Ticket #7561: pdb_00017fgz-extended_PDB_CCD_codes-model.cif

File pdb_00017fgz-extended_PDB_CCD_codes-model.cif, 280.5 KB (added by Eric Pettersen, 3 years ago)
Line 
1data_PDB_00017FGZ
2#
3_entry.id PDB_00017FGZ
4#
5_audit_conform.dict_name mmcif_pdbx.dic
6_audit_conform.dict_version 5.359
7_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
8#
9loop_
10_database_2.database_id
11_database_2.database_code
12_database_2.pdbx_database_accession
13_database_2.pdbx_DOI
14PDB PDB_00017FGZ pdb_00017fgz 10.2210/pdb_00017fgz/pdb
15WWPDB D_1300023579 ? ?
16#
17_pdbx_database_status.status_code REL
18_pdbx_database_status.status_code_sf REL
19_pdbx_database_status.status_code_mr ?
20_pdbx_database_status.entry_id PDB_00017FGZ
21_pdbx_database_status.recvd_initial_deposition_date 2021-07-28
22_pdbx_database_status.SG_entry N
23_pdbx_database_status.deposit_site PDBJ
24_pdbx_database_status.process_site PDBJ
25_pdbx_database_status.status_code_cs ?
26_pdbx_database_status.status_code_nmr_data ?
27_pdbx_database_status.methods_development_category ?
28_pdbx_database_status.pdb_format_compatible Y
29#
30_audit_author.name 'Yang, J.'
31_audit_author.pdbx_ordinal 1
32_audit_author.identifier_ORCID ?
33#
34_citation.abstract ?
35_citation.abstract_id_CAS ?
36_citation.book_id_ISBN ?
37_citation.book_publisher ?
38_citation.book_publisher_city ?
39_citation.book_title ?
40_citation.coordinate_linkage ?
41_citation.country ?
42_citation.database_id_Medline ?
43_citation.details ?
44_citation.id primary
45_citation.journal_abbrev 'To Be Published'
46_citation.journal_id_ASTM ?
47_citation.journal_id_CSD 0353
48_citation.journal_id_ISSN ?
49_citation.journal_full ?
50_citation.journal_issue ?
51_citation.journal_volume ?
52_citation.language ?
53_citation.page_first ?
54_citation.page_last ?
55_citation.title 'Marine bacterial GH16 hydrolase'
56_citation.year ?
57_citation.database_id_CSD ?
58_citation.pdbx_database_id_DOI ?
59_citation.pdbx_database_id_PubMed ?
60_citation.pdbx_database_id_patent ?
61_citation.unpublished_flag ?
62#
63_citation_author.citation_id primary
64_citation_author.name 'Yang, J.'
65_citation_author.ordinal 1
66_citation_author.identifier_ORCID ?
67#
68_cell.angle_alpha 90.000
69_cell.angle_alpha_esd ?
70_cell.angle_beta 90.000
71_cell.angle_beta_esd ?
72_cell.angle_gamma 90.000
73_cell.angle_gamma_esd ?
74_cell.entry_id PDB_00017FGZ
75_cell.details ?
76_cell.formula_units_Z ?
77_cell.length_a 40.449
78_cell.length_a_esd ?
79_cell.length_b 77.293
80_cell.length_b_esd ?
81_cell.length_c 82.366
82_cell.length_c_esd ?
83_cell.volume ?
84_cell.volume_esd ?
85_cell.Z_PDB 4
86_cell.reciprocal_angle_alpha ?
87_cell.reciprocal_angle_beta ?
88_cell.reciprocal_angle_gamma ?
89_cell.reciprocal_angle_alpha_esd ?
90_cell.reciprocal_angle_beta_esd ?
91_cell.reciprocal_angle_gamma_esd ?
92_cell.reciprocal_length_a ?
93_cell.reciprocal_length_b ?
94_cell.reciprocal_length_c ?
95_cell.reciprocal_length_a_esd ?
96_cell.reciprocal_length_b_esd ?
97_cell.reciprocal_length_c_esd ?
98_cell.pdbx_unique_axis ?
99#
100_symmetry.entry_id PDB_00017FGZ
101_symmetry.cell_setting ?
102_symmetry.Int_Tables_number 18
103_symmetry.space_group_name_Hall ?
104_symmetry.space_group_name_H-M 'P 2 21 21'
105_symmetry.pdbx_full_space_group_name_H-M ?
106#
107loop_
108_entity.id
109_entity.type
110_entity.src_method
111_entity.pdbx_description
112_entity.formula_weight
113_entity.pdbx_number_of_molecules
114_entity.pdbx_ec
115_entity.pdbx_mutation
116_entity.pdbx_fragment
117_entity.details
1181 polymer man 'GH16 hydrolase' 31633.738 1 ? ? ? ?
1192 non-polymer syn 'CALCIUM ION' 40.078 1 ? ? ? ?
1203 non-polymer syn '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' 238.305 2 ? ? ? ?
1214 water nat water 18.015 178 ? ? ? ?
122#
123_entity_poly.entity_id 1
124_entity_poly.type 'polypeptide(L)'
125_entity_poly.nstd_linkage no
126_entity_poly.nstd_monomer no
127_entity_poly.pdbx_seq_one_letter_code
128;MQEKYKDVLLPKELTQIGDWKVDKNLSDDFNYTTKNKKFFKKWKDSYTNDWTGPGLSHFSSNHSILKDGNLEIKAERKPP
129NKVYCGVISSRKEVIYPAYMEIKMKISGLKLSSNFWFISKDQVLEIDVNETYGNEPDRSKKMGTNYHIFQRTPFKDLTPN
130NGKHYTAKGAPFLKDQFHRFGCHWKDAYHADFYLDGTLVRQLTIEDPRTSGVGFNQGLLMVIDTEDHDWRSKKGITPTDD
131ELLDETINTMYVDWVRVYKPKLDHHHHHH
132;
133_entity_poly.pdbx_seq_one_letter_code_can
134;MQEKYKDVLLPKELTQIGDWKVDKNLSDDFNYTTKNKKFFKKWKDSYTNDWTGPGLSHFSSNHSILKDGNLEIKAERKPP
135NKVYCGVISSRKEVIYPAYMEIKMKISGLKLSSNFWFISKDQVLEIDVNETYGNEPDRSKKMGTNYHIFQRTPFKDLTPN
136NGKHYTAKGAPFLKDQFHRFGCHWKDAYHADFYLDGTLVRQLTIEDPRTSGVGFNQGLLMVIDTEDHDWRSKKGITPTDD
137ELLDETINTMYVDWVRVYKPKLDHHHHHH
138;
139_entity_poly.pdbx_strand_id A
140_entity_poly.pdbx_target_identifier ?
141#
142loop_
143_entity_poly_seq.entity_id
144_entity_poly_seq.num
145_entity_poly_seq.mon_id
146_entity_poly_seq.hetero
1471 1 MET n
1481 2 GLN n
1491 3 GLU n
1501 4 LYS n
1511 5 TYR n
1521 6 LYS n
1531 7 ASP n
1541 8 VAL n
1551 9 LEU n
1561 10 LEU n
1571 11 PRO n
1581 12 LYS n
1591 13 GLU n
1601 14 LEU n
1611 15 THR n
1621 16 GLN n
1631 17 ILE n
1641 18 GLY n
1651 19 ASP n
1661 20 TRP n
1671 21 LYS n
1681 22 VAL n
1691 23 ASP n
1701 24 LYS n
1711 25 ASN n
1721 26 LEU n
1731 27 SER n
1741 28 ASP n
1751 29 ASP n
1761 30 PHE n
1771 31 ASN n
1781 32 TYR n
1791 33 THR n
1801 34 THR n
1811 35 LYS n
1821 36 ASN n
1831 37 LYS n
1841 38 LYS n
1851 39 PHE n
1861 40 PHE n
1871 41 LYS n
1881 42 LYS n
1891 43 TRP n
1901 44 LYS n
1911 45 ASP n
1921 46 SER n
1931 47 TYR n
1941 48 THR n
1951 49 ASN n
1961 50 ASP n
1971 51 TRP n
1981 52 THR n
1991 53 GLY n
2001 54 PRO n
2011 55 GLY n
2021 56 LEU n
2031 57 SER n
2041 58 HIS n
2051 59 PHE n
2061 60 SER n
2071 61 SER n
2081 62 ASN n
2091 63 HIS n
2101 64 SER n
2111 65 ILE n
2121 66 LEU n
2131 67 LYS n
2141 68 ASP n
2151 69 GLY n
2161 70 ASN n
2171 71 LEU n
2181 72 GLU n
2191 73 ILE n
2201 74 LYS n
2211 75 ALA n
2221 76 GLU n
2231 77 ARG n
2241 78 LYS n
2251 79 PRO n
2261 80 PRO n
2271 81 ASN n
2281 82 LYS n
2291 83 VAL n
2301 84 TYR n
2311 85 CYS n
2321 86 GLY n
2331 87 VAL n
2341 88 ILE n
2351 89 SER n
2361 90 SER n
2371 91 ARG n
2381 92 LYS n
2391 93 GLU n
2401 94 VAL n
2411 95 ILE n
2421 96 TYR n
2431 97 PRO n
2441 98 ALA n
2451 99 TYR n
2461 100 MET n
2471 101 GLU n
2481 102 ILE n
2491 103 LYS n
2501 104 MET n
2511 105 LYS n
2521 106 ILE n
2531 107 SER n
2541 108 GLY n
2551 109 LEU n
2561 110 LYS n
2571 111 LEU n
2581 112 SER n
2591 113 SER n
2601 114 ASN n
2611 115 PHE n
2621 116 TRP n
2631 117 PHE n
2641 118 ILE n
2651 119 SER n
2661 120 LYS n
2671 121 ASP n
2681 122 GLN n
2691 123 VAL n
2701 124 LEU n
2711 125 GLU n
2721 126 ILE n
2731 127 ASP n
2741 128 VAL n
2751 129 ASN n
2761 130 GLU n
2771 131 THR n
2781 132 TYR n
2791 133 GLY n
2801 134 ASN n
2811 135 GLU n
2821 136 PRO n
2831 137 ASP n
2841 138 ARG n
2851 139 SER n
2861 140 LYS n
2871 141 LYS n
2881 142 MET n
2891 143 GLY n
2901 144 THR n
2911 145 ASN n
2921 146 TYR n
2931 147 HIS n
2941 148 ILE n
2951 149 PHE n
2961 150 GLN n
2971 151 ARG n
2981 152 THR n
2991 153 PRO n
3001 154 PHE n
3011 155 LYS n
3021 156 ASP n
3031 157 LEU n
3041 158 THR n
3051 159 PRO n
3061 160 ASN n
3071 161 ASN n
3081 162 GLY n
3091 163 LYS n
3101 164 HIS n
3111 165 TYR n
3121 166 THR n
3131 167 ALA n
3141 168 LYS n
3151 169 GLY n
3161 170 ALA n
3171 171 PRO n
3181 172 PHE n
3191 173 LEU n
3201 174 LYS n
3211 175 ASP n
3221 176 GLN n
3231 177 PHE n
3241 178 HIS n
3251 179 ARG n
3261 180 PHE n
3271 181 GLY n
3281 182 CYS n
3291 183 HIS n
3301 184 TRP n
3311 185 LYS n
3321 186 ASP n
3331 187 ALA n
3341 188 TYR n
3351 189 HIS n
3361 190 ALA n
3371 191 ASP n
3381 192 PHE n
3391 193 TYR n
3401 194 LEU n
3411 195 ASP n
3421 196 GLY n
3431 197 THR n
3441 198 LEU n
3451 199 VAL n
3461 200 ARG n
3471 201 GLN n
3481 202 LEU n
3491 203 THR n
3501 204 ILE n
3511 205 GLU n
3521 206 ASP n
3531 207 PRO n
3541 208 ARG n
3551 209 THR n
3561 210 SER n
3571 211 GLY n
3581 212 VAL n
3591 213 GLY n
3601 214 PHE n
3611 215 ASN n
3621 216 GLN n
3631 217 GLY n
3641 218 LEU n
3651 219 LEU n
3661 220 MET n
3671 221 VAL n
3681 222 ILE n
3691 223 ASP n
3701 224 THR n
3711 225 GLU n
3721 226 ASP n
3731 227 HIS n
3741 228 ASP n
3751 229 TRP n
3761 230 ARG n
3771 231 SER n
3781 232 LYS n
3791 233 LYS n
3801 234 GLY n
3811 235 ILE n
3821 236 THR n
3831 237 PRO n
3841 238 THR n
3851 239 ASP n
3861 240 ASP n
3871 241 GLU n
3881 242 LEU n
3891 243 LEU n
3901 244 ASP n
3911 245 GLU n
3921 246 THR n
3931 247 ILE n
3941 248 ASN n
3951 249 THR n
3961 250 MET n
3971 251 TYR n
3981 252 VAL n
3991 253 ASP n
4001 254 TRP n
4011 255 VAL n
4021 256 ARG n
4031 257 VAL n
4041 258 TYR n
4051 259 LYS n
4061 260 PRO n
4071 261 LYS n
4081 262 LEU n
4091 263 ASP n
4101 264 HIS n
4111 265 HIS n
4121 266 HIS n
4131 267 HIS n
4141 268 HIS n
4151 269 HIS n
416#
417_entity_src_gen.entity_id 1
418_entity_src_gen.pdbx_src_id 1
419_entity_src_gen.pdbx_alt_source_flag sample
420_entity_src_gen.pdbx_seq_type 'Biological sequence'
421_entity_src_gen.pdbx_beg_seq_num 1
422_entity_src_gen.pdbx_end_seq_num 269
423_entity_src_gen.gene_src_common_name ?
424_entity_src_gen.gene_src_genus ?
425_entity_src_gen.pdbx_gene_src_gene ?
426_entity_src_gen.gene_src_species ?
427_entity_src_gen.gene_src_strain ?
428_entity_src_gen.gene_src_tissue ?
429_entity_src_gen.gene_src_tissue_fraction ?
430_entity_src_gen.gene_src_details ?
431_entity_src_gen.pdbx_gene_src_fragment ?
432_entity_src_gen.pdbx_gene_src_scientific_name 'Aquimarina sp.'
433_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 1872586
434_entity_src_gen.pdbx_gene_src_variant ?
435_entity_src_gen.pdbx_gene_src_cell_line ?
436_entity_src_gen.pdbx_gene_src_atcc ?
437_entity_src_gen.pdbx_gene_src_organ ?
438_entity_src_gen.pdbx_gene_src_organelle ?
439_entity_src_gen.pdbx_gene_src_cell ?
440_entity_src_gen.pdbx_gene_src_cellular_location ?
441_entity_src_gen.host_org_common_name ?
442_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli BL21(DE3)'
443_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 469008
444_entity_src_gen.host_org_genus ?
445_entity_src_gen.pdbx_host_org_gene ?
446_entity_src_gen.pdbx_host_org_organ ?
447_entity_src_gen.host_org_species ?
448_entity_src_gen.pdbx_host_org_tissue ?
449_entity_src_gen.pdbx_host_org_tissue_fraction ?
450_entity_src_gen.pdbx_host_org_strain ?
451_entity_src_gen.pdbx_host_org_variant ?
452_entity_src_gen.pdbx_host_org_cell_line ?
453_entity_src_gen.pdbx_host_org_atcc ?
454_entity_src_gen.pdbx_host_org_culture_collection ?
455_entity_src_gen.pdbx_host_org_cell ?
456_entity_src_gen.pdbx_host_org_organelle ?
457_entity_src_gen.pdbx_host_org_cellular_location ?
458_entity_src_gen.pdbx_host_org_vector_type ?
459_entity_src_gen.pdbx_host_org_vector ?
460_entity_src_gen.host_org_details ?
461_entity_src_gen.expression_system_id ?
462_entity_src_gen.plasmid_name ?
463_entity_src_gen.plasmid_details ?
464_entity_src_gen.pdbx_description ?
465#
466_struct_ref.id 1
467_struct_ref.db_name PDB
468_struct_ref.db_code PDB_00017FGZ
469_struct_ref.pdbx_db_accession PDB_00017FGZ
470_struct_ref.pdbx_db_isoform ?
471_struct_ref.entity_id 1
472_struct_ref.pdbx_seq_one_letter_code ?
473_struct_ref.pdbx_align_begin 1
474#
475_struct_ref_seq.align_id 1
476_struct_ref_seq.ref_id 1
477_struct_ref_seq.pdbx_PDB_id_code PDB_00017FGZ
478_struct_ref_seq.pdbx_strand_id A
479_struct_ref_seq.seq_align_beg 1
480_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
481_struct_ref_seq.seq_align_end 269
482_struct_ref_seq.pdbx_seq_align_end_ins_code ?
483_struct_ref_seq.pdbx_db_accession PDB_00017FGZ
484_struct_ref_seq.db_align_beg 19
485_struct_ref_seq.pdbx_db_align_beg_ins_code ?
486_struct_ref_seq.db_align_end 287
487_struct_ref_seq.pdbx_db_align_end_ins_code ?
488_struct_ref_seq.pdbx_auth_seq_align_beg 19
489_struct_ref_seq.pdbx_auth_seq_align_end 287
490#
491loop_
492_chem_comp.id
493_chem_comp.type
494_chem_comp.mon_nstd_flag
495_chem_comp.name
496_chem_comp.pdbx_synonyms
497_chem_comp.formula
498_chem_comp.formula_weight
499ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093
500ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209
501ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118
502ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103
503CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078
504CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158
505EPE01 non-polymer . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' HEPES 'C8 H18 N2 O4 S' 238.305
506GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144
507GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129
508GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067
509HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162
510HOH non-polymer . WATER ? 'H2 O' 18.015
511ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173
512LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173
513LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195
514MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211
515PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189
516PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130
517SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093
518THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119
519TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225
520TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189
521VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146
522#
523_exptl.absorpt_coefficient_mu ?
524_exptl.absorpt_correction_T_max ?
525_exptl.absorpt_correction_T_min ?
526_exptl.absorpt_correction_type ?
527_exptl.absorpt_process_details ?
528_exptl.entry_id PDB_00017FGZ
529_exptl.crystals_number 1
530_exptl.details ?
531_exptl.method 'X-RAY DIFFRACTION'
532_exptl.method_details ?
533#
534_exptl_crystal.colour ?
535_exptl_crystal.density_diffrn ?
536_exptl_crystal.density_Matthews 2.04
537_exptl_crystal.density_method ?
538_exptl_crystal.density_percent_sol 39.56
539_exptl_crystal.description ?
540_exptl_crystal.F_000 ?
541_exptl_crystal.id 1
542_exptl_crystal.preparation ?
543_exptl_crystal.size_max ?
544_exptl_crystal.size_mid ?
545_exptl_crystal.size_min ?
546_exptl_crystal.size_rad ?
547_exptl_crystal.colour_lustre ?
548_exptl_crystal.colour_modifier ?
549_exptl_crystal.colour_primary ?
550_exptl_crystal.density_meas ?
551_exptl_crystal.density_meas_esd ?
552_exptl_crystal.density_meas_gt ?
553_exptl_crystal.density_meas_lt ?
554_exptl_crystal.density_meas_temp ?
555_exptl_crystal.density_meas_temp_esd ?
556_exptl_crystal.density_meas_temp_gt ?
557_exptl_crystal.density_meas_temp_lt ?
558_exptl_crystal.pdbx_crystal_image_url ?
559_exptl_crystal.pdbx_crystal_image_format ?
560_exptl_crystal.pdbx_mosaicity ?
561_exptl_crystal.pdbx_mosaicity_esd ?
562#
563_exptl_crystal_grow.apparatus ?
564_exptl_crystal_grow.atmosphere ?
565_exptl_crystal_grow.crystal_id 1
566_exptl_crystal_grow.details ?
567_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP'
568_exptl_crystal_grow.method_ref ?
569_exptl_crystal_grow.pH ?
570_exptl_crystal_grow.pressure ?
571_exptl_crystal_grow.pressure_esd ?
572_exptl_crystal_grow.seeding ?
573_exptl_crystal_grow.seeding_ref ?
574_exptl_crystal_grow.temp 293
575_exptl_crystal_grow.temp_details ?
576_exptl_crystal_grow.temp_esd ?
577_exptl_crystal_grow.time ?
578_exptl_crystal_grow.pdbx_details '100mM HEPS (pH7.5), 20% PEGMME 500, 10% PEG 20000'
579_exptl_crystal_grow.pdbx_pH_range ?
580#
581_diffrn.ambient_environment ?
582_diffrn.ambient_temp 100
583_diffrn.ambient_temp_details ?
584_diffrn.ambient_temp_esd ?
585_diffrn.crystal_id 1
586_diffrn.crystal_support ?
587_diffrn.crystal_treatment ?
588_diffrn.details ?
589_diffrn.id 1
590_diffrn.ambient_pressure ?
591_diffrn.ambient_pressure_esd ?
592_diffrn.ambient_pressure_gt ?
593_diffrn.ambient_pressure_lt ?
594_diffrn.ambient_temp_gt ?
595_diffrn.ambient_temp_lt ?
596_diffrn.pdbx_serial_crystal_experiment N
597#
598_diffrn_detector.details ?
599_diffrn_detector.detector PIXEL
600_diffrn_detector.diffrn_id 1
601_diffrn_detector.type 'DECTRIS PILATUS3 R 200K-A'
602_diffrn_detector.area_resol_mean ?
603_diffrn_detector.dtime ?
604_diffrn_detector.pdbx_frames_total ?
605_diffrn_detector.pdbx_collection_time_total ?
606_diffrn_detector.pdbx_collection_date 2020-08-24
607_diffrn_detector.pdbx_frequency ?
608#
609_diffrn_radiation.collimation ?
610_diffrn_radiation.diffrn_id 1
611_diffrn_radiation.filter_edge ?
612_diffrn_radiation.inhomogeneity ?
613_diffrn_radiation.monochromator graphite
614_diffrn_radiation.polarisn_norm ?
615_diffrn_radiation.polarisn_ratio ?
616_diffrn_radiation.probe ?
617_diffrn_radiation.type ?
618_diffrn_radiation.xray_symbol ?
619_diffrn_radiation.wavelength_id 1
620_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
621_diffrn_radiation.pdbx_wavelength_list ?
622_diffrn_radiation.pdbx_wavelength ?
623_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
624_diffrn_radiation.pdbx_analyzer ?
625_diffrn_radiation.pdbx_scattering_type x-ray
626#
627_diffrn_radiation_wavelength.id 1
628_diffrn_radiation_wavelength.wavelength 1.54184
629_diffrn_radiation_wavelength.wt 1.0
630#
631_diffrn_source.current ?
632_diffrn_source.details ?
633_diffrn_source.diffrn_id 1
634_diffrn_source.power ?
635_diffrn_source.size ?
636_diffrn_source.source 'ROTATING ANODE'
637_diffrn_source.target ?
638_diffrn_source.type 'RIGAKU MICROMAX-007'
639_diffrn_source.voltage ?
640_diffrn_source.take-off_angle ?
641_diffrn_source.pdbx_wavelength_list 1.54184
642_diffrn_source.pdbx_wavelength ?
643_diffrn_source.pdbx_synchrotron_beamline ?
644_diffrn_source.pdbx_synchrotron_site ?
645#
646_reflns.B_iso_Wilson_estimate ?
647_reflns.entry_id PDB_00017FGZ
648_reflns.data_reduction_details ?
649_reflns.data_reduction_method ?
650_reflns.d_resolution_high 2.200
651_reflns.d_resolution_low 19.330
652_reflns.details ?
653_reflns.limit_h_max ?
654_reflns.limit_h_min ?
655_reflns.limit_k_max ?
656_reflns.limit_k_min ?
657_reflns.limit_l_max ?
658_reflns.limit_l_min ?
659_reflns.number_all ?
660_reflns.number_obs 13669
661_reflns.observed_criterion ?
662_reflns.observed_criterion_F_max ?
663_reflns.observed_criterion_F_min ?
664_reflns.observed_criterion_I_max ?
665_reflns.observed_criterion_I_min ?
666_reflns.observed_criterion_sigma_F ?
667_reflns.observed_criterion_sigma_I ?
668_reflns.percent_possible_obs 99.600
669_reflns.R_free_details ?
670_reflns.Rmerge_F_all ?
671_reflns.Rmerge_F_obs ?
672_reflns.Friedel_coverage ?
673_reflns.number_gt ?
674_reflns.threshold_expression ?
675_reflns.pdbx_redundancy 4.400
676_reflns.pdbx_Rmerge_I_obs 0.077
677_reflns.pdbx_Rmerge_I_all ?
678_reflns.pdbx_Rsym_value ?
679_reflns.pdbx_netI_over_av_sigmaI ?
680_reflns.pdbx_netI_over_sigmaI 13.800
681_reflns.pdbx_res_netI_over_av_sigmaI_2 ?
682_reflns.pdbx_res_netI_over_sigmaI_2 ?
683_reflns.pdbx_chi_squared ?
684_reflns.pdbx_scaling_rejects ?
685_reflns.pdbx_d_res_high_opt ?
686_reflns.pdbx_d_res_low_opt ?
687_reflns.pdbx_d_res_opt_method ?
688_reflns.phase_calculation_details ?
689_reflns.pdbx_Rrim_I_all 0.087
690_reflns.pdbx_Rpim_I_all 0.039
691_reflns.pdbx_d_opt ?
692_reflns.pdbx_number_measured_all ?
693_reflns.pdbx_diffrn_id 1
694_reflns.pdbx_ordinal 1
695_reflns.pdbx_CC_half 0.996
696_reflns.pdbx_CC_star ?
697_reflns.pdbx_R_split ?
698_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1] ?
699_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2] ?
700_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3] ?
701_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1] ?
702_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2] ?
703_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3] ?
704_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1] ?
705_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2] ?
706_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3] ?
707_reflns.pdbx_aniso_diffraction_limit_1 ?
708_reflns.pdbx_aniso_diffraction_limit_2 ?
709_reflns.pdbx_aniso_diffraction_limit_3 ?
710_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1] ?
711_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2] ?
712_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3] ?
713_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1] ?
714_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2] ?
715_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3] ?
716_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1] ?
717_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2] ?
718_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3] ?
719_reflns.pdbx_aniso_B_tensor_eigenvalue_1 ?
720_reflns.pdbx_aniso_B_tensor_eigenvalue_2 ?
721_reflns.pdbx_aniso_B_tensor_eigenvalue_3 ?
722_reflns.pdbx_orthogonalization_convention ?
723_reflns.pdbx_percent_possible_ellipsoidal ?
724_reflns.pdbx_percent_possible_spherical ?
725_reflns.pdbx_percent_possible_ellipsoidal_anomalous ?
726_reflns.pdbx_percent_possible_spherical_anomalous ?
727_reflns.pdbx_redundancy_anomalous ?
728_reflns.pdbx_CC_half_anomalous ?
729_reflns.pdbx_absDiff_over_sigma_anomalous ?
730_reflns.pdbx_percent_possible_anomalous ?
731_reflns.pdbx_observed_signal_threshold ?
732_reflns.pdbx_signal_type ?
733_reflns.pdbx_signal_details ?
734_reflns.pdbx_signal_software_id ?
735#
736loop_
737_reflns_shell.d_res_high
738_reflns_shell.d_res_low
739_reflns_shell.meanI_over_sigI_all
740_reflns_shell.meanI_over_sigI_obs
741_reflns_shell.number_measured_all
742_reflns_shell.number_measured_obs
743_reflns_shell.number_possible
744_reflns_shell.number_unique_all
745_reflns_shell.number_unique_obs
746_reflns_shell.percent_possible_all
747_reflns_shell.percent_possible_obs
748_reflns_shell.Rmerge_F_all
749_reflns_shell.Rmerge_F_obs
750_reflns_shell.Rmerge_I_all
751_reflns_shell.Rmerge_I_obs
752_reflns_shell.meanI_over_sigI_gt
753_reflns_shell.meanI_over_uI_all
754_reflns_shell.meanI_over_uI_gt
755_reflns_shell.number_measured_gt
756_reflns_shell.number_unique_gt
757_reflns_shell.percent_possible_gt
758_reflns_shell.Rmerge_F_gt
759_reflns_shell.Rmerge_I_gt
760_reflns_shell.pdbx_redundancy
761_reflns_shell.pdbx_Rsym_value
762_reflns_shell.pdbx_chi_squared
763_reflns_shell.pdbx_netI_over_sigmaI_all
764_reflns_shell.pdbx_netI_over_sigmaI_obs
765_reflns_shell.pdbx_Rrim_I_all
766_reflns_shell.pdbx_Rpim_I_all
767_reflns_shell.pdbx_rejects
768_reflns_shell.pdbx_ordinal
769_reflns_shell.pdbx_diffrn_id
770_reflns_shell.pdbx_CC_half
771_reflns_shell.pdbx_CC_star
772_reflns_shell.pdbx_R_split
773_reflns_shell.pdbx_percent_possible_ellipsoidal
774_reflns_shell.pdbx_percent_possible_spherical
775_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous
776_reflns_shell.pdbx_percent_possible_spherical_anomalous
777_reflns_shell.pdbx_redundancy_anomalous
778_reflns_shell.pdbx_CC_half_anomalous
779_reflns_shell.pdbx_absDiff_over_sigma_anomalous
780_reflns_shell.pdbx_percent_possible_anomalous
7812.200 2.270 ? ? 3025 ? ? ? 1247 98.200 ? ? ? ? 0.236 ? ? ? ? ? ? ? ? 2.400 ? ? ? 3.700 0.303 0.187 ? 1 1 0.865 ? ? ? ? ? ? ? ? ?
782?
7838.800 19.320 ? ? 1002 ? ? ? 236 90.900 ? ? ? ? 0.033 ? ? ? ? ? ? ? ? 4.200 ? ? ? 26.900 0.037 0.017 ? 2 1 0.998 ? ? ? ? ? ? ? ? ?
784?
785#
786_refine.aniso_B[1][1] -1.1700
787_refine.aniso_B[1][2] -0.0000
788_refine.aniso_B[1][3] -0.0000
789_refine.aniso_B[2][2] -1.1600
790_refine.aniso_B[2][3] 0.0000
791_refine.aniso_B[3][3] 2.3300
792_refine.B_iso_max 83.780
793_refine.B_iso_mean 18.5850
794_refine.B_iso_min 5.150
795_refine.correlation_coeff_Fo_to_Fc 0.9520
796_refine.correlation_coeff_Fo_to_Fc_free 0.9210
797_refine.details
798'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY'
799_refine.diff_density_max ?
800_refine.diff_density_max_esd ?
801_refine.diff_density_min ?
802_refine.diff_density_min_esd ?
803_refine.diff_density_rms ?
804_refine.diff_density_rms_esd ?
805_refine.entry_id PDB_00017FGZ
806_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
807_refine.ls_abs_structure_details ?
808_refine.ls_abs_structure_Flack ?
809_refine.ls_abs_structure_Flack_esd ?
810_refine.ls_abs_structure_Rogers ?
811_refine.ls_abs_structure_Rogers_esd ?
812_refine.ls_d_res_high 2.2000
813_refine.ls_d_res_low 19.3200
814_refine.ls_extinction_coef ?
815_refine.ls_extinction_coef_esd ?
816_refine.ls_extinction_expression ?
817_refine.ls_extinction_method ?
818_refine.ls_goodness_of_fit_all ?
819_refine.ls_goodness_of_fit_all_esd ?
820_refine.ls_goodness_of_fit_obs ?
821_refine.ls_goodness_of_fit_obs_esd ?
822_refine.ls_hydrogen_treatment ?
823_refine.ls_matrix_type ?
824_refine.ls_number_constraints ?
825_refine.ls_number_parameters ?
826_refine.ls_number_reflns_all ?
827_refine.ls_number_reflns_obs 12936
828_refine.ls_number_reflns_R_free 698
829_refine.ls_number_reflns_R_work ?
830_refine.ls_number_restraints ?
831_refine.ls_percent_reflns_obs 99.4300
832_refine.ls_percent_reflns_R_free 5.1000
833_refine.ls_R_factor_all ?
834_refine.ls_R_factor_obs 0.1640
835_refine.ls_R_factor_R_free 0.2089
836_refine.ls_R_factor_R_free_error ?
837_refine.ls_R_factor_R_free_error_details ?
838_refine.ls_R_factor_R_work 0.1615
839_refine.ls_R_Fsqd_factor_obs ?
840_refine.ls_R_I_factor_obs ?
841_refine.ls_redundancy_reflns_all ?
842_refine.ls_redundancy_reflns_obs ?
843_refine.ls_restrained_S_all ?
844_refine.ls_restrained_S_obs ?
845_refine.ls_shift_over_esd_max ?
846_refine.ls_shift_over_esd_mean ?
847_refine.ls_structure_factor_coef ?
848_refine.ls_weighting_details ?
849_refine.ls_weighting_scheme ?
850_refine.ls_wR_factor_all ?
851_refine.ls_wR_factor_obs ?
852_refine.ls_wR_factor_R_free ?
853_refine.ls_wR_factor_R_work ?
854_refine.occupancy_max ?
855_refine.occupancy_min ?
856_refine.solvent_model_details MASK
857_refine.solvent_model_param_bsol ?
858_refine.solvent_model_param_ksol ?
859_refine.pdbx_R_complete ?
860_refine.ls_R_factor_gt ?
861_refine.ls_goodness_of_fit_gt ?
862_refine.ls_goodness_of_fit_ref ?
863_refine.ls_shift_over_su_max ?
864_refine.ls_shift_over_su_max_lt ?
865_refine.ls_shift_over_su_mean ?
866_refine.ls_shift_over_su_mean_lt ?
867_refine.pdbx_ls_sigma_I ?
868_refine.pdbx_ls_sigma_F 0.000
869_refine.pdbx_ls_sigma_Fsqd ?
870_refine.pdbx_data_cutoff_high_absF ?
871_refine.pdbx_data_cutoff_high_rms_absF ?
872_refine.pdbx_data_cutoff_low_absF ?
873_refine.pdbx_isotropic_thermal_model ?
874_refine.pdbx_ls_cross_valid_method THROUGHOUT
875_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT'
876_refine.pdbx_starting_model 3wz1
877_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD'
878_refine.pdbx_R_Free_selection_details RANDOM
879_refine.pdbx_stereochem_target_val_spec_case ?
880_refine.pdbx_overall_ESU_R 0.2970
881_refine.pdbx_overall_ESU_R_Free 0.2000
882_refine.pdbx_solvent_vdw_probe_radii 1.2000
883_refine.pdbx_solvent_ion_probe_radii 0.8000
884_refine.pdbx_solvent_shrinkage_radii 0.8000
885_refine.pdbx_real_space_R ?
886_refine.pdbx_density_correlation ?
887_refine.pdbx_pd_number_of_powder_patterns ?
888_refine.pdbx_pd_number_of_points ?
889_refine.pdbx_pd_meas_number_of_points ?
890_refine.pdbx_pd_proc_ls_prof_R_factor ?
891_refine.pdbx_pd_proc_ls_prof_wR_factor ?
892_refine.pdbx_pd_Marquardt_correlation_coeff ?
893_refine.pdbx_pd_Fsqrd_R_factor ?
894_refine.pdbx_pd_ls_matrix_band_width ?
895_refine.pdbx_overall_phase_error ?
896_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
897_refine.pdbx_overall_SU_R_free_Blow_DPI ?
898_refine.pdbx_overall_SU_R_Blow_DPI ?
899_refine.pdbx_TLS_residual_ADP_flag ?
900_refine.pdbx_diffrn_id 1
901_refine.overall_SU_B 5.6030
902_refine.overall_SU_ML 0.1400
903_refine.overall_SU_R_Cruickshank_DPI ?
904_refine.overall_SU_R_free ?
905_refine.overall_FOM_free_R_set ?
906_refine.overall_FOM_work_R_set ?
907_refine.pdbx_average_fsc_overall ?
908_refine.pdbx_average_fsc_work ?
909_refine.pdbx_average_fsc_free ?
910#
911_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
912_refine_hist.cycle_id final
913_refine_hist.details ?
914_refine_hist.d_res_high 2.2000
915_refine_hist.d_res_low 19.3200
916_refine_hist.number_atoms_solvent 178
917_refine_hist.number_atoms_total 2357
918_refine_hist.number_reflns_all ?
919_refine_hist.number_reflns_obs ?
920_refine_hist.number_reflns_R_free ?
921_refine_hist.number_reflns_R_work ?
922_refine_hist.R_factor_all ?
923_refine_hist.R_factor_obs ?
924_refine_hist.R_factor_R_free ?
925_refine_hist.R_factor_R_work ?
926_refine_hist.pdbx_number_residues_total 260
927_refine_hist.pdbx_B_iso_mean_ligand 45.56
928_refine_hist.pdbx_B_iso_mean_solvent 23.79
929_refine_hist.pdbx_number_atoms_protein 2148
930_refine_hist.pdbx_number_atoms_nucleic_acid 0
931_refine_hist.pdbx_number_atoms_ligand 31
932_refine_hist.pdbx_number_atoms_lipid ?
933_refine_hist.pdbx_number_atoms_carb ?
934_refine_hist.pdbx_pseudo_atom_details ?
935#
936loop_
937_refine_ls_restr.pdbx_refine_id
938_refine_ls_restr.criterion
939_refine_ls_restr.dev_ideal
940_refine_ls_restr.dev_ideal_target
941_refine_ls_restr.number
942_refine_ls_restr.rejects
943_refine_ls_restr.type
944_refine_ls_restr.weight
945_refine_ls_restr.pdbx_restraint_function
946'X-RAY DIFFRACTION' ? 0.009 0.013 2237 ? r_bond_refined_d ? ?
947'X-RAY DIFFRACTION' ? 0.001 0.017 2032 ? r_bond_other_d ? ?
948'X-RAY DIFFRACTION' ? 1.605 1.669 3021 ? r_angle_refined_deg ? ?
949'X-RAY DIFFRACTION' ? 1.284 1.617 4753 ? r_angle_other_deg ? ?
950'X-RAY DIFFRACTION' ? 9.489 5.000 259 ? r_dihedral_angle_1_deg ? ?
951'X-RAY DIFFRACTION' ? 34.111 23.475 118 ? r_dihedral_angle_2_deg ? ?
952'X-RAY DIFFRACTION' ? 14.946 15.000 400 ? r_dihedral_angle_3_deg ? ?
953'X-RAY DIFFRACTION' ? 21.466 15.000 9 ? r_dihedral_angle_4_deg ? ?
954'X-RAY DIFFRACTION' ? 0.081 0.200 282 ? r_chiral_restr ? ?
955'X-RAY DIFFRACTION' ? 0.007 0.020 2428 ? r_gen_planes_refined ? ?
956'X-RAY DIFFRACTION' ? 0.001 0.020 467 ? r_gen_planes_other ? ?
957#
958_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION'
959_refine_ls_shell.d_res_high 2.2000
960_refine_ls_shell.d_res_low 2.2570
961_refine_ls_shell.number_reflns_all 989
962_refine_ls_shell.number_reflns_obs ?
963_refine_ls_shell.number_reflns_R_free 51
964_refine_ls_shell.number_reflns_R_work 938
965_refine_ls_shell.percent_reflns_obs 97.6300
966_refine_ls_shell.percent_reflns_R_free ?
967_refine_ls_shell.R_factor_all ?
968_refine_ls_shell.R_factor_obs ?
969_refine_ls_shell.R_factor_R_free 0.2990
970_refine_ls_shell.R_factor_R_free_error 0.0000
971_refine_ls_shell.R_factor_R_work 0.2060
972_refine_ls_shell.redundancy_reflns_all ?
973_refine_ls_shell.redundancy_reflns_obs ?
974_refine_ls_shell.wR_factor_all ?
975_refine_ls_shell.wR_factor_obs ?
976_refine_ls_shell.wR_factor_R_free ?
977_refine_ls_shell.wR_factor_R_work ?
978_refine_ls_shell.pdbx_R_complete ?
979_refine_ls_shell.pdbx_total_number_of_bins_used 20
980_refine_ls_shell.pdbx_phase_error ?
981_refine_ls_shell.pdbx_fsc_work ?
982_refine_ls_shell.pdbx_fsc_free ?
983#
984_struct.entry_id PDB_00017FGZ
985_struct.title 'Marine bacterial GH16 hydrolase'
986_struct.pdbx_model_details ?
987_struct.pdbx_formula_weight ?
988_struct.pdbx_formula_weight_method ?
989_struct.pdbx_model_type_details ?
990_struct.pdbx_CASP_flag N
991#
992_struct_keywords.entry_id PDB_00017FGZ
993_struct_keywords.text 'Glycoside hydrolase, HYDROLASE'
994_struct_keywords.pdbx_keywords HYDROLASE
995#
996loop_
997_struct_asym.id
998_struct_asym.pdbx_blank_PDB_chainid_flag
999_struct_asym.pdbx_modified
1000_struct_asym.entity_id
1001_struct_asym.details
1002A N N 1 ?
1003B N N 2 ?
1004C N N 3 ?
1005D N N 3 ?
1006E N N 4 ?
1007#
1008loop_
1009_struct_conf.conf_type_id
1010_struct_conf.id
1011_struct_conf.pdbx_PDB_helix_id
1012_struct_conf.beg_label_comp_id
1013_struct_conf.beg_label_asym_id
1014_struct_conf.beg_label_seq_id
1015_struct_conf.pdbx_beg_PDB_ins_code
1016_struct_conf.end_label_comp_id
1017_struct_conf.end_label_asym_id
1018_struct_conf.end_label_seq_id
1019_struct_conf.pdbx_end_PDB_ins_code
1020_struct_conf.beg_auth_comp_id
1021_struct_conf.beg_auth_asym_id
1022_struct_conf.beg_auth_seq_id
1023_struct_conf.end_auth_comp_id
1024_struct_conf.end_auth_asym_id
1025_struct_conf.end_auth_seq_id
1026_struct_conf.pdbx_PDB_helix_class
1027_struct_conf.details
1028_struct_conf.pdbx_PDB_helix_length
1029HELX_P HELX_P1 AA1 LYS A 4 ? VAL A 8 ? LYS A 22 VAL A 26 5 ? 5
1030HELX_P HELX_P2 AA2 PRO A 11 ? GLN A 16 ? PRO A 29 GLN A 34 1 ? 6
1031HELX_P HELX_P3 AA3 LYS A 24 ? SER A 27 ? LYS A 42 SER A 45 5 ? 4
1032HELX_P HELX_P4 AA4 ASN A 36 ? LYS A 42 ? ASN A 54 LYS A 60 1 ? 7
1033HELX_P HELX_P5 AA5 ASP A 137 ? SER A 139 ? ASP A 155 SER A 157 5 ? 3
1034HELX_P HELX_P6 AA6 PHE A 172 ? GLN A 176 ? PHE A 190 GLN A 194 5 ? 5
1035HELX_P HELX_P7 AA7 HIS A 227 ? LYS A 232 ? HIS A 245 LYS A 250 1 ? 6
1036HELX_P HELX_P8 AA8 THR A 238 ? ASP A 244 ? THR A 256 ASP A 262 1 ? 7
1037#
1038_struct_conf_type.id HELX_P
1039_struct_conf_type.criteria ?
1040_struct_conf_type.reference ?
1041#
1042loop_
1043_struct_conn.id
1044_struct_conn.conn_type_id
1045_struct_conn.pdbx_leaving_atom_flag
1046_struct_conn.pdbx_PDB_id
1047_struct_conn.ptnr1_label_asym_id
1048_struct_conn.ptnr1_label_comp_id
1049_struct_conn.ptnr1_label_seq_id
1050_struct_conn.ptnr1_label_atom_id
1051_struct_conn.pdbx_ptnr1_label_alt_id
1052_struct_conn.pdbx_ptnr1_PDB_ins_code
1053_struct_conn.pdbx_ptnr1_standard_comp_id
1054_struct_conn.ptnr1_symmetry
1055_struct_conn.ptnr2_label_asym_id
1056_struct_conn.ptnr2_label_comp_id
1057_struct_conn.ptnr2_label_seq_id
1058_struct_conn.ptnr2_label_atom_id
1059_struct_conn.pdbx_ptnr2_label_alt_id
1060_struct_conn.pdbx_ptnr2_PDB_ins_code
1061_struct_conn.ptnr1_auth_asym_id
1062_struct_conn.ptnr1_auth_comp_id
1063_struct_conn.ptnr1_auth_seq_id
1064_struct_conn.ptnr2_auth_asym_id
1065_struct_conn.ptnr2_auth_comp_id
1066_struct_conn.ptnr2_auth_seq_id
1067_struct_conn.ptnr2_symmetry
1068_struct_conn.pdbx_ptnr3_label_atom_id
1069_struct_conn.pdbx_ptnr3_label_seq_id
1070_struct_conn.pdbx_ptnr3_label_comp_id
1071_struct_conn.pdbx_ptnr3_label_asym_id
1072_struct_conn.pdbx_ptnr3_label_alt_id
1073_struct_conn.pdbx_ptnr3_PDB_ins_code
1074_struct_conn.details
1075_struct_conn.pdbx_dist_value
1076_struct_conn.pdbx_value_order
1077_struct_conn.pdbx_role
1078metalc1 metalc ? ? A ASP 29 O ? ? ? 1_555 B CA . CA ? ? A ASP 47 A CA 301 1_555 ? ? ? ? ? ? ? 2.289 ? ?
1079metalc2 metalc ? ? A ASN 31 OD1 ? ? ? 1_555 B CA . CA ? ? A ASN 49 A CA 301 1_555 ? ? ? ? ? ? ? 2.398 ? ?
1080metalc3 metalc ? ? A GLY 69 O ? ? ? 1_555 B CA . CA ? ? A GLY 87 A CA 301 1_555 ? ? ? ? ? ? ? 2.312 ? ?
1081metalc4 metalc ? ? A ASP 253 O ? ? ? 1_555 B CA . CA ? ? A ASP 271 A CA 301 1_555 ? ? ? ? ? ? ? 2.377 ? ?
1082metalc5 metalc ? ? A ASP 253 OD1 ? ? ? 1_555 B CA . CA ? ? A ASP 271 A CA 301 1_555 ? ? ? ? ? ? ? 2.342 ? ?
1083metalc6 metalc ? ? B CA . CA ? ? ? 1_555 E HOH . O ? ? A CA 301 A HOH 431 1_555 ? ? ? ? ? ? ? 2.501 ? ?
1084metalc7 metalc ? ? B CA . CA ? ? ? 1_555 E HOH . O ? ? A CA 301 A HOH 489 1_555 ? ? ? ? ? ? ? 2.540 ? ?
1085#
1086_struct_conn_type.id metalc
1087_struct_conn_type.criteria ?
1088_struct_conn_type.reference ?
1089#
1090loop_
1091_struct_mon_prot_cis.pdbx_id
1092_struct_mon_prot_cis.label_comp_id
1093_struct_mon_prot_cis.label_seq_id
1094_struct_mon_prot_cis.label_asym_id
1095_struct_mon_prot_cis.label_alt_id
1096_struct_mon_prot_cis.pdbx_PDB_ins_code
1097_struct_mon_prot_cis.auth_comp_id
1098_struct_mon_prot_cis.auth_seq_id
1099_struct_mon_prot_cis.auth_asym_id
1100_struct_mon_prot_cis.pdbx_label_comp_id_2
1101_struct_mon_prot_cis.pdbx_label_seq_id_2
1102_struct_mon_prot_cis.pdbx_label_asym_id_2
1103_struct_mon_prot_cis.pdbx_PDB_ins_code_2
1104_struct_mon_prot_cis.pdbx_auth_comp_id_2
1105_struct_mon_prot_cis.pdbx_auth_seq_id_2
1106_struct_mon_prot_cis.pdbx_auth_asym_id_2
1107_struct_mon_prot_cis.pdbx_PDB_model_num
1108_struct_mon_prot_cis.pdbx_omega_angle
11091 PRO 79 A . ? PRO 97 A PRO 80 A ? PRO 98 A 1 7.60
11102 TYR 96 A . ? TYR 114 A PRO 97 A ? PRO 115 A 1 -8.67
1111#
1112loop_
1113_struct_sheet.id
1114_struct_sheet.type
1115_struct_sheet.number_strands
1116_struct_sheet.details
1117AA1 ? 4 ?
1118AA2 ? 6 ?
1119AA3 ? 7 ?
1120AA4 ? 7 ?
1121AA5 ? 3 ?
1122#
1123loop_
1124_struct_sheet_order.sheet_id
1125_struct_sheet_order.range_id_1
1126_struct_sheet_order.range_id_2
1127_struct_sheet_order.offset
1128_struct_sheet_order.sense
1129AA1 1 2 ? anti-parallel
1130AA1 2 3 ? anti-parallel
1131AA1 3 4 ? anti-parallel
1132AA2 1 2 ? anti-parallel
1133AA2 2 3 ? anti-parallel
1134AA2 3 4 ? anti-parallel
1135AA2 4 5 ? anti-parallel
1136AA2 5 6 ? anti-parallel
1137AA3 1 2 ? anti-parallel
1138AA3 2 3 ? anti-parallel
1139AA3 3 4 ? anti-parallel
1140AA3 4 5 ? anti-parallel
1141AA3 5 6 ? anti-parallel
1142AA3 6 7 ? anti-parallel
1143AA4 1 2 ? anti-parallel
1144AA4 2 3 ? anti-parallel
1145AA4 3 4 ? anti-parallel
1146AA4 4 5 ? anti-parallel
1147AA4 5 6 ? anti-parallel
1148AA4 6 7 ? anti-parallel
1149AA5 1 2 ? parallel
1150AA5 2 3 ? anti-parallel
1151#
1152loop_
1153_struct_sheet_range.sheet_id
1154_struct_sheet_range.id
1155_struct_sheet_range.beg_label_comp_id
1156_struct_sheet_range.beg_label_asym_id
1157_struct_sheet_range.beg_label_seq_id
1158_struct_sheet_range.pdbx_beg_PDB_ins_code
1159_struct_sheet_range.end_label_comp_id
1160_struct_sheet_range.end_label_asym_id
1161_struct_sheet_range.end_label_seq_id
1162_struct_sheet_range.pdbx_end_PDB_ins_code
1163_struct_sheet_range.beg_auth_comp_id
1164_struct_sheet_range.beg_auth_asym_id
1165_struct_sheet_range.beg_auth_seq_id
1166_struct_sheet_range.end_auth_comp_id
1167_struct_sheet_range.end_auth_asym_id
1168_struct_sheet_range.end_auth_seq_id
1169AA1 1 TRP A 20 ? VAL A 22 ? TRP A 38 VAL A 40
1170AA1 2 MET A 250 ? PRO A 260 ? MET A 268 PRO A 278
1171AA1 3 ASN A 70 ? ILE A 73 ? ASN A 88 ILE A 91
1172AA1 4 SER A 64 ? LYS A 67 ? SER A 82 LYS A 85
1173AA2 1 TRP A 20 ? VAL A 22 ? TRP A 38 VAL A 40
1174AA2 2 MET A 250 ? PRO A 260 ? MET A 268 PRO A 278
1175AA2 3 ALA A 98 ? LYS A 105 ? ALA A 116 LYS A 123
1176AA2 4 HIS A 178 ? TRP A 184 ? HIS A 196 TRP A 202
1177AA2 5 HIS A 189 ? LEU A 194 ? HIS A 207 LEU A 212
1178AA2 6 THR A 197 ? THR A 203 ? THR A 215 THR A 221
1179AA3 1 TRP A 43 ? LYS A 44 ? TRP A 61 LYS A 62
1180AA3 2 VAL A 87 ? SER A 90 ? VAL A 105 SER A 108
1181AA3 3 LEU A 219 ? GLU A 225 ? LEU A 237 GLU A 243
1182AA3 4 SER A 112 ? ILE A 118 ? SER A 130 ILE A 136
1183AA3 5 LEU A 124 ? TYR A 132 ? LEU A 142 TYR A 150
1184AA3 6 LYS A 141 ? GLN A 150 ? LYS A 159 GLN A 168
1185AA3 7 LYS A 155 ? ASP A 156 ? LYS A 173 ASP A 174
1186AA4 1 TRP A 43 ? LYS A 44 ? TRP A 61 LYS A 62
1187AA4 2 VAL A 87 ? SER A 90 ? VAL A 105 SER A 108
1188AA4 3 LEU A 219 ? GLU A 225 ? LEU A 237 GLU A 243
1189AA4 4 SER A 112 ? ILE A 118 ? SER A 130 ILE A 136
1190AA4 5 LEU A 124 ? TYR A 132 ? LEU A 142 TYR A 150
1191AA4 6 LYS A 141 ? GLN A 150 ? LYS A 159 GLN A 168
1192AA4 7 LYS A 163 ? THR A 166 ? LYS A 181 THR A 184
1193AA5 1 SER A 57 ? PHE A 59 ? SER A 75 PHE A 77
1194AA5 2 LYS A 82 ? CYS A 85 ? LYS A 100 CYS A 103
1195AA5 3 ALA A 75 ? LYS A 78 ? ALA A 93 LYS A 96
1196#
1197loop_
1198_pdbx_struct_sheet_hbond.sheet_id
1199_pdbx_struct_sheet_hbond.range_id_1
1200_pdbx_struct_sheet_hbond.range_id_2
1201_pdbx_struct_sheet_hbond.range_1_label_atom_id
1202_pdbx_struct_sheet_hbond.range_1_label_comp_id
1203_pdbx_struct_sheet_hbond.range_1_label_asym_id
1204_pdbx_struct_sheet_hbond.range_1_label_seq_id
1205_pdbx_struct_sheet_hbond.range_1_PDB_ins_code
1206_pdbx_struct_sheet_hbond.range_1_auth_atom_id
1207_pdbx_struct_sheet_hbond.range_1_auth_comp_id
1208_pdbx_struct_sheet_hbond.range_1_auth_asym_id
1209_pdbx_struct_sheet_hbond.range_1_auth_seq_id
1210_pdbx_struct_sheet_hbond.range_2_label_atom_id
1211_pdbx_struct_sheet_hbond.range_2_label_comp_id
1212_pdbx_struct_sheet_hbond.range_2_label_asym_id
1213_pdbx_struct_sheet_hbond.range_2_label_seq_id
1214_pdbx_struct_sheet_hbond.range_2_PDB_ins_code
1215_pdbx_struct_sheet_hbond.range_2_auth_atom_id
1216_pdbx_struct_sheet_hbond.range_2_auth_comp_id
1217_pdbx_struct_sheet_hbond.range_2_auth_asym_id
1218_pdbx_struct_sheet_hbond.range_2_auth_seq_id
1219AA1 1 2 N LYS A 21 ? N LYS A 39 O LYS A 259 ? O LYS A 277
1220AA1 2 3 O MET A 250 ? O MET A 268 N ILE A 73 ? N ILE A 91
1221AA1 3 4 O GLU A 72 ? O GLU A 90 N ILE A 65 ? N ILE A 83
1222AA2 1 2 N LYS A 21 ? N LYS A 39 O LYS A 259 ? O LYS A 277
1223AA2 2 3 O TRP A 254 ? O TRP A 272 N LYS A 103 ? N LYS A 121
1224AA2 3 4 N MET A 100 ? N MET A 118 O CYS A 182 ? O CYS A 200
1225AA2 4 5 N HIS A 183 ? N HIS A 201 O ASP A 191 ? O ASP A 209
1226AA2 5 6 N PHE A 192 ? N PHE A 210 O VAL A 199 ? O VAL A 217
1227AA3 1 2 N LYS A 44 ? N LYS A 62 O SER A 89 ? O SER A 107
1228AA3 2 3 N ILE A 88 ? N ILE A 106 O ILE A 222 ? O ILE A 240
1229AA3 3 4 O GLU A 225 ? O GLU A 243 N SER A 112 ? N SER A 130
1230AA3 4 5 N PHE A 115 ? N PHE A 133 O ASN A 129 ? O ASN A 147
1231AA3 5 6 N ASP A 127 ? N ASP A 145 O ASN A 145 ? O ASN A 163
1232AA3 6 7 N GLN A 150 ? N GLN A 168 O LYS A 155 ? O LYS A 173
1233AA4 1 2 N LYS A 44 ? N LYS A 62 O SER A 89 ? O SER A 107
1234AA4 2 3 N ILE A 88 ? N ILE A 106 O ILE A 222 ? O ILE A 240
1235AA4 3 4 O GLU A 225 ? O GLU A 243 N SER A 112 ? N SER A 130
1236AA4 4 5 N PHE A 115 ? N PHE A 133 O ASN A 129 ? O ASN A 147
1237AA4 5 6 N ASP A 127 ? N ASP A 145 O ASN A 145 ? O ASN A 163
1238AA4 6 7 N MET A 142 ? N MET A 160 O TYR A 165 ? O TYR A 183
1239AA5 1 2 N HIS A 58 ? N HIS A 76 O VAL A 83 ? O VAL A 101
1240AA5 2 3 O LYS A 82 ? O LYS A 100 N LYS A 78 ? N LYS A 96
1241#
1242_atom_sites.entry_id PDB_00017FGZ
1243_atom_sites.Cartn_transf_matrix[1][1] ?
