data_1A2C
#
_model_server_result.job_id            y9MVpI1ww10Y5xAihfVuwQ 
_model_server_result.datetime_utc      '2022-06-14 23:41:52' 
_model_server_result.server_version    0.9.9 
_model_server_result.query_name        full 
_model_server_result.source_id         pdb-bcif 
_model_server_result.entry_id          1a2c 
#
_entry.id    1A2C 
#
_audit_conform.dict_location    http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
_audit_conform.dict_name        mmcif_pdbx.dic 
_audit_conform.dict_version     5.279 
#
loop_
_database_2.database_id
_database_2.database_code
pdb 1A2C 
wwpdb D_1000170306 
#
_pdbx_database_status.status_code                      REL 
_pdbx_database_status.status_code_sf                   ? 
_pdbx_database_status.status_code_mr                   ? 
_pdbx_database_status.entry_id                         1A2C 
_pdbx_database_status.recvd_initial_deposition_date    1997-12-26 
_pdbx_database_status.SG_entry                         . 
_pdbx_database_status.deposit_site                     ? 
_pdbx_database_status.process_site                     ? 
_pdbx_database_status.status_code_cs                   ? 
_pdbx_database_status.methods_development_category     . 
_pdbx_database_status.pdb_format_compatible            y 
#
loop_
_audit_author.name
_audit_author.pdbx_ordinal
_audit_author.identifier_ORCID
'Rios-Steiner, J.L.' 1 . 
'Murakami, M.' 2 . 
'Tulinsky, A.' 3 . 
#
loop_
_citation.book_publisher
_citation.country
_citation.id
_citation.journal_abbrev
_citation.journal_id_ASTM
_citation.journal_id_CSD
_citation.journal_id_ISSN
_citation.journal_volume
_citation.page_first
_citation.page_last
_citation.title
_citation.year
_citation.pdbx_database_id_DOI
_citation.pdbx_database_id_PubMed
? US primary J.Am.Chem.Soc. JACSAT 4 0002-7863 120 597 ? 'Structure of Thrombin Inhibited by Aeruginosin 298-A from a Blue-Green Alga' 1998 ? -1 
? UK 1 'Tetrahedron Lett.' TELEAY 24 0040-4039 35 3129 ? 'Aeruginosin 298-A, a Thrombin and Trypsin Inhibitor from the Blue-Green Alga Microcystis Aeruginosa (Nies-298)' 1994 ? ? 
? UK 2 J.Mol.Biol. JMOBAK 70 0022-2836 221 583 ? 'Refined Structure of the Hirudin-Thrombin Complex' 1991 ? ? 
? US 3 Science SCIEAS 38 0036-8075 249 277 ? 'The Structure of a Complex of Recombinant Hirudin and Human Alpha-Thrombin' 1990 ? ? 
#
loop_
_citation_author.citation_id
_citation_author.name
_citation_author.ordinal
primary 'Steiner, J.L.R.' 1 
primary 'Murakami, M.' 2 
primary 'Tulinsky, A.' 3 
1 'Murakami, M.' 4 
1 'Okita, Y.' 5 
1 'Matsuda, H.' 6 
1 'Okino, T.' 7 
1 'Yamaguchi, K.' 8 
2 'Rydel, T.J.' 9 
2 'Tulinsky, A.' 10 
2 'Bode, W.' 11 
2 'Huber, R.' 12 
3 'Rydel, T.J.' 13 
3 'Ravichandran, K.G.' 14 
3 'Tulinsky, A.' 15 
3 'Bode, W.' 16 
3 'Huber, R.' 17 
3 'Roitsch, C.' 18 
3 'Fenton II, J.W.' 19 
#
_cell.angle_alpha         90 
_cell.angle_beta          100.93 
_cell.angle_gamma         90 
_cell.