1244_atom_sites.Cartn_transf_matrix[1][2] ?
1245_atom_sites.Cartn_transf_matrix[1][3] ?
1246_atom_sites.Cartn_transf_matrix[2][1] ?
1247_atom_sites.Cartn_transf_matrix[2][2] ?
1248_atom_sites.Cartn_transf_matrix[2][3] ?
1249_atom_sites.Cartn_transf_matrix[3][1] ?
1250_atom_sites.Cartn_transf_matrix[3][2] ?
1251_atom_sites.Cartn_transf_matrix[3][3] ?
1252_atom_sites.Cartn_transf_vector[1] ?
1253_atom_sites.Cartn_transf_vector[2] ?
1254_atom_sites.Cartn_transf_vector[3] ?
1255_atom_sites.fract_transf_matrix[1][1] 0.024722
1256_atom_sites.fract_transf_matrix[1][2] 0.000000
1257_atom_sites.fract_transf_matrix[1][3] 0.000000
1258_atom_sites.fract_transf_matrix[2][1] -0.000000
1259_atom_sites.fract_transf_matrix[2][2] 0.012938
1260_atom_sites.fract_transf_matrix[2][3] 0.000000
1261_atom_sites.fract_transf_matrix[3][1] 0.000000
1262_atom_sites.fract_transf_matrix[3][2] -0.000000
1263_atom_sites.fract_transf_matrix[3][3] 0.012141
1264_atom_sites.fract_transf_vector[1] 0.000000
1265_atom_sites.fract_transf_vector[2] 0.000000
1266_atom_sites.fract_transf_vector[3] 0.000000
1267_atom_sites.solution_primary ?
1268_atom_sites.solution_secondary ?
1269_atom_sites.solution_hydrogens ?
1270_atom_sites.special_details ?
1271#
1272loop_
1273_atom_type.symbol
1274C
1275CA
1276N
1277O
1278S
1279#
1280loop_
1281_atom_site.group_PDB
1282_atom_site.id
1283_atom_site.type_symbol
1284_atom_site.label_atom_id
1285_atom_site.label_alt_id
1286_atom_site.label_comp_id
1287_atom_site.label_asym_id
1288_atom_site.label_entity_id
1289_atom_site.label_seq_id
1290_atom_site.pdbx_PDB_ins_code
1291_atom_site.Cartn_x
1292_atom_site.Cartn_y
1293_atom_site.Cartn_z
1294_atom_site.occupancy
1295_atom_site.B_iso_or_equiv
1296_atom_site.pdbx_formal_charge
1297_atom_site.auth_seq_id
1298_atom_site.auth_comp_id
1299_atom_site.auth_asym_id
1300_atom_site.auth_atom_id
1301_atom_site.pdbx_PDB_model_num
1302ATOM 1 N N . GLN A 1 2 ? -18.082 -28.823 31.183 1.00 41.58 ? 20 GLN A N 1
1303ATOM 2 C CA . GLN A 1 2 ? -16.797 -29.432 30.761 1.00 41.21 ? 20 GLN A CA 1
1304ATOM 3 C C . GLN A 1 2 ? -15.657 -28.628 31.403 1.00 36.36 ? 20 GLN A C 1
1305ATOM 4 O O . GLN A 1 2 ? -15.371 -28.883 32.602 1.00 39.17 ? 20 GLN A O 1
1306ATOM 5 C CB . GLN A 1 2 ? -16.738 -29.502 29.228 1.00 45.88 ? 20 GLN A CB 1
1307ATOM 6 C CG . GLN A 1 2 ? -15.429 -30.044 28.665 1.00 47.68 ? 20 GLN A CG 1
1308ATOM 7 C CD . GLN A 1 2 ? -15.403 -31.546 28.708 1.00 48.94 ? 20 GLN A CD 1
1309ATOM 8 O OE1 . GLN A 1 2 ? -15.889 -32.166 29.651 1.00 54.22 ? 20 GLN A OE1 1
1310ATOM 9 N NE2 . GLN A 1 2 ? -14.858 -32.139 27.661 1.00 50.52 ? 20 GLN A NE2 1
1311ATOM 10 N N . GLU A 1 3 ? -15.065 -27.668 30.679 1.00 26.79 ? 21 GLU A N 1
1312ATOM 11 C CA . GLU A 1 3 ? -13.831 -26.971 31.128 1.00 23.75 ? 21 GLU A CA 1
1313ATOM 12 C C . GLU A 1 3 ? -14.126 -25.509 31.443 1.00 22.64 ? 21 GLU A C 1
1314ATOM 13 O O . GLU A 1 3 ? -14.839 -24.844 30.649 1.00 21.94 ? 21 GLU A O 1
1315ATOM 14 C CB . GLU A 1 3 ? -12.731 -27.027 30.070 1.00 22.74 ? 21 GLU A CB 1
1316ATOM 15 C CG . GLU A 1 3 ? -11.343 -26.705 30.613 1.00 20.39 ? 21 GLU A CG 1
1317ATOM 16 C CD . GLU A 1 3 ? -10.299 -26.696 29.516 1.00 18.53 ? 21 GLU A CD 1
1318ATOM 17 O OE1 . GLU A 1 3 ? -10.501 -25.953 28.534 1.00 15.13 ? 21 GLU A OE1 1
1319ATOM 18 O OE2 . GLU A 1 3 ? -9.307 -27.466 29.628 1.00 18.01 ? 21 GLU A OE2 1
1320ATOM 19 N N . LYS A 1 4 ? -13.547 -25.037 32.544 1.00 21.34 ? 22 LYS A N 1
1321ATOM 20 C CA . LYS A 1 4 ? -13.519 -23.614 32.948 1.00 21.90 ? 22 LYS A CA 1
1322ATOM 21 C C . LYS A 1 4 ? -12.102 -23.084 32.700 1.00 20.82 ? 22 LYS A C 1
1323ATOM 22 O O . LYS A 1 4 ? -11.132 -23.844 32.905 1.00 20.37 ? 22 LYS A O 1
1324ATOM 23 C CB . LYS A 1 4 ? -13.918 -23.495 34.420 1.00 23.68 ? 22 LYS A CB 1
1325ATOM 24 C CG . LYS A 1 4 ? -15.199 -24.213 34.799 1.00 24.65 ? 22 LYS A CG 1
1326ATOM 25 C CD . LYS A 1 4 ? -16.117 -23.372 35.621 1.00 27.98 ? 22 LYS A CD 1
1327ATOM 26 C CE . LYS A 1 4 ? -15.607 -23.144 37.025 1.00 31.52 ? 22 LYS A CE 1
1328ATOM 27 N NZ . LYS A 1 4 ? -15.329 -24.421 37.722 1.00 33.81 ? 22 LYS A NZ 1
1329ATOM 28 N N . TYR A 1 5 ? -11.962 -21.825 32.291 1.00 19.09 ? 23 TYR A N 1
1330ATOM 29 C CA . TYR A 1 5 ? -10.640 -21.255 31.933 1.00 17.23 ? 23 TYR A CA 1
1331ATOM 30 C C . TYR A 1 5 ? -9.714 -21.245 33.157 1.00 18.80 ? 23 TYR A C 1
1332ATOM 31 O O . TYR A 1 5 ? -8.512 -21.381 32.949 1.00 19.32 ? 23 TYR A O 1
1333ATOM 32 C CB . TYR A 1 5 ? -10.801 -19.895 31.259 1.00 15.73 ? 23 TYR A CB 1
1334ATOM 33 C CG . TYR A 1 5 ? -11.295 -18.792 32.153 1.00 14.88 ? 23 TYR A CG 1
1335ATOM 34 C CD1 . TYR A 1 5 ? -10.463 -18.184 33.077 1.00 14.83 ? 23 TYR A CD1 1
1336ATOM 35 C CD2 . TYR A 1 5 ? -12.603 -18.349 32.064 1.00 14.69 ? 23 TYR A CD2 1
1337ATOM 36 C CE1 . TYR A 1 5 ? -10.941 -17.205 33.935 1.00 15.03 ? 23 TYR A CE1 1
1338ATOM 37 C CE2 . TYR A 1 5 ? -13.070 -17.321 32.855 1.00 14.51 ? 23 TYR A CE2 1
1339ATOM 38 C CZ . TYR A 1 5 ? -12.247 -16.770 33.813 1.00 14.71 ? 23 TYR A CZ 1
1340ATOM 39 O OH . TYR A 1 5 ? -12.735 -15.772 34.599 1.00 16.75 ? 23 TYR A OH 1
1341ATOM 40 N N . LYS A 1 6 ? -10.231 -21.175 34.391 1.00 21.44 ? 24 LYS A N 1
1342ATOM 41 C CA . LYS A 1 6 ? -9.405 -21.039 35.630 1.00 23.16 ? 24 LYS A CA 1
1343ATOM 42 C C . LYS A 1 6 ? -8.598 -22.314 35.928 1.00 22.43 ? 24 LYS A C 1
1344ATOM 43 O O . LYS A 1 6 ? -7.585 -22.222 36.644 1.00 21.37 ? 24 LYS A O 1
1345ATOM 44 C CB . LYS A 1 6 ? -10.285 -20.666 36.831 1.00 26.79 ? 24 LYS A CB 1
1346ATOM 45 C CG . LYS A 1 6 ? -9.815 -19.407 37.541 1.00 29.20 ? 24 LYS A CG 1
1347ATOM 46 C CD . LYS A 1 6 ? -10.688 -18.975 38.687 1.00 32.90 ? 24 LYS A CD 1
1348ATOM 47 C CE . LYS A 1 6 ? -9.886 -18.297 39.781 1.00 34.91 ? 24 LYS A CE 1
1349ATOM 48 N NZ . LYS A 1 6 ? -10.736 -17.379 40.578 1.00 37.29 ? 24 LYS A NZ 1
1350ATOM 49 N N . ASP A 1 7 ? -9.015 -23.464 35.404 1.00 21.60 ? 25 ASP A N 1
1351ATOM 50 C CA . ASP A 1 7 ? -8.400 -24.772 35.722 1.00 21.32 ? 25 ASP A CA 1
1352ATOM 51 C C . ASP A 1 7 ? -7.240 -25.028 34.765 1.00 20.87 ? 25 ASP A C 1
1353ATOM 52 O O . ASP A 1 7 ? -6.428 -25.906 35.046 1.00 20.54 ? 25 ASP A O 1
1354ATOM 53 C CB . ASP A 1 7 ? -9.454 -25.870 35.652 1.00 22.78 ? 25 ASP A CB 1
1355ATOM 54 C CG . ASP A 1 7 ? -10.477 -25.748 36.765 1.00 24.33 ? 25 ASP A CG 1
1356ATOM 55 O OD1 . ASP A 1 7 ? -10.087 -25.279 37.871 1.00 26.97 ? 25 ASP A OD1 1
1357ATOM 56 O OD2 . ASP A 1 7 ? -11.627 -26.127 36.527 1.00 21.95 ? 25 ASP A OD2 1
1358ATOM 57 N N . VAL A 1 8 ? -7.135 -24.243 33.695 1.00 19.81 ? 26 VAL A N 1
1359ATOM 58 C CA . VAL A 1 8 ? -6.068 -24.441 32.675 1.00 17.89 ? 26 VAL A CA 1
1360ATOM 59 C C . VAL A 1 8 ? -4.814 -23.678 33.102 1.00 16.61 ? 26 VAL A C 1
1361ATOM 60 O O . VAL A 1 8 ? -4.885 -22.468 33.325 1.00 15.67 ? 26 VAL A O 1
1362ATOM 61 C CB . VAL A 1 8 ? -6.559 -24.035 31.288 1.00 16.71 ? 26 VAL A CB 1
1363ATOM 62 C CG1 . VAL A 1 8 ? -5.578 -24.478 30.222 1.00 16.66 ? 26 VAL A CG1 1
1364ATOM 63 C CG2 . VAL A 1 8 ? -7.955 -24.587 31.055 1.00 17.16 ? 26 VAL A CG2 1
1365ATOM 64 N N . LEU A 1 9 ? -3.706 -24.400 33.213 1.00 16.72 ? 27 LEU A N 1
1366ATOM 65 C CA . LEU A 1 9 ? -2.415 -23.871 33.687 1.00 17.95 ? 27 LEU A CA 1
1367ATOM 66 C C . LEU A 1 9 ? -1.927 -22.825 32.689 1.00 17.80 ? 27 LEU A C 1
1368ATOM 67 O O . LEU A 1 9 ? -2.204 -23.001 31.481 1.00 17.35 ? 27 LEU A O 1
1369ATOM 68 C CB . LEU A 1 9 ? -1.432 -25.033 33.802 1.00 19.79 ? 27 LEU A CB 1
1370ATOM 69 C CG . LEU A 1 9 ? -1.724 -26.027 34.927 1.00 21.43 ? 27 LEU A CG 1
1371ATOM 70 C CD1 . LEU A 1 9 ? -0.653 -27.107 34.977 1.00 22.40 ? 27 LEU A CD1 1
1372ATOM 71 C CD2 . LEU A 1 9 ? -1.854 -25.318 36.275 1.00 21.96 ? 27 LEU A CD2 1
1373ATOM 72 N N . LEU A 1 10 ? -1.191 -21.824 33.173 1.00 16.43 ? 28 LEU A N 1
1374ATOM 73 C CA . LEU A 1 10 ? -0.468 -20.879 32.298 1.00 18.55 ? 28 LEU A CA 1
1375ATOM 74 C C . LEU A 1 10 ? 0.806 -21.537 31.783 1.00 18.33 ? 28 LEU A C 1
1376ATOM 75 O O . LEU A 1 10 ? 1.338 -22.441 32.411 1.00 19.42 ? 28 LEU A O 1
1377ATOM 76 C CB . LEU A 1 10 ? -0.169 -19.599 33.082 1.00 19.48 ? 28 LEU A CB 1
1378ATOM 77 C CG . LEU A 1 10 ? -1.396 -18.783 33.469 1.00 19.67 ? 28 LEU A CG 1
1379ATOM 78 C CD1 . LEU A 1 10 ? -1.058 -17.823 34.592 1.00 21.03 ? 28 LEU A CD1 1
1380ATOM 79 C CD2 . LEU A 1 10 ? -1.955 -18.044 32.263 1.00 20.16 ? 28 LEU A CD2 1
1381ATOM 80 N N . PRO A 1 11 ? 1.327 -21.114 30.612 1.00 20.45 ? 29 PRO A N 1
1382ATOM 81 C CA . PRO A 1 11 ? 2.645 -21.549 30.148 1.00 20.95 ? 29 PRO A CA 1
1383ATOM 82 C C . PRO A 1 11 ? 3.732 -21.386 31.223 1.00 22.29 ? 29 PRO A C 1
1384ATOM 83 O O . PRO A 1 11 ? 3.710 -20.409 31.942 1.00 20.16 ? 29 PRO A O 1
1385ATOM 84 C CB . PRO A 1 11 ? 2.930 -20.622 28.957 1.00 20.79 ? 29 PRO A CB 1
1386ATOM 85 C CG . PRO A 1 11 ? 1.553 -20.276 28.434 1.00 21.43 ? 29 PRO A CG 1
1387ATOM 86 C CD . PRO A 1 11 ? 0.674 -20.199 29.662 1.00 20.92 ? 29 PRO A CD 1
1388ATOM 87 N N . LYS A 1 12 ? 4.661 -22.348 31.317 1.00 25.34 ? 30 LYS A N 1
1389ATOM 88 C CA . LYS A 1 12 ? 5.734 -22.334 32.356 1.00 26.07 ? 30 LYS A CA 1
1390ATOM 89 C C . LYS A 1 12 ? 6.531 -21.026 32.227 1.00 24.61 ? 30 LYS A C 1
1391ATOM 90 O O . LYS A 1 12 ? 6.924 -20.441 33.261 1.00 23.34 ? 30 LYS A O 1
1392ATOM 91 C CB . LYS A 1 12 ? 6.581 -23.606 32.237 1.00 28.20 ? 30 LYS A CB 1
1393ATOM 92 C CG . LYS A 1 12 ? 7.295 -23.839 30.907 1.00 28.30 ? 30 LYS A CG 1
1394ATOM 93 C CD . LYS A 1 12 ? 8.380 -24.910 31.022 1.00 29.46 ? 30 LYS A CD 1
1395ATOM 94 C CE . LYS A 1 12 ? 9.425 -24.855 29.928 1.00 29.88 ? 30 LYS A CE 1
1396ATOM 95 N NZ . LYS A 1 12 ? 8.812 -24.905 28.586 1.00 31.01 ? 30 LYS A NZ 1
1397ATOM 96 N N . GLU A 1 13 ? 6.682 -20.539 30.995 1.00 22.39 ? 31 GLU A N 1
1398ATOM 97 C CA . GLU A 1 13 ? 7.421 -19.289 30.692 1.00 23.00 ? 31 GLU A CA 1
1399ATOM 98 C C . GLU A 1 13 ? 6.789 -18.134 31.476 1.00 22.37 ? 31 GLU A C 1
1400ATOM 99 O O . GLU A 1 13 ? 7.540 -17.364 32.055 1.00 21.73 ? 31 GLU A O 1
1401ATOM 100 C CB . GLU A 1 13 ? 7.457 -19.058 29.185 1.00 21.40 ? 31 GLU A CB 1
1402ATOM 101 C CG . GLU A 1 13 ? 8.205 -20.147 28.436 1.00 20.76 ? 31 GLU A CG 1
1403ATOM 102 C CD . GLU A 1 13 ? 7.397 -21.306 27.895 1.00 20.27 ? 31 GLU A CD 1
1404ATOM 103 O OE1 . GLU A 1 13 ? 6.213 -21.457 28.285 1.00 20.18 ? 31 GLU A OE1 1
1405ATOM 104 O OE2 . GLU A 1 13 ? 7.963 -22.068 27.084 1.00 20.17 ? 31 GLU A OE2 1
1406ATOM 105 N N . LEU A 1 14 ? 5.460 -18.052 31.535 1.00 23.64 ? 32 LEU A N 1
1407ATOM 106 C CA . LEU A 1 14 ? 4.736 -17.013 32.332 1.00 23.98 ? 32 LEU A CA 1
1408ATOM 107 C C . LEU A 1 14 ? 4.954 -17.249 33.834 1.00 24.01 ? 32 LEU A C 1
1409ATOM 108 O O . LEU A 1 14 ? 5.138 -16.257 34.534 1.00 23.41 ? 32 LEU A O 1
1410ATOM 109 C CB . LEU A 1 14 ? 3.240 -17.044 32.003 1.00 24.19 ? 32 LEU A CB 1
1411ATOM 110 C CG . LEU A 1 14 ? 2.801 -16.425 30.673 1.00 24.84 ? 32 LEU A CG 1
1412ATOM 111 C CD1 . LEU A 1 14 ? 2.375 -14.988 30.867 1.00 24.39 ? 32 LEU A CD1 1
1413ATOM 112 C CD2 . LEU A 1 14 ? 3.869 -16.523 29.597 1.00 24.00 ? 32 LEU A CD2 1
1414ATOM 113 N N . THR A 1 15 ? 4.953 -18.498 34.320 1.00 24.72 ? 33 THR A N 1
1415ATOM 114 C CA . THR A 1 15 ? 5.040 -18.798 35.780 1.00 26.94 ? 33 THR A CA 1
1416ATOM 115 C C . THR A 1 15 ? 6.484 -18.593 36.261 1.00 29.07 ? 33 THR A C 1
1417ATOM 116 O O . THR A 1 15 ? 6.648 -18.244 37.453 1.00 26.07 ? 33 THR A O 1
1418ATOM 117 C CB . THR A 1 15 ? 4.453 -20.173 36.121 1.00 26.35 ? 33 THR A CB 1
1419ATOM 118 O OG1 . THR A 1 15 ? 4.988 -21.165 35.250 1.00 24.83 ? 33 THR A OG1 1
1420ATOM 119 C CG2 . THR A 1 15 ? 2.948 -20.193 35.984 1.00 27.61 ? 33 THR A CG2 1
1421ATOM 120 N N . GLN A 1 16 ? 7.467 -18.708 35.351 1.00 33.17 ? 34 GLN A N 1
1422ATOM 121 C CA . GLN A 1 16 ? 8.916 -18.399 35.581 1.00 33.71 ? 34 GLN A CA 1
1423ATOM 122 C C . GLN A 1 16 ? 9.133 -16.891 35.850 1.00 40.70 ? 34 GLN A C 1
1424ATOM 123 O O . GLN A 1 16 ? 10.271 -16.536 36.284 1.00 36.90 ? 34 GLN A O 1
1425ATOM 124 C CB . GLN A 1 16 ? 9.772 -18.847 34.384 1.00 34.66 ? 34 GLN A CB 1
1426ATOM 125 C CG . GLN A 1 16 ? 9.953 -20.367 34.262 1.00 35.07 ? 34 GLN A CG 1
1427ATOM 126 C CD . GLN A 1 16 ? 10.878 -20.831 33.153 1.00 37.09 ? 34 GLN A CD 1
1428ATOM 127 O OE1 . GLN A 1 16 ? 11.793 -20.124 32.734 1.00 39.97 ? 34 GLN A OE1 1
1429ATOM 128 N NE2 . GLN A 1 16 ? 10.675 -22.057 32.684 1.00 35.22 ? 34 GLN A NE2 1
1430ATOM 129 N N . ILE A 1 17 ? 8.108 -16.040 35.633 1.00 43.06 ? 35 ILE A N 1
1431ATOM 130 C CA . ILE A 1 17 ? 8.185 -14.538 35.597 1.00 44.03 ? 35 ILE A CA 1
1432ATOM 131 C C . ILE A 1 17 ? 7.470 -13.951 36.823 1.00 40.33 ? 35 ILE A C 1
1433ATOM 132 O O . ILE A 1 17 ? 7.873 -12.885 37.283 1.00 39.47 ? 35 ILE A O 1
1434ATOM 133 C CB . ILE A 1 17 ? 7.588 -13.991 34.271 1.00 48.54 ? 35 ILE A CB 1
1435ATOM 134 C CG1 . ILE A 1 17 ? 8.471 -14.316 33.061 1.00 48.26 ? 35 ILE A CG1 1
1436ATOM 135 C CG2 . ILE A 1 17 ? 7.280 -12.500 34.342 1.00 50.97 ? 35 ILE A CG2 1
1437ATOM 136 C CD1 . ILE A 1 17 ? 9.872 -13.735 33.122 1.00 49.91 ? 35 ILE A CD1 1
1438ATOM 137 N N . GLY A 1 18 ? 6.418 -14.597 37.308 1.00 39.29 ? 36 GLY A N 1
1439ATOM 138 C CA . GLY A 1 18 ? 5.768 -14.224 38.573 1.00 39.11 ? 36 GLY A CA 1
1440ATOM 139 C C . GLY A 1 18 ? 4.455 -14.956 38.735 1.00 40.12 ? 36 GLY A C 1
1441ATOM 140 O O . GLY A 1 18 ? 4.171 -15.868 37.913 1.00 37.12 ? 36 GLY A O 1
1442ATOM 141 N N . ASP A 1 19 ? 3.697 -14.588 39.767 1.00 36.05 ? 37 ASP A N 1
1443ATOM 142 C CA . ASP A 1 19 ? 2.298 -15.038 39.941 1.00 36.21 ? 37 ASP A CA 1
1444ATOM 143 C C . ASP A 1 19 ? 1.439 -14.167 39.030 1.00 30.95 ? 37 ASP A C 1
1445ATOM 144 O O . ASP A 1 19 ? 1.866 -13.055 38.703 1.00 32.79 ? 37 ASP A O 1
1446ATOM 145 C CB . ASP A 1 19 ? 1.855 -14.955 41.401 1.00 40.39 ? 37 ASP A CB 1
1447ATOM 146 C CG . ASP A 1 19 ? 2.806 -15.686 42.326 1.00 43.64 ? 37 ASP A CG 1
1448ATOM 147 O OD1 . ASP A 1 19 ? 3.164 -16.826 41.984 1.00 41.45 ? 37 ASP A OD1 1
1449ATOM 148 O OD2 . ASP A 1 19 ? 3.208 -15.091 43.354 1.00 42.63 ? 37 ASP A OD2 1
1450ATOM 149 N N . TRP A 1 20 ? 0.277 -14.681 38.646 1.00 27.13 ? 38 TRP A N 1
1451ATOM 150 C CA . TRP A 1 20 ? -0.679 -14.046 37.709 1.00 24.99 ? 38 TRP A CA 1
1452ATOM 151 C C . TRP A 1 20 ? -2.059 -14.106 38.341 1.00 23.54 ? 38 TRP A C 1
1453ATOM 152 O O . TRP A 1 20 ? -2.322 -15.102 39.012 1.00 25.68 ? 38 TRP A O 1
1454ATOM 153 C CB . TRP A 1 20 ? -0.611 -14.763 36.358 1.00 23.64 ? 38 TRP A CB 1
1455ATOM 154 C CG . TRP A 1 20 ? 0.677 -14.505 35.649 1.00 22.19 ? 38 TRP A CG 1
1456ATOM 155 C CD1 . TRP A 1 20 ? 1.853 -15.172 35.814 1.00 22.63 ? 38 TRP A CD1 1
1457ATOM 156 C CD2 . TRP A 1 20 ? 0.930 -13.480 34.676 1.00 22.41 ? 38 TRP A CD2 1
1458ATOM 157 N NE1 . TRP A 1 20 ? 2.822 -14.623 35.022 1.00 22.04 ? 38 TRP A NE1 1
1459ATOM 158 C CE2 . TRP A 1 20 ? 2.282 -13.600 34.298 1.00 21.36 ? 38 TRP A CE2 1
1460ATOM 159 C CE3 . TRP A 1 20 ? 0.141 -12.486 34.076 1.00 23.44 ? 38 TRP A CE3 1
1461ATOM 160 C CZ2 . TRP A 1 20 ? 2.863 -12.768 33.349 1.00 22.51 ? 38 TRP A CZ2 1
1462ATOM 161 C CZ3 . TRP A 1 20 ? 0.718 -11.646 33.152 1.00 23.37 ? 38 TRP A CZ3 1
1463ATOM 162 C CH2 . TRP A 1 20 ? 2.063 -11.787 32.796 1.00 24.52 ? 38 TRP A CH2 1
1464ATOM 163 N N . LYS A 1 21 ? -2.875 -13.062 38.202 1.00 24.56 ? 39 LYS A N 1
1465ATOM 164 C CA . LYS A 1 21 ? -4.317 -13.114 38.585 1.00 24.56 ? 39 LYS A CA 1
1466ATOM 165 C C . LYS A 1 21 ? -5.168 -12.790 37.353 1.00 23.36 ? 39 LYS A C 1
1467ATOM 166 O O . LYS A 1 21 ? -4.677 -12.125 36.418 1.00 23.58 ? 39 LYS A O 1
1468ATOM 167 C CB . LYS A 1 21 ? -4.672 -12.174 39.748 1.00 25.14 ? 39 LYS A CB 1
1469ATOM 168 C CG . LYS A 1 21 ? -4.578 -10.683 39.443 1.00 27.49 ? 39 LYS A CG 1
1470ATOM 169 C CD . LYS A 1 21 ? -4.603 -9.772 40.672 1.00 30.41 ? 39 LYS A CD 1
1471ATOM 170 C CE . LYS A 1 21 ? -4.555 -8.285 40.355 1.00 32.51 ? 39 LYS A CE 1
1472ATOM 171 N NZ . LYS A 1 21 ? -3.382 -7.919 39.524 1.00 34.15 ? 39 LYS A NZ 1
1473ATOM 172 N N . VAL A 1 22 ? -6.427 -13.198 37.422 1.00 22.19 ? 40 VAL A N 1
1474ATOM 173 C CA . VAL A 1 22 ? -7.449 -12.998 36.371 1.00 22.47 ? 40 VAL A CA 1
1475ATOM 174 C C . VAL A 1 22 ? -7.893 -11.545 36.374 1.00 21.24 ? 40 VAL A C 1
1476ATOM 175 O O . VAL A 1 22 ? -8.242 -11.066 37.437 1.00 20.83 ? 40 VAL A O 1
1477ATOM 176 C CB . VAL A 1 22 ? -8.689 -13.872 36.596 1.00 22.81 ? 40 VAL A CB 1
1478ATOM 177 C CG1 . VAL A 1 22 ? -9.603 -13.727 35.393 1.00 24.00 ? 40 VAL A CG1 1
1479ATOM 178 C CG2 . VAL A 1 22 ? -8.354 -15.327 36.864 1.00 24.00 ? 40 VAL A CG2 1
1480ATOM 179 N N . ASP A 1 23 ? -7.967 -10.927 35.202 1.00 19.57 ? 41 ASP A N 1
1481ATOM 180 C CA . ASP A 1 23 ? -8.798 -9.726 34.995 1.00 19.28 ? 41 ASP A CA 1
1482ATOM 181 C C . ASP A 1 23 ? -10.195 -10.201 34.572 1.00 19.84 ? 41 ASP A C 1
1483ATOM 182 O O . ASP A 1 23 ? -10.395 -10.588 33.391 1.00 18.57 ? 41 ASP A O 1
1484ATOM 183 C CB . ASP A 1 23 ? -8.125 -8.738 34.041 1.00 20.02 ? 41 ASP A CB 1
1485ATOM 184 C CG . ASP A 1 23 ? -8.945 -7.468 33.852 1.00 19.25 ? 41 ASP A CG 1
1486ATOM 185 O OD1 . ASP A 1 23 ? -10.130 -7.496 34.190 1.00 18.21 ? 41 ASP A OD1 1
1487ATOM 186 O OD2 . ASP A 1 23 ? -8.399 -6.487 33.357 1.00 20.07 ? 41 ASP A OD2 1
1488ATOM 187 N N . LYS A 1 24 ? -11.136 -10.153 35.518 1.00 20.37 ? 42 LYS A N 1
1489ATOM 188 C CA . LYS A 1 24 ? -12.505 -10.722 35.413 1.00 20.72 ? 42 LYS A CA 1
1490ATOM 189 C C . LYS A 1 24 ? -13.285 -9.960 34.341 1.00 18.82 ? 42 LYS A C 1
1491ATOM 190 O O . LYS A 1 24 ? -14.198 -10.537 33.757 1.00 17.99 ? 42 LYS A O 1
1492ATOM 191 C CB . LYS A 1 24 ? -13.220 -10.652 36.773 1.00 24.33 ? 42 LYS A CB 1
1493ATOM 192 C CG . LYS A 1 24 ? -12.745 -11.664 37.817 1.00 28.00 ? 42 LYS A CG 1
1494ATOM 193 C CD . LYS A 1 24 ? -13.017 -11.273 39.287 1.00 31.42 ? 42 LYS A CD 1
1495ATOM 194 C CE . LYS A 1 24 ? -12.141 -12.042 40.266 1.00 33.30 ? 42 LYS A CE 1
1496ATOM 195 N NZ . LYS A 1 24 ? -12.681 -12.038 41.646 1.00 34.98 ? 42 LYS A NZ 1
1497ATOM 196 N N . ASN A 1 25 ? -12.951 -8.698 34.107 1.00 18.43 ? 43 ASN A N 1
1498ATOM 197 C CA . ASN A 1 25 ? -13.623 -7.853 33.081 1.00 19.47 ? 43 ASN A CA 1
1499ATOM 198 C C . ASN A 1 25 ? -13.289 -8.281 31.640 1.00 18.20 ? 43 ASN A C 1
1500ATOM 199 O O . ASN A 1 25 ? -13.994 -7.833 30.730 1.00 18.17 ? 43 ASN A O 1
1501ATOM 200 C CB . ASN A 1 25 ? -13.301 -6.377 33.301 1.00 21.34 ? 43 ASN A CB 1
1502ATOM 201 C CG . ASN A 1 25 ? -13.726 -5.897 34.673 1.00 23.88 ? 43 ASN A CG 1
1503ATOM 202 O OD1 . ASN A 1 25 ? -14.772 -6.312 35.192 1.00 23.34 ? 43 ASN A OD1 1
1504ATOM 203 N ND2 . ASN A 1 25 ? -12.897 -5.049 35.265 1.00 24.99 ? 43 ASN A ND2 1
1505ATOM 204 N N . LEU A 1 26 ? -12.262 -9.091 31.414 1.00 18.85 ? 44 LEU A N 1
1506ATOM 205 C CA . LEU A 1 26 ? -11.819 -9.493 30.051 1.00 18.54 ? 44 LEU A CA 1
1507ATOM 206 C C . LEU A 1 26 ? -11.644 -11.010 29.987 1.00 16.60 ? 44 LEU A C 1
1508ATOM 207 O O . LEU A 1 26 ? -11.031 -11.499 29.011 1.00 13.64 ? 44 LEU A O 1
1509ATOM 208 C CB . LEU A 1 26 ? -10.514 -8.760 29.758 1.00 21.02 ? 44 LEU A CB 1
1510ATOM 209 C CG . LEU A 1 26 ? -10.698 -7.266 29.545 1.00 22.67 ? 44 LEU A CG 1
1511ATOM 210 C CD1 . LEU A 1 26 ? -9.404 -6.507 29.739 1.00 24.56 ? 44 LEU A CD1 1
1512ATOM 211 C CD2 . LEU A 1 26 ? -11.292 -7.006 28.174 1.00 24.01 ? 44 LEU A CD2 1
1513ATOM 212 N N . SER A 1 27 ? -12.216 -11.711 30.971 1.00 15.03 ? 45 SER A N 1
1514ATOM 213 C CA . SER A 1 27 ? -12.269 -13.195 31.026 1.00 14.62 ? 45 SER A CA 1
1515ATOM 214 C C . SER A 1 27 ? -13.729 -13.670 31.051 1.00 14.06 ? 45 SER A C 1
1516ATOM 215 O O . SER A 1 27 ? -14.582 -13.019 31.675 1.00 13.58 ? 45 SER A O 1
1517ATOM 216 C CB . SER A 1 27 ? -11.475 -13.693 32.199 1.00 14.66 ? 45 SER A CB 1
1518ATOM 217 O OG . SER A 1 27 ? -10.260 -12.963 32.301 1.00 14.24 ? 45 SER A OG 1
1519ATOM 218 N N . ASP A 1 28 ? -14.033 -14.740 30.320 1.00 13.97 ? 46 ASP A N 1
1520ATOM 219 C CA . ASP A 1 28 ? -15.405 -15.307 30.262 1.00 12.82 ? 46 ASP A CA 1
1521ATOM 220 C C . ASP A 1 28 ? -15.354 -16.781 29.875 1.00 12.98 ? 46 ASP A C 1
1522ATOM 221 O O . ASP A 1 28 ? -14.726 -17.121 28.846 1.00 13.48 ? 46 ASP A O 1
1523ATOM 222 C CB . ASP A 1 28 ? -16.265 -14.550 29.256 1.00 12.81 ? 46 ASP A CB 1
1524ATOM 223 C CG . ASP A 1 28 ? -17.716 -14.456 29.715 1.00 13.52 ? 46 ASP A CG 1
1525ATOM 224 O OD1 . ASP A 1 28 ? -18.235 -15.473 30.227 1.00 13.88 ? 46 ASP A OD1 1
1526ATOM 225 O OD2 . ASP A 1 28 ? -18.312 -13.366 29.577 1.00 13.69 ? 46 ASP A OD2 1
1527ATOM 226 N N . ASP A 1 29 ? -16.014 -17.617 30.655 1.00 13.34 ? 47 ASP A N 1
1528ATOM 227 C CA . ASP A 1 29 ? -16.304 -19.027 30.296 1.00 14.45 ? 47 ASP A CA 1
1529ATOM 228 C C . ASP A 1 29 ? -17.453 -19.109 29.274 1.00 14.16 ? 47 ASP A C 1
1530ATOM 229 O O . ASP A 1 29 ? -17.706 -20.245 28.784 1.00 14.84 ? 47 ASP A O 1
1531ATOM 230 C CB . ASP A 1 29 ? -16.616 -19.854 31.546 1.00 14.78 ? 47 ASP A CB 1
1532ATOM 231 C CG . ASP A 1 29 ? -15.354 -20.324 32.233 1.00 15.73 ? 47 ASP A CG 1
1533ATOM 232 O OD1 . ASP A 1 29 ? -14.479 -20.913 31.524 1.00 16.03 ? 47 ASP A OD1 1
1534ATOM 233 O OD2 . ASP A 1 29 ? -15.228 -20.048 33.460 1.00 16.04 ? 47 ASP A OD2 1
1535ATOM 234 N N . PHE A 1 30 ? -18.144 -18.000 28.970 1.00 13.32 ? 48 PHE A N 1
1536ATOM 235 C CA . PHE A 1 30 ? -19.220 -17.968 27.948 1.00 13.70 ? 48 PHE A CA 1
1537ATOM 236 C C . PHE A 1 30 ? -20.203 -19.125 28.187 1.00 14.55 ? 48 PHE A C 1
1538ATOM 237 O O . PHE A 1 30 ? -20.715 -19.748 27.209 1.00 14.04 ? 48 PHE A O 1
1539ATOM 238 C CB . PHE A 1 30 ? -18.602 -18.056 26.545 1.00 13.09 ? 48 PHE A CB 1
1540ATOM 239 C CG . PHE A 1 30 ? -17.811 -16.836 26.168 1.00 12.33 ? 48 PHE A CG 1
1541ATOM 240 C CD1 . PHE A 1 30 ? -18.377 -15.577 26.257 1.00 12.22 ? 48 PHE A CD1 1
1542ATOM 241 C CD2 . PHE A 1 30 ? -16.498 -16.938 25.752 1.00 12.46 ? 48 PHE A CD2 1
1543ATOM 242 C CE1 . PHE A 1 30 ? -17.642 -14.452 25.920 1.00 12.26 ? 48 PHE A CE1 1
1544ATOM 243 C CE2 . PHE A 1 30 ? -15.775 -15.814 25.391 1.00 11.79 ? 48 PHE A CE2 1
1545ATOM 244 C CZ . PHE A 1 30 ? -16.346 -14.575 25.493 1.00 12.15 ? 48 PHE A CZ 1
1546ATOM 245 N N . ASN A 1 31 ? -20.476 -19.421 29.460 1.00 15.11 ? 49 ASN A N 1
1547ATOM 246 C CA . ASN A 1 31 ? -21.384 -20.532 29.850 1.00 16.54 ? 49 ASN A CA 1
1548ATOM 247 C C . ASN A 1 31 ? -22.801 -19.973 30.093 1.00 17.98 ? 49 ASN A C 1
1549ATOM 248 O O . ASN A 1 31 ? -23.693 -20.769 30.362 1.00 19.25 ? 49 ASN A O 1
1550ATOM 249 C CB . ASN A 1 31 ? -20.820 -21.326 31.034 1.00 15.91 ? 49 ASN A CB 1
1551ATOM 250 C CG . ASN A 1 31 ? -19.561 -22.116 30.712 1.00 16.43 ? 49 ASN A CG 1
1552ATOM 251 O OD1 . ASN A 1 31 ? -19.228 -22.389 29.553 1.00 15.23 ? 49 ASN A OD1 1
1553ATOM 252 N ND2 . ASN A 1 31 ? -18.851 -22.497 31.754 1.00 15.99 ? 49 ASN A ND2 1
1554ATOM 253 N N . TYR A 1 32 ? -23.019 -18.665 29.951 1.00 18.28 ? 50 TYR A N 1
1555ATOM 254 C CA . TYR A 1 32 ? -24.379 -18.071 29.850 1.00 20.24 ? 50 TYR A CA 1
1556ATOM 255 C C . TYR A 1 32 ? -25.215 -18.820 28.805 1.00 18.54 ? 50 TYR A C 1
1557ATOM 256 O O . TYR A 1 32 ? -24.672 -19.210 27.763 1.00 18.61 ? 50 TYR A O 1
1558ATOM 257 C CB . TYR A 1 32 ? -24.349 -16.624 29.345 1.00 22.43 ? 50 TYR A CB 1
1559ATOM 258 C CG . TYR A 1 32 ? -23.256 -15.738 29.875 1.00 22.78 ? 50 TYR A CG 1
1560ATOM 259 C CD1 . TYR A 1 32 ? -23.232 -15.351 31.200 1.00 23.73 ? 50 TYR A CD1 1
1561ATOM 260 C CD2 . TYR A 1 32 ? -22.281 -15.240 29.024 1.00 22.72 ? 50 TYR A CD2 1
1562ATOM 261 C CE1 . TYR A 1 32 ? -22.250 -14.492 31.674 1.00 23.98 ? 50 TYR A CE1 1
1563ATOM 262 C CE2 . TYR A 1 32 ? -21.288 -14.396 29.484 1.00 22.61 ? 50 TYR A CE2 1
1564ATOM 263 C CZ . TYR A 1 32 ? -21.265 -14.029 30.820 1.00 23.81 ? 50 TYR A CZ 1
1565ATOM 264 O OH . TYR A 1 32 ? -20.294 -13.183 31.282 1.00 23.51 ? 50 TYR A OH 1
1566ATOM 265 N N . THR A 1 33 ? -26.521 -18.933 29.027 1.00 18.81 ? 51 THR A N 1
1567ATOM 266 C CA . THR A 1 33 ? -27.476 -19.574 28.081 1.00 19.92 ? 51 THR A CA 1
1568ATOM 267 C C . THR A 1 33 ? -28.004 -18.527 27.085 1.00 19.82 ? 51 THR A C 1
1569ATOM 268 O O . THR A 1 33 ? -28.600 -18.925 26.055 1.00 20.98 ? 51 THR A O 1
1570ATOM 269 C CB . THR A 1 33 ? -28.603 -20.265 28.863 1.00 21.04 ? 51 THR A CB 1
1571ATOM 270 O OG1 . THR A 1 33 ? -29.092 -19.327 29.824 1.00 21.17 ? 51 THR A OG1 1
1572ATOM 271 C CG2 . THR A 1 33 ? -28.150 -21.529 29.564 1.00 20.99 ? 51 THR A CG2 1
1573ATOM 272 N N . THR A 1 34 ? -27.836 -17.235 27.397 1.00 19.09 ? 52 THR A N 1
1574ATOM 273 C CA . THR A 1 34 ? -28.217 -16.090 26.520 1.00 19.26 ? 52 THR A CA 1
1575ATOM 274 C C . THR A 1 34 ? -27.257 -14.926 26.752 1.00 18.27 ? 52 THR A C 1
1576ATOM 275 O O . THR A 1 34 ? -26.521 -14.965 27.731 1.00 19.08 ? 52 THR A O 1
1577ATOM 276 C CB . THR A 1 34 ? -29.638 -15.571 26.816 1.00 19.30 ? 52 THR A CB 1
1578ATOM 277 O OG1 . THR A 1 34 ? -29.673 -15.014 28.139 1.00 17.59 ? 52 THR A OG1 1
1579ATOM 278 C CG2 . THR A 1 34 ? -30.681 -16.658 26.725 1.00 19.87 ? 52 THR A CG2 1
1580ATOM 279 N N . LYS A 1 35 ? -27.388 -13.885 25.933 1.00 19.43 ? 53 LYS A N 1
1581ATOM 280 C CA . LYS A 1 35 ? -26.751 -12.566 26.115 1.00 19.25 ? 53 LYS A CA 1
1582ATOM 281 C C . LYS A 1 35 ? -27.475 -11.838 27.236 1.00 20.04 ? 53 LYS A C 1
1583ATOM 282 O O . LYS A 1 35 ? -28.409 -11.112 26.945 1.00 20.61 ? 53 LYS A O 1
1584ATOM 283 C CB . LYS A 1 35 ? -26.819 -11.753 24.827 1.00 17.96 ? 53 LYS A CB 1
1585ATOM 284 C CG . LYS A 1 35 ? -25.918 -12.255 23.710 1.00 17.77 ? 53 LYS A CG 1
1586ATOM 285 C CD . LYS A 1 35 ? -26.031 -11.396 22.482 1.00 16.89 ? 53 LYS A CD 1
1587ATOM 286 C CE . LYS A 1 35 ? -25.198 -11.878 21.329 1.00 15.71 ? 53 LYS A CE 1
1588ATOM 287 N NZ . LYS A 1 35 ? -25.569 -11.164 20.096 1.00 14.88 ? 53 LYS A NZ 1
1589ATOM 288 N N . ASN A 1 36 ? -27.021 -12.028 28.470 1.00 21.79 ? 54 ASN A N 1
1590ATOM 289 C CA . ASN A 1 36 ? -27.711 -11.517 29.684 1.00 22.73 ? 54 ASN A CA 1
1591ATOM 290 C C . ASN A 1 36 ? -26.971 -10.273 30.200 1.00 23.39 ? 54 ASN A C 1
1592ATOM 291 O O . ASN A 1 36 ? -26.019 -9.803 29.534 1.00 21.85 ? 54 ASN A O 1
1593ATOM 292 C CB . ASN A 1 36 ? -27.832 -12.620 30.738 1.00 22.93 ? 54 ASN A CB 1
1594ATOM 293 C CG . ASN A 1 36 ? -26.485 -13.121 31.206 1.00 23.69 ? 54 ASN A CG 1
1595ATOM 294 O OD1 . ASN A 1 36 ? -25.467 -12.488 30.954 1.00 24.67 ? 54 ASN A OD1 1
1596ATOM 295 N ND2 . ASN A 1 36 ? -26.457 -14.286 31.827 1.00 25.23 ? 54 ASN A ND2 1
1597ATOM 296 N N . LYS A 1 37 ? -27.392 -9.758 31.348 1.00 24.72 ? 55 LYS A N 1
1598ATOM 297 C CA . LYS A 1 37 ? -26.801 -8.553 31.969 1.00 29.21 ? 55 LYS A CA 1
1599ATOM 298 C C . LYS A 1 37 ? -25.309 -8.776 32.200 1.00 27.66 ? 55 LYS A C 1
1600ATOM 299 O O . LYS A 1 37 ? -24.554 -7.834 31.993 1.00 25.47 ? 55 LYS A O 1
1601ATOM 300 C CB . LYS A 1 37 ? -27.517 -8.211 33.276 1.00 35.20 ? 55 LYS A CB 1
1602ATOM 301 C CG . LYS A 1 37 ? -28.478 -7.032 33.182 1.00 40.14 ? 55 LYS A CG 1
1603ATOM 302 C CD . LYS A 1 37 ? -29.194 -6.734 34.479 1.00 45.46 ? 55 LYS A CD 1
1604ATOM 303 C CE . LYS A 1 37 ? -28.296 -6.862 35.698 1.00 47.53 ? 55 LYS A CE 1
1605ATOM 304 N NZ . LYS A 1 37 ? -28.863 -6.156 36.871 1.00 51.73 ? 55 LYS A NZ 1
1606ATOM 305 N N . LYS A 1 38 ? -24.903 -9.964 32.649 1.00 28.50 ? 56 LYS A N 1
1607ATOM 306 C CA . LYS A 1 38 ? -23.476 -10.238 32.948 1.00 29.28 ? 56 LYS A CA 1
1608ATOM 307 C C . LYS A 1 38 ? -22.688 -10.181 31.642 1.00 26.58 ? 56 LYS A C 1
1609ATOM 308 O O . LYS A 1 38 ? -21.556 -9.632 31.658 1.00 24.93 ? 56 LYS A O 1
1610ATOM 309 C CB . LYS A 1 38 ? -23.250 -11.604 33.600 1.00 33.85 ? 56 LYS A CB 1
1611ATOM 310 C CG . LYS A 1 38 ? -23.457 -11.679 35.108 1.00 39.24 ? 56 LYS A CG 1
1612ATOM 311 C CD . LYS A 1 38 ? -23.162 -13.085 35.613 1.00 44.07 ? 56 LYS A CD 1
1613ATOM 312 C CE . LYS A 1 38 ? -23.789 -13.434 36.945 1.00 46.52 ? 56 LYS A CE 1
1614ATOM 313 N NZ . LYS A 1 38 ? -23.692 -14.891 37.205 1.00 47.81 ? 56 LYS A NZ 1
1615ATOM 314 N N . PHE A 1 39 ? -23.233 -10.739 30.552 1.00 23.03 ? 57 PHE A N 1
1616ATOM 315 C CA . PHE A 1 39 ? -22.571 -10.677 29.217 1.00 21.41 ? 57 PHE A CA 1
1617ATOM 316 C C . PHE A 1 39 ? -22.343 -9.211 28.832 1.00 19.42 ? 57 PHE A C 1
1618ATOM 317 O O . PHE A 1 39 ? -21.208 -8.894 28.429 1.00 19.96 ? 57 PHE A O 1
1619ATOM 318 C CB . PHE A 1 39 ? -23.340 -11.438 28.137 1.00 21.48 ? 57 PHE A CB 1
1620ATOM 319 C CG . PHE A 1 39 ? -22.816 -11.238 26.739 1.00 21.86 ? 57 PHE A CG 1
1621ATOM 320 C CD1 . PHE A 1 39 ? -21.814 -12.049 26.231 1.00 23.65 ? 57 PHE A CD1 1
1622ATOM 321 C CD2 . PHE A 1 39 ? -23.326 -10.243 25.926 1.00 21.60 ? 57 PHE A CD2 1
1623ATOM 322 C CE1 . PHE A 1 39 ? -21.329 -11.859 24.945 1.00 24.15 ? 57 PHE A CE1 1
1624ATOM 323 C CE2 . PHE A 1 39 ? -22.843 -10.062 24.641 1.00 22.51 ? 57 PHE A CE2 1
1625ATOM 324 C CZ . PHE A 1 39 ? -21.844 -10.869 24.153 1.00 23.00 ? 57 PHE A CZ 1
1626ATOM 325 N N . PHE A 1 40 ? -23.340 -8.340 28.986 1.00 17.51 ? 58 PHE A N 1
1627ATOM 326 C CA . PHE A 1 40 ? -23.268 -6.948 28.475 1.00 19.07 ? 58 PHE A CA 1
1628ATOM 327 C C . PHE A 1 40 ? -22.446 -6.062 29.421 1.00 20.70 ? 58 PHE A C 1
1629ATOM 328 O O . PHE A 1 40 ? -21.952 -5.030 28.951 1.00 22.05 ? 58 PHE A O 1
1630ATOM 329 C CB . PHE A 1 40 ? -24.659 -6.409 28.136 1.00 18.46 ? 58 PHE A CB 1
1631ATOM 330 C CG . PHE A 1 40 ? -25.171 -6.956 26.827 1.00 18.36 ? 58 PHE A CG 1
1632ATOM 331 C CD1 . PHE A 1 40 ? -24.478 -6.716 25.644 1.00 17.31 ? 58 PHE A CD1 1
1633ATOM 332 C CD2 . PHE A 1 40 ? -26.311 -7.744 26.779 1.00 17.46 ? 58 PHE A CD2 1
1634ATOM 333 C CE1 . PHE A 1 40 ? -24.933 -7.224 24.434 1.00 17.92 ? 58 PHE A CE1 1
1635ATOM 334 C CE2 . PHE A 1 40 ? -26.742 -8.279 25.574 1.00 18.81 ? 58 PHE A CE2 1
1636ATOM 335 C CZ . PHE A 1 40 ? -26.059 -8.020 24.401 1.00 18.00 ? 58 PHE A CZ 1
1637ATOM 336 N N . LYS A 1 41 ? -22.224 -6.482 30.664 1.00 21.84 ? 59 LYS A N 1
1638ATOM 337 C CA . LYS A 1 41 ? -21.336 -5.772 31.614 1.00 23.82 ? 59 LYS A CA 1
1639ATOM 338 C C . LYS A 1 41 ? -19.915 -5.763 31.046 1.00 21.88 ? 59 LYS A C 1
1640ATOM 339 O O . LYS A 1 41 ? -19.263 -4.738 31.154 1.00 22.32 ? 59 LYS A O 1
1641ATOM 340 C CB . LYS A 1 41 ? -21.397 -6.433 32.995 1.00 28.90 ? 59 LYS A CB 1
1642ATOM 341 C CG . LYS A 1 41 ? -20.517 -5.809 34.069 1.00 34.01 ? 59 LYS A CG 1
1643ATOM 342 C CD . LYS A 1 41 ? -20.874 -6.277 35.473 1.00 39.86 ? 59 LYS A CD 1
1644ATOM 343 C CE . LYS A 1 41 ? -20.136 -5.536 36.567 1.00 42.19 ? 59 LYS A CE 1
1645ATOM 344 N NZ . LYS A 1 41 ? -20.713 -5.839 37.898 1.00 44.90 ? 59 LYS A NZ 1
1646ATOM 345 N N . LYS A 1 42 ? -19.484 -6.851 30.403 1.00 20.68 ? 60 LYS A N 1
1647ATOM 346 C CA . LYS A 1 42 ? -18.094 -7.040 29.923 1.00 19.51 ? 60 LYS A CA 1
1648ATOM 347 C C . LYS A 1 42 ? -17.990 -6.754 28.424 1.00 18.24 ? 60 LYS A C 1
1649ATOM 348 O O . LYS A 1 42 ? -16.962 -6.158 27.999 1.00 17.11 ? 60 LYS A O 1
1650ATOM 349 C CB . LYS A 1 42 ? -17.627 -8.472 30.180 1.00 22.08 ? 60 LYS A CB 1
1651ATOM 350 C CG . LYS A 1 42 ? -17.870 -9.026 31.572 1.00 22.55 ? 60 LYS A CG 1
1652ATOM 351 C CD . LYS A 1 42 ? -17.230 -10.384 31.770 1.00 23.78 ? 60 LYS A CD 1
1653ATOM 352 C CE . LYS A 1 42 ? -17.035 -10.732 33.229 1.00 25.42 ? 60 LYS A CE 1
1654ATOM 353 N NZ . LYS A 1 42 ? -16.337 -12.034 33.391 1.00 26.68 ? 60 LYS A NZ 1
1655ATOM 354 N N . TRP A 1 43 ? -18.987 -7.176 27.648 1.00 16.03 ? 61 TRP A N 1
1656ATOM 355 C CA . TRP A 1 43 ? -18.871 -7.304 26.174 1.00 15.98 ? 61 TRP A CA 1
1657ATOM 356 C C . TRP A 1 43 ? -19.840 -6.373 25.467 1.00 16.68 ? 61 TRP A C 1
1658ATOM 357 O O . TRP A 1 43 ? -20.900 -6.062 26.017 1.00 17.71 ? 61 TRP A O 1
1659ATOM 358 C CB . TRP A 1 43 ? -19.130 -8.744 25.749 1.00 15.83 ? 61 TRP A CB 1
1660ATOM 359 C CG . TRP A 1 43 ? -18.244 -9.692 26.486 1.00 15.42 ? 61 TRP A CG 1
1661ATOM 360 C CD1 . TRP A 1 43 ? -18.598 -10.558 27.473 1.00 15.85 ? 61 TRP A CD1 1
1662ATOM 361 C CD2 . TRP A 1 43 ? -16.829 -9.824 26.320 1.00 15.27 ? 61 TRP A CD2 1
1663ATOM 362 N NE1 . TRP A 1 43 ? -17.501 -11.234 27.929 1.00 15.71 ? 61 TRP A NE1 1
1664ATOM 363 C CE2 . TRP A 1 43 ? -16.397 -10.800 27.249 1.00 15.43 ? 61 TRP A CE2 1
1665ATOM 364 C CE3 . TRP A 1 43 ? -15.896 -9.238 25.464 1.00 14.48 ? 61 TRP A CE3 1
1666ATOM 365 C CZ2 . TRP A 1 43 ? -15.067 -11.190 27.356 1.00 14.47 ? 61 TRP A CZ2 1
1667ATOM 366 C CZ3 . TRP A 1 43 ? -14.575 -9.606 25.585 1.00 14.70 ? 61 TRP A CZ3 1
1668ATOM 367 C CH2 . TRP A 1 43 ? -14.174 -10.581 26.508 1.00 15.07 ? 61 TRP A CH2 1
1669ATOM 368 N N . LYS A 1 44 ? -19.505 -5.981 24.256 1.00 17.42 ? 62 LYS A N 1
1670ATOM 369 C CA . LYS A 1 44 ? -20.527 -5.456 23.340 1.00 18.57 ? 62 LYS A CA 1
1671ATOM 370 C C . LYS A 1 44 ? -20.564 -6.418 22.156 1.00 17.05 ? 62 LYS A C 1
1672ATOM 371 O O . LYS A 1 44 ? -19.524 -6.993 21.832 1.00 14.89 ? 62 LYS A O 1
1673ATOM 372 C CB . LYS A 1 44 ? -20.271 -3.962 23.126 1.00 22.29 ? 62 LYS A CB 1
1674ATOM 373 C CG . LYS A 1 44 ? -19.232 -3.574 22.104 1.00 26.28 ? 62 LYS A CG 1
1675ATOM 374 C CD . LYS A 1 44 ? -19.284 -2.092 21.787 1.00 28.53 ? 62 LYS A CD 1
1676ATOM 375 C CE . LYS A 1 44 ? -18.950 -1.196 22.960 1.00 31.82 ? 62 LYS A CE 1
1677ATOM 376 N NZ . LYS A 1 44 ? -18.577 0.157 22.469 1.00 32.75 ? 62 LYS A NZ 1
1678ATOM 377 N N . ASP A 1 45 ? -21.761 -6.706 21.648 1.00 16.38 ? 63 ASP A N 1
1679ATOM 378 C CA . ASP A 1 45 ? -21.941 -7.594 20.475 1.00 15.51 ? 63 ASP A CA 1
1680ATOM 379 C C . ASP A 1 45 ? -21.815 -6.720 19.225 1.00 15.73 ? 63 ASP A C 1
1681ATOM 380 O O . ASP A 1 45 ? -22.681 -6.799 18.346 1.00 16.93 ? 63 ASP A O 1
1682ATOM 381 C CB . ASP A 1 45 ? -23.217 -8.431 20.608 1.00 15.52 ? 63 ASP A CB 1
1683ATOM 382 C CG . ASP A 1 45 ? -24.535 -7.671 20.592 1.00 15.82 ? 63 ASP A CG 1
1684ATOM 383 O OD1 . ASP A 1 45 ? -24.486 -6.422 20.668 1.00 15.93 ? 63 ASP A OD1 1
1685ATOM 384 O OD2 . ASP A 1 45 ? -25.602 -8.347 20.526 1.00 13.74 ? 63 ASP A OD2 1
1686ATOM 385 N N . SER A 1 46 ? -20.759 -5.906 19.166 1.00 16.03 ? 64 SER A N 1
1687ATOM 386 C CA . SER A 1 46 ? -20.349 -5.118 17.969 1.00 15.68 ? 64 SER A CA 1
1688ATOM 387 C C . SER A 1 46 ? -18.832 -4.960 17.952 1.00 14.53 ? 64 SER A C 1
1689ATOM 388 O O . SER A 1 46 ? -18.159 -5.282 18.976 1.00 14.30 ? 64 SER A O 1
1690ATOM 389 C CB . SER A 1 46 ? -20.986 -3.756 17.938 1.00 15.44 ? 64 SER A CB 1
1691ATOM 390 O OG . SER A 1 46 ? -20.452 -2.977 19.000 1.00 16.79 ? 64 SER A OG 1
1692ATOM 391 N N . TYR A 1 47 ? -18.340 -4.428 16.837 1.00 13.21 ? 65 TYR A N 1
1693ATOM 392 C CA . TYR A 1 47 ? -16.982 -3.862 16.709 1.00 13.59 ? 65 TYR A CA 1
1694ATOM 393 C C . TYR A 1 47 ? -16.821 -2.655 17.654 1.00 12.93 ? 65 TYR A C 1
1695ATOM 394 O O . TYR A 1 47 ? -17.776 -2.245 18.295 1.00 13.34 ? 65 TYR A O 1
1696ATOM 395 C CB . TYR A 1 47 ? -16.697 -3.533 15.236 1.00 13.68 ? 65 TYR A CB 1
1697ATOM 396 C CG . TYR A 1 47 ? -15.253 -3.193 15.008 1.00 13.02 ? 65 TYR A CG 1
1698ATOM 397 C CD1 . TYR A 1 47 ? -14.273 -4.119 15.301 1.00 13.11 ? 65 TYR A CD1 1
1699ATOM 398 C CD2 . TYR A 1 47 ? -14.857 -1.919 14.625 1.00 12.95 ? 65 TYR A CD2 1
1700ATOM 399 C CE1 . TYR A 1 47 ? -12.925 -3.805 15.168 1.00 13.29 ? 65 TYR A CE1 1
1701ATOM 400 C CE2 . TYR A 1 47 ? -13.516 -1.592 14.486 1.00 12.92 ? 65 TYR A CE2 1
1702ATOM 401 C CZ . TYR A 1 47 ? -12.545 -2.534 14.785 1.00 12.85 ? 65 TYR A CZ 1
1703ATOM 402 O OH . TYR A 1 47 ? -11.224 -2.244 14.616 1.00 12.69 ? 65 TYR A OH 1
1704ATOM 403 N N . THR A 1 48 ? -15.607 -2.121 17.785 1.00 13.55 ? 66 THR A N 1
1705ATOM 404 C CA . THR A 1 48 ? -15.256 -1.054 18.771 1.00 14.08 ? 66 THR A CA 1
1706ATOM 405 C C . THR A 1 48 ? -15.926 0.270 18.362 1.00 14.49 ? 66 THR A C 1
1707ATOM 406 O O . THR A 1 48 ? -16.295 1.037 19.236 1.00 15.46 ? 66 THR A O 1
1708ATOM 407 C CB . THR A 1 48 ? -13.733 -0.932 18.929 1.00 13.81 ? 66 THR A CB 1
1709ATOM 408 O OG1 . THR A 1 48 ? -13.178 -0.468 17.696 1.00 13.97 ? 66 THR A OG1 1
1710ATOM 409 C CG2 . THR A 1 48 ? -13.080 -2.238 19.329 1.00 13.17 ? 66 THR A CG2 1
1711ATOM 410 N N . ASN A 1 49 ? -16.147 0.491 17.072 1.00 15.27 ? 67 ASN A N 1
1712ATOM 411 C CA . ASN A 1 49 ? -16.871 1.665 16.522 1.00 16.95 ? 67 ASN A CA 1
1713ATOM 412 C C . ASN A 1 49 ? -17.882 1.161 15.485 1.00 17.82 ? 67 ASN A C 1
1714ATOM 413 O O . ASN A 1 49 ? -18.110 -0.054 15.441 1.00 20.01 ? 67 ASN A O 1
1715ATOM 414 C CB . ASN A 1 49 ? -15.859 2.676 15.978 1.00 16.63 ? 67 ASN A CB 1
1716ATOM 415 C CG . ASN A 1 49 ? -14.982 2.083 14.892 1.00 18.06 ? 67 ASN A CG 1
1717ATOM 416 O OD1 . ASN A 1 49 ? -15.405 1.177 14.164 1.00 18.69 ? 67 ASN A OD1 1
1718ATOM 417 N ND2 . ASN A 1 49 ? -13.755 2.565 14.791 1.00 16.97 ? 67 ASN A ND2 1
1719ATOM 418 N N . ASP A 1 50 ? -18.418 2.027 14.629 1.00 19.18 ? 68 ASP A N 1
1720ATOM 419 C CA . ASP A 1 50 ? -19.526 1.629 13.717 1.00 21.73 ? 68 ASP A CA 1
1721ATOM 420 C C . ASP A 1 50 ? -18.960 1.225 12.348 1.00 20.55 ? 68 ASP A C 1
1722ATOM 421 O O . ASP A 1 50 ? -19.735 1.079 11.427 1.00 19.98 ? 68 ASP A O 1
1723ATOM 422 C CB . ASP A 1 50 ? -20.656 2.665 13.711 1.00 25.58 ? 68 ASP A CB 1
1724ATOM 423 C CG . ASP A 1 50 ? -20.252 4.069 13.295 1.00 30.16 ? 68 ASP A CG 1
1725ATOM 424 O OD1 . ASP A 1 50 ? -19.267 4.193 12.514 1.00 30.58 ? 68 ASP A OD1 1
1726ATOM 425 O OD2 . ASP A 1 50 ? -20.936 5.042 13.757 1.00 32.85 ? 68 ASP A OD2 1
1727ATOM 426 N N . TRP A 1 51 ? -17.658 0.945 12.233 1.00 21.21 ? 69 TRP A N 1
1728ATOM 427 C CA . TRP A 1 51 ? -17.122 0.197 11.060 1.00 21.71 ? 69 TRP A CA 1
1729ATOM 428 C C . TRP A 1 51 ? -17.923 -1.107 10.869 1.00 21.13 ? 69 TRP A C 1
1730ATOM 429 O O . TRP A 1 51 ? -18.059 -1.858 11.863 1.00 19.39 ? 69 TRP A O 1
1731ATOM 430 C CB . TRP A 1 51 ? -15.635 -0.096 11.239 1.00 21.84 ? 69 TRP A CB 1
1732ATOM 431 C CG . TRP A 1 51 ? -14.943 -0.620 10.016 1.00 22.33 ? 69 TRP A CG 1
1733ATOM 432 C CD1 . TRP A 1 51 ? -15.014 -0.138 8.735 1.00 23.20 ? 69 TRP A CD1 1
1734ATOM 433 C CD2 . TRP A 1 51 ? -13.980 -1.688 9.984 1.00 22.93 ? 69 TRP A CD2 1
1735ATOM 434 N NE1 . TRP A 1 51 ? -14.179 -0.845 7.909 1.00 22.80 ? 69 TRP A NE1 1
1736ATOM 435 C CE2 . TRP A 1 51 ? -13.546 -1.816 8.641 1.00 23.32 ? 69 TRP A CE2 1
1737ATOM 436 C CE3 . TRP A 1 51 ? -13.452 -2.547 10.956 1.00 22.49 ? 69 TRP A CE3 1
1738ATOM 437 C CZ2 . TRP A 1 51 ? -12.596 -2.763 8.257 1.00 22.82 ? 69 TRP A CZ2 1
1739ATOM 438 C CZ3 . TRP A 1 51 ? -12.521 -3.482 10.572 1.00 22.59 ? 69 TRP A CZ3 1
1740ATOM 439 C CH2 . TRP A 1 51 ? -12.101 -3.588 9.242 1.00 22.85 ? 69 TRP A CH2 1
1741ATOM 440 N N . THR A 1 52 ? -18.425 -1.349 9.647 1.00 18.75 ? 70 THR A N 1
1742ATOM 441 C CA . THR A 1 52 ? -19.235 -2.535 9.249 1.00 18.56 ? 70 THR A CA 1
1743ATOM 442 C C . THR A 1 52 ? -18.290 -3.645 8.783 1.00 16.87 ? 70 THR A C 1
1744ATOM 443 O O . THR A 1 52 ? -18.757 -4.764 8.509 1.00 15.94 ? 70 THR A O 1
1745ATOM 444 C CB . THR A 1 52 ? -20.270 -2.158 8.180 1.00 18.40 ? 70 THR A CB 1
1746ATOM 445 O OG1 . THR A 1 52 ? -19.555 -1.793 7.001 1.00 18.59 ? 70 THR A OG1 1
1747ATOM 446 C CG2 . THR A 1 52 ? -21.150 -1.002 8.612 1.00 19.19 ? 70 THR A CG2 1
1748ATOM 447 N N . GLY A 1 53 ? -17.001 -3.333 8.706 1.00 16.67 ? 71 GLY A N 1
1749ATOM 448 C CA . GLY A 1 53 ? -15.914 -4.323 8.562 1.00 16.18 ? 71 GLY A CA 1
1750ATOM 449 C C . GLY A 1 53 ? -15.285 -4.314 7.175 1.00 14.82 ? 71 GLY A C 1
1751ATOM 450 O O . GLY A 1 53 ? -15.637 -3.521 6.310 1.00 14.02 ? 71 GLY A O 1
1752ATOM 451 N N . PRO A 1 54 ? -14.311 -5.215 6.947 1.00 14.81 ? 72 PRO A N 1
1753ATOM 452 C CA . PRO A 1 54 ? -13.532 -5.239 5.719 1.00 14.26 ? 72 PRO A CA 1
1754ATOM 453 C C . PRO A 1 54 ? -14.103 -6.112 4.601 1.00 14.08 ? 72 PRO A C 1
1755ATOM 454 O O . PRO A 1 54 ? -14.933 -6.973 4.852 1.00 13.54 ? 72 PRO A O 1
1756ATOM 455 C CB . PRO A 1 54 ? -12.253 -5.889 6.236 1.00 15.36 ? 72 PRO A CB 1
1757ATOM 456 C CG . PRO A 1 54 ? -12.756 -6.939 7.177 1.00 15.23 ? 72 PRO A CG 1
1758ATOM 457 C CD . PRO A 1 54 ? -13.900 -6.260 7.894 1.00 15.57 ? 72 PRO A CD 1
1759ATOM 458 N N . GLY A 1 55 ? -13.616 -5.897 3.383 1.00 14.42 ? 73 GLY A N 1
1760ATOM 459 C CA . GLY A 1 55 ? -14.041 -6.673 2.200 1.00 14.81 ? 73 GLY A CA 1
1761ATOM 460 C C . GLY A 1 55 ? -15.552 -6.774 2.122 1.00 14.69 ? 73 GLY A C 1
1762ATOM 461 O O . GLY A 1 55 ? -16.211 -5.740 2.181 1.00 13.92 ? 73 GLY A O 1
1763ATOM 462 N N . LEU A 1 56 ? -16.088 -7.985 2.041 1.00 15.17 ? 74 LEU A N 1
1764ATOM 463 C CA . LEU A 1 56 ? -17.543 -8.212 1.898 1.00 15.99 ? 74 LEU A CA 1
1765ATOM 464 C C . LEU A 1 56 ? -18.169 -8.434 3.282 1.00 16.24 ? 74 LEU A C 1
1766ATOM 465 O O . LEU A 1 56 ? -19.338 -8.795 3.329 1.00 16.34 ? 74 LEU A O 1
1767ATOM 466 C CB . LEU A 1 56 ? -17.750 -9.401 0.951 1.00 17.17 ? 74 LEU A CB 1
1768ATOM 467 C CG . LEU A 1 56 ? -17.109 -9.258 -0.435 1.00 16.93 ? 74 LEU A CG 1
1769ATOM 468 C CD1 . LEU A 1 56 ? -17.302 -10.523 -1.258 1.00 17.64 ? 74 LEU A CD1 1
1770ATOM 469 C CD2 . LEU A 1 56 ? -17.662 -8.063 -1.180 1.00 17.28 ? 74 LEU A CD2 1
1771ATOM 470 N N . SER A 1 57 ? -17.442 -8.160 4.370 1.00 15.74 ? 75 SER A N 1
1772ATOM 471 C CA . SER A 1 57 ? -17.959 -8.294 5.754 1.00 15.63 ? 75 SER A CA 1
1773ATOM 472 C C . SER A 1 57 ? -19.041 -7.242 6.015 1.00 15.72 ? 75 SER A C 1
1774ATOM 473 O O . SER A 1 57 ? -18.851 -6.066 5.643 1.00 16.69 ? 75 SER A O 1
1775ATOM 474 C CB . SER A 1 57 ? -16.867 -8.194 6.800 1.00 15.01 ? 75 SER A CB 1
1776ATOM 475 O OG . SER A 1 57 ? -15.783 -9.073 6.530 1.00 15.52 ? 75 SER A OG 1
1777ATOM 476 N N . HIS A 1 58 ? -20.090 -7.631 6.734 1.00 15.57 ? 76 HIS A N 1
1778ATOM 477 C CA . HIS A 1 58 ? -21.047 -6.703 7.387 1.00 15.64 ? 76 HIS A CA 1
1779ATOM 478 C C . HIS A 1 58 ? -21.262 -7.157 8.839 1.00 15.13 ? 76 HIS A C 1
1780ATOM 479 O O . HIS A 1 58 ? -22.016 -8.118 9.081 1.00 12.85 ? 76 HIS A O 1
1781ATOM 480 C CB . HIS A 1 58 ? -22.363 -6.584 6.603 1.00 16.59 ? 76 HIS A CB 1
1782ATOM 481 C CG . HIS A 1 58 ? -23.219 -5.462 7.095 1.00 17.10 ? 76 HIS A CG 1
1783ATOM 482 N ND1 . HIS A 1 58 ? -23.343 -4.268 6.407 1.00 19.06 ? 76 HIS A ND1 1
1784ATOM 483 C CD2 . HIS A 1 58 ? -23.977 -5.334 8.206 1.00 18.83 ? 76 HIS A CD2 1
1785ATOM 484 C CE1 . HIS A 1 58 ? -24.154 -3.456 7.070 1.00 19.40 ? 76 HIS A CE1 1
1786ATOM 485 N NE2 . HIS A 1 58 ? -24.560 -4.084 8.179 1.00 19.20 ? 76 HIS A NE2 1
1787ATOM 486 N N . PHE A 1 59 ? -20.575 -6.498 9.768 1.00 14.82 ? 77 PHE A N 1
1788ATOM 487 C CA . PHE A 1 59 ? -20.602 -6.837 11.210 1.00 15.28 ? 77 PHE A CA 1
1789ATOM 488 C C . PHE A 1 59 ? -22.047 -6.841 11.676 1.00 14.37 ? 77 PHE A C 1
1790ATOM 489 O O . PHE A 1 59 ? -22.736 -5.885 11.336 1.00 16.37 ? 77 PHE A O 1
1791ATOM 490 C CB . PHE A 1 59 ? -19.752 -5.867 12.027 1.00 14.16 ? 77 PHE A CB 1
1792ATOM 491 C CG . PHE A 1 59 ? -18.276 -6.093 11.924 1.00 13.51 ? 77 PHE A CG 1
1793ATOM 492 C CD1 . PHE A 1 59 ? -17.758 -7.377 11.870 1.00 13.28 ? 77 PHE A CD1 1
1794ATOM 493 C CD2 . PHE A 1 59 ? -17.401 -5.019 11.950 1.00 13.36 ? 77 PHE A CD2 1
1795ATOM 494 C CE1 . PHE A 1 59 ? -16.388 -7.582 11.809 1.00 12.59 ? 77 PHE A CE1 1
1796ATOM 495 C CE2 . PHE A 1 59 ? -16.033 -5.223 11.895 1.00 13.54 ? 77 PHE A CE2 1
1797ATOM 496 C CZ . PHE A 1 59 ? -15.531 -6.505 11.816 1.00 13.40 ? 77 PHE A CZ 1
1798ATOM 497 N N . SER A 1 60 ? -22.464 -7.888 12.391 1.00 14.21 ? 78 SER A N 1
1799ATOM 498 C CA . SER A 1 60 ? -23.877 -8.135 12.791 1.00 14.31 ? 78 SER A CA 1
1800ATOM 499 C C . SER A 1 60 ? -23.937 -8.545 14.252 1.00 13.98 ? 78 SER A C 1
1801ATOM 500 O O . SER A 1 60 ? -23.329 -9.558 14.606 1.00 14.81 ? 78 SER A O 1
1802ATOM 501 C CB . SER A 1 60 ? -24.517 -9.195 11.936 1.00 14.93 ? 78 SER A CB 1
1803ATOM 502 O OG . SER A 1 60 ? -25.765 -9.571 12.486 1.00 15.20 ? 78 SER A OG 1
1804ATOM 503 N N . SER A 1 61 ? -24.651 -7.776 15.051 1.00 14.08 ? 79 SER A N 1
1805ATOM 504 C CA . SER A 1 61 ? -24.947 -8.081 16.463 1.00 15.12 ? 79 SER A CA 1
1806ATOM 505 C C . SER A 1 61 ? -25.623 -9.440 16.554 1.00 15.52 ? 79 SER A C 1
1807ATOM 506 O O . SER A 1 61 ? -25.388 -10.134 17.531 1.00 15.85 ? 79 SER A O 1
1808ATOM 507 C CB . SER A 1 61 ? -25.787 -7.012 17.051 1.00 16.21 ? 79 SER A CB 1
1809ATOM 508 O OG . SER A 1 61 ? -24.975 -5.892 17.317 1.00 18.76 ? 79 SER A OG 1
1810ATOM 509 N N . ASN A 1 62 ? -26.388 -9.810 15.529 1.00 16.31 ? 80 ASN A N 1
1811ATOM 510 C CA . ASN A 1 62 ? -27.259 -11.017 15.535 1.00 17.11 ? 80 ASN A CA 1
1812ATOM 511 C C . ASN A 1 62 ? -26.434 -12.257 15.137 1.00 15.93 ? 80 ASN A C 1
1813ATOM 512 O O . ASN A 1 62 ? -27.003 -13.350 15.089 1.00 15.57 ? 80 ASN A O 1
1814ATOM 513 C CB . ASN A 1 62 ? -28.506 -10.763 14.677 1.00 17.52 ? 80 ASN A CB 1
1815ATOM 514 C CG . ASN A 1 62 ? -29.462 -9.797 15.350 1.00 18.97 ? 80 ASN A CG 1
1816ATOM 515 O OD1 . ASN A 1 62 ? -30.151 -10.157 16.307 1.00 19.03 ? 80 ASN A OD1 1
1817ATOM 516 N ND2 . ASN A 1 62 ? -29.484 -8.560 14.883 1.00 19.42 ? 80 ASN A ND2 1
1818ATOM 517 N N . HIS A 1 63 ? -25.148 -12.098 14.832 1.00 15.49 ? 81 HIS A N 1
1819ATOM 518 C CA . HIS A 1 63 ? -24.273 -13.213 14.379 1.00 15.15 ? 81 HIS A CA 1
1820ATOM 519 C C . HIS A 1 63 ? -23.287 -13.607 15.491 1.00 14.26 ? 81 HIS A C 1
1821ATOM 520 O O . HIS A 1 63 ? -22.356 -14.401 15.208 1.00 14.74 ? 81 HIS A O 1
1822ATOM 521 C CB . HIS A 1 63 ? -23.723 -12.871 12.995 1.00 15.20 ? 81 HIS A CB 1
1823ATOM 522 C CG . HIS A 1 63 ? -24.790 -13.041 11.968 1.00 17.26 ? 81 HIS A CG 1
1824ATOM 523 N ND1 . HIS A 1 63 ? -25.693 -12.041 11.673 1.00 18.38 ? 81 HIS A ND1 1
1825ATOM 524 C CD2 . HIS A 1 63 ? -25.185 -14.131 11.271 1.00 17.38 ? 81 HIS A CD2 1
1826ATOM 525 C CE1 . HIS A 1 63 ? -26.558 -12.491 10.789 1.00 18.47 ? 81 HIS A CE1 1
1827ATOM 526 N NE2 . HIS A 1 63 ? -26.256 -13.775 10.520 1.00 18.01 ? 81 HIS A NE2 1
1828ATOM 527 N N . SER A 1 64 ? -23.549 -13.163 16.723 1.00 12.84 ? 82 SER A N 1
1829ATOM 528 C CA . SER A 1 64 ? -23.002 -13.741 17.966 1.00 12.91 ? 82 SER A CA 1
1830ATOM 529 C C . SER A 1 64 ? -24.140 -14.347 18.802 1.00 14.96 ? 82 SER A C 1
1831ATOM 530 O O . SER A 1 64 ? -25.105 -13.597 19.136 1.00 14.48 ? 82 SER A O 1
1832ATOM 531 C CB . SER A 1 64 ? -22.223 -12.724 18.729 1.00 12.55 ? 82 SER A CB 1
1833ATOM 532 O OG . SER A 1 64 ? -22.989 -11.574 19.045 1.00 11.44 ? 82 SER A OG 1
1834ATOM 533 N N . ILE A 1 65 ? -24.002 -15.636 19.146 1.00 16.45 ? 83 ILE A N 1
1835ATOM 534 C CA . ILE A 1 65 ? -24.969 -16.491 19.908 1.00 19.22 ? 83 ILE A CA 1
1836ATOM 535 C C . ILE A 1 65 ? -24.265 -17.066 21.145 1.00 18.89 ? 83 ILE A C 1
1837ATOM 536 O O . ILE A 1 65 ? -23.071 -17.452 21.023 1.00 17.93 ? 83 ILE A O 1
1838ATOM 537 C CB . ILE A 1 65 ? -25.485 -17.648 19.023 1.00 21.03 ? 83 ILE A CB 1
1839ATOM 538 C CG1 . ILE A 1 65 ? -26.260 -17.149 17.809 1.00 22.44 ? 83 ILE A CG1 1
1840ATOM 539 C CG2 . ILE A 1 65 ? -26.295 -18.658 19.815 1.00 23.37 ? 83 ILE A CG2 1
1841ATOM 540 C CD1 . ILE A 1 65 ? -27.125 -15.955 18.094 1.00 22.97 ? 83 ILE A CD1 1
1842ATOM 541 N N . LEU A 1 66 ? -24.992 -17.207 22.260 1.00 17.58 ? 84 LEU A N 1
1843ATOM 542 C CA . LEU A 1 66 ? -24.549 -18.047 23.403 1.00 18.26 ? 84 LEU A CA 1
1844ATOM 543 C C . LEU A 1 66 ? -25.284 -19.396 23.355 1.00 19.81 ? 84 LEU A C 1
1845ATOM 544 O O . LEU A 1 66 ? -26.505 -19.401 23.247 1.00 22.07 ? 84 LEU A O 1
1846ATOM 545 C CB . LEU A 1 66 ? -24.764 -17.287 24.712 1.00 17.62 ? 84 LEU A CB 1
1847ATOM 546 C CG . LEU A 1 66 ? -23.607 -16.369 25.121 1.00 17.55 ? 84 LEU A CG 1
1848ATOM 547 C CD1 . LEU A 1 66 ? -22.371 -17.162 25.493 1.00 17.35 ? 84 LEU A CD1 1
1849ATOM 548 C CD2 . LEU A 1 66 ? -23.266 -15.383 24.023 1.00 17.76 ? 84 LEU A CD2 1
1850ATOM 549 N N . LYS A 1 67 ? -24.544 -20.503 23.378 1.00 21.52 ? 85 LYS A N 1
1851ATOM 550 C CA . LYS A 1 67 ? -25.116 -21.859 23.211 1.00 22.19 ? 85 LYS A CA 1
1852ATOM 551 C C . LYS A 1 67 ? -24.160 -22.914 23.786 1.00 21.96 ? 85 LYS A C 1
1853ATOM 552 O O . LYS A 1 67 ? -23.035 -23.123 23.221 1.00 18.54 ? 85 LYS A O 1
1854ATOM 553 C CB . LYS A 1 67 ? -25.386 -22.113 21.728 1.00 24.45 ? 85 LYS A CB 1
1855ATOM 554 C CG . LYS A 1 67 ? -26.310 -23.281 21.421 1.00 28.39 ? 85 LYS A CG 1
1856ATOM 555 C CD . LYS A 1 67 ? -26.898 -23.185 20.027 1.00 30.95 ? 85 LYS A CD 1
1857ATOM 556 C CE . LYS A 1 67 ? -27.578 -24.457 19.576 1.00 34.53 ? 85 LYS A CE 1
1858ATOM 557 N NZ . LYS A 1 67 ? -26.616 -25.579 19.499 1.00 36.00 ? 85 LYS A NZ 1
1859ATOM 558 N N . ASP A 1 68 ? -24.616 -23.575 24.854 1.00 20.06 ? 86 ASP A N 1
1860ATOM 559 C CA . ASP A 1 68 ? -24.073 -24.870 25.330 1.00 20.23 ? 86 ASP A CA 1
1861ATOM 560 C C . ASP A 1 68 ? -22.610 -24.706 25.759 1.00 17.54 ? 86 ASP A C 1
1862ATOM 561 O O . ASP A 1 68 ? -21.855 -25.632 25.530 1.00 17.16 ? 86 ASP A O 1
1863ATOM 562 C CB . ASP A 1 68 ? -24.197 -25.947 24.250 1.00 22.35 ? 86 ASP A CB 1
1864ATOM 563 C CG . ASP A 1 68 ? -25.623 -26.267 23.831 1.00 25.62 ? 86 ASP A CG 1
1865ATOM 564 O OD1 . ASP A 1 68 ? -26.587 -25.967 24.609 1.00 31.54 ? 86 ASP A OD1 1
1866ATOM 565 O OD2 . ASP A 1 68 ? -25.767 -26.784 22.725 1.00 25.65 ? 86 ASP A OD2 1
1867ATOM 566 N N . GLY A 1 69 ? -22.257 -23.575 26.374 1.00 15.55 ? 87 GLY A N 1
1868ATOM 567 C CA . GLY A 1 69 ? -20.907 -23.286 26.896 1.00 14.95 ? 87 GLY A CA 1
1869ATOM 568 C C . GLY A 1 69 ? -19.985 -22.606 25.892 1.00 13.59 ? 87 GLY A C 1
1870ATOM 569 O O . GLY A 1 69 ? -18.815 -22.396 26.249 1.00 13.94 ? 87 GLY A O 1
1871ATOM 570 N N . ASN A 1 70 ? -20.467 -22.273 24.692 1.00 12.63 ? 88 ASN A N 1
1872ATOM 571 C CA . ASN A 1 70 ? -19.682 -21.545 23.665 1.00 12.63 ? 88 ASN A CA 1
1873ATOM 572 C C . ASN A 1 70 ? -20.325 -20.199 23.356 1.00 12.26 ? 88 ASN A C 1
1874ATOM 573 O O . ASN A 1 70 ? -21.596 -20.097 23.359 1.00 12.25 ? 88 ASN A O 1
1875ATOM 574 C CB . ASN A 1 70 ? -19.498 -22.362 22.386 1.00 13.20 ? 88 ASN A CB 1
1876ATOM 575 C CG . ASN A 1 70 ? -18.762 -23.661 22.660 1.00 13.97 ? 88 ASN A CG 1
1877ATOM 576 O OD1 . ASN A 1 70 ? -17.682 -23.661 23.259 1.00 14.56 ? 88 ASN A OD1 1
1878ATOM 577 N ND2 . ASN A 1 70 ? -19.362 -24.767 22.261 1.00 13.28 ? 88 ASN A ND2 1
1879ATOM 578 N N . LEU A 1 71 ? -19.470 -19.203 23.133 1.00 11.44 ? 89 LEU A N 1
1880ATOM 579 C CA . LEU A 1 71 ? -19.773 -18.083 22.214 1.00 11.78 ? 89 LEU A CA 1
1881ATOM 580 C C . LEU A 1 71 ? -19.634 -18.654 20.801 1.00 11.04 ? 89 LEU A C 1
1882ATOM 581 O O . LEU A 1 71 ? -18.593 -19.185 20.482 1.00 10.93 ? 89 LEU A O 1
1883ATOM 582 C CB . LEU A 1 71 ? -18.832 -16.899 22.459 1.00 12.16 ? 89 LEU A CB 1
1884ATOM 583 C CG . LEU A 1 71 ? -18.791 -15.845 21.349 1.00 13.08 ? 89 LEU A CG 1
1885ATOM 584 C CD1 . LEU A 1 71 ? -20.133 -15.148 21.227 1.00 13.62 ? 89 LEU A CD1 1
1886ATOM 585 C CD2 . LEU A 1 71 ? -17.697 -14.818 21.592 1.00 13.75 ? 89 LEU A CD2 1
1887ATOM 586 N N . GLU A 1 72 ? -20.685 -18.589 20.007 1.00 11.57 ? 90 GLU A N 1
1888ATOM 587 C CA . GLU A 1 72 ? -20.656 -19.026 18.598 1.00 11.97 ? 90 GLU A CA 1
1889ATOM 588 C C . GLU A 1 72 ? -20.613 -17.770 17.751 1.00 11.96 ? 90 GLU A C 1
1890ATOM 589 O O . GLU A 1 72 ? -21.470 -16.883 17.948 1.00 10.75 ? 90 GLU A O 1
1891ATOM 590 C CB . GLU A 1 72 ? -21.886 -19.836 18.221 1.00 12.67 ? 90 GLU A CB 1
1892ATOM 591 C CG . GLU A 1 72 ? -22.037 -21.176 18.941 1.00 13.51 ? 90 GLU A CG 1
1893ATOM 592 C CD . GLU A 1 72 ? -23.185 -22.041 18.394 1.00 14.05 ? 90 GLU A CD 1
1894ATOM 593 O OE1 . GLU A 1 72 ? -23.838 -21.620 17.392 1.00 14.09 ? 90 GLU A OE1 1
1895ATOM 594 O OE2 . GLU A 1 72 ? -23.396 -23.144 18.921 1.00 14.73 ? 90 GLU A OE2 1
1896ATOM 595 N N . ILE A 1 73 ? -19.632 -17.694 16.871 1.00 12.10 ? 91 ILE A N 1
1897ATOM 596 C CA . ILE A 1 73 ? -19.515 -16.574 15.904 1.00 12.59 ? 91 ILE A CA 1
1898ATOM 597 C C . ILE A 1 73 ? -20.021 -17.073 14.559 1.00 12.57 ? 91 ILE A C 1
1899ATOM 598 O O . ILE A 1 73 ? -19.336 -17.904 13.959 1.00 11.28 ? 91 ILE A O 1
1900ATOM 599 C CB . ILE A 1 73 ? -18.073 -16.063 15.826 1.00 13.25 ? 91 ILE A CB 1
1901ATOM 600 C CG1 . ILE A 1 73 ? -17.646 -15.456 17.159 1.00 13.46 ? 91 ILE A CG1 1
1902ATOM 601 C CG2 . ILE A 1 73 ? -17.926 -15.069 14.667 1.00 13.57 ? 91 ILE A CG2 1
1903ATOM 602 C CD1 . ILE A 1 73 ? -18.294 -14.123 17.442 1.00 13.55 ? 91 ILE A CD1 1
1904ATOM 603 N N . LYS A 1 74 ? -21.180 -16.566 14.137 1.00 14.26 ? 92 LYS A N 1
1905ATOM 604 C CA . LYS A 1 74 ? -21.940 -17.036 12.947 1.00 16.64 ? 92 LYS A CA 1
1906ATOM 605 C C . LYS A 1 74 ? -21.573 -16.213 11.701 1.00 17.60 ? 92 LYS A C 1
1907ATOM 606 O O . LYS A 1 74 ? -20.974 -15.106 11.823 1.00 18.36 ? 92 LYS A O 1
1908ATOM 607 C CB . LYS A 1 74 ? -23.451 -16.969 13.226 1.00 17.96 ? 92 LYS A CB 1
1909ATOM 608 C CG . LYS A 1 74 ? -23.944 -17.704 14.472 1.00 19.28 ? 92 LYS A CG 1
1910ATOM 609 C CD . LYS A 1 74 ? -23.696 -19.181 14.431 1.00 21.09 ? 92 LYS A CD 1
1911ATOM 610 C CE . LYS A 1 74 ? -24.939 -20.032 14.566 1.00 22.47 ? 92 LYS A CE 1
1912ATOM 611 N NZ . LYS A 1 74 ? -24.596 -21.462 14.358 1.00 23.02 ? 92 LYS A NZ 1
1913ATOM 612 N N . ALA A 1 75 ? -21.928 -16.744 10.531 1.00 18.28 ? 93 ALA A N 1
1914ATOM 613 C CA . ALA A 1 75 ? -21.847 -16.071 9.218 1.00 20.38 ? 93 ALA A CA 1
1915ATOM 614 C C . ALA A 1 75 ? -23.076 -16.448 8.372 1.00 23.54 ? 93 ALA A C 1
1916ATOM 615 O O . ALA A 1 75 ? -23.456 -17.645 8.356 1.00 24.80 ? 93 ALA A O 1
1917ATOM 616 C CB . ALA A 1 75 ? -20.560 -16.470 8.542 1.00 20.72 ? 93 ALA A CB 1
1918ATOM 617 N N . GLU A 1 76 ? -23.669 -15.463 7.689 1.00 25.79 ? 94 GLU A N 1
1919ATOM 618 C CA . GLU A 1 76 ? -24.858 -15.621 6.809 1.00 25.68 ? 94 GLU A CA 1
1920ATOM 619 C C . GLU A 1 76 ? -24.659 -14.759 5.557 1.00 26.07 ? 94 GLU A C 1
1921ATOM 620 O O . GLU A 1 76 ? -23.988 -13.707 5.647 1.00 23.50 ? 94 GLU A O 1
1922ATOM 621 C CB . GLU A 1 76 ? -26.108 -15.233 7.598 1.00 28.27 ? 94 GLU A CB 1
1923ATOM 622 C CG . GLU A 1 76 ? -27.412 -15.840 7.085 1.00 30.82 ? 94 GLU A CG 1
1924ATOM 623 C CD . GLU A 1 76 ? -28.630 -15.543 7.955 1.00 33.55 ? 94 GLU A CD 1
1925ATOM 624 O OE1 . GLU A 1 76 ? -28.455 -14.934 9.038 1.00 31.75 ? 94 GLU A OE1 1
1926ATOM 625 O OE2 . GLU A 1 76 ? -29.764 -15.927 7.555 1.00 38.60 ? 94 GLU A OE2 1
1927ATOM 626 N N . ARG A 1 77 ? -25.203 -15.193 4.418 1.00 26.29 ? 95 ARG A N 1
1928ATOM 627 C CA . ARG A 1 77 ? -25.300 -14.344 3.208 1.00 25.05 ? 95 ARG A CA 1
1929ATOM 628 C C . ARG A 1 77 ? -26.061 -13.075 3.587 1.00 23.84 ? 95 ARG A C 1
1930ATOM 629 O O . ARG A 1 77 ? -27.114 -13.202 4.198 1.00 22.53 ? 95 ARG A O 1
1931ATOM 630 C CB . ARG A 1 77 ? -26.029 -15.079 2.076 1.00 26.07 ? 95 ARG A CB 1
1932ATOM 631 C CG . ARG A 1 77 ? -26.227 -14.249 0.813 1.00 23.86 ? 95 ARG A CG 1
1933ATOM 632 C CD . ARG A 1 77 ? -24.893 -13.782 0.287 1.00 23.46 ? 95 ARG A CD 1
1934ATOM 633 N NE . ARG A 1 77 ? -24.092 -14.918 -0.125 1.00 23.11 ? 95 ARG A NE 1
1935ATOM 634 C CZ . ARG A 1 77 ? -22.759 -14.962 -0.178 1.00 24.03 ? 95 ARG A CZ 1
1936ATOM 635 N NH1 . ARG A 1 77 ? -22.016 -13.920 0.175 1.00 23.19 ? 95 ARG A NH1 1
1937ATOM 636 N NH2 . ARG A 1 77 ? -22.170 -16.075 -0.585 1.00 23.95 ? 95 ARG A NH2 1
1938ATOM 637 N N . LYS A 1 78 ? -25.492 -11.904 3.319 1.00 25.08 ? 96 LYS A N 1
1939ATOM 638 C CA . LYS A 1 78 ? -26.238 -10.624 3.247 1.00 27.13 ? 96 LYS A CA 1
1940ATOM 639 C C . LYS A 1 78 ? -26.435 -10.300 1.763 1.00 27.72 ? 96 LYS A C 1
1941ATOM 640 O O . LYS A 1 78 ? -25.498 -9.920 1.062 1.00 23.76 ? 96 LYS A O 1
1942ATOM 641 C CB . LYS A 1 78 ? -25.498 -9.530 4.007 1.00 27.94 ? 96 LYS A CB 1
1943ATOM 642 C CG . LYS A 1 78 ? -26.181 -8.173 3.984 1.00 28.86 ? 96 LYS A CG 1
1944ATOM 643 C CD . LYS A 1 78 ? -25.168 -7.037 3.916 1.00 31.03 ? 96 LYS A CD 1
1945ATOM 644 C CE . LYS A 1 78 ? -25.632 -5.754 4.570 1.00 31.42 ? 96 LYS A CE 1
1946ATOM 645 N NZ . LYS A 1 78 ? -26.925 -5.296 4.019 1.00 30.83 ? 96 LYS A NZ 1
1947ATOM 646 N N . PRO A 1 79 ? -27.647 -10.536 1.214 1.00 30.75 ? 97 PRO A N 1
1948ATOM 647 C CA . PRO A 1 79 ? -27.855 -10.461 -0.228 1.00 33.31 ? 97 PRO A CA 1
1949ATOM 648 C C . PRO A 1 79 ? -27.478 -9.061 -0.683 1.00 32.41 ? 97 PRO A C 1
1950ATOM 649 O O . PRO A 1 79 ? -27.784 -8.108 0.028 1.00 33.41 ? 97 PRO A O 1
1951ATOM 650 C CB . PRO A 1 79 ? -29.349 -10.746 -0.420 1.00 34.41 ? 97 PRO A CB 1
1952ATOM 651 C CG . PRO A 1 79 ? -29.761 -11.458 0.859 1.00 33.76 ? 97 PRO A CG 1
1953ATOM 652 C CD . PRO A 1 79 ? -28.888 -10.858 1.939 1.00 32.57 ? 97 PRO A CD 1
1954ATOM 653 N N . PRO A 1 80 ? -26.838 -8.904 -1.866 1.00 32.52 ? 98 PRO A N 1
1955ATOM 654 C CA . PRO A 1 80 ? -26.629 -10.000 -2.813 1.00 33.30 ? 98 PRO A CA 1
1956ATOM 655 C C . PRO A 1 80 ? -25.357 -10.836 -2.623 1.00 36.38 ? 98 PRO A C 1
1957ATOM 656 O O . PRO A 1 80 ? -25.436 -12.039 -2.825 1.00 38.88 ? 98 PRO A O 1
1958ATOM 657 C CB . PRO A 1 80 ? -26.490 -9.320 -4.182 1.00 31.95 ? 98 PRO A CB 1
1959ATOM 658 C CG . PRO A 1 80 ? -26.557 -7.834 -3.907 1.00 32.42 ? 98 PRO A CG 1
1960ATOM 659 C CD . PRO A 1 80 ? -26.361 -7.636 -2.415 1.00 32.62 ? 98 PRO A CD 1
1961ATOM 660 N N . ASN A 1 81 ? -24.226 -10.203 -2.286 1.00 35.22 ? 99 ASN A N 1
1962ATOM 661 C CA . ASN A 1 81 ? -22.895 -10.867 -2.309 1.00 35.85 ? 99 ASN A CA 1
1963ATOM 662 C C . ASN A 1 81 ? -22.076 -10.571 -1.039 1.00 32.56 ? 99 ASN A C 1
1964ATOM 663 O O . ASN A 1 81 ? -20.860 -10.809 -1.084 1.00 32.18 ? 99 ASN A O 1
1965ATOM 664 C CB . ASN A 1 81 ? -22.115 -10.443 -3.556 1.00 37.41 ? 99 ASN A CB 1
1966ATOM 665 C CG . ASN A 1 81 ? -21.708 -8.985 -3.514 1.00 38.90 ? 99 ASN A CG 1
1967ATOM 666 O OD1 . ASN A 1 81 ? -22.330 -8.176 -2.822 1.00 41.26 ? 99 ASN A OD1 1
1968ATOM 667 N ND2 . ASN A 1 81 ? -20.658 -8.646 -4.243 1.00 39.10 ? 99 ASN A ND2 1
1969ATOM 668 N N . LYS A 1 82 ? -22.691 -10.093 0.049 1.00 30.99 ? 100 LYS A N 1
1970ATOM 669 C CA . LYS A 1 82 ? -21.961 -9.741 1.298 1.00 28.35 ? 100 LYS A CA 1
1971ATOM 670 C C . LYS A 1 82 ? -22.141 -10.862 2.334 1.00 26.72 ? 100 LYS A C 1
1972ATOM 671 O O . LYS A 1 82 ? -22.870 -11.842 2.060 1.00 24.93 ? 100 LYS A O 1
1973ATOM 672 C CB . LYS A 1 82 ? -22.371 -8.335 1.750 1.00 29.63 ? 100 LYS A CB 1
1974ATOM 673 C CG . LYS A 1 82 ? -21.770 -7.229 0.875 1.00 32.60 ? 100 LYS A CG 1
1975ATOM 674 C CD . LYS A 1 82 ? -22.071 -5.792 1.267 1.00 35.39 ? 100 LYS A CD 1
1976ATOM 675 C CE . LYS A 1 82 ? -21.325 -5.308 2.498 1.00 41.49 ? 100 LYS A CE 1
1977ATOM 676 N NZ . LYS A 1 82 ? -19.989 -4.732 2.189 1.00 44.81 ? 100 LYS A NZ 1
1978ATOM 677 N N . VAL A 1 83 ? -21.440 -10.754 3.466 1.00 24.91 ? 101 VAL A N 1
1979ATOM 678 C CA . VAL A 1 83 ? -21.430 -11.771 4.558 1.00 21.28 ? 101 VAL A CA 1
1980ATOM 679 C C . VAL A 1 83 ? -21.631 -11.049 5.894 1.00 20.65 ? 101 VAL A C 1
1981ATOM 680 O O . VAL A 1 83 ? -20.706 -10.340 6.351 1.00 20.52 ? 101 VAL A O 1
1982ATOM 681 C CB . VAL A 1 83 ? -20.124 -12.592 4.589 1.00 20.88 ? 101 VAL A CB 1
1983ATOM 682 C CG1 . VAL A 1 83 ? -20.213 -13.729 5.603 1.00 19.78 ? 101 VAL A CG1 1
1984ATOM 683 C CG2 . VAL A 1 83 ? -19.715 -13.115 3.221 1.00 19.87 ? 101 VAL A CG2 1
1985ATOM 684 N N . TYR A 1 84 ? -22.790 -11.244 6.510 1.00 20.16 ? 102 TYR A N 1
1986ATOM 685 C CA . TYR A 1 84 ? -23.019 -10.934 7.936 1.00 19.36 ? 102 TYR A CA 1
1987ATOM 686 C C . TYR A 1 84 ? -21.954 -11.692 8.738 1.00 17.91 ? 102 TYR A C 1
1988ATOM 687 O O . TYR A 1 84 ? -21.803 -12.906 8.534 1.00 18.00 ? 102 TYR A O 1
1989ATOM 688 C CB . TYR A 1 84 ? -24.433 -11.323 8.351 1.00 20.28 ? 102 TYR A CB 1
1990ATOM 689 C CG . TYR A 1 84 ? -25.547 -10.431 7.859 1.00 23.07 ? 102 TYR A CG 1
1991ATOM 690 C CD1 . TYR A 1 84 ? -25.586 -9.076 8.157 1.00 23.79 ? 102 TYR A CD1 1
1992ATOM 691 C CD2 . TYR A 1 84 ? -26.623 -10.971 7.168 1.00 23.25 ? 102 TYR A CD2 1
1993ATOM 692 C CE1 . TYR A 1 84 ? -26.642 -8.276 7.735 1.00 25.03 ? 102 TYR A CE1 1
1994ATOM 693 C CE2 . TYR A 1 84 ? -27.689 -10.191 6.754 1.00 24.99 ? 102 TYR A CE2 1
1995ATOM 694 C CZ . TYR A 1 84 ? -27.706 -8.841 7.048 1.00 25.79 ? 102 TYR A CZ 1
1996ATOM 695 O OH . TYR A 1 84 ? -28.764 -8.092 6.627 1.00 25.85 ? 102 TYR A OH 1
1997ATOM 696 N N . CYS A 1 85 ? -21.225 -10.990 9.594 1.00 16.25 ? 103 CYS A N 1
1998ATOM 697 C CA . CYS A 1 85 ? -20.115 -11.559 10.401 1.00 15.65 ? 103 CYS A CA 1
1999ATOM 698 C C . CYS A 1 85 ? -20.352 -11.241 11.877 1.00 14.17 ? 103 CYS A C 1
2000ATOM 699 O O . CYS A 1 85 ? -20.506 -10.065 12.186 1.00 13.40 ? 103 CYS A O 1
2001ATOM 700 C CB . CYS A 1 85 ? -18.773 -11.003 9.961 1.00 16.10 ? 103 CYS A CB 1
2002ATOM 701 S SG . CYS A 1 85 ? -18.250 -11.575 8.323 1.00 17.26 ? 103 CYS A SG 1
2003ATOM 702 N N . GLY A 1 86 ? -20.378 -12.255 12.740 1.00 13.19 ? 104 GLY A N 1
2004ATOM 703 C CA . GLY A 1 86 ? -20.422 -12.087 14.206 1.00 13.12 ? 104 GLY A CA 1
2005ATOM 704 C C . GLY A 1 86 ? -19.160 -11.424 14.746 1.00 12.60 ? 104 GLY A C 1
2006ATOM 705 O O . GLY A 1 86 ? -18.082 -11.599 14.161 1.00 12.40 ? 104 GLY A O 1
2007ATOM 706 N N . VAL A 1 87 ? -19.294 -10.625 15.800 1.00 12.35 ? 105 VAL A N 1
2008ATOM 707 C CA . VAL A 1 87 ? -18.181 -9.815 16.373 1.00 11.49 ? 105 VAL A CA 1
2009ATOM 708 C C . VAL A 1 87 ? -18.603 -9.458 17.795 1.00 11.40 ? 105 VAL A C 1
2010ATOM 709 O O . VAL A 1 87 ? -19.749 -9.031 17.972 1.00 10.71 ? 105 VAL A O 1
2011ATOM 710 C CB . VAL A 1 87 ? -17.862 -8.554 15.547 1.00 11.38 ? 105 VAL A CB 1
2012ATOM 711 C CG1 . VAL A 1 87 ? -19.097 -7.742 15.194 1.00 11.57 ? 105 VAL A CG1 1
2013ATOM 712 C CG2 . VAL A 1 87 ? -16.836 -7.674 16.250 1.00 11.23 ? 105 VAL A CG2 1
2014ATOM 713 N N . ILE A 1 88 ? -17.733 -9.704 18.766 1.00 11.12 ? 106 ILE A N 1
2015ATOM 714 C CA . ILE A 1 88 ? -17.868 -9.132 20.128 1.00 11.34 ? 106 ILE A CA 1
2016ATOM 715 C C . ILE A 1 88 ? -16.553 -8.417 20.442 1.00 11.64 ? 106 ILE A C 1
2017ATOM 716 O O . ILE A 1 88 ? -15.527 -8.756 19.824 1.00 11.26 ? 106 ILE A O 1
2018ATOM 717 C CB . ILE A 1 88 ? -18.302 -10.196 21.163 1.00 11.48 ? 106 ILE A CB 1
2019ATOM 718 C CG1 . ILE A 1 88 ? -17.170 -11.021 21.767 1.00 11.35 ? 106 ILE A CG1 1
2020ATOM 719 C CG2 . ILE A 1 88 ? -19.388 -11.095 20.590 1.00 12.06 ? 106 ILE A CG2 1
2021ATOM 720 C CD1 . ILE A 1 88 ? -17.546 -11.592 23.113 1.00 11.73 ? 106 ILE A CD1 1
2022ATOM 721 N N . SER A 1 89 ? -16.617 -7.377 21.264 1.00 11.59 ? 107 SER A N 1
2023ATOM 722 C CA . SER A 1 89 ? -15.441 -6.581 21.682 1.00 12.33 ? 107 SER A CA 1
2024ATOM 723 C C . SER A 1 89 ? -15.635 -6.206 23.154 1.00 12.51 ? 107 SER A C 1
2025ATOM 724 O O . SER A 1 89 ? -16.777 -6.102 23.597 1.00 10.61 ? 107 SER A O 1
2026ATOM 725 C CB . SER A 1 89 ? -15.215 -5.356 20.800 1.00 12.15 ? 107 SER A CB 1
2027ATOM 726 O OG . SER A 1 89 ? -16.381 -4.534 20.745 1.00 12.47 ? 107 SER A OG 1
2028ATOM 727 N N . SER A 1 90 ? -14.535 -6.067 23.888 1.00 13.30 ? 108 SER A N 1
2029ATOM 728 C CA . SER A 1 90 ? -14.567 -5.737 25.331 1.00 13.84 ? 108 SER A CA 1
2030ATOM 729 C C . SER A 1 90 ? -15.004 -4.279 25.504 1.00 14.52 ? 108 SER A C 1
2031ATOM 730 O O . SER A 1 90 ? -14.814 -3.462 24.565 1.00 13.65 ? 108 SER A O 1
2032ATOM 731 C CB . SER A 1 90 ? -13.237 -6.012 25.963 1.00 14.33 ? 108 SER A CB 1
2033ATOM 732 O OG . SER A 1 90 ? -12.172 -5.366 25.263 1.00 13.97 ? 108 SER A OG 1
2034ATOM 733 N N . ARG A 1 91 ? -15.588 -3.975 26.660 1.00 17.02 ? 109 ARG A N 1
2035ATOM 734 C CA . ARG A 1 91 ? -15.840 -2.582 27.092 1.00 18.54 ? 109 ARG A CA 1
2036ATOM 735 C C . ARG A 1 91 ? -14.561 -2.064 27.726 1.00 19.56 ? 109 ARG A C 1
2037ATOM 736 O O . ARG A 1 91 ? -14.343 -0.864 27.618 1.00 20.87 ? 109 ARG A O 1
2038ATOM 737 C CB . ARG A 1 91 ? -17.020 -2.470 28.055 1.00 19.48 ? 109 ARG A CB 1
2039ATOM 738 C CG . ARG A 1 91 ? -18.338 -2.894 27.429 1.00 21.56 ? 109 ARG A CG 1
2040ATOM 739 C CD . ARG A 1 91 ? -19.549 -2.656 28.303 1.00 22.73 ? 109 ARG A CD 1
2041ATOM 740 N NE . ARG A 1 91 ? -20.643 -3.306 27.606 1.00 26.01 ? 109 ARG A NE 1
2042ATOM 741 C CZ . ARG A 1 91 ? -21.386 -2.773 26.627 1.00 27.78 ? 109 ARG A CZ 1
2043ATOM 742 N NH1 . ARG A 1 91 ? -21.191 -1.521 26.235 1.00 25.96 ? 109 ARG A NH1 1
2044ATOM 743 N NH2 . ARG A 1 91 ? -22.349 -3.502 26.064 1.00 25.99 ? 109 ARG A NH2 1
2045ATOM 744 N N . LYS A 1 92 ? -13.762 -2.940 28.347 1.00 20.34 ? 110 LYS A N 1
2046ATOM 745 C CA . LYS A 1 92 ? -12.541 -2.540 29.089 1.00 22.61 ? 110 LYS A CA 1
2047ATOM 746 C C . LYS A 1 92 ? -11.300 -2.833 28.229 1.00 22.64 ? 110 LYS A C 1
2048ATOM 747 O O . LYS A 1 92 ? -11.349 -3.748 27.364 1.00 21.26 ? 110 LYS A O 1
2049ATOM 748 C CB . LYS A 1 92 ? -12.472 -3.232 30.454 1.00 26.35 ? 110 LYS A CB 1
2050ATOM 749 C CG . LYS A 1 92 ? -13.574 -2.840 31.435 1.00 30.58 ? 110 LYS A CG 1
2051ATOM 750 C CD . LYS A 1 92 ? -13.359 -1.510 32.127 1.00 33.13 ? 110 LYS A CD 1
2052ATOM 751 C CE . LYS A 1 92 ? -14.647 -0.912 32.663 1.00 36.97 ? 110 LYS A CE 1
2053ATOM 752 N NZ . LYS A 1 92 ? -15.181 -1.715 33.787 1.00 37.56 ? 110 LYS A NZ 1
2054ATOM 753 N N . GLU A 1 93 ? -10.249 -2.045 28.449 1.00 19.12 ? 111 GLU A N 1
2055ATOM 754 C CA . GLU A 1 93 ? -8.982 -2.080 27.694 1.00 18.01 ? 111 GLU A CA 1
2056ATOM 755 C C . GLU A 1 93 ? -8.020 -2.992 28.443 1.00 17.33 ? 111 GLU A C 1
2057ATOM 756 O O . GLU A 1 93 ? -8.153 -3.125 29.686 1.00 15.91 ? 111 GLU A O 1
2058ATOM 757 C CB . GLU A 1 93 ? -8.419 -0.664 27.552 1.00 18.40 ? 111 GLU A CB 1
2059ATOM 758 C CG . GLU A 1 93 ? -9.170 0.210 26.562 1.00 17.90 ? 111 GLU A CG 1
2060ATOM 759 C CD . GLU A 1 93 ? -8.631 1.628 26.407 1.00 18.66 ? 111 GLU A CD 1
2061ATOM 760 O OE1 . GLU A 1 93 ? -7.872 2.063 27.292 1.00 18.95 ? 111 GLU A OE1 1
2062ATOM 761 O OE2 . GLU A 1 93 ? -8.940 2.284 25.389 1.00 18.75 ? 111 GLU A OE2 1
2063ATOM 762 N N . VAL A 1 94 ? -7.093 -3.600 27.702 1.00 16.32 ? 112 VAL A N 1
2064ATOM 763 C CA . VAL A 1 94 ? -5.917 -4.308 28.274 1.00 15.25 ? 112 VAL A CA 1
2065ATOM 764 C C . VAL A 1 94 ? -4.665 -3.492 27.947 1.00 14.44 ? 112 VAL A C 1
2066ATOM 765 O O . VAL A 1 94 ? -4.524 -3.007 26.812 1.00 12.75 ? 112 VAL A O 1
2067ATOM 766 C CB . VAL A 1 94 ? -5.807 -5.769 27.779 1.00 15.86 ? 112 VAL A CB 1
2068ATOM 767 C CG1 . VAL A 1 94 ? -5.717 -5.887 26.272 1.00 15.58 ? 112 VAL A CG1 1
2069ATOM 768 C CG2 . VAL A 1 94 ? -4.617 -6.482 28.420 1.00 16.10 ? 112 VAL A CG2 1
2070ATOM 769 N N . ILE A 1 95 ? -3.782 -3.372 28.929 1.00 14.65 ? 113 ILE A N 1
2071ATOM 770 C CA . ILE A 1 95 ? -2.426 -2.785 28.751 1.00 15.76 ? 113 ILE A CA 1
2072ATOM 771 C C . ILE A 1 95 ? -1.401 -3.817 29.237 1.00 15.56 ? 113 ILE A C 1
2073ATOM 772 O O . ILE A 1 95 ? -1.718 -4.625 30.142 1.00 15.81 ? 113 ILE A O 1
2074ATOM 773 C CB . ILE A 1 95 ? -2.326 -1.418 29.466 1.00 16.52 ? 113 ILE A CB 1
2075ATOM 774 C CG1 . ILE A 1 95 ? -1.037 -0.681 29.088 1.00 16.96 ? 113 ILE A CG1 1
2076ATOM 775 C CG2 . ILE A 1 95 ? -2.464 -1.557 30.982 1.00 17.00 ? 113 ILE A CG2 1
2077ATOM 776 C CD1 . ILE A 1 95 ? -0.917 -0.363 27.627 1.00 17.33 ? 113 ILE A CD1 1
2078ATOM 777 N N . TYR A 1 96 ? -0.211 -3.819 28.649 1.00 15.13 ? 114 TYR A N 1
2079ATOM 778 C CA . TYR A 1 96 ? 0.919 -4.644 29.142 1.00 15.38 ? 114 TYR A CA 1
2080ATOM 779 C C . TYR A 1 96 ? 1.178 -4.328 30.616 1.00 15.46 ? 114 TYR A C 1
2081ATOM 780 O O . TYR A 1 96 ? 0.919 -3.221 31.089 1.00 17.28 ? 114 TYR A O 1
2082ATOM 781 C CB . TYR A 1 96 ? 2.168 -4.409 28.300 1.00 15.44 ? 114 TYR A CB 1
2083ATOM 782 C CG . TYR A 1 96 ? 2.802 -3.049 28.466 1.00 15.44 ? 114 TYR A CG 1
2084ATOM 783 C CD1 . TYR A 1 96 ? 3.584 -2.766 29.578 1.00 15.31 ? 114 TYR A CD1 1
2085ATOM 784 C CD2 . TYR A 1 96 ? 2.657 -2.065 27.496 1.00 15.72 ? 114 TYR A CD2 1
2086ATOM 785 C CE1 . TYR A 1 96 ? 4.186 -1.527 29.743 1.00 15.81 ? 114 TYR A CE1 1
2087ATOM 786 C CE2 . TYR A 1 96 ? 3.268 -0.821 27.636 1.00 16.51 ? 114 TYR A CE2 1
2088ATOM 787 C CZ . TYR A 1 96 ? 4.027 -0.555 28.771 1.00 16.00 ? 114 TYR A CZ 1
2089ATOM 788 O OH . TYR A 1 96 ? 4.636 0.640 28.944 1.00 17.04 ? 114 TYR A OH 1
2090ATOM 789 N N . PRO A 1 97 ? 1.733 -5.278 31.393 1.00 15.05 ? 115 PRO A N 1
2091ATOM 790 C CA . PRO A 1 97 ? 1.926 -6.650 30.935 1.00 14.48 ? 115 PRO A CA 1
2092ATOM 791 C C . PRO A 1 97 ? 0.623 -7.438 31.082 1.00 14.12 ? 115 PRO A C 1
2093ATOM 792 O O . PRO A 1 97 ? -0.017 -7.291 32.089 1.00 14.82 ? 115 PRO A O 1
2094ATOM 793 C CB . PRO A 1 97 ? 3.002 -7.182 31.896 1.00 14.63 ? 115 PRO A CB 1
2095ATOM 794 C CG . PRO A 1 97 ? 2.730 -6.430 33.168 1.00 15.24 ? 115 PRO A CG 1
2096ATOM 795 C CD . PRO A 1 97 ? 2.273 -5.052 32.740 1.00 15.16 ? 115 PRO A CD 1
2097ATOM 796 N N . ALA A 1 98 ? 0.279 -8.283 30.115 1.00 13.69 ? 116 ALA A N 1
2098ATOM 797 C CA . ALA A 1 98 ? -0.892 -9.176 30.231 1.00 13.19 ? 116 ALA A CA 1
2099ATOM 798 C C . ALA A 1 98 ? -0.661 -10.490 29.496 1.00 12.44 ? 116 ALA A C 1
2100ATOM 799 O O . ALA A 1 98 ? 0.148 -10.531 28.574 1.00 13.29 ? 116 ALA A O 1
2101ATOM 800 C CB . ALA A 1 98 ? -2.112 -8.457 29.715 1.00 13.34 ? 116 ALA A CB 1
2102ATOM 801 N N . TYR A 1 99 ? -1.372 -11.534 29.897 1.00 11.92 ? 117 TYR A N 1
2103ATOM 802 C CA . TYR A 1 99 ? -1.509 -12.771 29.094 1.00 11.45 ? 117 TYR A CA 1
2104ATOM 803 C C . TYR A 1 99 ? -2.965 -12.857 28.635 1.00 11.77 ? 117 TYR A C 1
2105ATOM 804 O O . TYR A 1 99 ? -3.899 -12.892 29.486 1.00 11.22 ? 117 TYR A O 1
2106ATOM 805 C CB . TYR A 1 99 ? -1.055 -14.022 29.854 1.00 11.22 ? 117 TYR A CB 1
2107ATOM 806 C CG . TYR A 1 99 ? -1.061 -15.265 28.999 1.00 10.89 ? 117 TYR A CG 1
2108ATOM 807 C CD1 . TYR A 1 99 ? -0.171 -15.414 27.957 1.00 10.96 ? 117 TYR A CD1 1
2109ATOM 808 C CD2 . TYR A 1 99 ? -1.997 -16.268 29.184 1.00 11.26 ? 117 TYR A CD2 1
2110ATOM 809 C CE1 . TYR A 1 99 ? -0.178 -16.534 27.145 1.00 10.82 ? 117 TYR A CE1 1
2111ATOM 810 C CE2 . TYR A 1 99 ? -1.994 -17.412 28.408 1.00 10.91 ? 117 TYR A CE2 1
2112ATOM 811 C CZ . TYR A 1 99 ? -1.093 -17.538 27.370 1.00 10.89 ? 117 TYR A CZ 1
2113ATOM 812 O OH . TYR A 1 99 ? -1.103 -18.638 26.574 1.00 10.44 ? 117 TYR A OH 1
2114ATOM 813 N N . MET A 1 100 ? -3.150 -12.818 27.317 1.00 11.41 ? 118 MET A N 1
2115ATOM 814 C CA . MET A 1 100 ? -4.479 -12.868 26.670 1.00 11.05 ? 118 MET A CA 1
2116ATOM 815 C C . MET A 1 100 ? -4.537 -14.155 25.848 1.00 10.31 ? 118 MET A C 1
2117ATOM 816 O O . MET A 1 100 ? -3.702 -14.331 24.945 1.00 9.58 ? 118 MET A O 1
2118ATOM 817 C CB . MET A 1 100 ? -4.740 -11.651 25.776 1.00 11.76 ? 118 MET A CB 1
2119ATOM 818 C CG . MET A 1 100 ? -4.445 -10.305 26.428 1.00 12.28 ? 118 MET A CG 1
2120ATOM 819 S SD . MET A 1 100 ? -2.823 -9.655 26.005 1.00 13.66 ? 118 MET A SD 1
2121ATOM 820 C CE . MET A 1 100 ? -3.046 -9.149 24.302 1.00 13.16 ? 118 MET A CE 1
2122ATOM 821 N N . GLU A 1 101 ? -5.525 -15.001 26.133 1.00 10.09 ? 119 GLU A N 1
2123ATOM 822 C CA . GLU A 1 101 ? -5.634 -16.334 25.509 1.00 9.74 ? 119 GLU A CA 1
2124ATOM 823 C C . GLU A 1 101 ? -7.102 -16.670 25.289 1.00 9.37 ? 119 GLU A C 1
2125ATOM 824 O O . GLU A 1 101 ? -7.891 -16.522 26.200 1.00 9.66 ? 119 GLU A O 1
2126ATOM 825 C CB . GLU A 1 101 ? -4.972 -17.386 26.386 1.00 9.56 ? 119 GLU A CB 1
2127ATOM 826 C CG . GLU A 1 101 ? -4.789 -18.729 25.710 1.00 9.35 ? 119 GLU A CG 1
2128ATOM 827 C CD . GLU A 1 101 ? -4.171 -19.727 26.664 1.00 8.98 ? 119 GLU A CD 1
2129ATOM 828 O OE1 . GLU A 1 101 ? -4.785 -19.955 27.708 1.00 8.49 ? 119 GLU A OE1 1
2130ATOM 829 O OE2 . GLU A 1 101 ? -3.083 -20.244 26.372 1.00 8.81 ? 119 GLU A OE2 1
2131ATOM 830 N N . ILE A 1 102 ? -7.414 -17.175 24.111 1.00 8.94 ? 120 ILE A N 1
2132ATOM 831 C CA . ILE A 1 102 ? -8.773 -17.652 23.754 1.00 9.01 ? 120 ILE A CA 1
2133ATOM 832 C C . ILE A 1 102 ? -8.660 -19.165 23.506 1.00 9.37 ? 120 ILE A C 1
2134ATOM 833 O O . ILE A 1 102 ? -7.656 -19.625 22.976 1.00 9.49 ? 120 ILE A O 1
2135ATOM 834 C CB . ILE A 1 102 ? -9.308 -16.879 22.531 1.00 8.83 ? 120 ILE A CB 1
2136ATOM 835 C CG1 . ILE A 1 102 ? -10.827 -16.993 22.394 1.00 8.99 ? 120 ILE A CG1 1
2137ATOM 836 C CG2 . ILE A 1 102 ? -8.569 -17.310 21.260 1.00 8.60 ? 120 ILE A CG2 1
2138ATOM 837 C CD1 . ILE A 1 102 ? -11.423 -16.117 21.314 1.00 8.79 ? 120 ILE A CD1 1
2139ATOM 838 N N . LYS A 1 103 ? -9.695 -19.898 23.847 1.00 9.80 ? 121 LYS A N 1
2140ATOM 839 C CA . LYS A 1 103 ? -9.872 -21.301 23.449 1.00 10.28 ? 121 LYS A CA 1
2141ATOM 840 C C . LYS A 1 103 ? -10.933 -21.296 22.355 1.00 10.61 ? 121 LYS A C 1
2142ATOM 841 O O . LYS A 1 103 ? -12.096 -20.969 22.657 1.00 10.42 ? 121 LYS A O 1
2143ATOM 842 C CB . LYS A 1 103 ? -10.282 -22.124 24.673 1.00 10.45 ? 121 LYS A CB 1
2144ATOM 843 C CG . LYS A 1 103 ? -10.453 -23.609 24.402 1.00 10.32 ? 121 LYS A CG 1
2145ATOM 844 C CD . LYS A 1 103 ? -10.939 -24.361 25.594 1.00 10.77 ? 121 LYS A CD 1
2146ATOM 845 C CE . LYS A 1 103 ? -11.194 -25.824 25.272 1.00 11.48 ? 121 LYS A CE 1
2147ATOM 846 N NZ . LYS A 1 103 ? -11.966 -26.494 26.343 1.00 11.82 ? 121 LYS A NZ 1
2148ATOM 847 N N . MET A 1 104 ? -10.564 -21.608 21.118 1.00 11.44 ? 122 MET A N 1
2149ATOM 848 C CA . MET A 1 104 ? -11.584 -21.637 20.043 1.00 11.75 ? 122 MET A CA 1
2150ATOM 849 C C . MET A 1 104 ? -11.359 -22.772 19.042 1.00 11.93 ? 122 MET A C 1
2151ATOM 850 O O . MET A 1 104 ? -10.228 -23.255 18.817 1.00 11.42 ? 122 MET A O 1
2152ATOM 851 C CB . MET A 1 104 ? -11.688 -20.299 19.318 1.00 12.67 ? 122 MET A CB 1
2153ATOM 852 C CG . MET A 1 104 ? -10.428 -19.869 18.620 1.00 13.51 ? 122 MET A CG 1
2154ATOM 853 S SD . MET A 1 104 ? -10.717 -18.354 17.625 1.00 15.28 ? 122 MET A SD 1
2155ATOM 854 C CE . MET A 1 104 ? -9.070 -18.176 16.933 1.00 14.78 ? 122 MET A CE 1
2156ATOM 855 N N . LYS A 1 105 ? -12.479 -23.223 18.509 1.00 12.77 ? 123 LYS A N 1
2157ATOM 856 C CA . LYS A 1 105 ? -12.551 -24.091 17.317 1.00 13.75 ? 123 LYS A CA 1
2158ATOM 857 C C . LYS A 1 105 ? -12.952 -23.166 16.169 1.00 12.62 ? 123 LYS A C 1
2159ATOM 858 O O . LYS A 1 105 ? -14.133 -22.719 16.115 1.00 10.90 ? 123 LYS A O 1
2160ATOM 859 C CB . LYS A 1 105 ? -13.507 -25.256 17.591 1.00 14.34 ? 123 LYS A CB 1
2161ATOM 860 C CG . LYS A 1 105 ? -13.765 -26.183 16.413 1.00 16.01 ? 123 LYS A CG 1
2162ATOM 861 C CD . LYS A 1 105 ? -14.379 -27.496 16.859 1.00 17.86 ? 123 LYS A CD 1
2163ATOM 862 C CE . LYS A 1 105 ? -15.419 -28.050 15.916 1.00 20.24 ? 123 LYS A CE 1
2164ATOM 863 N NZ . LYS A 1 105 ? -16.350 -28.920 16.674 1.00 22.47 ? 123 LYS A NZ 1
2165ATOM 864 N N . ILE A 1 106 ? -11.979 -22.836 15.333 1.00 12.09 ? 124 ILE A N 1
2166ATOM 865 C CA . ILE A 1 106 ? -12.187 -21.891 14.207 1.00 12.45 ? 124 ILE A CA 1
2167ATOM 866 C C . ILE A 1 106 ? -13.241 -22.472 13.262 1.00 12.09 ? 124 ILE A C 1
2168ATOM 867 O O . ILE A 1 106 ? -13.514 -23.676 13.321 1.00 12.87 ? 124 ILE A O 1
2169ATOM 868 C CB . ILE A 1 106 ? -10.858 -21.583 13.492 1.00 13.25 ? 124 ILE A CB 1
2170ATOM 869 C CG1 . ILE A 1 106 ? -10.172 -22.828 12.919 1.00 14.16 ? 124 ILE A CG1 1
2171ATOM 870 C CG2 . ILE A 1 106 ? -9.929 -20.817 14.415 1.00 13.29 ? 124 ILE A CG2 1
2172ATOM 871 C CD1 . ILE A 1 106 ? -9.188 -22.508 11.817 1.00 14.48 ? 124 ILE A CD1 1
2173ATOM 872 N N . SER A 1 107 ? -13.795 -21.652 12.382 1.00 11.68 ? 125 SER A N 1
2174ATOM 873 C CA . SER A 1 107 ? -14.743 -22.124 11.345 1.00 11.50 ? 125 SER A CA 1
2175ATOM 874 C C . SER A 1 107 ? -13.982 -22.915 10.282 1.00 11.52 ? 125 SER A C 1
2176ATOM 875 O O . SER A 1 107 ? -12.729 -22.847 10.223 1.00 10.72 ? 125 SER A O 1
2177ATOM 876 C CB . SER A 1 107 ? -15.538 -20.995 10.730 1.00 11.13 ? 125 SER A CB 1
2178ATOM 877 O OG . SER A 1 107 ? -14.825 -20.392 9.650 1.00 11.05 ? 125 SER A OG 1
2179ATOM 878 N N . GLY A 1 108 ? -14.741 -23.585 9.423 1.00 12.67 ? 126 GLY A N 1
2180ATOM 879 C CA . GLY A 1 108 ? -14.230 -24.180 8.173 1.00 14.03 ? 126 GLY A CA 1
2181ATOM 880 C C . GLY A 1 108 ? -14.483 -23.296 6.966 1.00 14.04 ? 126 GLY A C 1
2182ATOM 881 O O . GLY A 1 108 ? -14.351 -23.785 5.859 1.00 16.53 ? 126 GLY A O 1
2183ATOM 882 N N . LEU A 1 109 ? -14.859 -22.038 7.141 1.00 15.15 ? 127 LEU A N 1
2184ATOM 883 C CA . LEU A 1 109 ? -15.238 -21.167 5.996 1.00 15.60 ? 127 LEU A CA 1
2185ATOM 884 C C . LEU A 1 109 ? -13.974 -20.498 5.454 1.00 16.06 ? 127 LEU A C 1
2186ATOM 885 O O . LEU A 1 109 ? -12.952 -20.569 6.139 1.00 16.13 ? 127 LEU A O 1
2187ATOM 886 C CB . LEU A 1 109 ? -16.242 -20.102 6.446 1.00 15.26 ? 127 LEU A CB 1
2188ATOM 887 C CG . LEU A 1 109 ? -17.600 -20.607 6.922 1.00 15.56 ? 127 LEU A CG 1
2189ATOM 888 C CD1 . LEU A 1 109 ? -18.407 -19.452 7.503 1.00 15.42 ? 127 LEU A CD1 1
2190ATOM 889 C CD2 . LEU A 1 109 ? -18.379 -21.274 5.790 1.00 15.93 ? 127 LEU A CD2 1
2191ATOM 890 N N . LYS A 1 110 ? -14.093 -19.763 4.342 1.00 16.19 ? 128 LYS A N 1
2192ATOM 891 C CA . LYS A 1 110 ? -12.978 -18.969 3.761 1.00 16.31 ? 128 LYS A CA 1
2193ATOM 892 C C . LYS A 1 110 ? -12.761 -17.686 4.578 1.00 14.79 ? 128 LYS A C 1
2194ATOM 893 O O . LYS A 1 110 ? -11.734 -17.053 4.385 1.00 15.46 ? 128 LYS A O 1
2195ATOM 894 C CB . LYS A 1 110 ? -13.252 -18.658 2.290 1.00 16.63 ? 128 LYS A CB 1
2196ATOM 895 C CG . LYS A 1 110 ? -13.089 -19.854 1.359 1.00 17.59 ? 128 LYS A CG 1
2197ATOM 896 C CD . LYS A 1 110 ? -13.930 -19.763 0.094 1.00 18.91 ? 128 LYS A CD 1
2198ATOM 897 C CE . LYS A 1 110 ? -14.091 -21.097 -0.629 1.00 20.64 ? 128 LYS A CE 1
2199ATOM 898 N NZ . LYS A 1 110 ? -15.212 -21.058 -1.604 1.00 21.74 ? 128 LYS A NZ 1
2200ATOM 899 N N . LEU A 1 111 ? -13.704 -17.315 5.430 1.00 13.73 ? 129 LEU A N 1
2201ATOM 900 C CA . LEU A 1 111 ? -13.587 -16.151 6.345 1.00 14.12 ? 129 LEU A CA 1
2202ATOM 901 C C . LEU A 1 111 ? -12.428 -16.392 7.305 1.00 13.59 ? 129 LEU A C 1
2203ATOM 902 O O . LEU A 1 111 ? -12.049 -17.561 7.530 1.00 14.37 ? 129 LEU A O 1
2204ATOM 903 C CB . LEU A 1 111 ? -14.870 -15.989 7.163 1.00 14.16 ? 129 LEU A CB 1
2205ATOM 904 C CG . LEU A 1 111 ? -16.177 -15.852 6.387 1.00 14.49 ? 129 LEU A CG 1
2206ATOM 905 C CD1 . LEU A 1 111 ? -17.298 -15.477 7.339 1.00 14.85 ? 129 LEU A CD1 1
2207ATOM 906 C CD2 . LEU A 1 111 ? -16.080 -14.809 5.294 1.00 14.47 ? 129 LEU A CD2 1
2208ATOM 907 N N . SER A 1 112 ? -11.898 -15.329 7.884 1.00 12.38 ? 130 SER A N 1
2209ATOM 908 C CA . SER A 1 112 ? -10.853 -15.454 8.920 1.00 11.67 ? 130 SER A CA 1
2210ATOM 909 C C . SER A 1 112 ? -11.544 -15.630 10.275 1.00 11.05 ? 130 SER A C 1
2211ATOM 910 O O . SER A 1 112 ? -12.504 -14.914 10.552 1.00 10.21 ? 130 SER A O 1
2212ATOM 911 C CB . SER A 1 112 ? -9.944 -14.264 8.910 1.00 11.64 ? 130 SER A CB 1
2213ATOM 912 O OG . SER A 1 112 ? -8.772 -14.534 9.656 1.00 11.86 ? 130 SER A OG 1
2214ATOM 913 N N . SER A 1 113 ? -11.056 -16.567 11.082 1.00 11.02 ? 131 SER A N 1
2215ATOM 914 C CA . SER A 1 113 ? -11.477 -16.782 12.482 1.00 10.31 ? 131 SER A CA 1
2216ATOM 915 C C . SER A 1 113 ? -10.449 -16.077 13.376 1.00 10.17 ? 131 SER A C 1
2217ATOM 916 O O . SER A 1 113 ? -9.268 -16.474 13.342 1.00 10.05 ? 131 SER A O 1
2218ATOM 917 C CB . SER A 1 113 ? -11.599 -18.259 12.776 1.00 10.23 ? 131 SER A CB 1
2219ATOM 918 O OG . SER A 1 113 ? -12.646 -18.869 12.041 1.00 9.62 ? 131 SER A OG 1
2220ATOM 919 N N . ASN A 1 114 ? -10.869 -15.052 14.127 1.00 9.99 ? 132 ASN A N 1
2221ATOM 920 C CA . ASN A 1 114 ? -9.931 -14.026 14.657 1.00 9.60 ? 132 ASN A CA 1
2222ATOM 921 C C . ASN A 1 114 ? -10.058 -13.811 16.174 1.00 9.33 ? 132 ASN A C 1
2223ATOM 922 O O . ASN A 1 114 ? -11.190 -13.692 16.708 1.00 8.93 ? 132 ASN A O 1
2224ATOM 923 C CB . ASN A 1 114 ? -10.176 -12.689 13.974 1.00 9.52 ? 132 ASN A CB 1
2225ATOM 924 C CG . ASN A 1 114 ? -10.094 -12.768 12.470 1.00 9.38 ? 132 ASN A CG 1
2226ATOM 925 O OD1 . ASN A 1 114 ? -9.255 -13.491 11.913 1.00 8.84 ? 132 ASN A OD1 1
2227ATOM 926 N ND2 . ASN A 1 114 ? -10.967 -12.013 11.825 1.00 9.11 ? 132 ASN A ND2 1
2228ATOM 927 N N . PHE A 1 115 ? -8.905 -13.693 16.827 1.00 9.29 ? 133 PHE A N 1
2229ATOM 928 C CA . PHE A 1 115 ? -8.736 -13.149 18.199 1.00 9.10 ? 133 PHE A CA 1
2230ATOM 929 C C . PHE A 1 115 ? -7.669 -12.067 18.090 1.00 9.10 ? 133 PHE A C 1
2231ATOM 930 O O . PHE A 1 115 ? -6.450 -12.390 17.807 1.00 9.28 ? 133 PHE A O 1
2232ATOM 931 C CB . PHE A 1 115 ? -8.378 -14.272 19.158 1.00 9.01 ? 133 PHE A CB 1
2233ATOM 932 C CG . PHE A 1 115 ? -8.088 -13.858 20.577 1.00 9.58 ? 133 PHE A CG 1
2234ATOM 933 C CD1 . PHE A 1 115 ? -9.009 -13.128 21.301 1.00 9.62 ? 133 PHE A CD1 1
2235ATOM 934 C CD2 . PHE A 1 115 ? -6.949 -14.310 21.231 1.00 9.46 ? 133 PHE A CD2 1
2236ATOM 935 C CE1 . PHE A 1 115 ? -8.774 -12.826 22.635 1.00 9.83 ? 133 PHE A CE1 1
2237ATOM 936 C CE2 . PHE A 1 115 ? -6.716 -13.994 22.560 1.00 9.61 ? 133 PHE A CE2 1
2238ATOM 937 C CZ . PHE A 1 115 ? -7.637 -13.267 23.263 1.00 9.58 ? 133 PHE A CZ 1
2239ATOM 938 N N . TRP A 1 116 ? -8.086 -10.820 18.258 1.00 8.53 ? 134 TRP A N 1
2240ATOM 939 C CA . TRP A 1 116 ? -7.149 -9.698 18.090 1.00 9.05 ? 134 TRP A CA 1
2241ATOM 940 C C . TRP A 1 116 ? -7.479 -8.572 19.062 1.00 9.46 ? 134 TRP A C 1
2242ATOM 941 O O . TRP A 1 116 ? -8.490 -8.665 19.782 1.00 10.17 ? 134 TRP A O 1
2243ATOM 942 C CB . TRP A 1 116 ? -7.099 -9.275 16.607 1.00 9.06 ? 134 TRP A CB 1
2244ATOM 943 C CG . TRP A 1 116 ? -8.407 -8.912 15.981 1.00 9.25 ? 134 TRP A CG 1
2245ATOM 944 C CD1 . TRP A 1 116 ? -9.494 -9.710 15.760 1.00 9.35 ? 134 TRP A CD1 1
2246ATOM 945 C CD2 . TRP A 1 116 ? -8.749 -7.623 15.448 1.00 9.32 ? 134 TRP A CD2 1
2247ATOM 946 N NE1 . TRP A 1 116 ? -10.495 -9.004 15.152 1.00 9.09 ? 134 TRP A NE1 1
2248ATOM 947 C CE2 . TRP A 1 116 ? -10.067 -7.720 14.946 1.00 9.21 ? 134 TRP A CE2 1
2249ATOM 948 C CE3 . TRP A 1 116 ? -8.069 -6.406 15.363 1.00 9.11 ? 134 TRP A CE3 1
2250ATOM 949 C CZ2 . TRP A 1 116 ? -10.738 -6.624 14.406 1.00 9.44 ? 134 TRP A CZ2 1
2251ATOM 950 C CZ3 . TRP A 1 116 ? -8.731 -5.326 14.812 1.00 9.47 ? 134 TRP A CZ3 1
2252ATOM 951 C CH2 . TRP A 1 116 ? -10.036 -5.438 14.329 1.00 9.31 ? 134 TRP A CH2 1
2253ATOM 952 N N . PHE A 1 117 ? -6.622 -7.551 19.068 1.00 9.80 ? 135 PHE A N 1
2254ATOM 953 C CA . PHE A 1 117 ? -6.705 -6.353 19.923 1.00 9.78 ? 135 PHE A CA 1
2255ATOM 954 C C . PHE A 1 117 ? -6.402 -5.134 19.067 1.00 9.93 ? 135 PHE A C 1
2256ATOM 955 O O . PHE A 1 117 ? -5.476 -5.189 18.206 1.00 9.79 ? 135 PHE A O 1
2257ATOM 956 C CB . PHE A 1 117 ? -5.719 -6.455 21.088 1.00 10.13 ? 135 PHE A CB 1
2258ATOM 957 C CG . PHE A 1 117 ? -6.068 -7.565 22.039 1.00 10.40 ? 135 PHE A CG 1
2259ATOM 958 C CD1 . PHE A 1 117 ? -5.730 -8.872 21.744 1.00 10.37 ? 135 PHE A CD1 1
2260ATOM 959 C CD2 . PHE A 1 117 ? -6.753 -7.292 23.211 1.00 10.75 ? 135 PHE A CD2 1
2261ATOM 960 C CE1 . PHE A 1 117 ? -6.098 -9.898 22.593 1.00 10.86 ? 135 PHE A CE1 1
2262ATOM 961 C CE2 . PHE A 1 117 ? -7.106 -8.318 24.074 1.00 10.89 ? 135 PHE A CE2 1
2263ATOM 962 C CZ . PHE A 1 117 ? -6.771 -9.620 23.761 1.00 11.11 ? 135 PHE A CZ 1
2264ATOM 963 N N . ILE A 1 118 ? -7.135 -4.057 19.339 1.00 9.85 ? 136 ILE A N 1
2265ATOM 964 C CA . ILE A 1 118 ? -6.984 -2.777 18.617 1.00 10.33 ? 136 ILE A CA 1
2266ATOM 965 C C . ILE A 1 118 ? -7.226 -1.636 19.597 1.00 10.42 ? 136 ILE A C 1
2267ATOM 966 O O . ILE A 1 118 ? -8.120 -1.747 20.431 1.00 9.74 ? 136 ILE A O 1
2268ATOM 967 C CB . ILE A 1 118 ? -7.890 -2.707 17.373 1.00 10.22 ? 136 ILE A CB 1
2269ATOM 968 C CG1 . ILE A 1 118 ? -7.583 -1.444 16.577 1.00 10.39 ? 136 ILE A CG1 1
2270ATOM 969 C CG2 . ILE A 1 118 ? -9.364 -2.817 17.731 1.00 10.25 ? 136 ILE A CG2 1
2271ATOM 970 C CD1 . ILE A 1 118 ? -7.156 -1.723 15.169 1.00 10.91 ? 136 ILE A CD1 1
2272ATOM 971 N N . SER A 1 119 ? -6.392 -0.604 19.514 1.00 11.45 ? 137 SER A N 1
2273ATOM 972 C CA . SER A 1 119 ? -6.590 0.644 20.277 1.00 13.48 ? 137 SER A CA 1
2274ATOM 973 C C . SER A 1 119 ? -7.868 1.318 19.741 1.00 14.94 ? 137 SER A C 1
2275ATOM 974 O O . SER A 1 119 ? -8.208 1.138 18.526 1.00 14.12 ? 137 SER A O 1
2276ATOM 975 C CB . SER A 1 119 ? -5.387 1.520 20.167 1.00 13.31 ? 137 SER A CB 1
2277ATOM 976 O OG . SER A 1 119 ? -5.068 1.720 18.795 1.00 14.04 ? 137 SER A OG 1
2278ATOM 977 N N . LYS A 1 120 ? -8.567 2.024 20.619 1.00 16.80 ? 138 LYS A N 1
2279ATOM 978 C CA . LYS A 1 120 ? -9.755 2.863 20.290 1.00 18.98 ? 138 LYS A CA 1
2280ATOM 979 C C . LYS A 1 120 ? -9.541 3.635 18.984 1.00 16.52 ? 138 LYS A C 1
2281ATOM 980 O O . LYS A 1 120 ? -10.428 3.576 18.140 1.00 15.93 ? 138 LYS A O 1
2282ATOM 981 C CB . LYS A 1 120 ? -10.050 3.853 21.422 1.00 22.62 ? 138 LYS A CB 1
2283ATOM 982 C CG . LYS A 1 120 ? -11.280 3.538 22.255 1.00 27.08 ? 138 LYS A CG 1
2284ATOM 983 C CD . LYS A 1 120 ? -11.853 4.743 22.997 1.00 31.91 ? 138 LYS A CD 1
2285ATOM 984 C CE . LYS A 1 120 ? -13.024 5.411 22.294 1.00 34.83 ? 138 LYS A CE 1
2286ATOM 985 N NZ . LYS A 1 120 ? -13.804 6.239 23.247 1.00 37.69 ? 138 LYS A NZ 1
2287ATOM 986 N N . ASP A 1 121 ? -8.406 4.316 18.829 1.00 15.49 ? 139 ASP A N 1
2288ATOM 987 C CA . ASP A 1 121 ? -8.121 5.215 17.676 1.00 14.54 ? 139 ASP A CA 1
2289ATOM 988 C C . ASP A 1 121 ? -7.643 4.397 16.475 1.00 14.10 ? 139 ASP A C 1
2290ATOM 989 O O . ASP A 1 121 ? -7.143 5.008 15.466 1.00 14.65 ? 139 ASP A O 1
2291ATOM 990 C CB . ASP A 1 121 ? -7.080 6.270 18.045 1.00 14.71 ? 139 ASP A CB 1
2292ATOM 991 C CG . ASP A 1 121 ? -5.738 5.677 18.442 1.00 14.26 ? 139 ASP A CG 1
2293ATOM 992 O OD1 . ASP A 1 121 ? -5.545 4.459 18.291 1.00 14.49 ? 139 ASP A OD1 1
2294ATOM 993 O OD2 . ASP A 1 121 ? -4.912 6.434 18.905 1.00 15.35 ? 139 ASP A OD2 1
2295ATOM 994 N N . GLN A 1 122 ? -7.742 3.071 16.577 1.00 13.00 ? 140 GLN A N 1
2296ATOM 995 C CA . GLN A 1 122 ? -7.552 2.136 15.441 1.00 12.31 ? 140 GLN A CA 1
2297ATOM 996 C C . GLN A 1 122 ? -6.100 2.181 14.921 1.00 12.46 ? 140 GLN A C 1
2298ATOM 997 O O . GLN A 1 122 ? -5.895 1.751 13.784 1.00 12.15 ? 140 GLN A O 1
2299ATOM 998 C CB . GLN A 1 122 ? -8.576 2.473 14.354 1.00 11.58 ? 140 GLN A CB 1
2300ATOM 999 C CG . GLN A 1 122 ? -10.019 2.498 14.871 1.00 11.54 ? 140 GLN A CG 1
2301ATOM 1000 C CD . GLN A 1 122 ? -10.519 1.140 15.318 1.00 11.46 ? 140 GLN A CD 1
2302ATOM 1001 O OE1 . GLN A 1 122 ? -10.767 0.252 14.491 1.00 11.79 ? 140 GLN A OE1 1
2303ATOM 1002 N NE2 . GLN A 1 122 ? -10.673 0.965 16.629 1.00 10.48 ? 140 GLN A NE2 1
2304ATOM 1003 N N . VAL A 1 123 ? -5.117 2.633 15.725 1.00 12.06 ? 141 VAL A N 1
2305ATOM 1004 C CA . VAL A 1 123 ? -3.697 2.774 15.274 1.00 11.36 ? 141 VAL A CA 1
2306ATOM 1005 C C . VAL A 1 123 ? -2.988 1.455 15.530 1.00 11.68 ? 141 VAL A C 1
2307ATOM 1006 O O . VAL A 1 123 ? -2.315 0.942 14.588 1.00 12.11 ? 141 VAL A O 1
2308ATOM 1007 C CB . VAL A 1 123 ? -2.945 3.918 15.981 1.00 11.10 ? 141 VAL A CB 1
2309ATOM 1008 C CG1 . VAL A 1 123 ? -1.454 3.896 15.647 1.00 11.02 ? 141 VAL A CG1 1
2310ATOM 1009 C CG2 . VAL A 1 123 ? -3.548 5.277 15.661 1.00 11.03 ? 141 VAL A CG2 1
2311ATOM 1010 N N . LEU A 1 124 ? -3.179 0.917 16.736 1.00 10.78 ? 142 LEU A N 1
2312ATOM 1011 C CA . LEU A 1 124 ? -2.355 -0.186 17.259 1.00 11.01 ? 142 LEU A CA 1
2313ATOM 1012 C C . LEU A 1 124 ? -3.149 -1.502 17.222 1.00 11.45 ? 142 LEU A C 1
2314ATOM 1013 O O . LEU A 1 124 ? -4.256 -1.577 17.830 1.00 11.12 ? 142 LEU A O 1
2315ATOM 1014 C CB . LEU A 1 124 ? -1.915 0.170 18.681 1.00 10.87 ? 142 LEU A CB 1
2316ATOM 1015 C CG . LEU A 1 124 ? -0.946 1.345 18.833 1.00 10.56 ? 142 LEU A CG 1
2317ATOM 1016 C CD1 . LEU A 1 124 ? -0.616 1.552 20.300 1.00 10.35 ? 142 LEU A CD1 1
2318ATOM 1017 C CD2 . LEU A 1 124 ? 0.317 1.147 18.005 1.00 10.61 ? 142 LEU A CD2 1
2319ATOM 1018 N N . GLU A 1 125 ? -2.597 -2.522 16.562 1.00 10.86 ? 143 GLU A N 1
2320ATOM 1019 C CA . GLU A 1 125 ? -3.294 -3.813 16.364 1.00 10.69 ? 143 GLU A CA 1
2321ATOM 1020 C C . GLU A 1 125 ? -2.358 -4.981 16.667 1.00 10.47 ? 143 GLU A C 1
2322ATOM 1021 O O . GLU A 1 125 ? -1.299 -5.072 16.016 1.00 10.95 ? 143 GLU A O 1
2323ATOM 1022 C CB . GLU A 1 125 ? -3.811 -3.970 14.939 1.00 10.71 ? 143 GLU A CB 1
2324ATOM 1023 C CG . GLU A 1 125 ? -4.575 -5.279 14.742 1.00 11.25 ? 143 GLU A CG 1
2325ATOM 1024 C CD . GLU A 1 125 ? -5.355 -5.374 13.435 1.00 11.69 ? 143 GLU A CD 1
2326ATOM 1025 O OE1 . GLU A 1 125 ? -5.705 -4.329 12.924 1.00 11.35 ? 143 GLU A OE1 1
2327ATOM 1026 O OE2 . GLU A 1 125 ? -5.610 -6.499 12.943 1.00 12.40 ? 143 GLU A OE2 1
2328ATOM 1027 N N . ILE A 1 126 ? -2.756 -5.855 17.592 1.00 9.68 ? 144 ILE A N 1
2329ATOM 1028 C CA . ILE A 1 126 ? -2.076 -7.163 17.796 1.00 9.66 ? 144 ILE A CA 1
2330ATOM 1029 C C . ILE A 1 126 ? -3.030 -8.264 17.337 1.00 9.25 ? 144 ILE A C 1
2331ATOM 1030 O O . ILE A 1 126 ? -4.146 -8.361 17.902 1.00 8.83 ? 144 ILE A O 1
2332ATOM 1031 C CB . ILE A 1 126 ? -1.659 -7.361 19.260 1.00 9.56 ? 144 ILE A CB 1
2333ATOM 1032 C CG1 . ILE A 1 126 ? -0.688 -6.272 19.718 1.00 9.79 ? 144 ILE A CG1 1
2334ATOM 1033 C CG2 . ILE A 1 126 ? -1.092 -8.754 19.451 1.00 9.40 ? 144 ILE A CG2 1
2335ATOM 1034 C CD1 . ILE A 1 126 ? -0.308 -6.360 21.191 1.00 9.56 ? 144 ILE A CD1 1
2336ATOM 1035 N N . ASP A 1 127 ? -2.579 -9.090 16.399 1.00 8.97 ? 145 ASP A N 1
2337ATOM 1036 C CA . ASP A 1 127 ? -3.344 -10.268 15.925 1.00 9.08 ? 145 ASP A CA 1
2338ATOM 1037 C C . ASP A 1 127 ? -2.778 -11.498 16.617 1.00 9.06 ? 145 ASP A C 1
2339ATOM 1038 O O . ASP A 1 127 ? -1.737 -11.947 16.199 1.00 9.08 ? 145 ASP A O 1
2340ATOM 1039 C CB . ASP A 1 127 ? -3.308 -10.377 14.404 1.00 9.37 ? 145 ASP A CB 1
2341ATOM 1040 C CG . ASP A 1 127 ? -3.742 -9.078 13.752 1.00 9.86 ? 145 ASP A CG 1
2342ATOM 1041 O OD1 . ASP A 1 127 ? -4.924 -8.692 13.938 1.00 10.32 ? 145 ASP A OD1 1
2343ATOM 1042 O OD2 . ASP A 1 127 ? -2.879 -8.418 13.159 1.00 9.80 ? 145 ASP A OD2 1
2344ATOM 1043 N N . VAL A 1 128 ? -3.435 -11.957 17.679 1.00 8.99 ? 146 VAL A N 1
2345ATOM 1044 C CA . VAL A 1 128 ? -3.048 -13.165 18.454 1.00 8.88 ? 146 VAL A CA 1
2346ATOM 1045 C C . VAL A 1 128 ? -3.323 -14.389 17.593 1.00 8.97 ? 146 VAL A C 1
2347ATOM 1046 O O . VAL A 1 128 ? -2.453 -15.254 17.505 1.00 9.25 ? 146 VAL A O 1
2348ATOM 1047 C CB . VAL A 1 128 ? -3.800 -13.226 19.795 1.00 8.55 ? 146 VAL A CB 1
2349ATOM 1048 C CG1 . VAL A 1 128 ? -3.439 -14.477 20.577 1.00 8.27 ? 146 VAL A CG1 1
2350ATOM 1049 C CG2 . VAL A 1 128 ? -3.551 -11.969 20.605 1.00 8.30 ? 146 VAL A CG2 1
2351ATOM 1050 N N . ASN A 1 129 ? -4.479 -14.430 16.948 1.00 9.71 ? 147 ASN A N 1
2352ATOM 1051 C CA . ASN A 1 129 ? -4.753 -15.424 15.890 1.00 10.26 ? 147 ASN A CA 1
2353ATOM 1052 C C . ASN A 1 129 ? -5.683 -14.898 14.817 1.00 11.36 ? 147 ASN A C 1
2354ATOM 1053 O O . ASN A 1 129 ? -6.739 -14.323 15.167 1.00 12.65 ? 147 ASN A O 1
2355ATOM 1054 C CB . ASN A 1 129 ? -5.395 -16.711 16.375 1.00 10.16 ? 147 ASN A CB 1
2356ATOM 1055 C CG . ASN A 1 129 ? -5.391 -17.711 15.246 1.00 9.87 ? 147 ASN A CG 1
2357ATOM 1056 O OD1 . ASN A 1 129 ? -4.336 -18.203 14.866 1.00 9.47 ? 147 ASN A OD1 1
2358ATOM 1057 N ND2 . ASN A 1 129 ? -6.557 -17.995 14.701 1.00 10.01 ? 147 ASN A ND2 1
2359ATOM 1058 N N . GLU A 1 130 ? -5.278 -15.144 13.569 1.00 12.14 ? 148 GLU A N 1
2360ATOM 1059 C CA . GLU A 1 130 ? -6.117 -15.143 12.347 1.00 12.49 ? 148 GLU A CA 1
2361ATOM 1060 C C . GLU A 1 130 ? -5.868 -16.449 11.591 1.00 13.13 ? 148 GLU A C 1
2362ATOM 1061 O O . GLU A 1 130 ? -4.680 -16.746 11.321 1.00 12.42 ? 148 GLU A O 1
2363ATOM 1062 C CB . GLU A 1 130 ? -5.706 -14.002 11.426 1.00 12.89 ? 148 GLU A CB 1
2364ATOM 1063 C CG . GLU A 1 130 ? -5.819 -12.642 12.078 1.00 12.97 ? 148 GLU A CG 1
2365ATOM 1064 C CD . GLU A 1 130 ? -5.288 -11.525 11.209 1.00 12.59 ? 148 GLU A CD 1
2366ATOM 1065 O OE1 . GLU A 1 130 ? -6.007 -11.120 10.277 1.00 13.11 ? 148 GLU A OE1 1
2367ATOM 1066 O OE2 . GLU A 1 130 ? -4.154 -11.097 11.454 1.00 11.72 ? 148 GLU A OE2 1
2368ATOM 1067 N N . THR A 1 131 ? -6.927 -17.182 11.238 1.00 13.59 ? 149 THR A N 1
2369ATOM 1068 C CA . THR A 1 131 ? -6.841 -18.390 10.373 1.00 13.55 ? 149 THR A CA 1
2370ATOM 1069 C C . THR A 1 131 ? -7.991 -18.411 9.381 1.00 13.65 ? 149 THR A C 1
2371ATOM 1070 O O . THR A 1 131 ? -9.137 -18.154 9.768 1.00 13.81 ? 149 THR A O 1
2372ATOM 1071 C CB . THR A 1 131 ? -6.822 -19.681 11.202 1.00 14.17 ? 149 THR A CB 1
2373ATOM 1072 O OG1 . THR A 1 131 ? -5.809 -19.602 12.202 1.00 13.77 ? 149 THR A OG1 1
2374ATOM 1073 C CG2 . THR A 1 131 ? -6.533 -20.906 10.364 1.00 14.82 ? 149 THR A CG2 1
2375ATOM 1074 N N . TYR A 1 132 ? -7.690 -18.741 8.132 1.00 14.33 ? 150 TYR A N 1
2376ATOM 1075 C CA . TYR A 1 132 ? -8.703 -19.130 7.128 1.00 14.68 ? 150 TYR A CA 1
2377ATOM 1076 C C . TYR A 1 132 ? -8.957 -20.630 7.243 1.00 15.35 ? 150 TYR A C 1
2378ATOM 1077 O O . TYR A 1 132 ? -8.039 -21.409 6.952 1.00 16.05 ? 150 TYR A O 1
2379ATOM 1078 C CB . TYR A 1 132 ? -8.221 -18.792 5.727 1.00 14.01 ? 150 TYR A CB 1
2380ATOM 1079 C CG . TYR A 1 132 ? -7.830 -17.356 5.592 1.00 13.33 ? 150 TYR A CG 1
2381ATOM 1080 C CD1 . TYR A 1 132 ? -8.765 -16.342 5.757 1.00 13.41 ? 150 TYR A CD1 1
2382ATOM 1081 C CD2 . TYR A 1 132 ? -6.509 -17.018 5.360 1.00 12.70 ? 150 TYR A CD2 1
2383ATOM 1082 C CE1 . TYR A 1 132 ? -8.389 -15.009 5.678 1.00 13.09 ? 150 TYR A CE1 1
2384ATOM 1083 C CE2 . TYR A 1 132 ? -6.129 -15.701 5.237 1.00 12.95 ? 150 TYR A CE2 1
2385ATOM 1084 C CZ . TYR A 1 132 ? -7.067 -14.693 5.397 1.00 12.87 ? 150 TYR A CZ 1
2386ATOM 1085 O OH . TYR A 1 132 ? -6.638 -13.400 5.278 1.00 12.73 ? 150 TYR A OH 1
2387ATOM 1086 N N . GLY A 1 133 ? -10.172 -20.997 7.642 1.00 16.49 ? 151 GLY A N 1
2388ATOM 1087 C CA . GLY A 1 133 ? -10.560 -22.372 7.986 1.00 18.12 ? 151 GLY A CA 1
2389ATOM 1088 C C . GLY A 1 133 ? -10.620 -23.298 6.782 1.00 19.59 ? 151 GLY A C 1
2390ATOM 1089 O O . GLY A 1 133 ? -10.534 -24.496 7.000 1.00 18.29 ? 151 GLY A O 1
2391ATOM 1090 N N . ASN A 1 134 ? -10.747 -22.775 5.560 1.00 22.23 ? 152 ASN A N 1
2392ATOM 1091 C CA . ASN A 1 134 ? -10.948 -23.604 4.341 1.00 27.41 ? 152 ASN A CA 1
2393ATOM 1092 C C . ASN A 1 134 ? -9.610 -24.218 3.877 1.00 34.48 ? 152 ASN A C 1
2394ATOM 1093 O O . ASN A 1 134 ? -9.626 -25.255 3.146 1.00 36.47 ? 152 ASN A O 1
2395ATOM 1094 C CB . ASN A 1 134 ? -11.574 -22.782 3.219 1.00 27.00 ? 152 ASN A CB 1
2396ATOM 1095 C CG . ASN A 1 134 ? -10.609 -21.753 2.667 1.00 28.58 ? 152 ASN A CG 1
2397ATOM 1096 O OD1 . ASN A 1 134 ? -10.086 -20.941 3.423 1.00 25.10 ? 152 ASN A OD1 1
2398ATOM 1097 N ND2 . ASN A 1 134 ? -10.357 -21.787 1.361 1.00 28.78 ? 152 ASN A ND2 1
2399ATOM 1098 N N . GLU A 1 135 ? -8.477 -23.617 4.255 1.00 36.91 ? 153 GLU A N 1
2400ATOM 1099 C CA . GLU A 1 135 ? -7.206 -23.842 3.523 1.00 38.98 ? 153 GLU A CA 1
2401ATOM 1100 C C . GLU A 1 135 ? -6.644 -25.217 3.874 1.00 40.13 ? 153 GLU A C 1
2402ATOM 1101 O O . GLU A 1 135 ? -6.593 -25.621 5.038 1.00 39.97 ? 153 GLU A O 1
2403ATOM 1102 C CB . GLU A 1 135 ? -6.250 -22.670 3.745 1.00 40.72 ? 153 GLU A CB 1
2404ATOM 1103 C CG . GLU A 1 135 ? -6.745 -21.371 3.110 1.00 40.19 ? 153 GLU A CG 1
2405ATOM 1104 C CD . GLU A 1 135 ? -6.906 -21.375 1.590 1.00 41.00 ? 153 GLU A CD 1
2406ATOM 1105 O OE1 . GLU A 1 135 ? -6.408 -22.327 0.937 1.00 41.99 ? 153 GLU A OE1 1
2407ATOM 1106 O OE2 . GLU A 1 135 ? -7.518 -20.418 1.054 1.00 34.95 ? 153 GLU A OE2 1
2408ATOM 1107 N N . PRO A 1 136 ? -6.235 -26.001 2.848 1.00 41.38 ? 154 PRO A N 1
2409ATOM 1108 C CA . PRO A 1 136 ? -5.708 -27.339 3.089 1.00 38.40 ? 154 PRO A CA 1
2410ATOM 1109 C C . PRO A 1 136 ? -4.490 -27.188 4.008 1.00 35.79 ? 154 PRO A C 1
2411ATOM 1110 O O . PRO A 1 136 ? -4.389 -27.896 4.973 1.00 40.91 ? 154 PRO A O 1
2412ATOM 1111 C CB . PRO A 1 136 ? -5.377 -27.907 1.690 1.00 37.33 ? 154 PRO A CB 1
2413ATOM 1112 C CG . PRO A 1 136 ? -5.430 -26.726 0.738 1.00 37.51 ? 154 PRO A CG 1
2414ATOM 1113 C CD . PRO A 1 136 ? -6.240 -25.642 1.415 1.00 39.63 ? 154 PRO A CD 1
2415ATOM 1114 N N . ASP A 1 137 ? -3.606 -26.251 3.689 1.00 32.65 ? 155 ASP A N 1
2416ATOM 1115 C CA . ASP A 1 137 ? -2.441 -25.929 4.542 1.00 33.48 ? 155 ASP A CA 1
2417ATOM 1116 C C . ASP A 1 137 ? -2.847 -24.912 5.628 1.00 31.65 ? 155 ASP A C 1
2418ATOM 1117 O O . ASP A 1 137 ? -2.602 -25.181 6.801 1.00 30.50 ? 155 ASP A O 1
2419ATOM 1118 C CB . ASP A 1 137 ? -1.265 -25.444 3.701 1.00 32.33 ? 155 ASP A CB 1
2420ATOM 1119 C CG . ASP A 1 137 ? 0.029 -25.417 4.491 1.00 37.01 ? 155 ASP A CG 1
2421ATOM 1120 O OD1 . ASP A 1 137 ? 0.356 -26.474 5.100 1.00 36.26 ? 155 ASP A OD1 1
2422ATOM 1121 O OD2 . ASP A 1 137 ? 0.684 -24.330 4.522 1.00 34.82 ? 155 ASP A OD2 1
2423ATOM 1122 N N . ARG A 1 138 ? -3.414 -23.769 5.255 1.00 31.79 ? 156 ARG A N 1
2424ATOM 1123 C CA . ARG A 1 138 ? -3.452 -22.567 6.136 1.00 32.43 ? 156 ARG A CA 1
2425ATOM 1124 C C . ARG A 1 138 ? -4.460 -22.756 7.280 1.00 26.00 ? 156 ARG A C 1
2426ATOM 1125 O O . ARG A 1 138 ? -4.266 -22.084 8.290 1.00 23.89 ? 156 ARG A O 1
2427ATOM 1126 C CB . ARG A 1 138 ? -3.722 -21.295 5.324 1.00 36.71 ? 156 ARG A CB 1
2428ATOM 1127 C CG . ARG A 1 138 ? -2.486 -20.433 5.098 1.00 39.73 ? 156 ARG A CG 1
2429ATOM 1128 C CD . ARG A 1 138 ? -2.724 -19.255 4.162 1.00 42.38 ? 156 ARG A CD 1
2430ATOM 1129 N NE . ARG A 1 138 ? -3.219 -19.613 2.828 1.00 42.88 ? 156 ARG A NE 1
2431ATOM 1130 C CZ . ARG A 1 138 ? -3.715 -18.744 1.938 1.00 43.41 ? 156 ARG A CZ 1
2432ATOM 1131 N NH1 . ARG A 1 138 ? -3.793 -17.457 2.231 1.00 47.38 ? 156 ARG A NH1 1
2433ATOM 1132 N NH2 . ARG A 1 138 ? -4.145 -19.157 0.758 1.00 41.85 ? 156 ARG A NH2 1
2434ATOM 1133 N N . SER A 1 139 ? -5.434 -23.665 7.148 1.00 22.06 ? 157 SER A N 1
2435ATOM 1134 C CA . SER A 1 139 ? -6.397 -24.042 8.221 1.00 20.77 ? 157 SER A CA 1
2436ATOM 1135 C C . SER A 1 139 ? -5.644 -24.717 9.371 1.00 18.68 ? 157 SER A C 1
2437ATOM 1136 O O . SER A 1 139 ? -6.208 -24.829 10.469 1.00 16.23 ? 157 SER A O 1
2438ATOM 1137 C CB . SER A 1 139 ? -7.533 -24.912 7.724 1.00 22.16 ? 157 SER A CB 1
2439ATOM 1138 O OG . SER A 1 139 ? -7.163 -26.286 7.589 1.00 22.87 ? 157 SER A OG 1
2440ATOM 1139 N N . LYS A 1 140 ? -4.390 -25.102 9.133 1.00 17.74 ? 158 LYS A N 1
2441ATOM 1140 C CA . LYS A 1 140 ? -3.535 -25.735 10.158 1.00 18.80 ? 158 LYS A CA 1
2442ATOM 1141 C C . LYS A 1 140 ? -2.724 -24.676 10.903 1.00 18.42 ? 158 LYS A C 1
2443ATOM 1142 O O . LYS A 1 140 ? -2.069 -25.061 11.874 1.00 15.65 ? 158 LYS A O 1
2444ATOM 1143 C CB . LYS A 1 140 ? -2.591 -26.748 9.515 1.00 20.19 ? 158 LYS A CB 1
2445ATOM 1144 C CG . LYS A 1 140 ? -3.269 -27.867 8.739 1.00 20.40 ? 158 LYS A CG 1
2446ATOM 1145 C CD . LYS A 1 140 ? -2.259 -28.741 8.068 1.00 21.30 ? 158 LYS A CD 1
2447ATOM 1146 C CE . LYS A 1 140 ? -2.792 -30.111 7.727 1.00 23.28 ? 158 LYS A CE 1
2448ATOM 1147 N NZ . LYS A 1 140 ? -1.989 -30.731 6.654 1.00 24.08 ? 158 LYS A NZ 1
2449ATOM 1148 N N . LYS A 1 141 ? -2.798 -23.403 10.490 1.00 18.54 ? 159 LYS A N 1
2450ATOM 1149 C CA . LYS A 1 141 ? -1.805 -22.394 10.902 1.00 20.15 ? 159 LYS A CA 1
2451ATOM 1150 C C . LYS A 1 141 ? -2.469 -21.394 11.838 1.00 18.09 ? 159 LYS A C 1
2452ATOM 1151 O O . LYS A 1 141 ? -3.493 -20.795 11.415 1.00 16.53 ? 159 LYS A O 1
2453ATOM 1152 C CB . LYS A 1 141 ? -1.202 -21.678 9.693 1.00 24.37 ? 159 LYS A CB 1
2454ATOM 1153 C CG . LYS A 1 141 ? -0.635 -22.576 8.587 1.00 28.36 ? 159 LYS A CG 1
2455ATOM 1154 C CD . LYS A 1 141 ? 0.722 -23.210 8.901 1.00 31.67 ? 159 LYS A CD 1
2456ATOM 1155 C CE . LYS A 1 141 ? 1.261 -24.110 7.799 1.00 33.51 ? 159 LYS A CE 1
2457ATOM 1156 N NZ . LYS A 1 141 ? 1.991 -23.355 6.748 1.00 35.30 ? 159 LYS A NZ 1
2458ATOM 1157 N N . MET A 1 142 ? -1.877 -21.220 13.034 1.00 15.40 ? 160 MET A N 1
2459ATOM 1158 C CA . MET A 1 142 ? -2.056 -20.012 13.871 1.00 14.80 ? 160 MET A CA 1
2460ATOM 1159 C C . MET A 1 142 ? -1.394 -18.877 13.104 1.00 13.55 ? 160 MET A C 1
2461ATOM 1160 O O . MET A 1 142 ? -0.213 -19.043 12.761 1.00 13.50 ? 160 MET A O 1
2462ATOM 1161 C CB . MET A 1 142 ? -1.408 -20.158 15.252 1.00 15.38 ? 160 MET A CB 1
2463ATOM 1162 C CG . MET A 1 142 ? -1.212 -18.866 16.044 1.00 14.82 ? 160 MET A CG 1
2464ATOM 1163 S SD . MET A 1 142 ? -0.681 -19.317 17.707 1.00 16.20 ? 160 MET A SD 1
2465ATOM 1164 C CE . MET A 1 142 ? -0.717 -17.773 18.605 1.00 15.26 ? 160 MET A CE 1
2466ATOM 1165 N N . GLY A 1 143 ? -2.142 -17.815 12.804 1.00 12.71 ? 161 GLY A N 1
2467ATOM 1166 C CA . GLY A 1 143 ? -1.628 -16.598 12.143 1.00 12.75 ? 161 GLY A CA 1
2468ATOM 1167 C C . GLY A 1 143 ? -1.440 -15.473 13.132 1.00 12.87 ? 161 GLY A C 1
2469ATOM 1168 O O . GLY A 1 143 ? -2.444 -15.090 13.780 1.00 13.06 ? 161 GLY A O 1
2470ATOM 1169 N N . THR A 1 144 ? -0.189 -15.028 13.311 1.00 12.97 ? 162 THR A N 1
2471ATOM 1170 C CA . THR A 1 144 ? 0.228 -13.971 14.270 1.00 11.98 ? 162 THR A CA 1
2472ATOM 1171 C C . THR A 1 144 ? 0.756 -12.776 13.478 1.00 12.06 ? 162 THR A C 1
2473ATOM 1172 O O . THR A 1 144 ? 1.353 -12.972 12.384 1.00 10.67 ? 162 THR A O 1
2474ATOM 1173 C CB . THR A 1 144 ? 1.266 -14.477 15.277 1.00 12.60 ? 162 THR A CB 1
2475ATOM 1174 O OG1 . THR A 1 144 ? 2.520 -14.630 14.605 1.00 12.09 ? 162 THR A OG1 1
2476ATOM 1175 C CG2 . THR A 1 144 ? 0.867 -15.801 15.903 1.00 12.85 ? 162 THR A CG2 1
2477ATOM 1176 N N . ASN A 1 145 ? 0.491 -11.575 13.995 1.00 11.94 ? 163 ASN A N 1
2478ATOM 1177 C CA . ASN A 1 145 ? 0.854 -10.307 13.316 1.00 12.01 ? 163 ASN A CA 1
2479ATOM 1178 C C . ASN A 1 145 ? 0.688 -9.137 14.281 1.00 12.05 ? 163 ASN A C 1
2480ATOM 1179 O O . ASN A 1 145 ? 0.039 -9.296 15.352 1.00 12.79 ? 163 ASN A O 1
2481ATOM 1180 C CB . ASN A 1 145 ? 0.008 -10.089 12.059 1.00 12.27 ? 163 ASN A CB 1
2482ATOM 1181 C CG . ASN A 1 145 ? 0.772 -9.381 10.966 1.00 12.05 ? 163 ASN A CG 1
2483ATOM 1182 O OD1 . ASN A 1 145 ? 1.807 -8.767 11.226 1.00 13.13 ? 163 ASN A OD1 1
2484ATOM 1183 N ND2 . ASN A 1 145 ? 0.254 -9.447 9.758 1.00 11.80 ? 163 ASN A ND2 1
2485ATOM 1184 N N . TYR A 1 146 ? 1.274 -8.006 13.913 1.00 12.59 ? 164 TYR A N 1
2486ATOM 1185 C CA . TYR A 1 146 ? 0.970 -6.677 14.496 1.00 12.55 ? 164 TYR A CA 1
2487ATOM 1186 C C . TYR A 1 146 ? 1.013 -5.659 13.368 1.00 12.61 ? 164 TYR A C 1
2488ATOM 1187 O O . TYR A 1 146 ? 1.714 -5.890 12.338 1.00 13.25 ? 164 TYR A O 1
2489ATOM 1188 C CB . TYR A 1 146 ? 1.955 -6.310 15.606 1.00 12.60 ? 164 TYR A CB 1
2490ATOM 1189 C CG . TYR A 1 146 ? 3.316 -5.873 15.121 1.00 13.23 ? 164 TYR A CG 1
2491ATOM 1190 C CD1 . TYR A 1 146 ? 4.332 -6.794 14.910 1.00 13.22 ? 164 TYR A CD1 1
2492ATOM 1191 C CD2 . TYR A 1 146 ? 3.619 -4.529 14.941 1.00 13.14 ? 164 TYR A CD2 1
2493ATOM 1192 C CE1 . TYR A 1 146 ? 5.598 -6.394 14.510 1.00 13.54 ? 164 TYR A CE1 1
2494ATOM 1193 C CE2 . TYR A 1 146 ? 4.876 -4.116 14.536 1.00 13.07 ? 164 TYR A CE2 1
2495ATOM 1194 C CZ . TYR A 1 146 ? 5.876 -5.051 14.328 1.00 13.66 ? 164 TYR A CZ 1
2496ATOM 1195 O OH . TYR A 1 146 ? 7.123 -4.661 13.924 1.00 13.37 ? 164 TYR A OH 1
2497ATOM 1196 N N . HIS A 1 147 ? 0.311 -4.552 13.589 1.00 12.47 ? 165 HIS A N 1
2498ATOM 1197 C CA . HIS A 1 147 ? 0.189 -3.414 12.653 1.00 12.06 ? 165 HIS A CA 1
2499ATOM 1198 C C . HIS A 1 147 ? 0.159 -2.119 13.468 1.00 12.71 ? 165 HIS A C 1
2500ATOM 1199 O O . HIS A 1 147 ? -0.586 -2.033 14.474 1.00 12.15 ? 165 HIS A O 1
2501ATOM 1200 C CB . HIS A 1 147 ? -1.072 -3.542 11.798 1.00 11.96 ? 165 HIS A CB 1
2502ATOM 1201 C CG . HIS A 1 147 ? -1.279 -4.868 11.139 1.00 12.11 ? 165 HIS A CG 1
2503ATOM 1202 N ND1 . HIS A 1 147 ? -0.819 -5.136 9.868 1.00 12.30 ? 165 HIS A ND1 1
2504ATOM 1203 C CD2 . HIS A 1 147 ? -1.936 -5.985 11.546 1.00 11.67 ? 165 HIS A CD2 1
2505ATOM 1204 C CE1 . HIS A 1 147 ? -1.169 -6.371 9.526 1.00 12.43 ? 165 HIS A CE1 1
2506ATOM 1205 N NE2 . HIS A 1 147 ? -1.849 -6.917 10.543 1.00 11.58 ? 165 HIS A NE2 1
2507ATOM 1206 N N . ILE A 1 148 ? 0.946 -1.145 13.031 1.00 13.22 ? 166 ILE A N 1
2508ATOM 1207 C CA . ILE A 1 148 ? 0.846 0.280 13.418 1.00 13.79 ? 166 ILE A CA 1
2509ATOM 1208 C C . ILE A 1 148 ? 0.354 0.998 12.161 1.00 15.01 ? 166 ILE A C 1
2510ATOM 1209 O O . ILE A 1 148 ? 1.040 0.928 11.097 1.00 15.01 ? 166 ILE A O 1
2511ATOM 1210 C CB . ILE A 1 148 ? 2.205 0.773 13.935 1.00 14.32 ? 166 ILE A CB 1
2512ATOM 1211 C CG1 . ILE A 1 148 ? 2.729 -0.135 15.051 1.00 14.75 ? 166 ILE A CG1 1
2513ATOM 1212 C CG2 . ILE A 1 148 ? 2.146 2.227 14.365 1.00 14.15 ? 166 ILE A CG2 1
2514ATOM 1213 C CD1 . ILE A 1 148 ? 4.050 0.320 15.646 1.00 15.35 ? 166 ILE A CD1 1
2515ATOM 1214 N N . PHE A 1 149 ? -0.854 1.551 12.239 1.00 16.42 ? 167 PHE A N 1
2516ATOM 1215 C CA . PHE A 1 149 ? -1.561 2.162 11.087 1.00 17.87 ? 167 PHE A CA 1
2517ATOM 1216 C C . PHE A 1 149 ? -1.383 3.685 11.139 1.00 18.50 ? 167 PHE A C 1
2518ATOM 1217 O O . PHE A 1 149 ? -1.494 4.292 12.249 1.00 17.00 ? 167 PHE A O 1
2519ATOM 1218 C CB . PHE A 1 149 ? -3.037 1.760 11.110 1.00 19.01 ? 167 PHE A CB 1
2520ATOM 1219 C CG . PHE A 1 149 ? -3.299 0.287 10.875 1.00 19.43 ? 167 PHE A CG 1
2521ATOM 1220 C CD1 . PHE A 1 149 ? -2.974 -0.307 9.659 1.00 19.00 ? 167 PHE A CD1 1
2522ATOM 1221 C CD2 . PHE A 1 149 ? -3.882 -0.497 11.869 1.00 19.78 ? 167 PHE A CD2 1
2523ATOM 1222 C CE1 . PHE A 1 149 ? -3.228 -1.653 9.438 1.00 20.28 ? 167 PHE A CE1 1
2524ATOM 1223 C CE2 . PHE A 1 149 ? -4.139 -1.843 11.649 1.00 20.73 ? 167 PHE A CE2 1
2525ATOM 1224 C CZ . PHE A 1 149 ? -3.804 -2.422 10.436 1.00 20.70 ? 167 PHE A CZ 1
2526ATOM 1225 N N . GLN A 1 150 ? -1.049 4.278 9.990 1.00 19.68 ? 168 GLN A N 1
2527ATOM 1226 C CA . GLN A 1 150 ? -1.350 5.703 9.709 1.00 21.94 ? 168 GLN A CA 1
2528ATOM 1227 C C . GLN A 1 150 ? -2.815 5.716 9.302 1.00 22.52 ? 168 GLN A C 1
2529ATOM 1228 O O . GLN A 1 150 ? -3.164 4.896 8.449 1.00 23.98 ? 168 GLN A O 1
2530ATOM 1229 C CB . GLN A 1 150 ? -0.418 6.241 8.631 1.00 22.31 ? 168 GLN A CB 1
2531ATOM 1230 C CG . GLN A 1 150 ? -0.734 7.651 8.156 1.00 22.49 ? 168 GLN A CG 1
2532ATOM 1231 C CD . GLN A 1 150 ? 0.113 7.923 6.939 1.00 24.60 ? 168 GLN A CD 1
2533ATOM 1232 O OE1 . GLN A 1 150 ? 1.331 8.048 7.018 1.00 24.62 ? 168 GLN A OE1 1
2534ATOM 1233 N NE2 . GLN A 1 150 ? -0.526 7.951 5.783 1.00 27.93 ? 168 GLN A NE2 1
2535ATOM 1234 N N . ARG A 1 151 ? -3.612 6.551 9.937 1.00 26.07 ? 169 ARG A N 1
2536ATOM 1235 C CA . ARG A 1 151 ? -5.063 6.564 9.660 1.00 30.18 ? 169 ARG A CA 1
2537ATOM 1236 C C . ARG A 1 151 ? -5.422 7.425 8.438 1.00 36.35 ? 169 ARG A C 1
2538ATOM 1237 O O . ARG A 1 151 ? -5.982 6.852 7.504 1.00 38.87 ? 169 ARG A O 1
2539ATOM 1238 C CB . ARG A 1 151 ? -5.826 7.038 10.894 1.00 28.86 ? 169 ARG A CB 1
2540ATOM 1239 C CG . ARG A 1 151 ? -5.567 6.237 12.161 1.00 29.04 ? 169 ARG A CG 1
2541ATOM 1240 C CD . ARG A 1 151 ? -5.956 4.772 12.125 1.00 29.09 ? 169 ARG A CD 1
2542ATOM 1241 N NE . ARG A 1 151 ? -7.113 4.473 11.305 1.00 27.77 ? 169 ARG A NE 1
2543ATOM 1242 C CZ . ARG A 1 151 ? -7.426 3.266 10.866 1.00 28.53 ? 169 ARG A CZ 1
2544ATOM 1243 N NH1 . ARG A 1 151 ? -6.682 2.224 11.181 1.00 28.62 ? 169 ARG A NH1 1
2545ATOM 1244 N NH2 . ARG A 1 151 ? -8.491 3.101 10.116 1.00 30.59 ? 169 ARG A NH2 1
2546ATOM 1245 N N . THR A 1 152 ? -5.090 8.717 8.434 1.00 41.15 ? 170 THR A N 1
2547ATOM 1246 C CA . THR A 1 152 ? -5.563 9.664 7.370 1.00 44.35 ? 170 THR A CA 1
2548ATOM 1247 C C . THR A 1 152 ? -5.293 9.113 5.970 1.00 49.62 ? 170 THR A C 1
2549ATOM 1248 O O . THR A 1 152 ? -6.282 8.717 5.333 1.00 55.54 ? 170 THR A O 1
2550ATOM 1249 C CB . THR A 1 152 ? -5.333 11.116 7.793 1.00 44.49 ? 170 THR A CB 1
2551ATOM 1250 O OG1 . THR A 1 152 ? -4.017 11.209 8.335 1.00 47.99 ? 170 THR A OG1 1
2552ATOM 1251 C CG2 . THR A 1 152 ? -6.300 11.549 8.871 1.00 43.51 ? 170 THR A CG2 1
2553ATOM 1252 N N . PRO A 1 153 ? -4.080 9.165 5.377 1.00 45.23 ? 171 PRO A N 1
2554ATOM 1253 C CA . PRO A 1 153 ? -3.831 8.437 4.138 1.00 43.86 ? 171 PRO A CA 1
2555ATOM 1254 C C . PRO A 1 153 ? -3.633 6.983 4.604 1.00 44.31 ? 171 PRO A C 1
2556ATOM 1255 O O . PRO A 1 153 ? -2.511 6.595 4.727 1.00 45.46 ? 171 PRO A O 1
2557ATOM 1256 C CB . PRO A 1 153 ? -2.583 9.073 3.519 1.00 41.10 ? 171 PRO A CB 1
2558ATOM 1257 C CG . PRO A 1 153 ? -2.407 10.355 4.295 1.00 41.96 ? 171 PRO A CG 1
2559ATOM 1258 C CD . PRO A 1 153 ? -2.953 10.045 5.672 1.00 41.59 ? 171 PRO A CD 1
2560ATOM 1259 N N . PHE A 1 154 ? -4.717 6.238 4.851 1.00 41.74 ? 172 PHE A N 1
2561ATOM 1260 C CA . PHE A 1 154 ? -4.641 4.845 5.365 1.00 35.81 ? 172 PHE A CA 1
2562ATOM 1261 C C . PHE A 1 154 ? -3.409 4.099 4.869 1.00 36.20 ? 172 PHE A C 1
2563ATOM 1262 O O . PHE A 1 154 ? -3.302 3.817 3.658 1.00 36.21 ? 172 PHE A O 1
2564ATOM 1263 C CB . PHE A 1 154 ? -5.911 4.018 5.171 1.00 34.22 ? 172 PHE A CB 1
2565ATOM 1264 C CG . PHE A 1 154 ? -5.814 2.644 5.793 1.00 31.01 ? 172 PHE A CG 1
2566ATOM 1265 C CD1 . PHE A 1 154 ? -5.906 2.481 7.164 1.00 29.12 ? 172 PHE A CD1 1
2567ATOM 1266 C CD2 . PHE A 1 154 ? -5.587 1.519 5.016 1.00 30.38 ? 172 PHE A CD2 1
2568ATOM 1267 C CE1 . PHE A 1 154 ? -5.797 1.226 7.740 1.00 29.46 ? 172 PHE A CE1 1
2569ATOM 1268 C CE2 . PHE A 1 154 ? -5.474 0.264 5.594 1.00 29.80 ? 172 PHE A CE2 1
2570ATOM 1269 C CZ . PHE A 1 154 ? -5.584 0.118 6.955 1.00 27.83 ? 172 PHE A CZ 1
2571ATOM 1270 N N . LYS A 1 155 ? -2.548 3.742 5.814 1.00 31.03 ? 173 LYS A N 1
2572ATOM 1271 C CA . LYS A 1 155 ? -1.307 3.008 5.481 1.00 32.54 ? 173 LYS A CA 1
2573ATOM 1272 C C . LYS A 1 155 ? -0.874 2.183 6.703 1.00 28.76 ? 173 LYS A C 1
2574ATOM 1273 O O . LYS A 1 155 ? -0.870 2.714 7.839 1.00 25.85 ? 173 LYS A O 1
2575ATOM 1274 C CB . LYS A 1 155 ? -0.244 4.019 5.034 1.00 36.80 ? 173 LYS A CB 1
2576ATOM 1275 C CG . LYS A 1 155 ? 0.886 3.469 4.167 1.00 41.54 ? 173 LYS A CG 1
2577ATOM 1276 C CD . LYS A 1 155 ? 1.864 4.547 3.698 1.00 42.69 ? 173 LYS A CD 1
2578ATOM 1277 C CE . LYS A 1 155 ? 3.240 4.016 3.355 1.00 45.50 ? 173 LYS A CE 1
2579ATOM 1278 N NZ . LYS A 1 155 ? 3.888 3.360 4.519 1.00 47.52 ? 173 LYS A NZ 1
2580ATOM 1279 N N . ASP A 1 156 ? -0.518 0.927 6.472 1.00 23.69 ? 174 ASP A N 1
2581ATOM 1280 C CA . ASP A 1 156 ? 0.181 0.108 7.481 1.00 21.50 ? 174 ASP A CA 1
2582ATOM 1281 C C . ASP A 1 156 ? 1.643 0.551 7.493 1.00 20.88 ? 174 ASP A C 1
2583ATOM 1282 O O . ASP A 1 156 ? 2.350 0.345 6.509 1.00 20.00 ? 174 ASP A O 1
2584ATOM 1283 C CB . ASP A 1 156 ? 0.006 -1.386 7.212 1.00 20.50 ? 174 ASP A CB 1
2585ATOM 1284 C CG . ASP A 1 156 ? 0.504 -2.250 8.357 1.00 20.62 ? 174 ASP A CG 1
2586ATOM 1285 O OD1 . ASP A 1 156 ? 1.039 -1.684 9.339 1.00 18.84 ? 174 ASP A OD1 1
2587ATOM 1286 O OD2 . ASP A 1 156 ? 0.360 -3.490 8.255 1.00 22.12 ? 174 ASP A OD2 1
2588ATOM 1287 N N . LEU A 1 157 ? 2.094 1.131 8.592 1.00 20.31 ? 175 LEU A N 1
2589ATOM 1288 C CA . LEU A 1 157 ? 3.518 1.505 8.705 1.00 21.21 ? 175 LEU A CA 1
2590ATOM 1289 C C . LEU A 1 157 ? 4.386 0.274 8.995 1.00 19.66 ? 175 LEU A C 1
2591ATOM 1290 O O . LEU A 1 157 ? 5.611 0.425 8.917 1.00 20.39 ? 175 LEU A O 1
2592ATOM 1291 C CB . LEU A 1 157 ? 3.655 2.568 9.797 1.00 22.75 ? 175 LEU A CB 1
2593ATOM 1292 C CG . LEU A 1 157 ? 2.916 3.873 9.507 1.00 23.85 ? 175 LEU A CG 1
2594ATOM 1293 C CD1 . LEU A 1 157 ? 3.118 4.860 10.648 1.00 24.79 ? 175 LEU A CD1 1
2595ATOM 1294 C CD2 . LEU A 1 157 ? 3.353 4.469 8.165 1.00 23.05 ? 175 LEU A CD2 1
2596ATOM 1295 N N . THR A 1 158 ? 3.802 -0.887 9.322 1.00 18.75 ? 176 THR A N 1
2597ATOM 1296 C CA . THR A 1 158 ? 4.549 -2.136 9.671 1.00 18.12 ? 176 THR A CA 1
2598ATOM 1297 C C . THR A 1 158 ? 3.901 -3.352 9.027 1.00 18.58 ? 176 THR A C 1
2599ATOM 1298 O O . THR A 1 158 ? 3.495 -4.286 9.729 1.00 16.96 ? 176 THR A O 1
2600ATOM 1299 C CB . THR A 1 158 ? 4.625 -2.361 11.191 1.00 17.02 ? 176 THR A CB 1
2601ATOM 1300 O OG1 . THR A 1 158 ? 3.324 -2.644 11.690 1.00 14.72 ? 176 THR A OG1 1
2602ATOM 1301 C CG2 . THR A 1 158 ? 5.158 -1.154 11.929 1.00 17.68 ? 176 THR A CG2 1
2603ATOM 1302 N N . PRO A 1 159 ? 3.836 -3.401 7.677 1.00 19.87 ? 177 PRO A N 1
2604ATOM 1303 C CA . PRO A 1 159 ? 3.226 -4.531 6.977 1.00 19.86 ? 177 PRO A CA 1
2605ATOM 1304 C C . PRO A 1 159 ? 4.213 -5.702 6.955 1.00 21.18 ? 177 PRO A C 1
2606ATOM 1305 O O . PRO A 1 159 ? 5.373 -5.505 7.352 1.00 20.34 ? 177 PRO A O 1
2607ATOM 1306 C CB . PRO A 1 159 ? 3.020 -3.951 5.572 1.00 20.18 ? 177 PRO A CB 1
2608ATOM 1307 C CG . PRO A 1 159 ? 4.251 -3.079 5.382 1.00 20.37 ? 177 PRO A CG 1
2609ATOM 1308 C CD . PRO A 1 159 ? 4.429 -2.431 6.743 1.00 20.24 ? 177 PRO A CD 1
2610ATOM 1309 N N . ASN A 1 160 ? 3.753 -6.872 6.498 1.00 22.41 ? 178 ASN A N 1
2611ATOM 1310 C CA . ASN A 1 160 ? 4.611 -8.074 6.279 1.00 23.33 ? 178 ASN A CA 1
2612ATOM 1311 C C . ASN A 1 160 ? 5.175 -8.612 7.604 1.00 21.51 ? 178 ASN A C 1
2613ATOM 1312 O O . ASN A 1 160 ? 6.288 -9.200 7.551 1.00 21.00 ? 178 ASN A O 1
2614ATOM 1313 C CB . ASN A 1 160 ? 5.810 -7.792 5.360 1.00 25.78 ? 178 ASN A CB 1
2615ATOM 1314 C CG . ASN A 1 160 ? 5.435 -7.139 4.047 1.00 29.05 ? 178 ASN A CG 1
2616ATOM 1315 O OD1 . ASN A 1 160 ? 5.945 -6.064 3.716 1.00 29.25 ? 178 ASN A OD1 1
2617ATOM 1316 N ND2 . ASN A 1 160 ? 4.553 -7.787 3.301 1.00 28.77 ? 178 ASN A ND2 1
2618ATOM 1317 N N . ASN A 1 161 ? 4.489 -8.431 8.742 1.00 19.75 ? 179 ASN A N 1
2619ATOM 1318 C CA . ASN A 1 161 ? 4.934 -8.993 10.053 1.00 19.11 ? 179 ASN A CA 1
2620ATOM 1319 C C . ASN A 1 161 ? 4.163 -10.289 10.370 1.00 18.09 ? 179 ASN A C 1
2621ATOM 1320 O O . ASN A 1 161 ? 4.388 -10.857 11.460 1.00 16.21 ? 179 ASN A O 1
2622ATOM 1321 C CB . ASN A 1 161 ? 4.885 -7.926 11.146 1.00 19.87 ? 179 ASN A CB 1
2623ATOM 1322 C CG . ASN A 1 161 ? 5.995 -6.902 10.978 1.00 19.87 ? 179 ASN A CG 1
2624ATOM 1323 O OD1 . ASN A 1 161 ? 7.153 -7.228 11.166 1.00 19.85 ? 179 ASN A OD1 1
2625ATOM 1324 N ND2 . ASN A 1 161 ? 5.657 -5.667 10.646 1.00 18.77 ? 179 ASN A ND2 1
2626ATOM 1325 N N . GLY A 1 162 ? 3.384 -10.793 9.403 1.00 17.57 ? 180 GLY A N 1
2627ATOM 1326 C CA . GLY A 1 162 ? 2.614 -12.045 9.520 1.00 18.70 ? 180 GLY A CA 1
2628ATOM 1327 C C . GLY A 1 162 ? 3.514 -13.247 9.678 1.00 19.31 ? 180 GLY A C 1
2629ATOM 1328 O O . GLY A 1 162 ? 4.471 -13.357 8.926 1.00 23.40 ? 180 GLY A O 1
2630ATOM 1329 N N . LYS A 1 163 ? 3.293 -14.078 10.684 1.00 20.66 ? 181 LYS A N 1
2631ATOM 1330 C CA . LYS A 1 163 ? 4.047 -15.347 10.869 1.00 22.06 ? 181 LYS A CA 1
2632ATOM 1331 C C . LYS A 1 163 ? 3.046 -16.442 11.214 1.00 21.66 ? 181 LYS A C 1
2633ATOM 1332 O O . LYS A 1 163 ? 2.215 -16.190 12.107 1.00 22.11 ? 181 LYS A O 1
2634ATOM 1333 C CB . LYS A 1 163 ? 5.075 -15.248 11.996 1.00 24.78 ? 181 LYS A CB 1
2635ATOM 1334 C CG . LYS A 1 163 ? 6.330 -14.423 11.725 1.00 27.77 ? 181 LYS A CG 1
2636ATOM 1335 C CD . LYS A 1 163 ? 7.162 -14.892 10.551 1.00 32.43 ? 181 LYS A CD 1
2637ATOM 1336 C CE . LYS A 1 163 ? 7.658 -16.324 10.634 1.00 35.18 ? 181 LYS A CE 1
2638ATOM 1337 N NZ . LYS A 1 163 ? 8.432 -16.673 9.417 1.00 38.05 ? 181 LYS A NZ 1
2639ATOM 1338 N N . HIS A 1 164 ? 3.124 -17.583 10.526 1.00 20.91 ? 182 HIS A N 1
2640ATOM 1339 C CA . HIS A 1 164 ? 2.212 -18.752 10.670 1.00 20.73 ? 182 HIS A CA 1
2641ATOM 1340 C C . HIS A 1 164 ? 2.895 -19.896 11.417 1.00 18.19 ? 182 HIS A C 1
2642ATOM 1341 O O . HIS A 1 164 ? 4.036 -20.189 11.098 1.00 18.07 ? 182 HIS A O 1
2643ATOM 1342 C CB . HIS A 1 164 ? 1.785 -19.286 9.311 1.00 22.57 ? 182 HIS A CB 1
2644ATOM 1343 C CG . HIS A 1 164 ? 0.982 -18.341 8.500 1.00 24.57 ? 182 HIS A CG 1
2645ATOM 1344 N ND1 . HIS A 1 164 ? 1.562 -17.451 7.633 1.00 28.10 ? 182 HIS A ND1 1
2646ATOM 1345 C CD2 . HIS A 1 164 ? -0.347 -18.177 8.389 1.00 27.81 ? 182 HIS A CD2 1
2647ATOM 1346 C CE1 . HIS A 1 164 ? 0.619 -16.765 7.022 1.00 30.11 ? 182 HIS A CE1 1
2648ATOM 1347 N NE2 . HIS A 1 164 ? -0.564 -17.198 7.463 1.00 30.02 ? 182 HIS A NE2 1
2649ATOM 1348 N N . TYR A 1 165 ? 2.190 -20.556 12.334 1.00 16.45 ? 183 TYR A N 1
2650ATOM 1349 C CA . TYR A 1 165 ? 2.724 -21.655 13.176 1.00 15.50 ? 183 TYR A CA 1
2651ATOM 1350 C C . TYR A 1 165 ? 1.703 -22.793 13.173 1.00 16.04 ? 183 TYR A C 1
2652ATOM 1351 O O . TYR A 1 165 ? 0.458 -22.540 13.337 1.00 14.03 ? 183 TYR A O 1
2653ATOM 1352 C CB . TYR A 1 165 ? 3.082 -21.116 14.572 1.00 15.64 ? 183 TYR A CB 1
2654ATOM 1353 C CG . TYR A 1 165 ? 4.081 -19.977 14.564 1.00 15.34 ? 183 TYR A CG 1
2655ATOM 1354 C CD1 . TYR A 1 165 ? 5.447 -20.210 14.452 1.00 16.33 ? 183 TYR A CD1 1
2656ATOM 1355 C CD2 . TYR A 1 165 ? 3.661 -18.661 14.656 1.00 14.59 ? 183 TYR A CD2 1
2657ATOM 1356 C CE1 . TYR A 1 165 ? 6.366 -19.163 14.397 1.00 16.36 ? 183 TYR A CE1 1
2658ATOM 1357 C CE2 . TYR A 1 165 ? 4.558 -17.607 14.624 1.00 15.34 ? 183 TYR A CE2 1
2659ATOM 1358 C CZ . TYR A 1 165 ? 5.917 -17.852 14.509 1.00 16.27 ? 183 TYR A CZ 1
2660ATOM 1359 O OH . TYR A 1 165 ? 6.786 -16.794 14.498 1.00 15.70 ? 183 TYR A OH 1
2661ATOM 1360 N N . THR A 1 166 ? 2.189 -24.022 12.978 1.00 16.30 ? 184 THR A N 1
2662ATOM 1361 C CA . THR A 1 166 ? 1.349 -25.249 13.059 1.00 17.55 ? 184 THR A CA 1
2663ATOM 1362 C C . THR A 1 166 ? 1.227 -25.670 14.530 1.00 16.99 ? 184 THR A C 1
2664ATOM 1363 O O . THR A 1 166 ? 2.161 -25.427 15.327 1.00 15.79 ? 184 THR A O 1
2665ATOM 1364 C CB . THR A 1 166 ? 1.873 -26.369 12.145 1.00 18.04 ? 184 THR A CB 1
2666ATOM 1365 O OG1 . THR A 1 166 ? 3.273 -26.518 12.357 1.00 21.27 ? 184 THR A OG1 1
2667ATOM 1366 C CG2 . THR A 1 166 ? 1.687 -26.083 10.673 1.00 18.29 ? 184 THR A CG2 1
2668ATOM 1367 N N . ALA A 1 167 ? 0.103 -26.285 14.893 1.00 17.07 ? 185 ALA A N 1
2669ATOM 1368 C CA . ALA A 1 167 ? 0.005 -26.986 16.185 1.00 18.23 ? 185 ALA A CA 1
2670ATOM 1369 C C . ALA A 1 167 ? 0.765 -28.308 16.044 1.00 18.39 ? 185 ALA A C 1
2671ATOM 1370 O O . ALA A 1 167 ? 1.070 -28.728 14.899 1.00 17.09 ? 185 ALA A O 1
2672ATOM 1371 C CB . ALA A 1 167 ? -1.427 -27.193 16.587 1.00 18.72 ? 185 ALA A CB 1
2673ATOM 1372 N N . LYS A 1 168 ? 1.031 -28.941 17.175 1.00 19.50 ? 186 LYS A N 1
2674ATOM 1373 C CA . LYS A 1 168 ? 1.717 -30.254 17.252 1.00 20.51 ? 186 LYS A CA 1
2675ATOM 1374 C C . LYS A 1 168 ? 0.941 -31.259 16.410 1.00 18.72 ? 186 LYS A C 1
2676ATOM 1375 O O . LYS A 1 168 ? -0.265 -31.381 16.604 1.00 20.08 ? 186 LYS A O 1
2677ATOM 1376 C CB . LYS A 1 168 ? 1.862 -30.631 18.724 1.00 22.04 ? 186 LYS A CB 1
2678ATOM 1377 C CG . LYS A 1 168 ? 2.919 -29.792 19.438 1.00 23.83 ? 186 LYS A CG 1
2679ATOM 1378 C CD . LYS A 1 168 ? 2.834 -29.876 20.941 1.00 25.80 ? 186 LYS A CD 1
2680ATOM 1379 C CE . LYS A 1 168 ? 4.005 -29.250 21.679 1.00 27.03 ? 186 LYS A CE 1
2681ATOM 1380 N NZ . LYS A 1 168 ? 5.298 -29.523 21.014 1.00 26.79 ? 186 LYS A NZ 1
2682ATOM 1381 N N . GLY A 1 169 ? 1.623 -31.904 15.470 1.00 18.67 ? 187 GLY A N 1
2683ATOM 1382 C CA . GLY A 1 169 ? 1.049 -32.886 14.527 1.00 18.09 ? 187 GLY A CA 1
2684ATOM 1383 C C . GLY A 1 169 ? 0.454 -32.210 13.314 1.00 17.89 ? 187 GLY A C 1
2685ATOM 1384 O O . GLY A 1 169 ? 0.041 -32.919 12.402 1.00 18.24 ? 187 GLY A O 1
2686ATOM 1385 N N . ALA A 1 170 ? 0.403 -30.877 13.317 1.00 17.34 ? 188 ALA A N 1
2687ATOM 1386 C CA . ALA A 1 170 ? -0.185 -30.046 12.251 1.00 17.02 ? 188 ALA A CA 1
2688ATOM 1387 C C . ALA A 1 170 ? -1.612 -30.498 11.932 1.00 16.48 ? 188 ALA A C 1
2689ATOM 1388 O O . ALA A 1 170 ? -1.967 -30.735 10.775 1.00 16.14 ? 188 ALA A O 1
2690ATOM 1389 C CB . ALA A 1 170 ? 0.727 -30.071 11.043 1.00 17.71 ? 188 ALA A CB 1
2691ATOM 1390 N N . PRO A 1 171 ? -2.523 -30.574 12.926 1.00 16.52 ? 189 PRO A N 1
2692ATOM 1391 C CA . PRO A 1 171 ? -3.928 -30.851 12.629 1.00 16.87 ? 189 PRO A CA 1
2693ATOM 1392 C C . PRO A 1 171 ? -4.567 -29.649 11.906 1.00 18.02 ? 189 PRO A C 1
2694ATOM 1393 O O . PRO A 1 171 ? -4.023 -28.553 11.966 1.00 17.84 ? 189 PRO A O 1
2695ATOM 1394 C CB . PRO A 1 171 ? -4.527 -31.033 14.027 1.00 17.52 ? 189 PRO A CB 1
2696ATOM 1395 C CG . PRO A 1 171 ? -3.676 -30.128 14.906 1.00 16.99 ? 189 PRO A CG 1
2697ATOM 1396 C CD . PRO A 1 171 ? -2.284 -30.312 14.355 1.00 16.98 ? 189 PRO A CD 1
2698ATOM 1397 N N . PHE A 1 172 ? -5.691 -29.865 11.225 1.00 18.30 ? 190 PHE A N 1
2699ATOM 1398 C CA . PHE A 1 172 ? -6.643 -28.790 10.861 1.00 18.34 ? 190 PHE A CA 1
2700ATOM 1399 C C . PHE A 1 172 ? -7.176 -28.220 12.179 1.00 17.11 ? 190 PHE A C 1
2701ATOM 1400 O O . PHE A 1 172 ? -7.703 -29.017 13.011 1.00 14.59 ? 190 PHE A O 1
2702ATOM 1401 C CB . PHE A 1 172 ? -7.763 -29.334 9.968 1.00 21.22 ? 190 PHE A CB 1
2703ATOM 1402 C CG . PHE A 1 172 ? -7.295 -30.076 8.741 1.00 24.65 ? 190 PHE A CG 1
2704ATOM 1403 C CD1 . PHE A 1 172 ? -6.712 -29.397 7.678 1.00 24.27 ? 190 PHE A CD1 1
2705ATOM 1404 C CD2 . PHE A 1 172 ? -7.434 -31.455 8.653 1.00 27.24 ? 190 PHE A CD2 1
2706ATOM 1405 C CE1 . PHE A 1 172 ? -6.298 -30.074 6.544 1.00 25.30 ? 190 PHE A CE1 1
2707ATOM 1406 C CE2 . PHE A 1 172 ? -7.004 -32.135 7.521 1.00 27.98 ? 190 PHE A CE2 1
2708ATOM 1407 C CZ . PHE A 1 172 ? -6.443 -31.442 6.471 1.00 27.49 ? 190 PHE A CZ 1
2709ATOM 1408 N N . LEU A 1 173 ? -7.016 -26.908 12.381 1.00 16.05 ? 191 LEU A N 1
2710ATOM 1409 C CA . LEU A 1 173 ? -7.415 -26.222 13.636 1.00 16.41 ? 191 LEU A CA 1
2711ATOM 1410 C C . LEU A 1 173 ? -8.946 -26.237 13.757 1.00 17.37 ? 191 LEU A C 1
2712ATOM 1411 O O . LEU A 1 173 ? -9.441 -26.220 14.909 1.00 17.16 ? 191 LEU A O 1
2713ATOM 1412 C CB . LEU A 1 173 ? -6.817 -24.812 13.689 1.00 15.27 ? 191 LEU A CB 1
2714ATOM 1413 C CG . LEU A 1 173 ? -5.288 -24.762 13.729 1.00 15.69 ? 191 LEU A CG 1
2715ATOM 1414 C CD1 . LEU A 1 173 ? -4.759 -23.340 13.685 1.00 16.42 ? 191 LEU A CD1 1
2716ATOM 1415 C CD2 . LEU A 1 173 ? -4.728 -25.478 14.946 1.00 16.30 ? 191 LEU A CD2 1
2717ATOM 1416 N N . LYS A 1 174 ? -9.663 -26.317 12.631 1.00 17.35 ? 192 LYS A N 1
2718ATOM 1417 C CA . LYS A 1 174 ? -11.142 -26.369 12.599 1.00 18.28 ? 192 LYS A CA 1
2719ATOM 1418 C C . LYS A 1 174 ? -11.652 -27.661 13.237 1.00 17.37 ? 192 LYS A C 1
2720ATOM 1419 O O . LYS A 1 174 ? -12.854 -27.719 13.533 1.00 18.56 ? 192 LYS A O 1
2721ATOM 1420 C CB . LYS A 1 174 ? -11.680 -26.299 11.166 1.00 21.20 ? 192 LYS A CB 1
2722ATOM 1421 C CG . LYS A 1 174 ? -11.204 -27.399 10.220 1.00 23.73 ? 192 LYS A CG 1
2723ATOM 1422 C CD . LYS A 1 174 ? -11.971 -27.411 8.910 1.00 26.81 ? 192 LYS A CD 1
2724ATOM 1423 C CE . LYS A 1 174 ? -11.582 -28.554 7.992 1.00 30.62 ? 192 LYS A CE 1
2725ATOM 1424 N NZ . LYS A 1 174 ? -10.482 -28.149 7.075 1.00 34.14 ? 192 LYS A NZ 1
2726ATOM 1425 N N . ASP A 1 175 ? -10.839 -28.703 13.355 1.00 16.42 ? 193 ASP A N 1
2727ATOM 1426 C CA . ASP A 1 175 ? -11.354 -30.014 13.829 1.00 16.88 ? 193 ASP A CA 1
2728ATOM 1427 C C . ASP A 1 175 ? -11.450 -30.025 15.365 1.00 15.92 ? 193 ASP A C 1
2729ATOM 1428 O O . ASP A 1 175 ? -12.036 -30.947 15.873 1.00 14.54 ? 193 ASP A O 1
2730ATOM 1429 C CB . ASP A 1 175 ? -10.508 -31.181 13.307 1.00 17.93 ? 193 ASP A CB 1
2731ATOM 1430 C CG . ASP A 1 175 ? -10.672 -31.489 11.820 1.00 19.39 ? 193 ASP A CG 1
2732ATOM 1431 O OD1 . ASP A 1 175 ? -11.678 -31.038 11.218 1.00 19.59 ? 193 ASP A OD1 1
2733ATOM 1432 O OD2 . ASP A 1 175 ? -9.798 -32.220 11.273 1.00 19.47 ? 193 ASP A OD2 1
2734ATOM 1433 N N . GLN A 1 176 ? -10.881 -29.063 16.087 1.00 16.05 ? 194 GLN A N 1
2735ATOM 1434 C CA . GLN A 1 176 ? -10.850 -29.135 17.570 1.00 16.53 ? 194 GLN A CA 1
2736ATOM 1435 C C . GLN A 1 176 ? -10.611 -27.759 18.197 1.00 15.58 ? 194 GLN A C 1
2737ATOM 1436 O O . GLN A 1 176 ? -10.119 -26.840 17.493 1.00 14.45 ? 194 GLN A O 1
2738ATOM 1437 C CB . GLN A 1 176 ? -9.752 -30.103 18.001 1.00 19.57 ? 194 GLN A CB 1
2739ATOM 1438 C CG . GLN A 1 176 ? -9.692 -30.348 19.506 1.00 23.77 ? 194 GLN A CG 1
2740ATOM 1439 C CD . GLN A 1 176 ? -11.016 -30.743 20.131 1.00 26.21 ? 194 GLN A CD 1
2741ATOM 1440 O OE1 . GLN A 1 176 ? -11.618 -29.982 20.888 1.00 26.89 ? 194 GLN A OE1 1
2742ATOM 1441 N NE2 . GLN A 1 176 ? -11.468 -31.954 19.842 1.00 25.39 ? 194 GLN A NE2 1
2743ATOM 1442 N N . PHE A 1 177 ? -10.951 -27.607 19.483 1.00 13.35 ? 195 PHE A N 1
2744ATOM 1443 C CA . PHE A 1 177 ? -10.554 -26.414 20.270 1.00 12.51 ? 195 PHE A CA 1
2745ATOM 1444 C C . PHE A 1 177 ? -9.029 -26.389 20.393 1.00 12.15 ? 195 PHE A C 1
2746ATOM 1445 O O . PHE A 1 177 ? -8.400 -27.423 20.658 1.00 11.77 ? 195 PHE A O 1
2747ATOM 1446 C CB . PHE A 1 177 ? -11.217 -26.411 21.645 1.00 12.27 ? 195 PHE A CB 1
2748ATOM 1447 C CG . PHE A 1 177 ? -12.701 -26.199 21.588 1.00 12.01 ? 195 PHE A CG 1
2749ATOM 1448 C CD1 . PHE A 1 177 ? -13.214 -24.942 21.338 1.00 11.80 ? 195 PHE A CD1 1
2750ATOM 1449 C CD2 . PHE A 1 177 ? -13.584 -27.256 21.767 1.00 12.61 ? 195 PHE A CD2 1
2751ATOM 1450 C CE1 . PHE A 1 177 ? -14.578 -24.732 21.291 1.00 11.54 ? 195 PHE A CE1 1
2752ATOM 1451 C CE2 . PHE A 1 177 ? -14.953 -27.045 21.715 1.00 12.20 ? 195 PHE A CE2 1
2753ATOM 1452 C CZ . PHE A 1 177 ? -15.440 -25.781 21.466 1.00 12.11 ? 195 PHE A CZ 1
2754ATOM 1453 N N . HIS A 1 178 ? -8.450 -25.215 20.180 1.00 12.08 ? 196 HIS A N 1
2755ATOM 1454 C CA . HIS A 1 178 ? -7.026 -24.885 20.443 1.00 12.14 ? 196 HIS A CA 1
2756ATOM 1455 C C . HIS A 1 178 ? -6.991 -23.619 21.290 1.00 12.08 ? 196 HIS A C 1
2757ATOM 1456 O O . HIS A 1 178 ? -8.017 -22.907 21.344 1.00 12.35 ? 196 HIS A O 1
2758ATOM 1457 C CB . HIS A 1 178 ? -6.244 -24.718 19.133 1.00 12.10 ? 196 HIS A CB 1
2759ATOM 1458 C CG . HIS A 1 178 ? -6.076 -26.021 18.441 1.00 12.54 ? 196 HIS A CG 1
2760ATOM 1459 N ND1 . HIS A 1 178 ? -4.944 -26.784 18.579 1.00 12.51 ? 196 HIS A ND1 1
2761ATOM 1460 C CD2 . HIS A 1 178 ? -6.939 -26.744 17.699 1.00 13.47 ? 196 HIS A CD2 1
2762ATOM 1461 C CE1 . HIS A 1 178 ? -5.101 -27.903 17.902 1.00 13.07 ? 196 HIS A CE1 1
2763ATOM 1462 N NE2 . HIS A 1 178 ? -6.314 -27.904 17.353 1.00 13.17 ? 196 HIS A NE2 1
2764ATOM 1463 N N . ARG A 1 179 ? -5.855 -23.357 21.911 1.00 12.15 ? 197 ARG A N 1
2765ATOM 1464 C CA . ARG A 1 179 ? -5.613 -22.108 22.656 1.00 12.31 ? 197 ARG A CA 1
2766ATOM 1465 C C . ARG A 1 179 ? -4.673 -21.248 21.834 1.00 11.10 ? 197 ARG A C 1
2767ATOM 1466 O O . ARG A 1 179 ? -3.694 -21.797 21.284 1.00 10.99 ? 197 ARG A O 1
2768ATOM 1467 C CB . ARG A 1 179 ? -5.021 -22.415 24.025 1.00 13.23 ? 197 ARG A CB 1
2769ATOM 1468 C CG . ARG A 1 179 ? -5.945 -23.239 24.893 1.00 14.15 ? 197 ARG A CG 1
2770ATOM 1469 C CD . ARG A 1 179 ? -5.419 -23.231 26.300 1.00 15.62 ? 197 ARG A CD 1
2771ATOM 1470 N NE . ARG A 1 179 ? -4.341 -24.176 26.480 1.00 16.72 ? 197 ARG A NE 1
2772ATOM 1471 C CZ . ARG A 1 179 ? -3.210 -23.958 27.163 1.00 17.53 ? 197 ARG A CZ 1
2773ATOM 1472 N NH1 . ARG A 1 179 ? -2.910 -22.774 27.686 1.00 16.16 ? 197 ARG A NH1 1
2774ATOM 1473 N NH2 . ARG A 1 179 ? -2.354 -24.957 27.280 1.00 19.08 ? 197 ARG A NH2 1
2775ATOM 1474 N N . PHE A 1 180 ? -5.016 -19.968 21.723 1.00 10.45 ? 198 PHE A N 1
2776ATOM 1475 C CA . PHE A 1 180 ? -4.253 -18.926 20.999 1.00 10.15 ? 198 PHE A CA 1
2777ATOM 1476 C C . PHE A 1 180 ? -3.972 -17.842 22.027 1.00 10.58 ? 198 PHE A C 1
2778ATOM 1477 O O . PHE A 1 180 ? -4.942 -17.274 22.536 1.00 10.64 ? 198 PHE A O 1
2779ATOM 1478 C CB . PHE A 1 180 ? -5.025 -18.436 19.774 1.00 9.93 ? 198 PHE A CB 1
2780ATOM 1479 C CG . PHE A 1 180 ? -5.423 -19.539 18.828 1.00 9.36 ? 198 PHE A CG 1
2781ATOM 1480 C CD1 . PHE A 1 180 ? -6.594 -20.243 19.014 1.00 9.92 ? 198 PHE A CD1 1
2782ATOM 1481 C CD2 . PHE A 1 180 ? -4.626 -19.877 17.754 1.00 9.77 ? 198 PHE A CD2 1
2783ATOM 1482 C CE1 . PHE A 1 180 ? -6.963 -21.258 18.141 1.00 10.12 ? 198 PHE A CE1 1
2784ATOM 1483 C CE2 . PHE A 1 180 ? -4.986 -20.884 16.875 1.00 9.62 ? 198 PHE A CE2 1
2785ATOM 1484 C CZ . PHE A 1 180 ? -6.148 -21.590 17.079 1.00 10.00 ? 198 PHE A CZ 1
2786ATOM 1485 N N . GLY A 1 181 ? -2.692 -17.658 22.367 1.00 10.59 ? 199 GLY A N 1
2787ATOM 1486 C CA . GLY A 1 181 ? -2.227 -16.910 23.544 1.00 10.59 ? 199 GLY A CA 1
2788ATOM 1487 C C . GLY A 1 181 ? -1.256 -15.819 23.150 1.00 10.62 ? 199 GLY A C 1
2789ATOM 1488 O O . GLY A 1 181 ? -0.532 -15.997 22.164 1.00 10.87 ? 199 GLY A O 1
2790ATOM 1489 N N . CYS A 1 182 ? -1.268 -14.708 23.881 1.00 10.93 ? 200 CYS A N 1
2791ATOM 1490 C CA . CYS A 1 182 ? -0.289 -13.618 23.743 1.00 10.90 ? 200 CYS A CA 1
2792ATOM 1491 C C . CYS A 1 182 ? 0.121 -13.122 25.125 1.00 11.68 ? 200 CYS A C 1
2793ATOM 1492 O O . CYS A 1 182 ? -0.761 -12.666 25.891 1.00 11.11 ? 200 CYS A O 1
2794ATOM 1493 C CB . CYS A 1 182 ? -0.853 -12.467 22.954 1.00 11.05 ? 200 CYS A CB 1
2795ATOM 1494 S SG . CYS A 1 182 ? 0.423 -11.240 22.620 1.00 11.82 ? 200 CYS A SG 1
2796ATOM 1495 N N . HIS A 1 183 ? 1.415 -13.258 25.427 1.00 12.66 ? 201 HIS A N 1
2797ATOM 1496 C CA . HIS A 1 183 ? 2.094 -12.605 26.573 1.00 13.01 ? 201 HIS A CA 1
2798ATOM 1497 C C . HIS A 1 183 ? 2.631 -11.254 26.098 1.00 12.67 ? 201 HIS A C 1
2799ATOM 1498 O O . HIS A 1 183 ? 3.712 -11.218 25.504 1.00 11.59 ? 201 HIS A O 1
2800ATOM 1499 C CB . HIS A 1 183 ? 3.197 -13.474 27.177 1.00 13.39 ? 201 HIS A CB 1
2801ATOM 1500 C CG . HIS A 1 183 ? 3.843 -12.823 28.358 1.00 14.12 ? 201 HIS A CG 1
2802ATOM 1501 N ND1 . HIS A 1 183 ? 5.022 -13.288 28.918 1.00 14.56 ? 201 HIS A ND1 1
2803ATOM 1502 C CD2 . HIS A 1 183 ? 3.468 -11.751 29.082 1.00 14.25 ? 201 HIS A CD2 1
2804ATOM 1503 C CE1 . HIS A 1 183 ? 5.330 -12.531 29.942 1.00 15.08 ? 201 HIS A CE1 1
2805ATOM 1504 N NE2 . HIS A 1 183 ? 4.381 -11.585 30.067 1.00 15.26 ? 201 HIS A NE2 1
2806ATOM 1505 N N . TRP A 1 184 ? 1.857 -10.203 26.345 1.00 12.76 ? 202 TRP A N 1
2807ATOM 1506 C CA . TRP A 1 184 ? 2.203 -8.809 25.991 1.00 13.92 ? 202 TRP A CA 1
2808ATOM 1507 C C . TRP A 1 184 ? 3.039 -8.211 27.127 1.00 14.41 ? 202 TRP A C 1
2809ATOM 1508 O O . TRP A 1 184 ? 2.455 -7.899 28.171 1.00 16.28 ? 202 TRP A O 1
2810ATOM 1509 C CB . TRP A 1 184 ? 0.932 -8.015 25.716 1.00 13.12 ? 202 TRP A CB 1
2811ATOM 1510 C CG . TRP A 1 184 ? 1.180 -6.585 25.360 1.00 13.42 ? 202 TRP A CG 1
2812ATOM 1511 C CD1 . TRP A 1 184 ? 2.350 -6.002 24.971 1.00 13.13 ? 202 TRP A CD1 1
2813ATOM 1512 C CD2 . TRP A 1 184 ? 0.185 -5.558 25.325 1.00 13.01 ? 202 TRP A CD2 1
2814ATOM 1513 N NE1 . TRP A 1 184 ? 2.141 -4.676 24.698 1.00 13.68 ? 202 TRP A NE1 1
2815ATOM 1514 C CE2 . TRP A 1 184 ? 0.829 -4.373 24.926 1.00 13.00 ? 202 TRP A CE2 1
2816ATOM 1515 C CE3 . TRP A 1 184 ? -1.191 -5.533 25.591 1.00 13.02 ? 202 TRP A CE3 1
2817ATOM 1516 C CZ2 . TRP A 1 184 ? 0.135 -3.175 24.775 1.00 13.08 ? 202 TRP A CZ2 1
2818ATOM 1517 C CZ3 . TRP A 1 184 ? -1.873 -4.350 25.437 1.00 12.39 ? 202 TRP A CZ3 1
2819ATOM 1518 C CH2 . TRP A 1 184 ? -1.217 -3.188 25.039 1.00 12.49 ? 202 TRP A CH2 1
2820ATOM 1519 N N . LYS A 1 185 ? 4.357 -8.147 26.956 1.00 14.99 ? 203 LYS A N 1
2821ATOM 1520 C CA . LYS A 1 185 ? 5.310 -7.961 28.087 1.00 16.99 ? 203 LYS A CA 1
2822ATOM 1521 C C . LYS A 1 185 ? 5.568 -6.470 28.316 1.00 15.94 ? 203 LYS A C 1
2823ATOM 1522 O O . LYS A 1 185 ? 5.564 -6.026 29.484 1.00 15.80 ? 203 LYS A O 1
2824ATOM 1523 C CB . LYS A 1 185 ? 6.601 -8.720 27.799 1.00 17.68 ? 203 LYS A CB 1
2825ATOM 1524 C CG . LYS A 1 185 ? 6.395 -10.199 27.596 1.00 19.39 ? 203 LYS A CG 1
2826ATOM 1525 C CD . LYS A 1 185 ? 7.689 -10.987 27.543 1.00 21.11 ? 203 LYS A CD 1
2827ATOM 1526 C CE . LYS A 1 185 ? 8.243 -11.120 26.155 1.00 23.30 ? 203 LYS A CE 1
2828ATOM 1527 N NZ . LYS A 1 185 ? 9.355 -12.091 26.152 1.00 25.50 ? 203 LYS A NZ 1
2829ATOM 1528 N N . ASP A 1 186 ? 5.755 -5.720 27.237 1.00 15.21 ? 204 ASP A N 1
2830ATOM 1529 C CA . ASP A 1 186 ? 5.941 -4.253 27.332 1.00 15.40 ? 204 ASP A CA 1
2831ATOM 1530 C C . ASP A 1 186 ? 5.628 -3.656 25.966 1.00 13.98 ? 204 ASP A C 1
2832ATOM 1531 O O . ASP A 1 186 ? 5.055 -4.353 25.130 1.00 13.31 ? 204 ASP A O 1
2833ATOM 1532 C CB . ASP A 1 186 ? 7.348 -3.939 27.861 1.00 16.43 ? 204 ASP A CB 1
2834ATOM 1533 C CG . ASP A 1 186 ? 8.459 -4.357 26.920 1.00 17.30 ? 204 ASP A CG 1
2835ATOM 1534 O OD1 . ASP A 1 186 ? 8.238 -4.344 25.688 1.00 17.49 ? 204 ASP A OD1 1
2836ATOM 1535 O OD2 . ASP A 1 186 ? 9.550 -4.701 27.425 1.00 22.03 ? 204 ASP A OD2 1
2837ATOM 1536 N N . ALA A 1 187 ? 6.020 -2.410 25.739 1.00 12.94 ? 205 ALA A N 1
2838ATOM 1537 C CA . ALA A 1 187 ? 5.582 -1.654 24.554 1.00 12.93 ? 205 ALA A CA 1
2839ATOM 1538 C C . ALA A 1 187 ? 6.222 -2.249 23.301 1.00 12.79 ? 205 ALA A C 1
2840ATOM 1539 O O . ALA A 1 187 ? 5.695 -1.968 22.228 1.00 12.68 ? 205 ALA A O 1
2841ATOM 1540 C CB . ALA A 1 187 ? 5.884 -0.180 24.725 1.00 12.75 ? 205 ALA A CB 1
2842ATOM 1541 N N . TYR A 1 188 ? 7.323 -3.004 23.428 1.00 13.11 ? 206 TYR A N 1
2843ATOM 1542 C CA . TYR A 1 188 ? 8.121 -3.490 22.277 1.00 13.57 ? 206 TYR A CA 1
2844ATOM 1543 C C . TYR A 1 188 ? 8.210 -5.019 22.239 1.00 13.39 ? 206 TYR A C 1
2845ATOM 1544 O O . TYR A 1 188 ? 8.724 -5.523 21.225 1.00 13.87 ? 206 TYR A O 1
2846ATOM 1545 C CB . TYR A 1 188 ? 9.496 -2.816 22.264 1.00 15.20 ? 206 TYR A CB 1
2847ATOM 1546 C CG . TYR A 1 188 ? 9.423 -1.309 22.337 1.00 15.88 ? 206 TYR A CG 1
2848ATOM 1547 C CD1 . TYR A 1 188 ? 9.223 -0.527 21.210 1.00 16.50 ? 206 TYR A CD1 1
2849ATOM 1548 C CD2 . TYR A 1 188 ? 9.503 -0.664 23.556 1.00 16.93 ? 206 TYR A CD2 1
2850ATOM 1549 C CE1 . TYR A 1 188 ? 9.125 0.857 21.291 1.00 17.35 ? 206 TYR A CE1 1
2851ATOM 1550 C CE2 . TYR A 1 188 ? 9.391 0.715 23.657 1.00 18.52 ? 206 TYR A CE2 1
2852ATOM 1551 C CZ . TYR A 1 188 ? 9.204 1.483 22.522 1.00 18.23 ? 206 TYR A CZ 1
2853ATOM 1552 O OH . TYR A 1 188 ? 9.092 2.842 22.660 1.00 21.29 ? 206 TYR A OH 1
2854ATOM 1553 N N . HIS A 1 189 ? 7.649 -5.756 23.201 1.00 13.78 ? 207 HIS A N 1
2855ATOM 1554 C CA . HIS A 1 189 ? 7.838 -7.236 23.263 1.00 13.64 ? 207 HIS A CA 1
2856ATOM 1555 C C . HIS A 1 189 ? 6.522 -7.973 23.543 1.00 14.07 ? 207 HIS A C 1
2857ATOM 1556 O O . HIS A 1 189 ? 5.751 -7.560 24.455 1.00 14.38 ? 207 HIS A O 1
2858ATOM 1557 C CB . HIS A 1 189 ? 8.936 -7.558 24.271 1.00 14.17 ? 207 HIS A CB 1
2859ATOM 1558 C CG . HIS A 1 189 ? 10.179 -6.761 24.031 1.00 14.79 ? 207 HIS A CG 1
2860ATOM 1559 N ND1 . HIS A 1 189 ? 10.531 -5.678 24.821 1.00 14.98 ? 207 HIS A ND1 1
2861ATOM 1560 C CD2 . HIS A 1 189 ? 11.120 -6.865 23.070 1.00 14.89 ? 207 HIS A CD2 1
2862ATOM 1561 C CE1 . HIS A 1 189 ? 11.653 -5.159 24.355 1.00 16.65 ? 207 HIS A CE1 1
2863ATOM 1562 N NE2 . HIS A 1 189 ? 12.023 -5.862 23.258 1.00 16.19 ? 207 HIS A NE2 1
2864ATOM 1563 N N . ALA A 1 190 ? 6.284 -9.039 22.782 1.00 13.05 ? 208 ALA A N 1
2865ATOM 1564 C CA . ALA A 1 190 ? 5.163 -9.964 22.986 1.00 13.29 ? 208 ALA A CA 1
2866ATOM 1565 C C . ALA A 1 190 ? 5.596 -11.364 22.559 1.00 12.87 ? 208 ALA A C 1
2867ATOM 1566 O O . ALA A 1 190 ? 6.276 -11.493 21.542 1.00 12.04 ? 208 ALA A O 1
2868ATOM 1567 C CB . ALA A 1 190 ? 3.931 -9.496 22.239 1.00 13.31 ? 208 ALA A CB 1
2869ATOM 1568 N N . ASP A 1 191 ? 5.207 -12.358 23.353 1.00 13.17 ? 209 ASP A N 1
2870ATOM 1569 C CA . ASP A 1 191 ? 5.368 -13.803 23.055 1.00 13.41 ? 209 ASP A CA 1
2871ATOM 1570 C C . ASP A 1 191 ? 3.989 -14.383 22.700 1.00 13.71 ? 209 ASP A C 1
2872ATOM 1571 O O . ASP A 1 191 ? 3.000 -14.064 23.386 1.00 13.71 ? 209 ASP A O 1
2873ATOM 1572 C CB . ASP A 1 191 ? 6.019 -14.510 24.246 1.00 13.46 ? 209 ASP A CB 1
2874ATOM 1573 C CG . ASP A 1 191 ? 7.485 -14.146 24.453 1.00 13.93 ? 209 ASP A CG 1
2875ATOM 1574 O OD1 . ASP A 1 191 ? 8.177 -13.816 23.433 1.00 13.34 ? 209 ASP A OD1 1
2876ATOM 1575 O OD2 . ASP A 1 191 ? 7.932 -14.198 25.630 1.00 14.51 ? 209 ASP A OD2 1
2877ATOM 1576 N N . PHE A 1 192 ? 3.945 -15.200 21.659 1.00 13.32 ? 210 PHE A N 1
2878ATOM 1577 C CA . PHE A 1 192 ? 2.740 -15.922 21.189 1.00 12.70 ? 210 PHE A CA 1
2879ATOM 1578 C C . PHE A 1 192 ? 2.898 -17.411 21.519 1.00 12.03 ? 210 PHE A C 1
2880ATOM 1579 O O . PHE A 1 192 ? 4.014 -17.978 21.435 1.00 11.11 ? 210 PHE A O 1
2881ATOM 1580 C CB . PHE A 1 192 ? 2.500 -15.697 19.697 1.00 12.49 ? 210 PHE A CB 1
2882ATOM 1581 C CG . PHE A 1 192 ? 2.310 -14.245 19.349 1.00 12.46 ? 210 PHE A CG 1
2883ATOM 1582 C CD1 . PHE A 1 192 ? 3.394 -13.401 19.276 1.00 11.86 ? 210 PHE A CD1 1
2884ATOM 1583 C CD2 . PHE A 1 192 ? 1.043 -13.727 19.129 1.00 12.32 ? 210 PHE A CD2 1
2885ATOM 1584 C CE1 . PHE A 1 192 ? 3.227 -12.058 19.001 1.00 12.27 ? 210 PHE A CE1 1
2886ATOM 1585 C CE2 . PHE A 1 192 ? 0.882 -12.395 18.802 1.00 12.64 ? 210 PHE A CE2 1
2887ATOM 1586 C CZ . PHE A 1 192 ? 1.970 -11.563 18.744 1.00 12.35 ? 210 PHE A CZ 1
2888ATOM 1587 N N . TYR A 1 193 ? 1.754 -17.996 21.870 1.00 11.42 ? 211 TYR A N 1
2889ATOM 1588 C CA . TYR A 1 193 ? 1.584 -19.348 22.436 1.00 11.15 ? 211 TYR A CA 1
2890ATOM 1589 C C . TYR A 1 193 ? 0.418 -20.038 21.735 1.00 10.60 ? 211 TYR A C 1
2891ATOM 1590 O O . TYR A 1 193 ? -0.675 -19.439 21.570 1.00 10.89 ? 211 TYR A O 1
2892ATOM 1591 C CB . TYR A 1 193 ? 1.290 -19.232 23.934 1.00 12.13 ? 211 TYR A CB 1
2893ATOM 1592 C CG . TYR A 1 193 ? 2.456 -18.795 24.776 1.00 12.70 ? 211 TYR A CG 1
2894ATOM 1593 C CD1 . TYR A 1 193 ? 2.743 -17.455 24.967 1.00 13.11 ? 211 TYR A CD1 1
2895ATOM 1594 C CD2 . TYR A 1 193 ? 3.289 -19.734 25.372 1.00 13.46 ? 211 TYR A CD2 1
2896ATOM 1595 C CE1 . TYR A 1 193 ? 3.836 -17.059 25.721 1.00 13.93 ? 211 TYR A CE1 1
2897ATOM 1596 C CE2 . TYR A 1 193 ? 4.368 -19.351 26.155 1.00 13.42 ? 211 TYR A CE2 1
2898ATOM 1597 C CZ . TYR A 1 193 ? 4.641 -18.010 26.337 1.00 14.07 ? 211 TYR A CZ 1
2899ATOM 1598 O OH . TYR A 1 193 ? 5.695 -17.627 27.129 1.00 14.01 ? 211 TYR A OH 1
2900ATOM 1599 N N . LEU A 1 194 ? 0.667 -21.263 21.323 1.00 10.07 ? 212 LEU A N 1
2901ATOM 1600 C CA . LEU A 1 194 ? -0.304 -22.185 20.708 1.00 10.21 ? 212 LEU A CA 1
2902ATOM 1601 C C . LEU A 1 194 ? -0.363 -23.403 21.616 1.00 10.31 ? 212 LEU A C 1
2903ATOM 1602 O O . LEU A 1 194 ? 0.705 -24.040 21.833 1.00 10.45 ? 212 LEU A O 1
2904ATOM 1603 C CB . LEU A 1 194 ? 0.182 -22.555 19.307 1.00 10.04 ? 212 LEU A CB 1
2905ATOM 1604 C CG . LEU A 1 194 ? -0.678 -23.501 18.476 1.00 10.35 ? 212 LEU A CG 1
2906ATOM 1605 C CD1 . LEU A 1 194 ? -2.164 -23.149 18.544 1.00 10.60 ? 212 LEU A CD1 1
2907ATOM 1606 C CD2 . LEU A 1 194 ? -0.203 -23.488 17.014 1.00 10.47 ? 212 LEU A CD2 1
2908ATOM 1607 N N . ASP A 1 195 ? -1.543 -23.663 22.156 1.00 9.99 ? 213 ASP A N 1
2909ATOM 1608 C CA . ASP A 1 195 ? -1.825 -24.770 23.091 1.00 10.41 ? 213 ASP A CA 1
2910ATOM 1609 C C . ASP A 1 195 ? -0.809 -24.739 24.230 1.00 11.16 ? 213 ASP A C 1
2911ATOM 1610 O O . ASP A 1 195 ? -0.330 -25.803 24.604 1.00 10.54 ? 213 ASP A O 1
2912ATOM 1611 C CB . ASP A 1 195 ? -1.876 -26.101 22.346 1.00 10.38 ? 213 ASP A CB 1
2913ATOM 1612 C CG . ASP A 1 195 ? -3.043 -26.139 21.372 1.00 10.56 ? 213 ASP A CG 1
2914ATOM 1613 O OD1 . ASP A 1 195 ? -4.190 -25.728 21.790 1.00 9.96 ? 213 ASP A OD1 1
2915ATOM 1614 O OD2 . ASP A 1 195 ? -2.795 -26.516 20.204 1.00 9.95 ? 213 ASP A OD2 1
2916ATOM 1615 N N . GLY A 1 196 ? -0.486 -23.544 24.727 1.00 12.23 ? 214 GLY A N 1
2917ATOM 1616 C CA . GLY A 1 196 ? 0.406 -23.359 25.886 1.00 12.66 ? 214 GLY A CA 1
2918ATOM 1617 C C . GLY A 1 196 ? 1.871 -23.436 25.517 1.00 13.49 ? 214 GLY A C 1
2919ATOM 1618 O O . GLY A 1 196 ? 2.684 -23.330 26.436 1.00 14.57 ? 214 GLY A O 1
2920ATOM 1619 N N . THR A 1 197 ? 2.219 -23.661 24.247 1.00 14.60 ? 215 THR A N 1
2921ATOM 1620 C CA . THR A 1 197 ? 3.639 -23.767 23.803 1.00 15.51 ? 215 THR A CA 1
2922ATOM 1621 C C . THR A 1 197 ? 4.046 -22.492 23.063 1.00 16.29 ? 215 THR A C 1
2923ATOM 1622 O O . THR A 1 197 ? 3.256 -21.981 22.216 1.00 14.97 ? 215 THR A O 1
2924ATOM 1623 C CB . THR A 1 197 ? 3.917 -24.949 22.863 1.00 16.03 ? 215 THR A CB 1
2925ATOM 1624 O OG1 . THR A 1 197 ? 3.696 -26.190 23.531 1.00 16.88 ? 215 THR A OG1 1
2926ATOM 1625 C CG2 . THR A 1 197 ? 5.340 -24.958 22.335 1.00 16.12 ? 215 THR A CG2 1
2927ATOM 1626 N N . LEU A 1 198 ? 5.267 -22.037 23.320 1.00 16.66 ? 216 LEU A N 1
2928ATOM 1627 C CA . LEU A 1 198 ? 5.765 -20.752 22.795 1.00 16.66 ? 216 LEU A CA 1
2929ATOM 1628 C C . LEU A 1 198 ? 6.070 -20.957 21.322 1.00 16.33 ? 216 LEU A C 1
2930ATOM 1629 O O . LEU A 1 198 ? 6.778 -21.900 21.042 1.00 19.71 ? 216 LEU A O 1
2931ATOM 1630 C CB . LEU A 1 198 ? 7.005 -20.387 23.603 1.00 17.51 ? 216 LEU A CB 1
2932ATOM 1631 C CG . LEU A 1 198 ? 7.769 -19.151 23.140 1.00 19.31 ? 216 LEU A CG 1
2933ATOM 1632 C CD1 . LEU A 1 198 ? 6.874 -17.926 23.128 1.00 18.90 ? 216 LEU A CD1 1
2934ATOM 1633 C CD2 . LEU A 1 198 ? 8.984 -18.916 24.038 1.00 21.11 ? 216 LEU A CD2 1
2935ATOM 1634 N N . VAL A 1 199 ? 5.566 -20.115 20.419 1.00 15.38 ? 217 VAL A N 1
2936ATOM 1635 C CA . VAL A 1 199 ? 5.869 -20.260 18.972 1.00 14.88 ? 217 VAL A CA 1
2937ATOM 1636 C C . VAL A 1 199 ? 6.536 -18.995 18.416 1.00 15.58 ? 217 VAL A C 1
2938ATOM 1637 O O . VAL A 1 199 ? 7.019 -19.033 17.269 1.00 16.46 ? 217 VAL A O 1
2939ATOM 1638 C CB . VAL A 1 199 ? 4.586 -20.614 18.207 1.00 15.24 ? 217 VAL A CB 1
2940ATOM 1639 C CG1 . VAL A 1 199 ? 4.065 -21.986 18.628 1.00 15.36 ? 217 VAL A CG1 1
2941ATOM 1640 C CG2 . VAL A 1 199 ? 3.501 -19.549 18.379 1.00 15.90 ? 217 VAL A CG2 1
2942ATOM 1641 N N . ARG A 1 200 ? 6.526 -17.879 19.135 1.00 15.30 ? 218 ARG A N 1
2943ATOM 1642 C CA . ARG A 1 200 ? 7.045 -16.619 18.549 1.00 15.01 ? 218 ARG A CA 1
2944ATOM 1643 C C . ARG A 1 200 ? 7.444 -15.660 19.650 1.00 14.60 ? 218 ARG A C 1
2945ATOM 1644 O O . ARG A 1 200 ? 6.589 -15.340 20.491 1.00 15.56 ? 218 ARG A O 1
2946ATOM 1645 C CB . ARG A 1 200 ? 6.042 -15.941 17.620 1.00 15.03 ? 218 ARG A CB 1
2947ATOM 1646 C CG . ARG A 1 200 ? 6.543 -14.631 17.027 1.00 14.67 ? 218 ARG A CG 1
2948ATOM 1647 C CD . ARG A 1 200 ? 5.533 -13.962 16.109 1.00 14.58 ? 218 ARG A CD 1
2949ATOM 1648 N NE . ARG A 1 200 ? 6.162 -13.044 15.165 1.00 14.60 ? 218 ARG A NE 1
2950ATOM 1649 C CZ . ARG A 1 200 ? 5.551 -12.368 14.194 1.00 14.54 ? 218 ARG A CZ 1
2951ATOM 1650 N NH1 . ARG A 1 200 ? 4.251 -12.478 13.991 1.00 14.74 ? 218 ARG A NH1 1
2952ATOM 1651 N NH2 . ARG A 1 200 ? 6.253 -11.574 13.408 1.00 14.58 ? 218 ARG A NH2 1
2953ATOM 1652 N N . GLN A 1 201 ? 8.687 -15.197 19.555 1.00 14.92 ? 219 GLN A N 1
2954ATOM 1653 C CA . GLN A 1 201 ? 9.297 -14.157 20.412 1.00 15.38 ? 219 GLN A CA 1
2955ATOM 1654 C C . GLN A 1 201 ? 9.378 -12.884 19.568 1.00 15.54 ? 219 GLN A C 1
2956ATOM 1655 O O . GLN A 1 201 ? 10.242 -12.781 18.693 1.00 15.88 ? 219 GLN A O 1
2957ATOM 1656 C CB . GLN A 1 201 ? 10.638 -14.691 20.931 1.00 16.18 ? 219 GLN A CB 1
2958ATOM 1657 C CG . GLN A 1 201 ? 10.514 -15.960 21.780 1.00 15.59 ? 219 GLN A CG 1
2959ATOM 1658 C CD . GLN A 1 201 ? 11.853 -16.523 22.179 1.00 16.36 ? 219 GLN A CD 1
2960ATOM 1659 O OE1 . GLN A 1 201 ? 12.773 -15.782 22.494 1.00 16.58 ? 219 GLN A OE1 1
2961ATOM 1660 N NE2 . GLN A 1 201 ? 11.974 -17.846 22.204 1.00 16.07 ? 219 GLN A NE2 1
2962ATOM 1661 N N . LEU A 1 202 ? 8.403 -11.996 19.725 1.00 15.76 ? 220 LEU A N 1
2963ATOM 1662 C CA . LEU A 1 202 ? 8.270 -10.818 18.841 1.00 14.41 ? 220 LEU A CA 1
2964ATOM 1663 C C . LEU A 1 202 ? 8.960 -9.624 19.505 1.00 14.09 ? 220 LEU A C 1
2965ATOM 1664 O O . LEU A 1 202 ? 8.725 -9.372 20.720 1.00 13.68 ? 220 LEU A O 1
2966ATOM 1665 C CB . LEU A 1 202 ? 6.788 -10.532 18.577 1.00 13.70 ? 220 LEU A CB 1
2967ATOM 1666 C CG . LEU A 1 202 ? 6.495 -9.192 17.901 1.00 12.79 ? 220 LEU A CG 1
2968ATOM 1667 C CD1 . LEU A 1 202 ? 7.164 -9.120 16.534 1.00 12.99 ? 220 LEU A CD1 1
2969ATOM 1668 C CD2 . LEU A 1 202 ? 4.997 -8.985 17.746 1.00 13.46 ? 220 LEU A CD2 1
2970ATOM 1669 N N . THR A 1 203 ? 9.746 -8.893 18.728 1.00 13.16 ? 221 THR A N 1
2971ATOM 1670 C CA . THR A 1 203 ? 10.155 -7.512 19.092 1.00 14.17 ? 221 THR A CA 1
2972ATOM 1671 C C . THR A 1 203 ? 9.485 -6.571 18.094 1.00 14.76 ? 221 THR A C 1
2973ATOM 1672 O O . THR A 1 203 ? 9.540 -6.814 16.842 1.00 13.83 ? 221 THR A O 1
2974ATOM 1673 C CB . THR A 1 203 ? 11.683 -7.337 19.162 1.00 13.90 ? 221 THR A CB 1
2975ATOM 1674 O OG1 . THR A 1 203 ? 12.215 -8.271 20.106 1.00 12.55 ? 221 THR A OG1 1
2976ATOM 1675 C CG2 . THR A 1 203 ? 12.063 -5.926 19.578 1.00 13.88 ? 221 THR A CG2 1
2977ATOM 1676 N N . ILE A 1 204 ? 8.799 -5.570 18.619 1.00 16.87 ? 222 ILE A N 1
2978ATOM 1677 C CA . ILE A 1 204 ? 8.073 -4.599 17.756 1.00 18.84 ? 222 ILE A CA 1
2979ATOM 1678 C C . ILE A 1 204 ? 9.054 -3.519 17.323 1.00 19.28 ? 222 ILE A C 1
2980ATOM 1679 O O . ILE A 1 204 ? 9.775 -3.009 18.189 1.00 19.70 ? 222 ILE A O 1
2981ATOM 1680 C CB . ILE A 1 204 ? 6.843 -4.025 18.477 1.00 20.23 ? 222 ILE A CB 1
2982ATOM 1681 C CG1 . ILE A 1 204 ? 5.682 -5.016 18.389 1.00 21.04 ? 222 ILE A CG1 1
2983ATOM 1682 C CG2 . ILE A 1 204 ? 6.479 -2.649 17.935 1.00 20.08 ? 222 ILE A CG2 1
2984ATOM 1683 C CD1 . ILE A 1 204 ? 4.791 -5.022 19.604 1.00 22.76 ? 222 ILE A CD1 1
2985ATOM 1684 N N . GLU A 1 205 ? 9.038 -3.208 16.027 1.00 21.87 ? 223 GLU A N 1
2986ATOM 1685 C CA . GLU A 1 205 ? 9.775 -2.089 15.395 1.00 24.11 ? 223 GLU A CA 1
2987ATOM 1686 C C . GLU A 1 205 ? 8.793 -0.961 15.085 1.00 20.14 ? 223 GLU A C 1
2988ATOM 1687 O O . GLU A 1 205 ? 7.981 -1.145 14.159 1.00 22.52 ? 223 GLU A O 1
2989ATOM 1688 C CB . GLU A 1 205 ? 10.480 -2.573 14.122 1.00 30.00 ? 223 GLU A CB 1
2990ATOM 1689 C CG . GLU A 1 205 ? 11.597 -3.590 14.377 1.00 37.82 ? 223 GLU A CG 1
2991ATOM 1690 C CD . GLU A 1 205 ? 12.737 -3.180 15.313 1.00 43.98 ? 223 GLU A CD 1
2992ATOM 1691 O OE1 . GLU A 1 205 ? 12.714 -2.038 15.839 1.00 45.36 ? 223 GLU A OE1 1
2993ATOM 1692 O OE2 . GLU A 1 205 ? 13.664 -4.014 15.524 1.00 50.84 ? 223 GLU A OE2 1
2994ATOM 1693 N N . ASP A 1 206 ? 8.869 0.164 15.804 1.00 16.87 ? 224 ASP A N 1
2995ATOM 1694 C CA . ASP A 1 206 ? 7.939 1.320 15.627 1.00 15.03 ? 224 ASP A CA 1
2996ATOM 1695 C C . ASP A 1 206 ? 8.605 2.401 14.777 1.00 14.76 ? 224 ASP A C 1
2997ATOM 1696 O O . ASP A 1 206 ? 9.514 3.052 15.261 1.00 13.70 ? 224 ASP A O 1
2998ATOM 1697 C CB . ASP A 1 206 ? 7.510 1.867 16.990 1.00 13.57 ? 224 ASP A CB 1
2999ATOM 1698 C CG . ASP A 1 206 ? 6.389 2.889 16.899 1.00 12.96 ? 224 ASP A CG 1
3000ATOM 1699 O OD1 . ASP A 1 206 ? 6.049 3.284 15.750 1.00 11.20 ? 224 ASP A OD1 1
3001ATOM 1700 O OD2 . ASP A 1 206 ? 5.865 3.287 17.979 1.00 11.52 ? 224 ASP A OD2 1
3002ATOM 1701 N N . PRO A 1 207 ? 8.199 2.640 13.502 1.00 14.81 ? 225 PRO A N 1
3003ATOM 1702 C CA . PRO A 1 207 ? 8.819 3.670 12.657 1.00 14.56 ? 225 PRO A CA 1
3004ATOM 1703 C C . PRO A 1 207 ? 8.147 5.052 12.758 1.00 14.83 ? 225 PRO A C 1
3005ATOM 1704 O O . PRO A 1 207 ? 8.467 5.956 12.003 1.00 14.97 ? 225 PRO A O 1
3006ATOM 1705 C CB . PRO A 1 207 ? 8.598 3.126 11.234 1.00 13.88 ? 225 PRO A CB 1
3007ATOM 1706 C CG . PRO A 1 207 ? 7.259 2.435 11.342 1.00 14.44 ? 225 PRO A CG 1
3008ATOM 1707 C CD . PRO A 1 207 ? 7.152 1.911 12.771 1.00 14.27 ? 225 PRO A CD 1
3009ATOM 1708 N N . ARG A 1 208 ? 7.215 5.203 13.692 1.00 14.04 ? 226 ARG A N 1
3010ATOM 1709 C CA . ARG A 1 208 ? 6.514 6.491 13.901 1.00 13.10 ? 226 ARG A CA 1
3011ATOM 1710 C C . ARG A 1 208 ? 7.515 7.549 14.375 1.00 12.63 ? 226 ARG A C 1
3012ATOM 1711 O O . ARG A 1 208 ? 8.521 7.211 15.023 1.00 12.09 ? 226 ARG A O 1
3013ATOM 1712 C CB . ARG A 1 208 ? 5.339 6.334 14.873 1.00 12.99 ? 226 ARG A CB 1
3014ATOM 1713 C CG . ARG A 1 208 ? 4.135 5.616 14.263 1.00 13.44 ? 226 ARG A CG 1
3015ATOM 1714 C CD . ARG A 1 208 ? 2.998 5.440 15.266 1.00 13.68 ? 226 ARG A CD 1
3016ATOM 1715 N NE . ARG A 1 208 ? 3.460 4.688 16.429 1.00 13.90 ? 226 ARG A NE 1
3017ATOM 1716 C CZ . ARG A 1 208 ? 2.750 4.460 17.529 1.00 13.96 ? 226 ARG A CZ 1
3018ATOM 1717 N NH1 . ARG A 1 208 ? 1.509 4.892 17.621 1.00 13.54 ? 226 ARG A NH1 1
3019ATOM 1718 N NH2 . ARG A 1 208 ? 3.283 3.791 18.538 1.00 14.48 ? 226 ARG A NH2 1
3020ATOM 1719 N N . THR A 1 209 ? 7.234 8.796 14.024 1.00 12.55 ? 227 THR A N 1
3021ATOM 1720 C CA . THR A 1 209 ? 7.886 10.011 14.559 1.00 12.37 ? 227 THR A CA 1
3022ATOM 1721 C C . THR A 1 209 ? 8.094 9.856 16.068 1.00 12.39 ? 227 THR A C 1
3023ATOM 1722 O O . THR A 1 209 ? 9.232 10.054 16.533 1.00 12.61 ? 227 THR A O 1
3024ATOM 1723 C CB . THR A 1 209 ? 7.010 11.210 14.195 1.00 12.26 ? 227 THR A CB 1
3025ATOM 1724 O OG1 . THR A 1 209 ? 6.973 11.259 12.766 1.00 11.52 ? 227 THR A OG1 1
3026ATOM 1725 C CG2 . THR A 1 209 ? 7.563 12.500 14.739 1.00 12.84 ? 227 THR A CG2 1
3027ATOM 1726 N N . SER A 1 210 ? 7.054 9.441 16.791 1.00 12.32 ? 228 SER A N 1
3028ATOM 1727 C CA . SER A 1 210 ? 7.112 9.126 18.243 1.00 12.46 ? 228 SER A CA 1
3029ATOM 1728 C C . SER A 1 210 ? 7.076 7.604 18.427 1.00 13.09 ? 228 SER A C 1
3030ATOM 1729 O O . SER A 1 210 ? 5.964 7.039 18.488 1.00 13.29 ? 228 SER A O 1
3031ATOM 1730 C CB . SER A 1 210 ? 5.998 9.793 18.987 1.00 11.91 ? 228 SER A CB 1
3032ATOM 1731 O OG . SER A 1 210 ? 6.215 9.752 20.384 1.00 11.78 ? 228 SER A OG 1
3033ATOM 1732 N N . GLY A 1 211 ? 8.246 6.961 18.491 1.00 13.38 ? 229 GLY A N 1
3034ATOM 1733 C CA . GLY A 1 211 ? 8.354 5.488 18.518 1.00 13.45 ? 229 GLY A CA 1
3035ATOM 1734 C C . GLY A 1 211 ? 8.075 4.950 19.907 1.00 13.97 ? 229 GLY A C 1
3036ATOM 1735 O O . GLY A 1 211 ? 8.970 4.356 20.512 1.00 15.09 ? 229 GLY A O 1
3037ATOM 1736 N N . VAL A 1 212 ? 6.877 5.171 20.432 1.00 14.01 ? 230 VAL A N 1
3038ATOM 1737 C CA . VAL A 1 212 ? 6.511 4.730 21.809 1.00 13.54 ? 230 VAL A CA 1
3039ATOM 1738 C C . VAL A 1 212 ? 6.036 3.264 21.788 1.00 13.02 ? 230 VAL A C 1
3040ATOM 1739 O O . VAL A 1 212 ? 5.790 2.694 22.886 1.00 12.93 ? 230 VAL A O 1
3041ATOM 1740 C CB . VAL A 1 212 ? 5.455 5.668 22.409 1.00 14.50 ? 230 VAL A CB 1
3042ATOM 1741 C CG1 . VAL A 1 212 ? 5.966 7.090 22.499 1.00 14.55 ? 230 VAL A CG1 1
3043ATOM 1742 C CG2 . VAL A 1 212 ? 4.116 5.630 21.666 1.00 14.94 ? 230 VAL A CG2 1
3044ATOM 1743 N N . GLY A 1 213 ? 5.967 2.635 20.616 1.00 11.77 ? 231 GLY A N 1
3045ATOM 1744 C CA . GLY A 1 213 ? 5.500 1.235 20.510 1.00 12.44 ? 231 GLY A CA 1
3046ATOM 1745 C C . GLY A 1 213 ? 4.062 1.037 20.989 1.00 11.56 ? 231 GLY A C 1
3047ATOM 1746 O O . GLY A 1 213 ? 3.239 1.969 20.861 1.00 11.89 ? 231 GLY A O 1
3048ATOM 1747 N N . PHE A 1 214 ? 3.751 -0.139 21.531 1.00 11.75 ? 232 PHE A N 1
3049ATOM 1748 C CA . PHE A 1 214 ? 2.373 -0.539 21.926 1.00 11.58 ? 232 PHE A CA 1
3050ATOM 1749 C C . PHE A 1 214 ? 2.133 -0.130 23.373 1.00 11.96 ? 232 PHE A C 1
3051ATOM 1750 O O . PHE A 1 214 ? 2.275 -0.959 24.279 1.00 11.65 ? 232 PHE A O 1
3052ATOM 1751 C CB . PHE A 1 214 ? 2.143 -2.026 21.673 1.00 11.25 ? 232 PHE A CB 1
3053ATOM 1752 C CG . PHE A 1 214 ? 1.784 -2.329 20.248 1.00 10.59 ? 232 PHE A CG 1
3054ATOM 1753 C CD1 . PHE A 1 214 ? 2.714 -2.143 19.236 1.00 10.56 ? 232 PHE A CD1 1
3055ATOM 1754 C CD2 . PHE A 1 214 ? 0.508 -2.748 19.913 1.00 10.69 ? 232 PHE A CD2 1
3056ATOM 1755 C CE1 . PHE A 1 214 ? 2.391 -2.388 17.908 1.00 10.27 ? 232 PHE A CE1 1
3057ATOM 1756 C CE2 . PHE A 1 214 ? 0.182 -2.996 18.586 1.00 10.93 ? 232 PHE A CE2 1
3058ATOM 1757 C CZ . PHE A 1 214 ? 1.130 -2.820 17.588 1.00 10.76 ? 232 PHE A CZ 1
3059ATOM 1758 N N . ASN A 1 215 ? 1.763 1.139 23.556 1.00 13.35 ? 233 ASN A N 1
3060ATOM 1759 C CA . ASN A 1 215 ? 1.724 1.831 24.871 1.00 13.84 ? 233 ASN A CA 1
3061ATOM 1760 C C . ASN A 1 215 ? 0.285 2.266 25.172 1.00 13.59 ? 233 ASN A C 1
3062ATOM 1761 O O . ASN A 1 215 ? 0.068 2.894 26.207 1.00 13.19 ? 233 ASN A O 1
3063ATOM 1762 C CB . ASN A 1 215 ? 2.720 2.987 24.912 1.00 14.02 ? 233 ASN A CB 1
3064ATOM 1763 C CG . ASN A 1 215 ? 2.270 4.245 24.190 1.00 15.00 ? 233 ASN A CG 1
3065ATOM 1764 O OD1 . ASN A 1 215 ? 1.532 4.211 23.188 1.00 15.43 ? 233 ASN A OD1 1
3066ATOM 1765 N ND2 . ASN A 1 215 ? 2.737 5.374 24.699 1.00 14.91 ? 233 ASN A ND2 1
3067ATOM 1766 N N . GLN A 1 216 ? -0.663 1.947 24.301 1.00 13.90 ? 234 GLN A N 1
3068ATOM 1767 C CA . GLN A 1 216 ? -2.084 2.309 24.547 1.00 14.79 ? 234 GLN A CA 1
3069ATOM 1768 C C . GLN A 1 216 ? -2.851 1.073 24.993 1.00 13.96 ? 234 GLN A C 1
3070ATOM 1769 O O . GLN A 1 216 ? -2.451 -0.030 24.588 1.00 15.34 ? 234 GLN A O 1
3071ATOM 1770 C CB . GLN A 1 216 ? -2.732 2.898 23.293 1.00 16.02 ? 234 GLN A CB 1
3072ATOM 1771 C CG . GLN A 1 216 ? -1.996 4.111 22.733 1.00 16.29 ? 234 GLN A CG 1
3073ATOM 1772 C CD . GLN A 1 216 ? -2.696 4.602 21.490 1.00 17.83 ? 234 GLN A CD 1
3074ATOM 1773 O OE1 . GLN A 1 216 ? -3.922 4.750 21.475 1.00 18.69 ? 234 GLN A OE1 1
3075ATOM 1774 N NE2 . GLN A 1 216 ? -1.919 4.877 20.451 1.00 16.92 ? 234 GLN A NE2 1
3076ATOM 1775 N N . GLY A 1 217 ? -3.912 1.276 25.772 1.00 13.40 ? 235 GLY A N 1
3077ATOM 1776 C CA . GLY A 1 217 ? -4.977 0.295 26.020 1.00 12.95 ? 235 GLY A CA 1
3078ATOM 1777 C C . GLY A 1 217 ? -5.565 -0.205 24.713 1.00 12.91 ? 235 GLY A C 1
3079ATOM 1778 O O . GLY A 1 217 ? -5.770 0.611 23.755 1.00 11.88 ? 235 GLY A O 1
3080ATOM 1779 N N . LEU A 1 218 ? -5.734 -1.520 24.622 1.00 12.97 ? 236 LEU A N 1
3081ATOM 1780 C CA . LEU A 1 218 ? -6.325 -2.174 23.432 1.00 12.39 ? 236 LEU A CA 1
3082ATOM 1781 C C . LEU A 1 218 ? -7.623 -2.830 23.867 1.00 12.06 ? 236 LEU A C 1
3083ATOM 1782 O O . LEU A 1 218 ? -7.687 -3.335 25.014 1.00 11.77 ? 236 LEU A O 1
3084ATOM 1783 C CB . LEU A 1 218 ? -5.364 -3.220 22.866 1.00 12.13 ? 236 LEU A CB 1
3085ATOM 1784 C CG . LEU A 1 218 ? -3.950 -2.752 22.581 1.00 11.72 ? 236 LEU A CG 1
3086ATOM 1785 C CD1 . LEU A 1 218 ? -3.092 -3.925 22.117 1.00 12.38 ? 236 LEU A CD1 1
3087ATOM 1786 C CD2 . LEU A 1 218 ? -3.945 -1.650 21.538 1.00 11.88 ? 236 LEU A CD2 1
3088ATOM 1787 N N . LEU A 1 219 ? -8.617 -2.770 22.993 1.00 11.67 ? 237 LEU A N 1
3089ATOM 1788 C CA . LEU A 1 219 ? -9.874 -3.518 23.186 1.00 11.60 ? 237 LEU A CA 1
3090ATOM 1789 C C . LEU A 1 219 ? -9.747 -4.876 22.499 1.00 11.13 ? 237 LEU A C 1
3091ATOM 1790 O O . LEU A 1 219 ? -9.158 -4.994 21.395 1.00 10.67 ? 237 LEU A O 1
3092ATOM 1791 C CB . LEU A 1 219 ? -11.039 -2.694 22.643 1.00 12.29 ? 237 LEU A CB 1
3093ATOM 1792 C CG . LEU A 1 219 ? -11.219 -1.324 23.292 1.00 12.64 ? 237 LEU A CG 1
3094ATOM 1793 C CD1 . LEU A 1 219 ? -12.079 -0.425 22.420 1.00 12.76 ? 237 LEU A CD1 1
3095ATOM 1794 C CD2 . LEU A 1 219 ? -11.792 -1.445 24.693 1.00 12.58 ? 237 LEU A CD2 1
3096ATOM 1795 N N . MET A 1 220 ? -10.283 -5.883 23.155 1.00 10.77 ? 238 MET A N 1
3097ATOM 1796 C CA . MET A 1 220 ? -10.359 -7.252 22.621 1.00 10.66 ? 238 MET A CA 1
3098ATOM 1797 C C . MET A 1 220 ? -11.450 -7.306 21.548 1.00 10.56 ? 238 MET A C 1
3099ATOM 1798 O O . MET A 1 220 ? -12.539 -6.735 21.776 1.00 10.47 ? 238 MET A O 1
3100ATOM 1799 C CB . MET A 1 220 ? -10.698 -8.245 23.727 1.00 10.96 ? 238 MET A CB 1
3101ATOM 1800 C CG . MET A 1 220 ? -10.494 -9.659 23.276 1.00 11.13 ? 238 MET A CG 1
3102ATOM 1801 S SD . MET A 1 220 ? -11.190 -10.791 24.465 1.00 11.05 ? 238 MET A SD 1
3103ATOM 1802 C CE . MET A 1 220 ? -10.151 -10.491 25.893 1.00 11.56 ? 238 MET A CE 1
3104ATOM 1803 N N . VAL A 1 221 ? -11.151 -7.996 20.450 1.00 10.06 ? 239 VAL A N 1
3105ATOM 1804 C CA . VAL A 1 221 ? -12.117 -8.326 19.376 1.00 9.78 ? 239 VAL A CA 1
3106ATOM 1805 C C . VAL A 1 221 ? -12.042 -9.826 19.144 1.00 9.53 ? 239 VAL A C 1
3107ATOM 1806 O O . VAL A 1 221 ? -10.939 -10.378 19.036 1.00 8.77 ? 239 VAL A O 1
3108ATOM 1807 C CB . VAL A 1 221 ? -11.836 -7.553 18.078 1.00 9.91 ? 239 VAL A CB 1
3109ATOM 1808 C CG1 . VAL A 1 221 ? -12.948 -7.766 17.051 1.00 10.12 ? 239 VAL A CG1 1
3110ATOM 1809 C CG2 . VAL A 1 221 ? -11.610 -6.091 18.375 1.00 9.57 ? 239 VAL A CG2 1
3111ATOM 1810 N N . ILE A 1 222 ? -13.215 -10.440 19.147 1.00 9.07 ? 240 ILE A N 1
3112ATOM 1811 C CA . ILE A 1 222 ? -13.429 -11.845 18.760 1.00 8.83 ? 240 ILE A CA 1
3113ATOM 1812 C C . ILE A 1 222 ? -14.399 -11.749 17.579 1.00 9.16 ? 240 ILE A C 1
3114ATOM 1813 O O . ILE A 1 222 ? -15.530 -11.260 17.777 1.00 8.86 ? 240 ILE A O 1
3115ATOM 1814 C CB . ILE A 1 222 ? -13.927 -12.664 19.962 1.00 8.60 ? 240 ILE A CB 1
3116ATOM 1815 C CG1 . ILE A 1 222 ? -12.974 -12.565 21.165 1.00 8.65 ? 240 ILE A CG1 1
3117ATOM 1816 C CG2 . ILE A 1 222 ? -14.140 -14.110 19.570 1.00 8.61 ? 240 ILE A CG2 1
3118ATOM 1817 C CD1 . ILE A 1 222 ? -13.508 -13.196 22.444 1.00 8.62 ? 240 ILE A CD1 1
3119ATOM 1818 N N . ASP A 1 223 ? -13.959 -12.105 16.376 1.00 8.71 ? 241 ASP A N 1
3120ATOM 1819 C CA . ASP A 1 223 ? -14.857 -11.958 15.212 1.00 8.83 ? 241 ASP A CA 1
3121ATOM 1820 C C . ASP A 1 223 ? -14.518 -12.987 14.130 1.00 8.84 ? 241 ASP A C 1
3122ATOM 1821 O O . ASP A 1 223 ? -13.612 -13.814 14.308 1.00 8.60 ? 241 ASP A O 1
3123ATOM 1822 C CB . ASP A 1 223 ? -14.872 -10.496 14.735 1.00 8.46 ? 241 ASP A CB 1
3124ATOM 1823 C CG . ASP A 1 223 ? -13.673 -10.057 13.910 1.00 8.11 ? 241 ASP A CG 1
3125ATOM 1824 O OD1 . ASP A 1 223 ? -12.683 -10.785 13.878 1.00 7.86 ? 241 ASP A OD1 1
3126ATOM 1825 O OD2 . ASP A 1 223 ? -13.740 -8.973 13.315 1.00 7.69 ? 241 ASP A OD2 1
3127ATOM 1826 N N . THR A 1 224 ? -15.299 -12.968 13.053 1.00 9.08 ? 242 THR A N 1
3128ATOM 1827 C CA . THR A 1 224 ? -14.898 -13.587 11.765 1.00 9.27 ? 242 THR A CA 1
3129ATOM 1828 C C . THR A 1 224 ? -15.023 -12.492 10.713 1.00 9.72 ? 242 THR A C 1
3130ATOM 1829 O O . THR A 1 224 ? -15.865 -11.568 10.887 1.00 9.97 ? 242 THR A O 1
3131ATOM 1830 C CB . THR A 1 224 ? -15.689 -14.877 11.484 1.00 9.19 ? 242 THR A CB 1
3132ATOM 1831 O OG1 . THR A 1 224 ? -15.033 -15.590 10.432 1.00 8.97 ? 242 THR A OG1 1
3133ATOM 1832 C CG2 . THR A 1 224 ? -17.131 -14.619 11.126 1.00 8.93 ? 242 THR A CG2 1
3134ATOM 1833 N N . GLU A 1 225 ? -14.202 -12.568 9.678 1.00 9.92 ? 243 GLU A N 1
3135ATOM 1834 C CA . GLU A 1 225 ? -14.145 -11.500 8.661 1.00 10.26 ? 243 GLU A CA 1
3136ATOM 1835 C C . GLU A 1 225 ? -13.906 -12.110 7.283 1.00 10.21 ? 243 GLU A C 1
3137ATOM 1836 O O . GLU A 1 225 ? -13.053 -13.016 7.158 1.00 9.95 ? 243 GLU A O 1
3138ATOM 1837 C CB . GLU A 1 225 ? -13.040 -10.502 9.000 1.00 9.92 ? 243 GLU A CB 1
3139ATOM 1838 C CG . GLU A 1 225 ? -13.130 -9.900 10.394 1.00 9.71 ? 243 GLU A CG 1
3140ATOM 1839 C CD . GLU A 1 225 ? -11.980 -8.948 10.676 1.00 9.68 ? 243 GLU A CD 1
3141ATOM 1840 O OE1 . GLU A 1 225 ? -11.112 -8.822 9.770 1.00 9.73 ? 243 GLU A OE1 1
3142ATOM 1841 O OE2 . GLU A 1 225 ? -11.921 -8.363 11.801 1.00 9.29 ? 243 GLU A OE2 1
3143ATOM 1842 N N . ASP A 1 226 ? -14.615 -11.579 6.291 1.00 10.67 ? 244 ASP A N 1
3144ATOM 1843 C CA . ASP A 1 226 ? -14.222 -11.691 4.868 1.00 11.22 ? 244 ASP A CA 1
3145ATOM 1844 C C . ASP A 1 226 ? -13.137 -10.651 4.609 1.00 11.32 ? 244 ASP A C 1
3146ATOM 1845 O O . ASP A 1 226 ? -13.410 -9.490 4.721 1.00 10.90 ? 244 ASP A O 1
3147ATOM 1846 C CB . ASP A 1 226 ? -15.411 -11.500 3.930 1.00 12.11 ? 244 ASP A CB 1
3148ATOM 1847 C CG . ASP A 1 226 ? -14.996 -11.508 2.476 1.00 12.79 ? 244 ASP A CG 1
3149ATOM 1848 O OD1 . ASP A 1 226 ? -14.596 -10.426 1.993 1.00 13.88 ? 244 ASP A OD1 1
3150ATOM 1849 O OD2 . ASP A 1 226 ? -14.975 -12.615 1.878 1.00 13.78 ? 244 ASP A OD2 1
3151ATOM 1850 N N . HIS A 1 227 ? -11.931 -11.090 4.299 1.00 12.87 ? 245 HIS A N 1
3152ATOM 1851 C CA . HIS A 1 227 ? -10.778 -10.207 4.018 1.00 13.75 ? 245 HIS A CA 1
3153ATOM 1852 C C . HIS A 1 227 ? -10.802 -9.811 2.536 1.00 15.74 ? 245 HIS A C 1
3154ATOM 1853 O O . HIS A 1 227 ? -10.971 -10.715 1.654 1.00 15.11 ? 245 HIS A O 1
3155ATOM 1854 C CB . HIS A 1 227 ? -9.486 -10.882 4.466 1.00 13.54 ? 245 HIS A CB 1
3156ATOM 1855 C CG . HIS A 1 227 ? -9.302 -10.866 5.943 1.00 13.72 ? 245 HIS A CG 1
3157ATOM 1856 N ND1 . HIS A 1 227 ? -8.392 -11.690 6.585 1.00 13.32 ? 245 HIS A ND1 1
3158ATOM 1857 C CD2 . HIS A 1 227 ? -9.892 -10.128 6.906 1.00 13.68 ? 245 HIS A CD2 1
3159ATOM 1858 C CE1 . HIS A 1 227 ? -8.409 -11.430 7.878 1.00 13.36 ? 245 HIS A CE1 1
3160ATOM 1859 N NE2 . HIS A 1 227 ? -9.336 -10.499 8.104 1.00 13.89 ? 245 HIS A NE2 1
3161ATOM 1860 N N . ASP A 1 228 ? -10.667 -8.504 2.288 1.00 17.12 ? 246 ASP A N 1
3162ATOM 1861 C CA . ASP A 1 228 ? -10.874 -7.868 0.964 1.00 19.86 ? 246 ASP A CA 1
3163ATOM 1862 C C . ASP A 1 228 ? -9.903 -8.498 -0.041 1.00 19.84 ? 246 ASP A C 1
3164ATOM 1863 O O . ASP A 1 228 ? -10.335 -8.855 -1.128 1.00 19.85 ? 246 ASP A O 1
3165ATOM 1864 C CB . ASP A 1 228 ? -10.706 -6.349 1.059 1.00 21.65 ? 246 ASP A CB 1
3166ATOM 1865 C CG . ASP A 1 228 ? -11.021 -5.642 -0.247 1.00 22.18 ? 246 ASP A CG 1
3167ATOM 1866 O OD1 . ASP A 1 228 ? -12.192 -5.623 -0.631 1.00 23.47 ? 246 ASP A OD1 1
3168ATOM 1867 O OD2 . ASP A 1 228 ? -10.085 -5.129 -0.860 1.00 24.44 ? 246 ASP A OD2 1
3169ATOM 1868 N N . TRP A 1 229 ? -8.635 -8.651 0.332 1.00 21.57 ? 247 TRP A N 1
3170ATOM 1869 C CA . TRP A 1 229 ? -7.611 -9.246 -0.563 1.00 23.34 ? 247 TRP A CA 1
3171ATOM 1870 C C . TRP A 1 229 ? -8.036 -10.658 -1.010 1.00 23.10 ? 247 TRP A C 1
3172ATOM 1871 O O . TRP A 1 229 ? -7.634 -11.061 -2.078 1.00 23.34 ? 247 TRP A O 1
3173ATOM 1872 C CB . TRP A 1 229 ? -6.213 -9.182 0.073 1.00 24.94 ? 247 TRP A CB 1
3174ATOM 1873 C CG . TRP A 1 229 ? -5.861 -10.251 1.064 1.00 28.06 ? 247 TRP A CG 1
3175ATOM 1874 C CD1 . TRP A 1 229 ? -5.957 -10.166 2.421 1.00 27.32 ? 247 TRP A CD1 1
3176ATOM 1875 C CD2 . TRP A 1 229 ? -5.258 -11.535 0.785 1.00 28.79 ? 247 TRP A CD2 1
3177ATOM 1876 N NE1 . TRP A 1 229 ? -5.505 -11.320 2.999 1.00 26.73 ? 247 TRP A NE1 1
3178ATOM 1877 C CE2 . TRP A 1 229 ? -5.058 -12.175 2.029 1.00 27.99 ? 247 TRP A CE2 1
3179ATOM 1878 C CE3 . TRP A 1 229 ? -4.868 -12.204 -0.386 1.00 30.24 ? 247 TRP A CE3 1
3180ATOM 1879 C CZ2 . TRP A 1 229 ? -4.478 -13.444 2.137 1.00 29.93 ? 247 TRP A CZ2 1
3181ATOM 1880 C CZ3 . TRP A 1 229 ? -4.300 -13.458 -0.284 1.00 31.85 ? 247 TRP A CZ3 1
3182ATOM 1881 C CH2 . TRP A 1 229 ? -4.112 -14.071 0.962 1.00 32.19 ? 247 TRP A CH2 1
3183ATOM 1882 N N . ARG A 1 230 ? -8.890 -11.362 -0.264 1.00 23.59 ? 248 ARG A N 1
3184ATOM 1883 C CA . ARG A 1 230 ? -9.352 -12.718 -0.649 1.00 23.53 ? 248 ARG A CA 1
3185ATOM 1884 C C . ARG A 1 230 ? -10.573 -12.598 -1.569 1.00 23.89 ? 248 ARG A C 1
3186ATOM 1885 O O . ARG A 1 230 ? -10.537 -13.164 -2.684 1.00 21.80 ? 248 ARG A O 1
3187ATOM 1886 C CB . ARG A 1 230 ? -9.689 -13.546 0.594 1.00 23.79 ? 248 ARG A CB 1
3188ATOM 1887 C CG . ARG A 1 230 ? -8.550 -13.626 1.600 1.00 23.52 ? 248 ARG A CG 1
3189ATOM 1888 C CD . ARG A 1 230 ? -7.954 -15.000 1.707 1.00 23.16 ? 248 ARG A CD 1
3190ATOM 1889 N NE . ARG A 1 230 ? -8.898 -15.928 2.298 1.00 21.75 ? 248 ARG A NE 1
3191ATOM 1890 C CZ . ARG A 1 230 ? -8.812 -17.253 2.209 1.00 23.07 ? 248 ARG A CZ 1
3192ATOM 1891 N NH1 . ARG A 1 230 ? -7.813 -17.809 1.539 1.00 24.74 ? 248 ARG A NH1 1
3193ATOM 1892 N NH2 . ARG A 1 230 ? -9.739 -18.021 2.762 1.00 21.47 ? 248 ARG A NH2 1
3194ATOM 1893 N N . SER A 1 231 ? -11.622 -11.904 -1.127 1.00 23.80 ? 249 SER A N 1
3195ATOM 1894 C CA . SER A 1 231 ? -12.889 -11.801 -1.897 1.00 24.49 ? 249 SER A CA 1
3196ATOM 1895 C C . SER A 1 231 ? -12.620 -11.072 -3.231 1.00 26.75 ? 249 SER A C 1
3197ATOM 1896 O O . SER A 1 231 ? -13.297 -11.400 -4.218 1.00 25.91 ? 249 SER A O 1
3198ATOM 1897 C CB . SER A 1 231 ? -14.001 -11.188 -1.077 1.00 21.66 ? 249 SER A CB 1
3199ATOM 1898 O OG . SER A 1 231 ? -13.618 -9.937 -0.554 1.00 21.11 ? 249 SER A OG 1
3200ATOM 1899 N N . LYS A 1 232 ? -11.610 -10.198 -3.299 1.00 27.74 ? 250 LYS A N 1
3201ATOM 1900 C CA . LYS A 1 232 ? -11.190 -9.560 -4.578 1.00 32.14 ? 250 LYS A CA 1
3202ATOM 1901 C C . LYS A 1 232 ? -10.498 -10.595 -5.489 1.00 33.49 ? 250 LYS A C 1
3203ATOM 1902 O O . LYS A 1 232 ? -10.598 -10.431 -6.709 1.00 30.47 ? 250 LYS A O 1
3204ATOM 1903 C CB . LYS A 1 232 ? -10.342 -8.307 -4.322 1.00 34.34 ? 250 LYS A CB 1
3205ATOM 1904 C CG . LYS A 1 232 ? -11.173 -7.056 -4.028 1.00 37.09 ? 250 LYS A CG 1
3206ATOM 1905 C CD . LYS A 1 232 ? -10.387 -5.749 -3.976 1.00 41.47 ? 250 LYS A CD 1
3207ATOM 1906 C CE . LYS A 1 232 ? -11.201 -4.528 -3.573 1.00 42.59 ? 250 LYS A CE 1
3208ATOM 1907 N NZ . LYS A 1 232 ? -12.655 -4.685 -3.824 1.00 42.57 ? 250 LYS A NZ 1
3209ATOM 1908 N N . LYS A 1 233 ? -9.841 -11.621 -4.932 1.00 32.64 ? 251 LYS A N 1
3210ATOM 1909 C CA . LYS A 1 233 ? -9.265 -12.758 -5.699 1.00 32.04 ? 251 LYS A CA 1
3211ATOM 1910 C C . LYS A 1 233 ? -10.322 -13.818 -6.027 1.00 28.58 ? 251 LYS A C 1
3212ATOM 1911 O O . LYS A 1 233 ? -9.921 -14.869 -6.543 1.00 31.73 ? 251 LYS A O 1
3213ATOM 1912 C CB . LYS A 1 233 ? -8.180 -13.474 -4.890 1.00 36.78 ? 251 LYS A CB 1
3214ATOM 1913 C CG . LYS A 1 233 ? -6.850 -12.754 -4.751 1.00 40.27 ? 251 LYS A CG 1
3215ATOM 1914 C CD . LYS A 1 233 ? -5.911 -13.428 -3.760 1.00 42.58 ? 251 LYS A CD 1
3216ATOM 1915 C CE . LYS A 1 233 ? -5.543 -14.834 -4.175 1.00 45.72 ? 251 LYS A CE 1
3217ATOM 1916 N NZ . LYS A 1 233 ? -4.519 -15.415 -3.282 1.00 49.58 ? 251 LYS A NZ 1
3218ATOM 1917 N N . GLY A 1 234 ? -11.598 -13.609 -5.692 1.00 26.43 ? 252 GLY A N 1
3219ATOM 1918 C CA . GLY A 1 234 ? -12.675 -14.592 -5.917 1.00 24.96 ? 252 GLY A CA 1
3220ATOM 1919 C C . GLY A 1 234 ? -12.689 -15.709 -4.874 1.00 24.89 ? 252 GLY A C 1
3221ATOM 1920 O O . GLY A 1 234 ? -13.298 -16.762 -5.128 1.00 25.16 ? 252 GLY A O 1
3222ATOM 1921 N N . ILE A 1 235 ? -12.044 -15.513 -3.727 1.00 23.29 ? 253 ILE A N 1
3223ATOM 1922 C CA . ILE A 1 235 ? -12.065 -16.474 -2.588 1.00 22.72 ? 253 ILE A CA 1
3224ATOM 1923 C C . ILE A 1 235 ? -12.955 -15.876 -1.506 1.00 21.93 ? 253 ILE A C 1
3225ATOM 1924 O O . ILE A 1 235 ? -12.495 -14.964 -0.799 1.00 21.17 ? 253 ILE A O 1
3226ATOM 1925 C CB . ILE A 1 235 ? -10.651 -16.783 -2.064 1.00 23.57 ? 253 ILE A CB 1
3227ATOM 1926 C CG1 . ILE A 1 235 ? -9.716 -17.219 -3.197 1.00 24.12 ? 253 ILE A CG1 1
3228ATOM 1927 C CG2 . ILE A 1 235 ? -10.713 -17.809 -0.942 1.00 22.17 ? 253 ILE A CG2 1
3229ATOM 1928 C CD1 . ILE A 1 235 ? -8.278 -17.440 -2.767 1.00 23.64 ? 253 ILE A CD1 1
3230ATOM 1929 N N . THR A 1 236 ? -14.194 -16.356 -1.422 1.00 21.68 ? 254 THR A N 1
3231ATOM 1930 C CA . THR A 1 236 ? -15.212 -15.893 -0.449 1.00 20.86 ? 254 THR A CA 1
3232ATOM 1931 C C . THR A 1 236 ? -16.245 -16.991 -0.273 1.00 20.71 ? 254 THR A C 1
3233ATOM 1932 O O . THR A 1 236 ? -16.495 -17.756 -1.197 1.00 22.97 ? 254 THR A O 1
3234ATOM 1933 C CB . THR A 1 236 ? -15.805 -14.562 -0.906 1.00 20.32 ? 254 THR A CB 1
3235ATOM 1934 O OG1 . THR A 1 236 ? -16.618 -14.057 0.156 1.00 19.85 ? 254 THR A OG1 1
3236ATOM 1935 C CG2 . THR A 1 236 ? -16.584 -14.697 -2.192 1.00 19.72 ? 254 THR A CG2 1
3237ATOM 1936 N N . PRO A 1 237 ? -16.848 -17.160 0.922 1.00 21.36 ? 255 PRO A N 1
3238ATOM 1937 C CA . PRO A 1 237 ? -17.808 -18.247 1.115 1.00 21.69 ? 255 PRO A CA 1
3239ATOM 1938 C C . PRO A 1 237 ? -18.891 -18.220 0.027 1.00 22.26 ? 255 PRO A C 1
3240ATOM 1939 O O . PRO A 1 237 ? -19.309 -17.138 -0.372 1.00 24.72 ? 255 PRO A O 1
3241ATOM 1940 C CB . PRO A 1 237 ? -18.372 -18.007 2.522 1.00 19.55 ? 255 PRO A CB 1
3242ATOM 1941 C CG . PRO A 1 237 ? -17.249 -17.281 3.213 1.00 20.36 ? 255 PRO A CG 1
3243ATOM 1942 C CD . PRO A 1 237 ? -16.644 -16.375 2.149 1.00 20.51 ? 255 PRO A CD 1
3244ATOM 1943 N N . THR A 1 238 ? -19.291 -19.403 -0.442 1.00 23.38 ? 256 THR A N 1
3245ATOM 1944 C CA . THR A 1 238 ? -20.480 -19.603 -1.302 1.00 24.42 ? 256 THR A CA 1
3246ATOM 1945 C C . THR A 1 238 ? -21.696 -19.702 -0.389 1.00 26.75 ? 256 THR A C 1
3247ATOM 1946 O O . THR A 1 238 ? -21.499 -19.856 0.826 1.00 24.32 ? 256 THR A O 1
3248ATOM 1947 C CB . THR A 1 238 ? -20.339 -20.855 -2.174 1.00 24.19 ? 256 THR A CB 1
3249ATOM 1948 O OG1 . THR A 1 238 ? -20.339 -22.018 -1.337 1.00 26.33 ? 256 THR A OG1 1
3250ATOM 1949 C CG2 . THR A 1 238 ? -19.091 -20.815 -3.027 1.00 23.08 ? 256 THR A CG2 1
3251ATOM 1950 N N . ASP A 1 239 ? -22.894 -19.681 -0.975 1.00 31.69 ? 257 ASP A N 1
3252ATOM 1951 C CA . ASP A 1 239 ? -24.185 -19.839 -0.258 1.00 33.74 ? 257 ASP A CA 1
3253ATOM 1952 C C . ASP A 1 239 ? -24.235 -21.209 0.445 1.00 32.78 ? 257 ASP A C 1
3254ATOM 1953 O O . ASP A 1 239 ? -24.691 -21.259 1.592 1.00 32.19 ? 257 ASP A O 1
3255ATOM 1954 C CB . ASP A 1 239 ? -25.347 -19.597 -1.222 1.00 37.77 ? 257 ASP A CB 1
3256ATOM 1955 C CG . ASP A 1 239 ? -25.448 -18.151 -1.687 1.00 43.30 ? 257 ASP A CG 1
3257ATOM 1956 O OD1 . ASP A 1 239 ? -24.434 -17.429 -1.593 1.00 44.00 ? 257 ASP A OD1 1
3258ATOM 1957 O OD2 . ASP A 1 239 ? -26.548 -17.744 -2.120 1.00 50.59 ? 257 ASP A OD2 1
3259ATOM 1958 N N . ASP A 1 240 ? -23.799 -22.286 -0.209 1.00 31.32 ? 258 ASP A N 1
3260ATOM 1959 C CA . ASP A 1 240 ? -23.928 -23.669 0.332 1.00 33.54 ? 258 ASP A CA 1
3261ATOM 1960 C C . ASP A 1 240 ? -22.972 -23.841 1.526 1.00 30.68 ? 258 ASP A C 1
3262ATOM 1961 O O . ASP A 1 240 ? -23.369 -24.499 2.518 1.00 28.97 ? 258 ASP A O 1
3263ATOM 1962 C CB . ASP A 1 240 ? -23.697 -24.711 -0.767 1.00 36.54 ? 258 ASP A CB 1
3264ATOM 1963 C CG . ASP A 1 240 ? -24.591 -24.532 -1.991 1.00 41.22 ? 258 ASP A CG 1
3265ATOM 1964 O OD1 . ASP A 1 240 ? -25.768 -24.138 -1.822 1.00 42.52 ? 258 ASP A OD1 1
3266ATOM 1965 O OD2 . ASP A 1 240 ? -24.106 -24.794 -3.117 1.00 44.84 ? 258 ASP A OD2 1
3267ATOM 1966 N N . GLU A 1 241 ? -21.777 -23.247 1.430 1.00 28.33 ? 259 GLU A N 1
3268ATOM 1967 C CA . GLU A 1 241 ? -20.743 -23.178 2.502 1.00 25.44 ? 259 GLU A CA 1
3269ATOM 1968 C C . GLU A 1 241 ? -21.346 -22.467 3.714 1.00 23.13 ? 259 GLU A C 1
3270ATOM 1969 O O . GLU A 1 241 ? -21.334 -23.052 4.810 1.00 21.14 ? 259 GLU A O 1
3271ATOM 1970 C CB . GLU A 1 241 ? -19.471 -22.514 1.961 1.00 25.46 ? 259 GLU A CB 1
3272ATOM 1971 C CG . GLU A 1 241 ? -18.713 -23.419 1.002 1.00 24.95 ? 259 GLU A CG 1
3273ATOM 1972 C CD . GLU A 1 241 ? -17.636 -22.786 0.138 1.00 25.19 ? 259 GLU A CD 1
3274ATOM 1973 O OE1 . GLU A 1 241 ? -17.443 -21.569 0.210 1.00 26.56 ? 259 GLU A OE1 1
3275ATOM 1974 O OE2 . GLU A 1 241 ? -16.989 -23.521 -0.614 1.00 24.59 ? 259 GLU A OE2 1
3276ATOM 1975 N N . LEU A 1 242 ? -21.960 -21.302 3.512 1.00 23.12 ? 260 LEU A N 1
3277ATOM 1976 C CA . LEU A 1 242 ? -22.545 -20.520 4.633 1.00 23.72 ? 260 LEU A CA 1
3278ATOM 1977 C C . LEU A 1 242 ? -23.644 -21.330 5.315 1.00 24.30 ? 260 LEU A C 1
3279ATOM 1978 O O . LEU A 1 242 ? -23.852 -21.093 6.501 1.00 23.59 ? 260 LEU A O 1
3280ATOM 1979 C CB . LEU A 1 242 ? -23.055 -19.159 4.147 1.00 24.56 ? 260 LEU A CB 1
3281ATOM 1980 C CG . LEU A 1 242 ? -21.962 -18.124 3.843 1.00 25.18 ? 260 LEU A CG 1
3282ATOM 1981 C CD1 . LEU A 1 242 ? -22.516 -16.919 3.086 1.00 24.92 ? 260 LEU A CD1 1
3283ATOM 1982 C CD2 . LEU A 1 242 ? -21.282 -17.665 5.127 1.00 24.62 ? 260 LEU A CD2 1
3284ATOM 1983 N N . LEU A 1 243 ? -24.275 -22.271 4.603 1.00 27.40 ? 261 LEU A N 1
3285ATOM 1984 C CA . LEU A 1 243 ? -25.456 -23.048 5.082 1.00 27.79 ? 261 LEU A CA 1
3286ATOM 1985 C C . LEU A 1 243 ? -25.035 -24.385 5.693 1.00 24.93 ? 261 LEU A C 1
3287ATOM 1986 O O . LEU A 1 243 ? -25.847 -24.975 6.403 1.00 27.41 ? 261 LEU A O 1
3288ATOM 1987 C CB . LEU A 1 243 ? -26.396 -23.286 3.898 1.00 29.87 ? 261 LEU A CB 1
3289ATOM 1988 C CG . LEU A 1 243 ? -27.295 -22.111 3.518 1.00 31.06 ? 261 LEU A CG 1
3290ATOM 1989 C CD1 . LEU A 1 243 ? -28.111 -22.460 2.278 1.00 33.02 ? 261 LEU A CD1 1
3291ATOM 1990 C CD2 . LEU A 1 243 ? -28.209 -21.714 4.669 1.00 30.46 ? 261 LEU A CD2 1
3292ATOM 1991 N N . ASP A 1 244 ? -23.832 -24.847 5.379 1.00 24.13 ? 262 ASP A N 1
3293ATOM 1992 C CA . ASP A 1 244 ? -23.227 -26.125 5.842 1.00 23.98 ? 262 ASP A CA 1
3294ATOM 1993 C C . ASP A 1 244 ? -22.893 -26.018 7.346 1.00 26.53 ? 262 ASP A C 1
3295ATOM 1994 O O . ASP A 1 244 ? -21.854 -25.379 7.698 1.00 25.37 ? 262 ASP A O 1
3296ATOM 1995 C CB . ASP A 1 244 ? -22.000 -26.415 4.977 1.00 23.77 ? 262 ASP A CB 1
3297ATOM 1996 C CG . ASP A 1 244 ? -21.298 -27.713 5.318 1.00 24.39 ? 262 ASP A CG 1
3298ATOM 1997 O OD1 . ASP A 1 244 ? -21.667 -28.304 6.349 1.00 25.85 ? 262 ASP A OD1 1
3299ATOM 1998 O OD2 . ASP A 1 244 ? -20.387 -28.107 4.561 1.00 22.41 ? 262 ASP A OD2 1
3300ATOM 1999 N N . GLU A 1 245 ? -23.737 -26.605 8.200 1.00 25.63 ? 263 GLU A N 1
3301ATOM 2000 C CA . GLU A 1 245 ? -23.675 -26.500 9.686 1.00 25.77 ? 263 GLU A CA 1
3302ATOM 2001 C C . GLU A 1 245 ? -22.405 -27.176 10.196 1.00 24.48 ? 263 GLU A C 1
3303ATOM 2002 O O . GLU A 1 245 ? -22.058 -26.963 11.355 1.00 25.26 ? 263 GLU A O 1
3304ATOM 2003 C CB . GLU A 1 245 ? -24.938 -27.093 10.319 1.00 26.96 ? 263 GLU A CB 1
3305ATOM 2004 C CG . GLU A 1 245 ? -26.139 -26.167 10.209 1.00 29.21 ? 263 GLU A CG 1
3306ATOM 2005 C CD . GLU A 1 245 ? -26.310 -25.129 11.318 1.00 33.78 ? 263 GLU A CD 1
3307ATOM 2006 O OE1 . GLU A 1 245 ? -26.414 -23.920 11.001 1.00 35.82 ? 263 GLU A OE1 1
3308ATOM 2007 O OE2 . GLU A 1 245 ? -26.383 -25.520 12.512 1.00 37.04 ? 263 GLU A OE2 1
3309ATOM 2008 N N . THR A 1 246 ? -21.728 -27.929 9.333 1.00 24.13 ? 264 THR A N 1
3310ATOM 2009 C CA . THR A 1 246 ? -20.447 -28.639 9.591 1.00 23.51 ? 264 THR A CA 1
3311ATOM 2010 C C . THR A 1 246 ? -19.246 -27.674 9.618 1.00 21.56 ? 264 THR A C 1
3312ATOM 2011 O O . THR A 1 246 ? -18.188 -28.058 10.175 1.00 24.09 ? 264 THR A O 1
3313ATOM 2012 C CB . THR A 1 246 ? -20.299 -29.776 8.564 1.00 24.47 ? 264 THR A CB 1
3314ATOM 2013 O OG1 . THR A 1 246 ? -19.738 -30.911 9.207 1.00 28.57 ? 264 THR A OG1 1
3315ATOM 2014 C CG2 . THR A 1 246 ? -19.431 -29.482 7.365 1.00 24.01 ? 264 THR A CG2 1
3316ATOM 2015 N N . ILE A 1 247 ? -19.334 -26.507 8.990 1.00 19.12 ? 265 ILE A N 1
3317ATOM 2016 C CA . ILE A 1 247 ? -18.150 -25.626 8.761 1.00 18.70 ? 265 ILE A CA 1
3318ATOM 2017 C C . ILE A 1 247 ? -18.470 -24.143 9.002 1.00 17.46 ? 265 ILE A C 1
3319ATOM 2018 O O . ILE A 1 247 ? -17.528 -23.340 8.953 1.00 18.55 ? 265 ILE A O 1
3320ATOM 2019 C CB . ILE A 1 247 ? -17.581 -25.819 7.336 1.00 18.88 ? 265 ILE A CB 1
3321ATOM 2020 C CG1 . ILE A 1 247 ? -18.611 -25.464 6.257 1.00 18.81 ? 265 ILE A CG1 1
3322ATOM 2021 C CG2 . ILE A 1 247 ? -16.978 -27.217 7.152 1.00 18.81 ? 265 ILE A CG2 1
3323ATOM 2022 C CD1 . ILE A 1 247 ? -18.025 -25.296 4.871 1.00 18.78 ? 265 ILE A CD1 1
3324ATOM 2023 N N . ASN A 1 248 ? -19.713 -23.759 9.262 1.00 16.34 ? 266 ASN A N 1
3325ATOM 2024 C CA . ASN A 1 248 ? -20.125 -22.338 9.102 1.00 16.01 ? 266 ASN A CA 1
3326ATOM 2025 C C . ASN A 1 248 ? -19.960 -21.549 10.419 1.00 14.39 ? 266 ASN A C 1
3327ATOM 2026 O O . ASN A 1 248 ? -20.234 -20.332 10.387 1.00 14.68 ? 266 ASN A O 1
3328ATOM 2027 C CB . ASN A 1 248 ? -21.529 -22.239 8.481 1.00 15.92 ? 266 ASN A CB 1
3329ATOM 2028 C CG . ASN A 1 248 ? -22.651 -22.699 9.391 1.00 16.94 ? 266 ASN A CG 1
3330ATOM 2029 O OD1 . ASN A 1 248 ? -22.446 -22.937 10.587 1.00 17.08 ? 266 ASN A OD1 1
3331ATOM 2030 N ND2 . ASN A 1 248 ? -23.858 -22.788 8.834 1.00 18.18 ? 266 ASN A ND2 1
3332ATOM 2031 N N . THR A 1 249 ? -19.461 -22.168 11.492 1.00 12.73 ? 267 THR A N 1
3333ATOM 2032 C CA . THR A 1 249 ? -19.460 -21.579 12.863 1.00 12.43 ? 267 THR A CA 1
3334ATOM 2033 C C . THR A 1 249 ? -18.071 -21.665 13.500 1.00 12.64 ? 267 THR A C 1
3335ATOM 2034 O O . THR A 1 249 ? -17.397 -22.741 13.442 1.00 12.81 ? 267 THR A O 1
3336ATOM 2035 C CB . THR A 1 249 ? -20.528 -22.242 13.742 1.00 12.41 ? 267 THR A CB 1
3337ATOM 2036 O OG1 . THR A 1 249 ? -21.775 -22.035 13.086 1.00 13.00 ? 267 THR A OG1 1
3338ATOM 2037 C CG2 . THR A 1 249 ? -20.634 -21.672 15.134 1.00 13.30 ? 267 THR A CG2 1
3339ATOM 2038 N N . MET A 1 250 ? -17.651 -20.548 14.088 1.00 12.02 ? 268 MET A N 1
3340ATOM 2039 C CA . MET A 1 250 ? -16.460 -20.453 14.959 1.00 11.12 ? 268 MET A CA 1
3341ATOM 2040 C C . MET A 1 250 ? -16.946 -20.465 16.426 1.00 11.14 ? 268 MET A C 1
3342ATOM 2041 O O . MET A 1 250 ? -17.845 -19.667 16.788 1.00 10.51 ? 268 MET A O 1
3343ATOM 2042 C CB . MET A 1 250 ? -15.670 -19.200 14.574 1.00 10.73 ? 268 MET A CB 1
3344ATOM 2043 C CG . MET A 1 250 ? -14.766 -18.608 15.624 1.00 10.84 ? 268 MET A CG 1
3345ATOM 2044 S SD . MET A 1 250 ? -14.270 -16.935 15.090 1.00 11.33 ? 268 MET A SD 1
3346ATOM 2045 C CE . MET A 1 250 ? -13.955 -16.180 16.687 1.00 11.04 ? 268 MET A CE 1
3347ATOM 2046 N N . TYR A 1 251 ? -16.415 -21.403 17.213 1.00 11.00 ? 269 TYR A N 1
3348ATOM 2047 C CA . TYR A 1 251 ? -16.830 -21.695 18.610 1.00 11.40 ? 269 TYR A CA 1
3349ATOM 2048 C C . TYR A 1 251 ? -15.725 -21.211 19.545 1.00 11.00 ? 269 TYR A C 1
3350ATOM 2049 O O . TYR A 1 251 ? -14.543 -21.574 19.358 1.00 9.81 ? 269 TYR A O 1
3351ATOM 2050 C CB . TYR A 1 251 ? -17.061 -23.200 18.818 1.00 12.08 ? 269 TYR A CB 1
3352ATOM 2051 C CG . TYR A 1 251 ? -18.066 -23.823 17.882 1.00 12.81 ? 269 TYR A CG 1
3353ATOM 2052 C CD1 . TYR A 1 251 ? -17.707 -24.221 16.604 1.00 13.29 ? 269 TYR A CD1 1
3354ATOM 2053 C CD2 . TYR A 1 251 ? -19.385 -23.978 18.261 1.00 13.43 ? 269 TYR A CD2 1
3355ATOM 2054 C CE1 . TYR A 1 251 ? -18.628 -24.774 15.733 1.00 13.55 ? 269 TYR A CE1 1
3356ATOM 2055 C CE2 . TYR A 1 251 ? -20.310 -24.580 17.426 1.00 14.08 ? 269 TYR A CE2 1
3357ATOM 2056 C CZ . TYR A 1 251 ? -19.932 -24.958 16.152 1.00 14.42 ? 269 TYR A CZ 1
3358ATOM 2057 O OH . TYR A 1 251 ? -20.867 -25.492 15.309 1.00 16.43 ? 269 TYR A OH 1
3359ATOM 2058 N N . VAL A 1 252 ? -16.120 -20.432 20.542 1.00 10.94 ? 270 VAL A N 1
3360ATOM 2059 C CA . VAL A 1 252 ? -15.212 -19.923 21.602 1.00 10.95 ? 270 VAL A CA 1
3361ATOM 2060 C C . VAL A 1 252 ? -15.667 -20.476 22.948 1.00 10.93 ? 270 VAL A C 1
3362ATOM 2061 O O . VAL A 1 252 ? -16.656 -19.976 23.479 1.00 11.90 ? 270 VAL A O 1
3363ATOM 2062 C CB . VAL A 1 252 ? -15.223 -18.392 21.619 1.00 10.34 ? 270 VAL A CB 1
3364ATOM 2063 C CG1 . VAL A 1 252 ? -14.418 -17.864 22.798 1.00 10.19 ? 270 VAL A CG1 1
3365ATOM 2064 C CG2 . VAL A 1 252 ? -14.760 -17.851 20.280 1.00 10.15 ? 270 VAL A CG2 1
3366ATOM 2065 N N . ASP A 1 253 ? -14.921 -21.416 23.499 1.00 10.85 ? 271 ASP A N 1
3367ATOM 2066 C CA . ASP A 1 253 ? -15.306 -22.096 24.756 1.00 11.24 ? 271 ASP A CA 1
3368ATOM 2067 C C . ASP A 1 253 ? -15.061 -21.118 25.893 1.00 10.75 ? 271 ASP A C 1
3369ATOM 2068 O O . ASP A 1 253 ? -15.902 -21.007 26.774 1.00 11.89 ? 271 ASP A O 1
3370ATOM 2069 C CB . ASP A 1 253 ? -14.508 -23.383 24.944 1.00 11.68 ? 271 ASP A CB 1
3371ATOM 2070 C CG . ASP A 1 253 ? -14.932 -24.152 26.179 1.00 12.37 ? 271 ASP A CG 1
3372ATOM 2071 O OD1 . ASP A 1 253 ? -15.965 -23.779 26.786 1.00 13.87 ? 271 ASP A OD1 1
3373ATOM 2072 O OD2 . ASP A 1 253 ? -14.246 -25.116 26.513 1.00 13.02 ? 271 ASP A OD2 1
3374ATOM 2073 N N . TRP A 1 254 ? -13.926 -20.430 25.849 1.00 10.41 ? 272 TRP A N 1
3375ATOM 2074 C CA . TRP A 1 254 ? -13.578 -19.410 26.858 1.00 10.09 ? 272 TRP A CA 1
3376ATOM 2075 C C . TRP A 1 254 ? -12.560 -18.432 26.291 1.00 10.19 ? 272 TRP A C 1
3377ATOM 2076 O O . TRP A 1 254 ? -11.921 -18.752 25.246 1.00 11.21 ? 272 TRP A O 1
3378ATOM 2077 C CB . TRP A 1 254 ? -13.122 -20.067 28.171 1.00 10.00 ? 272 TRP A CB 1
3379ATOM 2078 C CG . TRP A 1 254 ? -12.039 -21.105 28.153 1.00 9.35 ? 272 TRP A CG 1
3380ATOM 2079 C CD1 . TRP A 1 254 ? -12.202 -22.431 28.425 1.00 9.46 ? 272 TRP A CD1 1
3381ATOM 2080 C CD2 . TRP A 1 254 ? -10.621 -20.904 27.997 1.00 9.25 ? 272 TRP A CD2 1
3382ATOM 2081 N NE1 . TRP A 1 254 ? -10.993 -23.068 28.463 1.00 9.52 ? 272 TRP A NE1 1
3383ATOM 2082 C CE2 . TRP A 1 254 ? -10.000 -22.160 28.195 1.00 9.30 ? 272 TRP A CE2 1
3384ATOM 2083 C CE3 . TRP A 1 254 ? -9.802 -19.797 27.726 1.00 9.45 ? 272 TRP A CE3 1
3385ATOM 2084 C CZ2 . TRP A 1 254 ? -8.619 -22.341 28.086 1.00 8.96 ? 272 TRP A CZ2 1
3386ATOM 2085 C CZ3 . TRP A 1 254 ? -8.433 -19.972 27.636 1.00 9.11 ? 272 TRP A CZ3 1
3387ATOM 2086 C CH2 . TRP A 1 254 ? -7.850 -21.231 27.821 1.00 8.81 ? 272 TRP A CH2 1
3388ATOM 2087 N N . VAL A 1 255 ? -12.483 -17.261 26.915 1.00 10.18 ? 273 VAL A N 1
3389ATOM 2088 C CA . VAL A 1 255 ? -11.355 -16.305 26.758 1.00 10.17 ? 273 VAL A CA 1
3390ATOM 2089 C C . VAL A 1 255 ? -10.859 -15.886 28.142 1.00 10.43 ? 273 VAL A C 1
3391ATOM 2090 O O . VAL A 1 255 ? -11.668 -15.801 29.086 1.00 10.90 ? 273 VAL A O 1
3392ATOM 2091 C CB . VAL A 1 255 ? -11.760 -15.097 25.911 1.00 9.89 ? 273 VAL A CB 1
3393ATOM 2092 C CG1 . VAL A 1 255 ? -12.711 -14.179 26.649 1.00 9.97 ? 273 VAL A CG1 1
3394ATOM 2093 C CG2 . VAL A 1 255 ? -10.527 -14.353 25.428 1.00 10.38 ? 273 VAL A CG2 1
3395ATOM 2094 N N . ARG A 1 256 ? -9.570 -15.611 28.260 1.00 11.07 ? 274 ARG A N 1
3396ATOM 2095 C CA . ARG A 1 256 ? -9.003 -15.175 29.555 1.00 11.99 ? 274 ARG A CA 1
3397ATOM 2096 C C . ARG A 1 256 ? -7.922 -14.145 29.311 1.00 12.35 ? 274 ARG A C 1
3398ATOM 2097 O O . ARG A 1 256 ? -7.308 -14.128 28.202 1.00 11.90 ? 274 ARG A O 1
3399ATOM 2098 C CB . ARG A 1 256 ? -8.507 -16.361 30.382 1.00 12.15 ? 274 ARG A CB 1
3400ATOM 2099 C CG . ARG A 1 256 ? -7.215 -16.993 29.895 1.00 12.19 ? 274 ARG A CG 1
3401ATOM 2100 C CD . ARG A 1 256 ? -7.127 -18.376 30.510 1.00 12.28 ? 274 ARG A CD 1
3402ATOM 2101 N NE . ARG A 1 256 ? -5.996 -19.186 30.109 1.00 11.53 ? 274 ARG A NE 1
3403ATOM 2102 C CZ . ARG A 1 256 ? -5.385 -20.055 30.897 1.00 12.21 ? 274 ARG A CZ 1
3404ATOM 2103 N NH1 . ARG A 1 256 ? -5.740 -20.199 32.179 1.00 13.20 ? 274 ARG A NH1 1
3405ATOM 2104 N NH2 . ARG A 1 256 ? -4.383 -20.754 30.410 1.00 11.80 ? 274 ARG A NH2 1
3406ATOM 2105 N N . VAL A 1 257 ? -7.807 -13.272 30.294 1.00 13.12 ? 275 VAL A N 1
3407ATOM 2106 C CA . VAL A 1 257 ? -6.762 -12.226 30.388 1.00 14.66 ? 275 VAL A CA 1
3408ATOM 2107 C C . VAL A 1 257 ? -6.246 -12.209 31.827 1.00 16.05 ? 275 VAL A C 1
3409ATOM 2108 O O . VAL A 1 257 ? -7.054 -12.018 32.754 1.00 16.15 ? 275 VAL A O 1
3410ATOM 2109 C CB . VAL A 1 257 ? -7.277 -10.847 29.962 1.00 14.49 ? 275 VAL A CB 1
3411ATOM 2110 C CG1 . VAL A 1 257 ? -6.208 -9.797 30.212 1.00 14.71 ? 275 VAL A CG1 1
3412ATOM 2111 C CG2 . VAL A 1 257 ? -7.714 -10.837 28.508 1.00 14.37 ? 275 VAL A CG2 1
3413ATOM 2112 N N . TYR A 1 258 ? -4.934 -12.381 31.997 1.00 17.93 ? 276 TYR A N 1
3414ATOM 2113 C CA . TYR A 1 258 ? -4.264 -12.456 33.320 1.00 17.94 ? 276 TYR A CA 1
3415ATOM 2114 C C . TYR A 1 258 ? -3.328 -11.264 33.419 1.00 17.28 ? 276 TYR A C 1
3416ATOM 2115 O O . TYR A 1 258 ? -2.875 -10.776 32.360 1.00 15.73 ? 276 TYR A O 1
3417ATOM 2116 C CB . TYR A 1 258 ? -3.549 -13.799 33.463 1.00 19.15 ? 276 TYR A CB 1
3418ATOM 2117 C CG . TYR A 1 258 ? -4.448 -14.953 33.820 1.00 21.22 ? 276 TYR A CG 1
3419ATOM 2118 C CD1 . TYR A 1 258 ? -5.460 -15.367 32.969 1.00 22.94 ? 276 TYR A CD1 1
3420ATOM 2119 C CD2 . TYR A 1 258 ? -4.273 -15.660 34.999 1.00 23.71 ? 276 TYR A CD2 1
3421ATOM 2120 C CE1 . TYR A 1 258 ? -6.296 -16.424 33.292 1.00 22.59 ? 276 TYR A CE1 1
3422ATOM 2121 C CE2 . TYR A 1 258 ? -5.083 -16.738 35.325 1.00 24.05 ? 276 TYR A CE2 1
3423ATOM 2122 C CZ . TYR A 1 258 ? -6.102 -17.113 34.470 1.00 23.21 ? 276 TYR A CZ 1
3424ATOM 2123 O OH . TYR A 1 258 ? -6.918 -18.152 34.782 1.00 23.70 ? 276 TYR A OH 1
3425ATOM 2124 N N . LYS A 1 259 ? -3.133 -10.797 34.646 1.00 17.07 ? 277 LYS A N 1
3426ATOM 2125 C CA . LYS A 1 259 ? -2.285 -9.648 35.025 1.00 18.73 ? 277 LYS A CA 1
3427ATOM 2126 C C . LYS A 1 259 ? -1.321 -10.113 36.107 1.00 21.16 ? 277 LYS A C 1
3428ATOM 2127 O O . LYS A 1 259 ? -1.654 -10.985 36.894 1.00 19.74 ? 277 LYS A O 1
3429ATOM 2128 C CB . LYS A 1 259 ? -3.171 -8.530 35.580 1.00 19.03 ? 277 LYS A CB 1
3430ATOM 2129 C CG . LYS A 1 259 ? -4.224 -7.976 34.625 1.00 18.70 ? 277 LYS A CG 1
3431ATOM 2130 C CD . LYS A 1 259 ? -3.641 -7.131 33.489 1.00 19.18 ? 277 LYS A CD 1
3432ATOM 2131 C CE . LYS A 1 259 ? -3.091 -5.784 33.930 1.00 19.76 ? 277 LYS A CE 1
3433ATOM 2132 N NZ . LYS A 1 259 ? -2.192 -5.182 32.907 1.00 19.98 ? 277 LYS A NZ 1
3434ATOM 2133 N N . PRO A 1 260 ? -0.113 -9.541 36.237 1.00 26.74 ? 278 PRO A N 1
3435ATOM 2134 C CA . PRO A 1 260 ? 0.738 -9.861 37.385 1.00 31.16 ? 278 PRO A CA 1
3436ATOM 2135 C C . PRO A 1 260 ? 0.066 -9.462 38.713 1.00 34.70 ? 278 PRO A C 1
3437ATOM 2136 O O . PRO A 1 260 ? -0.747 -8.554 38.701 1.00 35.31 ? 278 PRO A O 1
3438ATOM 2137 C CB . PRO A 1 260 ? 2.040 -9.089 37.138 1.00 31.57 ? 278 PRO A CB 1
3439ATOM 2138 C CG . PRO A 1 260 ? 1.690 -8.044 36.082 1.00 30.33 ? 278 PRO A CG 1
3440ATOM 2139 C CD . PRO A 1 260 ? 0.496 -8.577 35.315 1.00 29.34 ? 278 PRO A CD 1
3441ATOM 2140 N N . LYS A 1 261 ? 0.399 -10.171 39.802 1.00 40.11 ? 279 LYS A N 1
3442ATOM 2141 C CA . LYS A 1 261 ? -0.169 -9.988 41.173 1.00 43.86 ? 279 LYS A CA 1
3443ATOM 2142 C C . LYS A 1 261 ? 0.687 -9.011 41.991 1.00 41.94 ? 279 LYS A C 1
3444ATOM 2143 O O . LYS A 1 261 ? 1.044 -7.920 41.556 1.00 39.32 ? 279 LYS A O 1
3445ATOM 2144 C CB . LYS A 1 261 ? -0.260 -11.336 41.902 1.00 46.47 ? 279 LYS A CB 1
3446ATOM 2145 C CG . LYS A 1 261 ? -1.583 -12.074 41.713 1.00 49.13 ? 279 LYS A CG 1
3447ATOM 2146 C CD . LYS A 1 261 ? -1.611 -13.468 42.315 1.00 51.03 ? 279 LYS A CD 1
3448ATOM 2147 C CE . LYS A 1 261 ? -2.923 -13.799 42.993 1.00 52.86 ? 279 LYS A CE 1
3449ATOM 2148 N NZ . LYS A 1 261 ? -3.209 -12.856 44.100 1.00 54.19 ? 279 LYS A NZ 1
3450HETATM 2149 CA CA . CA B 2 . ? -17.362 -22.385 28.047 1.00 15.20 ? 301 CA A CA 1
3451HETATM 2150 N N1 . EPE01 C 3 . ? -7.743 -6.355 8.243 1.00 18.72 ? 302 EPE01 A N1 1
3452HETATM 2151 C C2 . EPE01 C 3 . ? -8.462 -5.534 9.265 1.00 16.68 ? 302 EPE01 A C2 1
3453HETATM 2152 C C3 . EPE01 C 3 . ? -8.092 -5.865 10.711 1.00 17.35 ? 302 EPE01 A C3 1
3454HETATM 2153 N N4 . EPE01 C 3 . ? -7.975 -7.334 10.767 1.00 17.04 ? 302 EPE01 A N4 1
3455HETATM 2154 C C5 . EPE01 C 3 . ? -6.781 -7.689 10.027 1.00 17.11 ? 302 EPE01 A C5 1
3456HETATM 2155 C C6 . EPE01 C 3 . ? -7.363 -7.730 8.633 1.00 16.97 ? 302 EPE01 A C6 1
3457HETATM 2156 C C7 . EPE01 C 3 . ? -8.071 -7.951 12.064 1.00 16.77 ? 302 EPE01 A C7 1
3458HETATM 2157 C C8 . EPE01 C 3 . ? -8.490 -9.440 12.025 1.00 16.60 ? 302 EPE01 A C8 1
3459HETATM 2158 O O8 . EPE01 C 3 . ? -8.391 -10.140 10.781 1.00 14.14 ? 302 EPE01 A O8 1
3460HETATM 2159 C C9 . EPE01 C 3 . ? -8.438 -6.311 6.935 1.00 20.13 ? 302 EPE01 A C9 1
3461HETATM 2160 C C10 . EPE01 C 3 . ? -7.646 -6.965 5.796 1.00 22.62 ? 302 EPE01 A C10 1
3462HETATM 2161 S S . EPE01 C 3 . ? -8.372 -6.708 4.279 1.00 24.90 ? 302 EPE01 A S 1
3463HETATM 2162 O O1S . EPE01 C 3 . ? -7.579 -7.371 3.224 1.00 25.47 ? 302 EPE01 A O1S 1
3464HETATM 2163 O O2S . EPE01 C 3 . ? -8.533 -5.211 4.078 1.00 25.01 ? 302 EPE01 A O2S 1
3465HETATM 2164 O O3S . EPE01 C 3 . ? -9.691 -7.326 4.282 1.00 26.42 ? 302 EPE01 A O3S 1
3466HETATM 2165 N N1 . EPE01 D 3 . ? -11.233 1.732 10.446 1.00 74.61 ? 303 EPE01 A N1 1
3467HETATM 2166 C C2 . EPE01 D 3 . ? -11.682 2.495 9.264 1.00 77.03 ? 303 EPE01 A C2 1
3468HETATM 2167 C C3 . EPE01 D 3 . ? -11.907 3.979 9.617 1.00 76.82 ? 303 EPE01 A C3 1
3469HETATM 2168 N N4 . EPE01 D 3 . ? -12.335 4.282 11.022 1.00 73.77 ? 303 EPE01 A N4 1
3470HETATM 2169 C C5 . EPE01 D 3 . ? -12.654 3.123 11.908 1.00 69.90 ? 303 EPE01 A C5 1
3471HETATM 2170 C C6 . EPE01 D 3 . ? -12.333 1.719 11.409 1.00 69.07 ? 303 EPE01 A C6 1
3472HETATM 2171 C C7 . EPE01 D 3 . ? -11.415 5.232 11.725 1.00 71.46 ? 303 EPE01 A C7 1
3473HETATM 2172 C C8 . EPE01 D 3 . ? -12.126 5.976 12.871 1.00 70.74 ? 303 EPE01 A C8 1
3474HETATM 2173 O O8 . EPE01 D 3 . ? -11.360 5.921 14.096 1.00 61.89 ? 303 EPE01 A O8 1
3475HETATM 2174 C C9 . EPE01 D 3 . ? -10.756 0.357 10.142 1.00 74.40 ? 303 EPE01 A C9 1
3476HETATM 2175 C C10 . EPE01 D 3 . ? -10.121 -0.289 11.396 1.00 75.92 ? 303 EPE01 A C10 1
3477HETATM 2176 S S . EPE01 D 3 . ? -8.757 -1.214 11.091 1.00 77.53 ? 303 EPE01 A S 1
3478HETATM 2177 O O1S . EPE01 D 3 . ? -7.735 -0.305 10.525 1.00 74.01 ? 303 EPE01 A O1S 1
3479HETATM 2178 O O2S . EPE01 D 3 . ? -9.042 -2.313 10.141 1.00 83.78 ? 303 EPE01 A O2S 1
3480HETATM 2179 O O3S . EPE01 D 3 . ? -8.264 -1.864 12.321 1.00 70.44 ? 303 EPE01 A O3S 1
3481HETATM 2180 O O . HOH E 4 . ? 10.567 -6.539 28.064 1.00 30.11 ? 401 HOH A O 1
3482HETATM 2181 O O . HOH E 4 . ? 2.856 -8.848 40.692 1.00 32.14 ? 402 HOH A O 1
3483HETATM 2182 O O . HOH E 4 . ? -10.577 -29.762 22.833 1.00 22.07 ? 403 HOH A O 1
3484HETATM 2183 O O . HOH E 4 . ? 14.705 -5.437 13.988 1.00 28.06 ? 404 HOH A O 1
3485HETATM 2184 O O . HOH E 4 . ? -19.700 -1.776 13.579 1.00 15.14 ? 405 HOH A O 1
3486HETATM 2185 O O . HOH E 4 . ? -15.860 -32.905 31.937 1.00 38.62 ? 406 HOH A O 1
3487HETATM 2186 O O . HOH E 4 . ? -1.813 -27.252 12.848 1.00 20.04 ? 407 HOH A O 1
3488HETATM 2187 O O . HOH E 4 . ? -2.274 6.165 18.441 1.00 21.21 ? 408 HOH A O 1
3489HETATM 2188 O O . HOH E 4 . ? -4.803 -10.557 8.245 1.00 21.78 ? 409 HOH A O 1
3490HETATM 2189 O O . HOH E 4 . ? -7.695 -3.281 5.376 1.00 28.82 ? 410 HOH A O 1
3491HETATM 2190 O O . HOH E 4 . ? -13.161 -24.939 38.795 1.00 31.61 ? 411 HOH A O 1
3492HETATM 2191 O O . HOH E 4 . ? 10.242 5.481 15.461 1.00 12.56 ? 412 HOH A O 1
3493HETATM 2192 O O . HOH E 4 . ? -10.344 -33.000 17.892 1.00 43.69 ? 413 HOH A O 1
3494HETATM 2193 O O . HOH E 4 . ? -12.639 2.409 18.161 1.00 14.86 ? 414 HOH A O 1
3495HETATM 2194 O O . HOH E 4 . ? -7.321 2.537 23.372 1.00 6.92 ? 415 HOH A O 1
3496HETATM 2195 O O . HOH E 4 . ? -12.139 -26.893 34.181 1.00 23.77 ? 416 HOH A O 1
3497HETATM 2196 O O . HOH E 4 . ? 9.205 -17.513 14.306 1.00 18.92 ? 417 HOH A O 1
3498HETATM 2197 O O . HOH E 4 . ? 1.498 -27.284 22.911 1.00 38.45 ? 418 HOH A O 1
3499HETATM 2198 O O . HOH E 4 . ? -13.918 -7.518 -1.243 1.00 20.70 ? 419 HOH A O 1
3500HETATM 2199 O O . HOH E 4 . ? -27.833 -8.115 12.662 1.00 21.22 ? 420 HOH A O 1
3501HETATM 2200 O O . HOH E 4 . ? 7.933 -21.301 16.587 1.00 19.39 ? 421 HOH A O 1
3502HETATM 2201 O O . HOH E 4 . ? 13.879 0.171 16.333 1.00 29.12 ? 422 HOH A O 1
3503HETATM 2202 O O . HOH E 4 . ? -0.490 -4.617 6.135 1.00 35.17 ? 423 HOH A O 1
3504HETATM 2203 O O . HOH E 4 . ? 6.358 -15.193 27.486 1.00 16.88 ? 424 HOH A O 1
3505HETATM 2204 O O . HOH E 4 . ? -7.432 -32.292 12.216 1.00 25.07 ? 425 HOH A O 1
3506HETATM 2205 O O . HOH E 4 . ? -15.244 -2.156 22.410 1.00 17.02 ? 426 HOH A O 1
3507HETATM 2206 O O . HOH E 4 . ? -22.157 -24.166 20.912 1.00 11.24 ? 427 HOH A O 1
3508HETATM 2207 O O . HOH E 4 . ? -27.570 -17.910 0.233 1.00 41.99 ? 428 HOH A O 1
3509HETATM 2208 O O . HOH E 4 . ? 6.159 3.564 25.277 1.00 23.41 ? 429 HOH A O 1
3510HETATM 2209 O O . HOH E 4 . ? -18.357 -3.559 5.351 1.00 33.11 ? 430 HOH A O 1
3511HETATM 2210 O O . HOH E 4 . ? -15.541 -22.536 29.754 1.00 11.98 ? 431 HOH A O 1
3512HETATM 2211 O O . HOH E 4 . ? -18.814 -28.239 16.363 1.00 23.90 ? 432 HOH A O 1
3513HETATM 2212 O O . HOH E 4 . ? -7.606 -29.767 15.478 1.00 12.85 ? 433 HOH A O 1
3514HETATM 2213 O O . HOH E 4 . ? -23.641 -26.512 -4.987 1.00 31.97 ? 434 HOH A O 1
3515HETATM 2214 O O . HOH E 4 . ? -12.276 -19.549 9.577 1.00 11.97 ? 435 HOH A O 1
3516HETATM 2215 O O . HOH E 4 . ? -15.776 -26.574 28.003 1.00 20.50 ? 436 HOH A O 1
3517HETATM 2216 O O . HOH E 4 . ? 9.028 -6.412 13.977 1.00 15.36 ? 437 HOH A O 1
3518HETATM 2217 O O . HOH E 4 . ? -19.507 -27.601 29.386 1.00 34.44 ? 438 HOH A O 1
3519HETATM 2218 O O . HOH E 4 . ? -0.627 6.435 13.437 1.00 11.83 ? 439 HOH A O 1
3520HETATM 2219 O O . HOH E 4 . ? -25.949 -19.047 2.174 1.00 22.77 ? 440 HOH A O 1
3521HETATM 2220 O O . HOH E 4 . ? -26.200 -4.945 21.972 1.00 11.05 ? 441 HOH A O 1
3522HETATM 2221 O O . HOH E 4 . ? -13.099 -20.176 34.971 1.00 11.92 ? 442 HOH A O 1
3523HETATM 2222 O O . HOH E 4 . ? -17.641 -24.986 12.112 1.00 15.46 ? 443 HOH A O 1
3524HETATM 2223 O O . HOH E 4 . ? -19.332 -14.555 0.120 1.00 25.25 ? 444 HOH A O 1
3525HETATM 2224 O O . HOH E 4 . ? 11.327 -13.914 16.582 1.00 13.34 ? 445 HOH A O 1
3526HETATM 2225 O O . HOH E 4 . ? -14.868 -26.226 12.738 1.00 18.12 ? 446 HOH A O 1
3527HETATM 2226 O O . HOH E 4 . ? 4.825 -23.839 27.877 1.00 23.90 ? 447 HOH A O 1
3528HETATM 2227 O O . HOH E 4 . ? -23.200 -22.328 -3.356 1.00 25.41 ? 448 HOH A O 1
3529HETATM 2228 O O . HOH E 4 . ? 7.094 -23.666 25.167 1.00 18.38 ? 449 HOH A O 1
3530HETATM 2229 O O . HOH E 4 . ? -23.015 -20.815 26.450 1.00 18.49 ? 450 HOH A O 1
3531HETATM 2230 O O . HOH E 4 . ? -3.235 -9.129 9.940 1.00 13.90 ? 451 HOH A O 1
3532HETATM 2231 O O . HOH E 4 . ? -7.207 7.599 14.908 1.00 29.17 ? 452 HOH A O 1
3533HETATM 2232 O O . HOH E 4 . ? -14.784 -5.637 29.469 1.00 10.95 ? 453 HOH A O 1
3534HETATM 2233 O O . HOH E 4 . ? 5.611 -18.310 39.901 1.00 30.04 ? 454 HOH A O 1
3535HETATM 2234 O O . HOH E 4 . ? 11.962 -10.968 19.603 1.00 23.41 ? 455 HOH A O 1
3536HETATM 2235 O O . HOH E 4 . ? -4.596 -26.253 24.366 1.00 5.17 ? 456 HOH A O 1
3537HETATM 2236 O O . HOH E 4 . ? -2.233 -12.840 12.067 1.00 12.12 ? 457 HOH A O 1
3538HETATM 2237 O O . HOH E 4 . ? -15.937 0.296 22.115 1.00 19.24 ? 458 HOH A O 1
3539HETATM 2238 O O . HOH E 4 . ? -1.037 -2.961 33.835 1.00 22.48 ? 459 HOH A O 1
3540HETATM 2239 O O . HOH E 4 . ? -22.081 -10.098 16.907 1.00 9.41 ? 460 HOH A O 1
3541HETATM 2240 O O . HOH E 4 . ? -11.002 -33.232 9.102 1.00 29.81 ? 461 HOH A O 1
3542HETATM 2241 O O . HOH E 4 . ? -13.162 -14.593 1.895 1.00 13.05 ? 462 HOH A O 1
3543HETATM 2242 O O . HOH E 4 . ? -0.696 -23.136 29.168 1.00 25.20 ? 463 HOH A O 1
3544HETATM 2243 O O . HOH E 4 . ? -31.341 -12.428 15.472 1.00 17.34 ? 464 HOH A O 1
3545HETATM 2244 O O . HOH E 4 . ? 0.972 5.177 20.732 1.00 14.08 ? 465 HOH A O 1
3546HETATM 2245 O O . HOH E 4 . ? -25.790 -19.292 7.035 1.00 30.76 ? 466 HOH A O 1
3547HETATM 2246 O O . HOH E 4 . ? -22.803 -19.646 10.877 1.00 14.53 ? 467 HOH A O 1
3548HETATM 2247 O O . HOH E 4 . ? -16.174 -18.051 9.756 1.00 12.91 ? 468 HOH A O 1
3549HETATM 2248 O O . HOH E 4 . ? -1.749 -21.015 24.149 1.00 9.80 ? 469 HOH A O 1
3550HETATM 2249 O O . HOH E 4 . ? -3.235 -18.525 9.884 1.00 5.88 ? 470 HOH A O 1
3551HETATM 2250 O O . HOH E 4 . ? -29.365 -16.748 30.595 1.00 35.15 ? 471 HOH A O 1
3552HETATM 2251 O O . HOH E 4 . ? -15.170 -14.716 34.072 1.00 33.01 ? 472 HOH A O 1
3553HETATM 2252 O O . HOH E 4 . ? -26.392 -22.114 16.599 1.00 24.66 ? 473 HOH A O 1
3554HETATM 2253 O O . HOH E 4 . ? 13.320 -18.090 31.751 1.00 17.98 ? 474 HOH A O 1
3555HETATM 2254 O O . HOH E 4 . ? -2.792 -16.045 6.384 1.00 18.63 ? 475 HOH A O 1
3556HETATM 2255 O O . HOH E 4 . ? 2.262 -9.994 7.041 1.00 30.93 ? 476 HOH A O 1
3557HETATM 2256 O O . HOH E 4 . ? -18.721 -18.247 11.314 1.00 5.15 ? 477 HOH A O 1
3558HETATM 2257 O O . HOH E 4 . ? -17.633 5.099 14.518 1.00 27.35 ? 478 HOH A O 1
3559HETATM 2258 O O . HOH E 4 . ? 2.299 -6.715 9.297 1.00 9.89 ? 479 HOH A O 1
3560HETATM 2259 O O . HOH E 4 . ? -20.062 -25.462 12.500 1.00 22.30 ? 480 HOH A O 1
3561HETATM 2260 O O . HOH E 4 . ? -18.567 -14.226 33.156 1.00 32.82 ? 481 HOH A O 1
3562HETATM 2261 O O . HOH E 4 . ? -17.544 -25.846 24.930 1.00 23.78 ? 482 HOH A O 1
3563HETATM 2262 O O . HOH E 4 . ? -27.183 -23.206 25.841 1.00 26.74 ? 483 HOH A O 1
3564HETATM 2263 O O . HOH E 4 . ? -9.115 -23.847 16.316 1.00 7.55 ? 484 HOH A O 1
3565HETATM 2264 O O . HOH E 4 . ? -19.176 -27.446 22.978 1.00 26.68 ? 485 HOH A O 1
3566HETATM 2265 O O . HOH E 4 . ? -17.997 -25.086 31.202 1.00 25.96 ? 486 HOH A O 1
3567HETATM 2266 O O . HOH E 4 . ? -9.175 -28.559 32.184 1.00 29.07 ? 487 HOH A O 1
3568HETATM 2267 O O . HOH E 4 . ? 3.361 7.880 17.954 1.00 19.67 ? 488 HOH A O 1
3569HETATM 2268 O O . HOH E 4 . ? -17.836 -24.826 28.567 1.00 10.34 ? 489 HOH A O 1
3570HETATM 2269 O O . HOH E 4 . ? 9.834 -10.905 22.774 1.00 26.73 ? 490 HOH A O 1
3571HETATM 2270 O O . HOH E 4 . ? -7.382 -8.792 38.828 1.00 29.74 ? 491 HOH A O 1
3572HETATM 2271 O O . HOH E 4 . ? 12.294 -2.088 18.997 1.00 16.26 ? 492 HOH A O 1
3573HETATM 2272 O O . HOH E 4 . ? 4.264 -31.552 14.593 1.00 24.31 ? 493 HOH A O 1
3574HETATM 2273 O O . HOH E 4 . ? -13.725 -19.179 -3.767 1.00 36.12 ? 494 HOH A O 1
3575HETATM 2274 O O . HOH E 4 . ? -6.920 -5.084 31.421 1.00 33.53 ? 495 HOH A O 1
3576HETATM 2275 O O . HOH E 4 . ? -19.915 -17.664 31.590 1.00 15.87 ? 496 HOH A O 1
3577HETATM 2276 O O . HOH E 4 . ? -12.276 1.006 28.060 1.00 24.46 ? 497 HOH A O 1
3578HETATM 2277 O O . HOH E 4 . ? -18.280 -28.161 18.590 1.00 17.95 ? 498 HOH A O 1
3579HETATM 2278 O O . HOH E 4 . ? -6.488 -15.536 8.332 1.00 13.09 ? 499 HOH A O 1
3580HETATM 2279 O O . HOH E 4 . ? -15.119 -23.259 3.189 1.00 15.14 ? 500 HOH A O 1
3581HETATM 2280 O O . HOH E 4 . ? -16.256 -21.044 3.046 1.00 13.35 ? 501 HOH A O 1
3582HETATM 2281 O O . HOH E 4 . ? -11.977 -23.802 0.201 1.00 29.36 ? 502 HOH A O 1
3583HETATM 2282 O O . HOH E 4 . ? -4.617 3.931 26.482 1.00 19.06 ? 503 HOH A O 1
3584HETATM 2283 O O . HOH E 4 . ? 11.487 -18.165 38.264 1.00 33.47 ? 504 HOH A O 1
3585HETATM 2284 O O . HOH E 4 . ? -0.429 -0.350 3.935 1.00 28.27 ? 505 HOH A O 1
3586HETATM 2285 O O . HOH E 4 . ? -4.568 -4.281 31.621 1.00 9.69 ? 506 HOH A O 1
3587HETATM 2286 O O . HOH E 4 . ? -11.703 -3.790 3.227 1.00 30.65 ? 507 HOH A O 1
3588HETATM 2287 O O . HOH E 4 . ? -0.891 -21.813 36.009 1.00 16.30 ? 508 HOH A O 1
3589HETATM 2288 O O . HOH E 4 . ? 5.868 1.794 5.869 1.00 37.15 ? 509 HOH A O 1
3590HETATM 2289 O O . HOH E 4 . ? -6.781 4.532 21.422 1.00 20.70 ? 510 HOH A O 1
3591HETATM 2290 O O . HOH E 4 . ? -12.430 -29.323 26.155 1.00 32.72 ? 511 HOH A O 1
3592HETATM 2291 O O . HOH E 4 . ? 4.744 -17.565 8.148 1.00 22.04 ? 512 HOH A O 1
3593HETATM 2292 O O . HOH E 4 . ? -4.583 -19.304 7.606 1.00 15.09 ? 513 HOH A O 1
3594HETATM 2293 O O . HOH E 4 . ? -2.521 -30.176 17.931 1.00 14.20 ? 514 HOH A O 1
3595HETATM 2294 O O . HOH E 4 . ? -25.186 -4.385 11.086 1.00 37.45 ? 515 HOH A O 1
3596HETATM 2295 O O . HOH E 4 . ? 9.079 -9.348 6.819 1.00 29.66 ? 516 HOH A O 1
3597HETATM 2296 O O . HOH E 4 . ? -2.464 7.841 12.261 1.00 22.42 ? 517 HOH A O 1
3598HETATM 2297 O O . HOH E 4 . ? -20.067 -13.263 -2.402 1.00 31.53 ? 518 HOH A O 1
3599HETATM 2298 O O . HOH E 4 . ? -0.335 -27.953 19.666 1.00 21.26 ? 519 HOH A O 1
3600HETATM 2299 O O . HOH E 4 . ? -5.541 -17.040 -0.649 1.00 23.82 ? 520 HOH A O 1
3601HETATM 2300 O O . HOH E 4 . ? -22.920 -0.148 24.333 1.00 28.47 ? 521 HOH A O 1
3602HETATM 2301 O O . HOH E 4 . ? 11.062 -13.500 23.750 1.00 24.53 ? 522 HOH A O 1
3603HETATM 2302 O O . HOH E 4 . ? 10.550 -19.831 20.569 1.00 23.22 ? 523 HOH A O 1
3604HETATM 2303 O O . HOH E 4 . ? -11.478 -14.173 3.850 1.00 18.46 ? 524 HOH A O 1
3605HETATM 2304 O O . HOH E 4 . ? -3.870 -27.147 32.167 1.00 18.81 ? 525 HOH A O 1
3606HETATM 2305 O O . HOH E 4 . ? -15.296 -27.491 10.275 1.00 27.24 ? 526 HOH A O 1
3607HETATM 2306 O O . HOH E 4 . ? 5.300 -9.774 32.228 1.00 17.57 ? 527 HOH A O 1
3608HETATM 2307 O O . HOH E 4 . ? -22.945 -18.393 -3.996 1.00 33.07 ? 528 HOH A O 1
3609HETATM 2308 O O . HOH E 4 . ? 10.213 -16.252 17.214 1.00 17.95 ? 529 HOH A O 1
3610HETATM 2309 O O . HOH E 4 . ? 5.157 -24.199 12.616 1.00 23.48 ? 530 HOH A O 1
3611HETATM 2310 O O . HOH E 4 . ? -19.885 -0.034 18.679 1.00 36.08 ? 531 HOH A O 1
3612HETATM 2311 O O . HOH E 4 . ? -26.370 -17.970 4.289 1.00 26.15 ? 532 HOH A O 1
3613HETATM 2312 O O . HOH E 4 . ? -20.463 -4.017 14.720 1.00 15.69 ? 533 HOH A O 1
3614HETATM 2313 O O . HOH E 4 . ? -16.902 -16.229 33.196 1.00 18.68 ? 534 HOH A O 1
3615HETATM 2314 O O . HOH E 4 . ? 1.918 -26.035 19.899 1.00 17.62 ? 535 HOH A O 1
3616HETATM 2315 O O . HOH E 4 . ? 3.429 -25.900 18.044 1.00 24.23 ? 536 HOH A O 1
3617HETATM 2316 O O . HOH E 4 . ? 6.969 -7.892 31.426 1.00 34.98 ? 537 HOH A O 1
3618HETATM 2317 O O . HOH E 4 . ? -0.701 -6.287 43.434 1.00 42.58 ? 538 HOH A O 1
3619HETATM 2318 O O . HOH E 4 . ? 0.155 6.973 15.865 1.00 15.82 ? 539 HOH A O 1
3620HETATM 2319 O O . HOH E 4 . ? 5.004 -25.075 10.304 1.00 36.69 ? 540 HOH A O 1
3621HETATM 2320 O O . HOH E 4 . ? -16.736 -29.210 19.694 1.00 36.88 ? 541 HOH A O 1
3622HETATM 2321 O O . HOH E 4 . ? 9.650 4.559 25.166 1.00 18.11 ? 542 HOH A O 1
3623HETATM 2322 O O . HOH E 4 . ? -30.095 -8.870 28.274 1.00 44.43 ? 543 HOH A O 1
3624HETATM 2323 O O . HOH E 4 . ? -18.471 -28.865 14.394 1.00 24.31 ? 544 HOH A O 1
3625HETATM 2324 O O . HOH E 4 . ? -7.139 5.002 26.544 1.00 36.83 ? 545 HOH A O 1
3626HETATM 2325 O O . HOH E 4 . ? 4.000 9.690 16.097 1.00 12.74 ? 546 HOH A O 1
3627HETATM 2326 O O . HOH E 4 . ? 7.611 -0.522 27.683 1.00 20.28 ? 547 HOH A O 1
3628HETATM 2327 O O . HOH E 4 . ? -23.557 -4.437 22.946 1.00 20.58 ? 548 HOH A O 1
3629HETATM 2328 O O . HOH E 4 . ? 9.749 -19.271 18.856 1.00 32.00 ? 549 HOH A O 1
3630HETATM 2329 O O . HOH E 4 . ? -7.342 -14.867 39.966 1.00 27.85 ? 550 HOH A O 1
3631HETATM 2330 O O . HOH E 4 . ? -23.323 -26.837 20.693 1.00 36.12 ? 551 HOH A O 1
3632HETATM 2331 O O . HOH E 4 . ? -17.946 1.157 7.717 1.00 23.44 ? 552 HOH A O 1
3633HETATM 2332 O O . HOH E 4 . ? -1.532 -15.909 3.953 1.00 29.53 ? 553 HOH A O 1
3634HETATM 2333 O O . HOH E 4 . ? -10.682 0.552 30.348 1.00 26.33 ? 554 HOH A O 1
3635HETATM 2334 O O . HOH E 4 . ? -9.680 5.081 26.915 1.00 32.36 ? 555 HOH A O 1
3636HETATM 2335 O O . HOH E 4 . ? 3.691 -25.187 29.926 1.00 24.57 ? 556 HOH A O 1
3637HETATM 2336 O O . HOH E 4 . ? -25.657 -19.358 10.171 1.00 33.29 ? 557 HOH A O 1
3638HETATM 2337 O O . HOH E 4 . ? -5.102 5.233 24.564 1.00 30.68 ? 558 HOH A O 1
3639HETATM 2338 O O . HOH E 4 . ? -29.698 -5.967 12.554 1.00 31.81 ? 559 HOH A O 1
3640HETATM 2339 O O . HOH E 4 . ? -14.949 -30.637 19.406 1.00 36.21 ? 560 HOH A O 1
3641HETATM 2340 O O . HOH E 4 . ? -20.551 -25.655 29.358 1.00 34.28 ? 561 HOH A O 1
3642HETATM 2341 O O . HOH E 4 . ? -22.393 -24.456 29.810 1.00 25.45 ? 562 HOH A O 1
3643HETATM 2342 O O . HOH E 4 . ? 1.420 7.785 19.739 1.00 22.64 ? 563 HOH A O 1
3644HETATM 2343 O O . HOH E 4 . ? 6.497 -22.796 11.392 1.00 39.63 ? 564 HOH A O 1
3645HETATM 2344 O O . HOH E 4 . ? 1.304 -25.409 29.029 1.00 24.07 ? 565 HOH A O 1
3646HETATM 2345 O O . HOH E 4 . ? -22.599 -4.628 14.880 1.00 25.13 ? 566 HOH A O 1
3647HETATM 2346 O O . HOH E 4 . ? -3.672 -15.005 8.205 1.00 15.75 ? 567 HOH A O 1
3648HETATM 2347 O O . HOH E 4 . ? -8.755 5.236 29.025 1.00 36.70 ? 568 HOH A O 1
3649HETATM 2348 O O . HOH E 4 . ? -18.256 5.051 16.822 1.00 35.39 ? 569 HOH A O 1
3650HETATM 2349 O O . HOH E 4 . ? 10.274 -1.039 28.127 1.00 49.07 ? 570 HOH A O 1
3651HETATM 2350 O O . HOH E 4 . ? -1.334 -14.007 9.818 1.00 14.39 ? 571 HOH A O 1
3652HETATM 2351 O O . HOH E 4 . ? -2.900 -28.734 26.897 1.00 24.14 ? 572 HOH A O 1
3653HETATM 2352 O O . HOH E 4 . ? 7.857 2.210 27.143 1.00 26.12 ? 573 HOH A O 1
3654HETATM 2353 O O . HOH E 4 . ? -4.977 8.848 15.656 1.00 29.20 ? 574 HOH A O 1
3655HETATM 2354 O O . HOH E 4 . ? -7.795 -32.442 15.280 1.00 19.85 ? 575 HOH A O 1
3656HETATM 2355 O O . HOH E 4 . ? -9.118 8.824 16.187 1.00 32.58 ? 576 HOH A O 1
3657HETATM 2356 O O . HOH E 4 . ? 13.617 -2.582 20.948 1.00 29.69 ? 577 HOH A O 1
3658HETATM 2357 O O . HOH E 4 . ? -20.422 -18.299 34.280 1.00 30.73 ? 578 HOH A O 1
3659#
3660loop_
3661_pdbx_poly_seq_scheme.asym_id
3662_pdbx_poly_seq_scheme.entity_id
3663_pdbx_poly_seq_scheme.seq_id
3664_pdbx_poly_seq_scheme.mon_id
3665_pdbx_poly_seq_scheme.ndb_seq_num
3666_pdbx_poly_seq_scheme.pdb_seq_num
3667_pdbx_poly_seq_scheme.auth_seq_num
3668_pdbx_poly_seq_scheme.pdb_mon_id
3669_pdbx_poly_seq_scheme.auth_mon_id
3670_pdbx_poly_seq_scheme.pdb_strand_id
3671_pdbx_poly_seq_scheme.pdb_ins_code
3672_pdbx_poly_seq_scheme.hetero
3673A 1 1 MET 1 19 ? ? ? A . n
3674A 1 2 GLN 2 20 20 GLN GLN A . n
3675A 1 3 GLU 3 21 21 GLU GLU A . n
3676A 1 4 LYS 4 22 22 LYS LYS A . n
3677A 1 5 TYR 5 23 23 TYR TYR A . n
3678A 1 6 LYS 6 24 24 LYS LYS A . n
3679A 1 7 ASP 7 25 25 ASP ASP A . n
3680A 1 8 VAL 8 26 26 VAL VAL A . n
3681A 1 9 LEU 9 27 27 LEU LEU A . n
3682A 1 10 LEU 10 28 28 LEU LEU A . n
3683A 1 11 PRO 11 29 29 PRO PRO A . n
3684A 1 12 LYS 12 30 30 LYS LYS A . n
3685A 1 13 GLU 13 31 31 GLU GLU A . n
3686A 1 14 LEU 14 32 32 LEU LEU A . n
3687A 1 15 THR 15 33 33 THR THR A . n
3688A 1 16 GLN 16 34 34 GLN GLN A . n
3689A 1 17 ILE 17 35 35 ILE ILE A . n
3690A 1 18 GLY 18 36 36 GLY GLY A . n
3691A 1 19 ASP 19 37 37 ASP ASP A . n
3692A 1 20 TRP 20 38 38 TRP TRP A . n
3693A 1 21 LYS 21 39 39 LYS LYS A . n
3694A 1 22 VAL 22 40 40 VAL VAL A . n
3695A 1 23 ASP 23 41 41 ASP ASP A . n
3696A 1 24 LYS 24 42 42 LYS LYS A . n
3697A 1 25 ASN 25 43 43 ASN ASN A . n
3698A 1 26 LEU 26 44 44 LEU LEU A . n
3699A 1 27 SER 27 45 45 SER SER A . n
3700A 1 28 ASP 28 46 46 ASP ASP A . n
3701A 1 29 ASP 29 47 47 ASP ASP A . n
3702A 1 30 PHE 30 48 48 PHE PHE A . n
3703A 1 31 ASN 31 49 49 ASN ASN A . n
3704A 1 32 TYR 32 50 50 TYR TYR A . n
3705A 1 33 THR 33 51 51 THR THR A . n
3706A 1 34 THR 34 52 52 THR THR A . n
3707A 1 35 LYS 35 53 53 LYS LYS A . n
3708A 1 36 ASN 36 54 54 ASN ASN A . n
3709A 1 37 LYS 37 55 55 LYS LYS A . n
3710A 1 38 LYS 38 56 56 LYS LYS A . n
3711A 1 39 PHE 39 57 57 PHE PHE A . n
3712A 1 40 PHE 40 58 58 PHE PHE A . n
3713A 1 41 LYS 41 59 59 LYS LYS A . n
3714A 1 42 LYS 42 60 60 LYS LYS A . n
3715A 1 43 TRP 43 61 61 TRP TRP A . n
3716A 1 44 LYS 44 62 62 LYS LYS A . n
3717A 1 45 ASP 45 63 63 ASP ASP A . n
3718A 1 46 SER 46 64 64 SER SER A . n
3719A 1 47 TYR 47 65 65 TYR TYR A . n
3720A 1 48 THR 48 66 66 THR THR A . n
3721A 1 49 ASN 49 67 67 ASN ASN A . n
3722A 1 50 ASP 50 68 68 ASP ASP A . n
3723A 1 51 TRP 51 69 69 TRP TRP A . n
3724A 1 52 THR 52 70 70 THR THR A . n
3725A 1 53 GLY 53 71 71 GLY GLY A . n
3726A 1 54 PRO 54 72 72 PRO PRO A . n
3727A 1 55 GLY 55 73 73 GLY GLY A . n
3728A 1 56 LEU 56 74 74 LEU LEU A . n
3729A 1 57 SER 57 75 75 SER SER A . n
3730A 1 58 HIS 58 76 76 HIS HIS A . n
3731A 1 59 PHE 59 77 77 PHE PHE A . n
3732A 1 60 SER 60 78 78 SER SER A . n
3733A 1 61 SER 61 79 79 SER SER A . n
3734A 1 62 ASN 62 80 80 ASN ASN A . n
3735A 1 63 HIS 63 81 81 HIS HIS A . n
3736A 1 64 SER 64 82 82 SER SER A . n
3737A 1 65 ILE 65 83 83 ILE ILE A . n
3738A 1 66 LEU 66 84 84 LEU LEU A . n
3739A 1 67 LYS 67 85 85 LYS LYS A . n
3740A 1 68 ASP 68 86 86 ASP ASP A . n
3741A 1 69 GLY 69 87 87 GLY GLY A . n
3742A 1 70 ASN 70 88 88 ASN ASN A . n
3743A 1 71 LEU 71 89 89 LEU LEU A . n
3744A 1 72 GLU 72 90 90 GLU GLU A . n
3745A 1 73 ILE 73 91 91 ILE ILE A . n
3746A 1 74 LYS 74 92 92 LYS LYS A . n
3747A 1 75 ALA 75 93 93 ALA ALA A . n
3748A 1 76 GLU 76 94 94 GLU GLU A . n
3749A 1 77 ARG 77 95 95 ARG ARG A . n
3750A 1 78 LYS 78 96 96 LYS LYS A . n
3751A 1 79 PRO 79 97 97 PRO PRO A . n
3752A 1 80 PRO 80 98 98 PRO PRO A . n
3753A 1 81 ASN 81 99 99 ASN ASN A . n
3754A 1 82 LYS 82 100 100 LYS LYS A . n
3755A 1 83 VAL 83 101 101 VAL VAL A . n
3756A 1 84 TYR 84 102 102 TYR TYR A . n
3757A 1 85 CYS 85 103 103 CYS CYS A . n
3758A 1 86 GLY 86 104 104 GLY GLY A . n
3759A 1 87 VAL 87 105 105 VAL VAL A . n
3760A 1 88 ILE 88 106 106 ILE ILE A . n
3761A 1 89 SER 89 107 107 SER SER A . n
3762A 1 90 SER 90 108 108 SER SER A . n
3763A 1 91 ARG 91 109 109 ARG ARG A . n
3764A 1 92 LYS 92 110 110 LYS LYS A . n
3765A 1 93 GLU 93 111 111 GLU GLU A . n
3766A 1 94 VAL 94 112 112 VAL VAL A . n
3767A 1 95 ILE 95 113 113 ILE ILE A . n
3768A 1 96 TYR 96 114 114 TYR TYR A . n
3769A 1 97 PRO 97 115 115 PRO PRO A . n
3770A 1 98 ALA 98 116 116 ALA ALA A . n
3771A 1 99 TYR 99 117 117 TYR TYR A . n
3772A 1 100 MET 100 118 118 MET MET A . n
3773A 1 101 GLU 101 119 119 GLU GLU A . n
3774A 1 102 ILE 102 120 120 ILE ILE A . n
3775A 1 103 LYS 103 121 121 LYS LYS A . n
3776A 1 104 MET 104 122 122 MET MET A . n
3777A 1 105 LYS 105 123 123 LYS LYS A . n
3778A 1 106 ILE 106 124 124 ILE ILE A . n
3779A 1 107 SER 107 125 125 SER SER A . n
3780A 1 108 GLY 108 126 126 GLY GLY A . n
3781A 1 109 LEU 109 127 127 LEU LEU A . n
3782A 1 110 LYS 110 128 128 LYS LYS A . n
3783A 1 111 LEU 111 129 129 LEU LEU A . n
3784A 1 112 SER 112 130 130 SER SER A . n
3785A 1 113 SER 113 131 131 SER SER A . n
3786A 1 114 ASN 114 132 132 ASN ASN A . n
3787A 1 115 PHE 115 133 133 PHE PHE A . n
3788A 1 116 TRP 116 134 134 TRP TRP A . n
3789A 1 117 PHE 117 135 135 PHE PHE A . n
3790A 1 118 ILE 118 136 136 ILE ILE A . n
3791A 1 119 SER 119 137 137 SER SER A . n
3792A 1 120 LYS 120 138 138 LYS LYS A . n
3793A 1 121 ASP 121 139 139 ASP ASP A . n
3794A 1 122 GLN 122 140 140 GLN GLN A . n
3795A 1 123 VAL 123 141 141 VAL VAL A . n
3796A 1 124 LEU 124 142 142 LEU LEU A . n
3797A 1 125 GLU 125 143 143 GLU GLU A . n
3798A 1 126 ILE 126 144 144 ILE ILE A . n
3799A 1 127 ASP 127 145 145 ASP ASP A . n
3800A 1 128 VAL 128 146 146 VAL VAL A . n
3801A 1 129 ASN 129 147 147 ASN ASN A . n
3802A 1 130 GLU 130 148 148 GLU GLU A . n
3803A 1 131 THR 131 149 149 THR THR A . n
3804A 1 132 TYR 132 150 150 TYR TYR A . n
3805A 1 133 GLY 133 151 151 GLY GLY A . n
3806A 1 134 ASN 134 152 152 ASN ASN A . n
3807A 1 135 GLU 135 153 153 GLU GLU A . n
3808A 1 136 PRO 136 154 154 PRO PRO A . n
3809A 1 137 ASP 137 155 155 ASP ASP A . n
3810A 1 138 ARG 138 156 156 ARG ARG A . n
3811A 1 139 SER 139 157 157 SER SER A . n
3812A 1 140 LYS 140 158 158 LYS LYS A . n
3813A 1 141 LYS 141 159 159 LYS LYS A . n
3814A 1 142 MET 142 160 160 MET MET A . n
3815A 1 143 GLY 143 161 161 GLY GLY A . n
3816A 1 144 THR 144 162 162 THR THR A . n
3817A 1 145 ASN 145 163 163 ASN ASN A . n
3818A 1 146 TYR 146 164 164 TYR TYR A . n
3819A 1 147 HIS 147 165 165 HIS HIS A . n
3820A 1 148 ILE 148 166 166 ILE ILE A . n
3821A 1 149 PHE 149 167 167 PHE PHE A . n
3822A 1 150 GLN 150 168 168 GLN GLN A . n
3823A 1 151 ARG 151 169 169 ARG ARG A . n
3824A 1 152 THR 152 170 170 THR THR A . n
3825A 1 153 PRO 153 171 171 PRO PRO A . n
3826A 1 154 PHE 154 172 172 PHE PHE A . n
3827A 1 155 LYS 155 173 173 LYS LYS A . n
3828A 1 156 ASP 156 174 174 ASP ASP A . n
3829A 1 157 LEU 157 175 175 LEU LEU A . n
3830A 1 158 THR 158 176 176 THR THR A . n
3831A 1 159 PRO 159 177 177 PRO PRO A . n
3832A 1 160 ASN 160 178 178 ASN ASN A . n
3833A 1 161 ASN 161 179 179 ASN ASN A . n
3834A 1 162 GLY 162 180 180 GLY GLY A . n
3835A 1 163 LYS 163 181 181 LYS LYS A . n
3836A 1 164 HIS 164 182 182 HIS HIS A . n
3837A 1 165 TYR 165 183 183 TYR TYR A . n
3838A 1 166 THR 166 184 184 THR THR A . n
3839A 1 167 ALA 167 185 185 ALA ALA A . n
3840A 1 168 LYS 168 186 186 LYS LYS A . n
3841A 1 169 GLY 169 187 187 GLY GLY A . n
3842A 1 170 ALA 170 188 188 ALA ALA A . n
3843A 1 171 PRO 171 189 189 PRO PRO A . n
3844A 1 172 PHE 172 190 190 PHE PHE A . n
3845A 1 173 LEU 173 191 191 LEU LEU A . n
3846A 1 174 LYS 174 192 192 LYS LYS A . n
3847A 1 175 ASP 175 193 193 ASP ASP A . n
3848A 1 176 GLN 176 194 194 GLN GLN A . n
3849A 1 177 PHE 177 195 195 PHE PHE A . n
3850A 1 178 HIS 178 196 196 HIS HIS A . n
3851A 1 179 ARG 179 197 197 ARG ARG A . n
3852A 1 180 PHE 180 198 198 PHE PHE A . n
3853A 1 181 GLY 181 199 199 GLY GLY A . n
3854A 1 182 CYS 182 200 200 CYS CYS A . n
3855A 1 183 HIS 183 201 201 HIS HIS A . n
3856A 1 184 TRP 184 202 202 TRP TRP A . n
3857A 1 185 LYS 185 203 203 LYS LYS A . n
3858A 1 186 ASP 186 204 204 ASP ASP A . n
3859A 1 187 ALA 187 205 205 ALA ALA A . n
3860A 1 188 TYR 188 206 206 TYR TYR A . n
3861A 1 189 HIS 189 207 207 HIS HIS A . n
3862A 1 190 ALA 190 208 208 ALA ALA A . n
3863A 1 191 ASP 191 209 209 ASP ASP A . n
3864A 1 192 PHE 192 210 210 PHE PHE A . n
3865A 1 193 TYR 193 211 211 TYR TYR A . n
3866A 1 194 LEU 194 212 212 LEU LEU A . n
3867A 1 195 ASP 195 213 213 ASP ASP A . n
3868A 1 196 GLY 196 214 214 GLY GLY A . n
3869A 1 197 THR 197 215 215 THR THR A . n
3870A 1 198 LEU 198 216 216 LEU LEU A . n
3871A 1 199 VAL 199 217 217 VAL VAL A . n
3872A 1 200 ARG 200 218 218 ARG ARG A . n
3873A 1 201 GLN 201 219 219 GLN GLN A . n
3874A 1 202 LEU 202 220 220 LEU LEU A . n
3875A 1 203 THR 203 221 221 THR THR A . n
3876A 1 204 ILE 204 222 222 ILE ILE A . n
3877A 1 205 GLU 205 223 223 GLU GLU A . n
3878A 1 206 ASP 206 224 224 ASP ASP A . n
3879A 1 207 PRO 207 225 225 PRO PRO A . n
3880A 1 208 ARG 208 226 226 ARG ARG A . n
3881A 1 209 THR 209 227 227 THR THR A . n
3882A 1 210 SER 210 228 228 SER SER A . n
3883A 1 211 GLY 211 229 229 GLY GLY A . n
3884A 1 212 VAL 212 230 230 VAL VAL A . n
3885A 1 213 GLY 213 231 231 GLY GLY A . n
3886A 1 214 PHE 214 232 232 PHE PHE A . n
3887A 1 215 ASN 215 233 233 ASN ASN A . n
3888A 1 216 GLN 216 234 234 GLN GLN A . n
3889A 1 217 GLY 217 235 235 GLY GLY A . n
3890A 1 218 LEU 218 236 236 LEU LEU A . n
3891A 1 219 LEU 219 237 237 LEU LEU A . n
3892A 1 220 MET 220 238 238 MET MET A . n
3893A 1 221 VAL 221 239 239 VAL VAL A . n
3894A 1 222 ILE 222 240 240 ILE ILE A . n
3895A 1 223 ASP 223 241 241 ASP ASP A . n
3896A 1 224 THR 224 242 242 THR THR A . n
3897A 1 225 GLU 225 243 243 GLU GLU A . n
3898A 1 226 ASP 226 244 244 ASP ASP A . n
3899A 1 227 HIS 227 245 245 HIS HIS A . n
3900A 1 228 ASP 228 246 246 ASP ASP A . n
3901A 1 229 TRP 229 247 247 TRP TRP A . n
3902A 1 230 ARG 230 248 248 ARG ARG A . n
3903A 1 231 SER 231 249 249 SER SER A . n
3904A 1 232 LYS 232 250 250 LYS LYS A . n
3905A 1 233 LYS 233 251 251 LYS LYS A . n
3906A 1 234 GLY 234 252 252 GLY GLY A . n
3907A 1 235 ILE 235 253 253 ILE ILE A . n
3908A 1 236 THR 236 254 254 THR THR A . n
3909A 1 237 PRO 237 255 255 PRO PRO A . n
3910A 1 238 THR 238 256 256 THR THR A . n
3911A 1 239 ASP 239 257 257 ASP ASP A . n
3912A 1 240 ASP 240 258 258 ASP ASP A . n
3913A 1 241 GLU 241 259 259 GLU GLU A . n
3914A 1 242 LEU 242 260 260 LEU LEU A . n
3915A 1 243 LEU 243 261 261 LEU LEU A . n
3916A 1 244 ASP 244 262 262 ASP ASP A . n
3917A 1 245 GLU 245 263 263 GLU GLU A . n
3918A 1 246 THR 246 264 264 THR THR A . n
3919A 1 247 ILE 247 265 265 ILE ILE A . n
3920A 1 248 ASN 248 266 266 ASN ASN A . n
3921A 1 249 THR 249 267 267 THR THR A . n
3922A 1 250 MET 250 268 268 MET MET A . n
3923A 1 251 TYR 251 269 269 TYR TYR A . n
3924A 1 252 VAL 252 270 270 VAL VAL A . n
3925A 1 253 ASP 253 271 271 ASP ASP A . n
3926A 1 254 TRP 254 272 272 TRP TRP A . n
3927A 1 255 VAL 255 273 273 VAL VAL A . n
3928A 1 256 ARG 256 274 274 ARG ARG A . n
3929A 1 257 VAL 257 275 275 VAL VAL A . n
3930A 1 258 TYR 258 276 276 TYR TYR A . n
3931A 1 259 LYS 259 277 277 LYS LYS A . n
3932A 1 260 PRO 260 278 278 PRO PRO A . n
3933A 1 261 LYS 261 279 279 LYS LYS A . n
3934A 1 262 LEU 262 280 ? ? ? A . n
3935A 1 263 ASP 263 281 ? ? ? A . n
3936A 1 264 HIS 264 282 ? ? ? A . n
3937A 1 265 HIS 265 283 ? ? ? A . n
3938A 1 266 HIS 266 284 ? ? ? A . n
3939A 1 267 HIS 267 285 ? ? ? A . n
3940A 1 268 HIS 268 286 ? ? ? A . n
3941A 1 269 HIS 269 287 ? ? ? A . n
3942#
3943loop_
3944_pdbx_nonpoly_scheme.asym_id
3945_pdbx_nonpoly_scheme.entity_id
3946_pdbx_nonpoly_scheme.mon_id
3947_pdbx_nonpoly_scheme.ndb_seq_num
3948_pdbx_nonpoly_scheme.pdb_seq_num
3949_pdbx_nonpoly_scheme.auth_seq_num
3950_pdbx_nonpoly_scheme.pdb_mon_id
3951_pdbx_nonpoly_scheme.auth_mon_id
3952_pdbx_nonpoly_scheme.pdb_strand_id
3953_pdbx_nonpoly_scheme.pdb_ins_code
3954B 2 CA 1 301 301 CA CA A .
3955C 3 EPE01 1 302 401 EPE01 EPE01 A .
3956D 3 EPE01 1 303 402 EPE01 EPE01 A .
3957E 4 HOH 1 401 118 HOH HOH A .
3958E 4 HOH 2 402 170 HOH HOH A .
3959E 4 HOH 3 403 106 HOH HOH A .
3960E 4 HOH 4 404 62 HOH HOH A .
3961E 4 HOH 5 405 36 HOH HOH A .
3962E 4 HOH 6 406 180 HOH HOH A .
3963E 4 HOH 7 407 21 HOH HOH A .
3964E 4 HOH 8 408 120 HOH HOH A .
3965E 4 HOH 9 409 60 HOH HOH A .
3966E 4 HOH 10 410 149 HOH HOH A .
3967E 4 HOH 11 411 145 HOH HOH A .
3968E 4 HOH 12 412 28 HOH HOH A .
3969E 4 HOH 13 413 103 HOH HOH A .
3970E 4 HOH 14 414 56 HOH HOH A .
3971E 4 HOH 15 415 6 HOH HOH A .
3972E 4 HOH 16 416 39 HOH HOH A .
3973E 4 HOH 17 417 51 HOH HOH A .
3974E 4 HOH 18 418 182 HOH HOH A .
3975E 4 HOH 19 419 46 HOH HOH A .
3976E 4 HOH 20 420 90 HOH HOH A .
3977E 4 HOH 21 421 29 HOH HOH A .
3978E 4 HOH 22 422 154 HOH HOH A .
3979E 4 HOH 23 423 97 HOH HOH A .
3980E 4 HOH 24 424 2 HOH HOH A .
3981E 4 HOH 25 425 75 HOH HOH A .
3982E 4 HOH 26 426 27 HOH HOH A .
3983E 4 HOH 27 427 11 HOH HOH A .
3984E 4 HOH 28 428 157 HOH HOH A .
3985E 4 HOH 29 429 34 HOH HOH A .
3986E 4 HOH 30 430 152 HOH HOH A .
3987E 4 HOH 31 431 12 HOH HOH A .
3988E 4 HOH 32 432 108 HOH HOH A .
3989E 4 HOH 33 433 15 HOH HOH A .
3990E 4 HOH 34 434 78 HOH HOH A .
3991E 4 HOH 35 435 16 HOH HOH A .
3992E 4 HOH 36 436 69 HOH HOH A .
3993E 4 HOH 37 437 55 HOH HOH A .
3994E 4 HOH 38 438 147 HOH HOH A .
3995E 4 HOH 39 439 25 HOH HOH A .
3996E 4 HOH 40 440 82 HOH HOH A .
3997E 4 HOH 41 441 42 HOH HOH A .
3998E 4 HOH 42 442 76 HOH HOH A .
3999E 4 HOH 43 443 96 HOH HOH A .
4000E 4 HOH 44 444 130 HOH HOH A .
4001E 4 HOH 45 445 31 HOH HOH A .
4002E 4 HOH 46 446 20 HOH HOH A .
4003E 4 HOH 47 447 81 HOH HOH A .
4004E 4 HOH 48 448 136 HOH HOH A .
4005E 4 HOH 49 449 44 HOH HOH A .
4006E 4 HOH 50 450 32 HOH HOH A .
4007E 4 HOH 51 451 5 HOH HOH A .
4008E 4 HOH 52 452 91 HOH HOH A .
4009E 4 HOH 53 453 8 HOH HOH A .
4010E 4 HOH 54 454 132 HOH HOH A .
4011E 4 HOH 55 455 45 HOH HOH A .
4012E 4 HOH 56 456 3 HOH HOH A .
4013E 4 HOH 57 457 37 HOH HOH A .
4014E 4 HOH 58 458 68 HOH HOH A .
4015E 4 HOH 59 459 99 HOH HOH A .
4016E 4 HOH 60 460 4 HOH HOH A .
4017E 4 HOH 61 461 158 HOH HOH A .
4018E 4 HOH 62 462 14 HOH HOH A .
4019E 4 HOH 63 463 80 HOH HOH A .
4020E 4 HOH 64 464 61 HOH HOH A .
4021E 4 HOH 65 465 84 HOH HOH A .
4022E 4 HOH 66 466 181 HOH HOH A .
4023E 4 HOH 67 467 13 HOH HOH A .
4024E 4 HOH 68 468 38 HOH HOH A .
4025E 4 HOH 69 469 24 HOH HOH A .
4026E 4 HOH 70 470 30 HOH HOH A .
4027E 4 HOH 71 471 49 HOH HOH A .
4028E 4 HOH 72 472 148 HOH HOH A .
4029E 4 HOH 73 473 73 HOH HOH A .
4030E 4 HOH 74 474 59 HOH HOH A .
4031E 4 HOH 75 475 107 HOH HOH A .
4032E 4 HOH 76 476 95 HOH HOH A .
4033E 4 HOH 77 477 7 HOH HOH A .
4034E 4 HOH 78 478 133 HOH HOH A .
4035E 4 HOH 79 479 1 HOH HOH A .
4036E 4 HOH 80 480 77 HOH HOH A .
4037E 4 HOH 81 481 79 HOH HOH A .
4038E 4 HOH 82 482 119 HOH HOH A .
4039E 4 HOH 83 483 131 HOH HOH A .
4040E 4 HOH 84 484 19 HOH HOH A .
4041E 4 HOH 85 485 70 HOH HOH A .
4042E 4 HOH 86 486 117 HOH HOH A .
4043E 4 HOH 87 487 141 HOH HOH A .
4044E 4 HOH 88 488 86 HOH HOH A .
4045E 4 HOH 89 489 23 HOH HOH A .
4046E 4 HOH 90 490 93 HOH HOH A .
4047E 4 HOH 91 491 159 HOH HOH A .
4048E 4 HOH 92 492 100 HOH HOH A .
4049E 4 HOH 93 493 176 HOH HOH A .
4050E 4 HOH 94 494 139 HOH HOH A .
4051E 4 HOH 95 495 116 HOH HOH A .
4052E 4 HOH 96 496 67 HOH HOH A .
4053E 4 HOH 97 497 111 HOH HOH A .
4054E 4 HOH 98 498 104 HOH HOH A .
4055E 4 HOH 99 499 22 HOH HOH A .
4056E 4 HOH 100 500 18 HOH HOH A .
4057E 4 HOH 101 501 48 HOH HOH A .
4058E 4 HOH 102 502 156 HOH HOH A .
4059E 4 HOH 103 503 83 HOH HOH A .
4060E 4 HOH 104 504 167 HOH HOH A .
4061E 4 HOH 105 505 129 HOH HOH A .
4062E 4 HOH 106 506 40 HOH HOH A .
4063E 4 HOH 107 507 114 HOH HOH A .
4064E 4 HOH 108 508 105 HOH HOH A .
4065E 4 HOH 109 509 171 HOH HOH A .
4066E 4 HOH 110 510 63 HOH HOH A .
4067E 4 HOH 111 511 169 HOH HOH A .
4068E 4 HOH 112 512 101 HOH HOH A .
4069E 4 HOH 113 513 26 HOH HOH A .
4070E 4 HOH 114 514 57 HOH HOH A .
4071E 4 HOH 115 515 92 HOH HOH A .
4072E 4 HOH 116 516 137 HOH HOH A .
4073E 4 HOH 117 517 53 HOH HOH A .
4074E 4 HOH 118 518 151 HOH HOH A .
4075E 4 HOH 119 519 9 HOH HOH A .
4076E 4 HOH 120 520 50 HOH HOH A .
4077E 4 HOH 121 521 150 HOH HOH A .
4078E 4 HOH 122 522 89 HOH HOH A .
4079E 4 HOH 123 523 65 HOH HOH A .
4080E 4 HOH 124 524 74 HOH HOH A .
4081E 4 HOH 125 525 122 HOH HOH A .
4082E 4 HOH 126 526 135 HOH HOH A .
4083E 4 HOH 127 527 144 HOH HOH A .
4084E 4 HOH 128 528 162 HOH HOH A .
4085E 4 HOH 129 529 43 HOH HOH A .
4086E 4 HOH 130 530 35 HOH HOH A .
4087E 4 HOH 131 531 174 HOH HOH A .
4088E 4 HOH 132 532 47 HOH HOH A .
4089E 4 HOH 133 533 10 HOH HOH A .
4090E 4 HOH 134 534 71 HOH HOH A .
4091E 4 HOH 135 535 85 HOH HOH A .
4092E 4 HOH 136 536 98 HOH HOH A .
4093E 4 HOH 137 537 164 HOH HOH A .
4094E 4 HOH 138 538 161 HOH HOH A .
4095E 4 HOH 139 539 66 HOH HOH A .
4096E 4 HOH 140 540 124 HOH HOH A .
4097E 4 HOH 141 541 143 HOH HOH A .
4098E 4 HOH 142 542 33 HOH HOH A .
4099E 4 HOH 143 543 173 HOH HOH A .
4100E 4 HOH 144 544 58 HOH HOH A .
4101E 4 HOH 145 545 87 HOH HOH A .
4102E 4 HOH 146 546 102 HOH HOH A .
4103E 4 HOH 147 547 41 HOH HOH A .
4104E 4 HOH 148 548 52 HOH HOH A .
4105E 4 HOH 149 549 54 HOH HOH A .
4106E 4 HOH 150 550 72 HOH HOH A .
4107E 4 HOH 151 551 166 HOH HOH A .
4108E 4 HOH 152 552 128 HOH HOH A .
4109E 4 HOH 153 553 155 HOH HOH A .
4110E 4 HOH 154 554 109 HOH HOH A .
4111E 4 HOH 155 555 94 HOH HOH A .
4112E 4 HOH 156 556 125 HOH HOH A .
4113E 4 HOH 157 557 179 HOH HOH A .
4114E 4 HOH 158 558 140 HOH HOH A .
4115E 4 HOH 159 559 146 HOH HOH A .
4116E 4 HOH 160 560 172 HOH HOH A .
4117E 4 HOH 161 561 127 HOH HOH A .
4118E 4 HOH 162 562 138 HOH HOH A .
4119E 4 HOH 163 563 110 HOH HOH A .
4120E 4 HOH 164 564 168 HOH HOH A .
4121E 4 HOH 165 565 88 HOH HOH A .
4122E 4 HOH 166 566 121 HOH HOH A .
4123E 4 HOH 167 567 64 HOH HOH A .
4124E 4 HOH 168 568 126 HOH HOH A .
4125E 4 HOH 169 569 160 HOH HOH A .
4126E 4 HOH 170 570 163 HOH HOH A .
4127E 4 HOH 171 571 17 HOH HOH A .
4128E 4 HOH 172 572 142 HOH HOH A .
4129E 4 HOH 173 573 113 HOH HOH A .
4130E 4 HOH 174 574 115 HOH HOH A .
4131E 4 HOH 175 575 112 HOH HOH A .
4132E 4 HOH 176 576 178 HOH HOH A .
4133E 4 HOH 177 577 134 HOH HOH A .
4134E 4 HOH 178 578 123 HOH HOH A .
4135#
4136_pdbx_struct_assembly.id 1
4137_pdbx_struct_assembly.details author_and_software_defined_assembly
4138_pdbx_struct_assembly.method_details PISA
4139_pdbx_struct_assembly.oligomeric_details monomeric
4140_pdbx_struct_assembly.oligomeric_count 1
4141#
4142_pdbx_struct_assembly_gen.assembly_id 1
4143_pdbx_struct_assembly_gen.oper_expression 1
4144_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E
4145#
4146loop_
4147_pdbx_struct_assembly_prop.biol_id
4148_pdbx_struct_assembly_prop.type
4149_pdbx_struct_assembly_prop.value
4150_pdbx_struct_assembly_prop.details
41511 'ABSA (A^2)' 90 ?
41521 MORE -13 ?
41531 'SSA (A^2)' 12030 ?
4154#
4155_pdbx_struct_oper_list.id 1
4156_pdbx_struct_oper_list.type 'identity operation'
4157_pdbx_struct_oper_list.name 1_555
4158_pdbx_struct_oper_list.symmetry_operation x,y,z
4159_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
4160_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
4161_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
4162_pdbx_struct_oper_list.vector[1] 0.0000000000
4163_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
4164_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
4165_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
4166_pdbx_struct_oper_list.vector[2] 0.0000000000
4167_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
4168_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
4169_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
4170_pdbx_struct_oper_list.vector[3] 0.0000000000
4171#
4172loop_
4173_pdbx_struct_conn_angle.id
4174_pdbx_struct_conn_angle.ptnr1_label_atom_id
4175_pdbx_struct_conn_angle.ptnr1_label_alt_id
4176_pdbx_struct_conn_angle.ptnr1_label_asym_id
4177_pdbx_struct_conn_angle.ptnr1_label_comp_id
4178_pdbx_struct_conn_angle.ptnr1_label_seq_id
4179_pdbx_struct_conn_angle.ptnr1_auth_atom_id
4180_pdbx_struct_conn_angle.ptnr1_auth_asym_id
4181_pdbx_struct_conn_angle.ptnr1_auth_comp_id
4182_pdbx_struct_conn_angle.ptnr1_auth_seq_id
4183_pdbx_struct_conn_angle.ptnr1_PDB_ins_code
4184_pdbx_struct_conn_angle.ptnr1_symmetry
4185_pdbx_struct_conn_angle.ptnr2_label_atom_id
4186_pdbx_struct_conn_angle.ptnr2_label_alt_id
4187_pdbx_struct_conn_angle.ptnr2_label_asym_id
4188_pdbx_struct_conn_angle.ptnr2_label_comp_id
4189_pdbx_struct_conn_angle.ptnr2_label_seq_id
4190_pdbx_struct_conn_angle.ptnr2_auth_atom_id
4191_pdbx_struct_conn_angle.ptnr2_auth_asym_id
4192_pdbx_struct_conn_angle.ptnr2_auth_comp_id
4193_pdbx_struct_conn_angle.ptnr2_auth_seq_id
4194_pdbx_struct_conn_angle.ptnr2_PDB_ins_code
4195_pdbx_struct_conn_angle.ptnr2_symmetry
4196_pdbx_struct_conn_angle.ptnr3_label_atom_id
4197_pdbx_struct_conn_angle.ptnr3_label_alt_id
4198_pdbx_struct_conn_angle.ptnr3_label_asym_id
4199_pdbx_struct_conn_angle.ptnr3_label_comp_id
4200_pdbx_struct_conn_angle.ptnr3_label_seq_id
4201_pdbx_struct_conn_angle.ptnr3_auth_atom_id
4202_pdbx_struct_conn_angle.ptnr3_auth_asym_id
4203_pdbx_struct_conn_angle.ptnr3_auth_comp_id
4204_pdbx_struct_conn_angle.ptnr3_auth_seq_id
4205_pdbx_struct_conn_angle.ptnr3_PDB_ins_code
4206_pdbx_struct_conn_angle.ptnr3_symmetry
4207_pdbx_struct_conn_angle.value
4208_pdbx_struct_conn_angle.value_esd
42091 O ? A ASP 29 ? A ASP 47 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASN 31 ? A ASN 49 ? 1_555 71.5 ?
42102 O ? A ASP 29 ? A ASP 47 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? A GLY 69 ? A GLY 87 ? 1_555 99.2 ?
42113 OD1 ? A ASN 31 ? A ASN 49 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? A GLY 69 ? A GLY 87 ? 1_555 90.0 ?
42124 O ? A ASP 29 ? A ASP 47 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? A ASP 253 ? A ASP 271 ? 1_555 73.9 ?
42135 OD1 ? A ASN 31 ? A ASN 49 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? A ASP 253 ? A ASP 271 ? 1_555 144.6 ?
42146 O ? A GLY 69 ? A GLY 87 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? A ASP 253 ? A ASP 271 ? 1_555 88.4 ?
42157 O ? A ASP 29 ? A ASP 47 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASP 253 ? A ASP 271 ? 1_555 145.0 ?
42168 OD1 ? A ASN 31 ? A ASN 49 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASP 253 ? A ASP 271 ? 1_555 143.3 ?
42179 O ? A GLY 69 ? A GLY 87 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASP 253 ? A ASP 271 ? 1_555 87.3 ?
421810 O ? A ASP 253 ? A ASP 271 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 OD1 ? A ASP 253 ? A ASP 271 ? 1_555 72.0 ?
421911 O ? A ASP 29 ? A ASP 47 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? E HOH . ? A HOH 431 ? 1_555 86.9 ?
422012 OD1 ? A ASN 31 ? A ASN 49 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? E HOH . ? A HOH 431 ? 1_555 97.9 ?
422113 O ? A GLY 69 ? A GLY 87 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? E HOH . ? A HOH 431 ? 1_555 171.3 ?
422214 O ? A ASP 253 ? A ASP 271 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? E HOH . ? A HOH 431 ? 1_555 87.3 ?
422315 OD1 ? A ASP 253 ? A ASP 271 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? E HOH . ? A HOH 431 ? 1_555 84.1 ?
422416 O ? A ASP 29 ? A ASP 47 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? E HOH . ? A HOH 489 ? 1_555 143.5 ?
422517 OD1 ? A ASN 31 ? A ASN 49 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? E HOH . ? A HOH 489 ? 1_555 74.0 ?
422618 O ? A GLY 69 ? A GLY 87 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? E HOH . ? A HOH 489 ? 1_555 92.1 ?
422719 O ? A ASP 253 ? A ASP 271 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? E HOH . ? A HOH 489 ? 1_555 141.4 ?
422820 OD1 ? A ASP 253 ? A ASP 271 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? E HOH . ? A HOH 489 ? 1_555 69.5 ?
422921 O ? E HOH . ? A HOH 431 ? 1_555 CA ? B CA . ? A CA 301 ? 1_555 O ? E HOH . ? A HOH 489 ? 1_555 86.5 ?
4230#
4231_pdbx_audit_revision_history.ordinal 1
4232_pdbx_audit_revision_history.data_content_type 'Structure model'
4233_pdbx_audit_revision_history.major_revision 1
4234_pdbx_audit_revision_history.minor_revision 0
4235_pdbx_audit_revision_history.revision_date 2022-08-03
4236#
4237_pdbx_audit_revision_details.ordinal 1
4238_pdbx_audit_revision_details.revision_ordinal 1
4239_pdbx_audit_revision_details.data_content_type 'Structure model'
4240_pdbx_audit_revision_details.provider repository
4241_pdbx_audit_revision_details.type 'Initial release'
4242_pdbx_audit_revision_details.description ?
4243_pdbx_audit_revision_details.details ?
4244#
4245loop_
4246_software.citation_id
4247_software.classification
4248_software.compiler_name
4249_software.compiler_version
4250_software.contact_author
4251_software.contact_author_email
4252_software.date
4253_software.description
4254_software.dependencies
4255_software.hardware
4256_software.language
4257_software.location
4258_software.mods
4259_software.name
4260_software.os
4261_software.os_version
4262_software.type
4263_software.version
4264_software.pdbx_ordinal
4265? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0258 1
4266? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? 0.7.4 2
4267? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.27 3
4268? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? CrysalisPro ? ? ? . 4
4269? phasing ? ? ? ? ? ? ? ? ? ? ? MOLREP ? ? ? . 5
4270#
4271_pdbx_entry_details.entry_id PDB_00017FGZ
4272_pdbx_entry_details.has_ligand_of_interest Y
4273_pdbx_entry_details.compound_details ?
4274_pdbx_entry_details.source_details ?
4275_pdbx_entry_details.nonpolymer_details ?
4276_pdbx_entry_details.sequence_details ?
4277#
4278loop_
4279_pdbx_validate_close_contact.id
4280_pdbx_validate_close_contact.PDB_model_num
4281_pdbx_validate_close_contact.auth_atom_id_1
4282_pdbx_validate_close_contact.auth_asym_id_1
4283_pdbx_validate_close_contact.auth_comp_id_1
4284_pdbx_validate_close_contact.auth_seq_id_1
4285_pdbx_validate_close_contact.PDB_ins_code_1
4286_pdbx_validate_close_contact.label_alt_id_1
4287_pdbx_validate_close_contact.auth_atom_id_2
4288_pdbx_validate_close_contact.auth_asym_id_2
4289_pdbx_validate_close_contact.auth_comp_id_2
4290_pdbx_validate_close_contact.auth_seq_id_2
4291_pdbx_validate_close_contact.PDB_ins_code_2
4292_pdbx_validate_close_contact.label_alt_id_2
4293_pdbx_validate_close_contact.dist
42941 1 O A HOH 523 ? ? O A HOH 549 ? ? 1.97
42952 1 O A HOH 432 ? ? O A HOH 544 ? ? 2.09
42963 1 O A HOH 498 ? ? O A HOH 541 ? ? 2.17
4297#
4298_pdbx_validate_symm_contact.id 1
4299_pdbx_validate_symm_contact.PDB_model_num 1
4300_pdbx_validate_symm_contact.auth_atom_id_1 O
4301_pdbx_validate_symm_contact.auth_asym_id_1 A
4302_pdbx_validate_symm_contact.auth_comp_id_1 HOH
4303_pdbx_validate_symm_contact.auth_seq_id_1 546
4304_pdbx_validate_symm_contact.PDB_ins_code_1 ?
4305_pdbx_validate_symm_contact.label_alt_id_1 ?
4306_pdbx_validate_symm_contact.site_symmetry_1 1_555
4307_pdbx_validate_symm_contact.auth_atom_id_2 O
4308_pdbx_validate_symm_contact.auth_asym_id_2 A
4309_pdbx_validate_symm_contact.auth_comp_id_2 HOH
4310_pdbx_validate_symm_contact.auth_seq_id_2 572
4311_pdbx_validate_symm_contact.PDB_ins_code_2 ?
4312_pdbx_validate_symm_contact.label_alt_id_2 ?
4313_pdbx_validate_symm_contact.site_symmetry_2 3_555
4314_pdbx_validate_symm_contact.dist 2.13
4315#
4316loop_
4317_pdbx_validate_torsion.id
4318_pdbx_validate_torsion.PDB_model_num
4319_pdbx_validate_torsion.auth_comp_id
4320_pdbx_validate_torsion.auth_asym_id
4321_pdbx_validate_torsion.auth_seq_id
4322_pdbx_validate_torsion.PDB_ins_code
4323_pdbx_validate_torsion.label_alt_id
4324_pdbx_validate_torsion.phi
4325_pdbx_validate_torsion.psi
43261 1 ASP A 63 ? ? -86.79 49.12
43272 1 THR A 170 ? ? -50.68 -79.07
43283 1 PHE A 172 ? ? -32.35 116.07
4329#
4330_pdbx_validate_peptide_omega.id 1
4331_pdbx_validate_peptide_omega.PDB_model_num 1
4332_pdbx_validate_peptide_omega.auth_comp_id_1 ASN
4333_pdbx_validate_peptide_omega.auth_asym_id_1 A
4334_pdbx_validate_peptide_omega.auth_seq_id_1 88
4335_pdbx_validate_peptide_omega.PDB_ins_code_1 ?
4336_pdbx_validate_peptide_omega.label_alt_id_1 ?
4337_pdbx_validate_peptide_omega.auth_comp_id_2 LEU
4338_pdbx_validate_peptide_omega.auth_asym_id_2 A
4339_pdbx_validate_peptide_omega.auth_seq_id_2 89
4340_pdbx_validate_peptide_omega.PDB_ins_code_2 ?
4341_pdbx_validate_peptide_omega.label_alt_id_2 ?
4342_pdbx_validate_peptide_omega.omega 148.78
4343#
4344loop_
4345_pdbx_unobs_or_zero_occ_residues.id
4346_pdbx_unobs_or_zero_occ_residues.PDB_model_num
4347_pdbx_unobs_or_zero_occ_residues.polymer_flag
4348_pdbx_unobs_or_zero_occ_residues.occupancy_flag
4349_pdbx_unobs_or_zero_occ_residues.auth_asym_id
4350_pdbx_unobs_or_zero_occ_residues.auth_comp_id
4351_pdbx_unobs_or_zero_occ_residues.auth_seq_id
4352_pdbx_unobs_or_zero_occ_residues.PDB_ins_code
4353_pdbx_unobs_or_zero_occ_residues.label_asym_id
4354_pdbx_unobs_or_zero_occ_residues.label_comp_id
4355_pdbx_unobs_or_zero_occ_residues.label_seq_id
43561 1 Y 1 A MET 19 ? A MET 1
43572 1 Y 1 A LEU 280 ? A LEU 262
43583 1 Y 1 A ASP 281 ? A ASP 263
43594 1 Y 1 A HIS 282 ? A HIS 264
43605 1 Y 1 A HIS 283 ? A HIS 265
43616 1 Y 1 A HIS 284 ? A HIS 266
43627 1 Y 1 A HIS 285 ? A HIS 267
43638 1 Y 1 A HIS 286 ? A HIS 268
43649 1 Y 1 A HIS 287 ? A HIS 269
4365#
4366loop_
4367_pdbx_entity_instance_feature.ordinal
4368_pdbx_entity_instance_feature.comp_id
4369_pdbx_entity_instance_feature.asym_id
4370_pdbx_entity_instance_feature.seq_num
4371_pdbx_entity_instance_feature.auth_comp_id
4372_pdbx_entity_instance_feature.auth_asym_id
4373_pdbx_entity_instance_feature.auth_seq_num
4374_pdbx_entity_instance_feature.feature_type
4375_pdbx_entity_instance_feature.details
43761 CA ? ? CA ? ? 'SUBJECT OF INVESTIGATION' ?
43772 EPE01 ? ? EPE01 ? ? 'SUBJECT OF INVESTIGATION' ?
4378#
4379loop_
4380_pdbx_entity_nonpoly.entity_id
4381_pdbx_entity_nonpoly.name
4382_pdbx_entity_nonpoly.comp_id
43832 'CALCIUM ION' CA
43843 '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' EPE01
43854 water HOH
4386#
4387_pdbx_struct_assembly_auth_evidence.id 1
4388_pdbx_struct_assembly_auth_evidence.assembly_id 1
4389_pdbx_struct_assembly_auth_evidence.experimental_support none
4390_pdbx_struct_assembly_auth_evidence.details ?
4391#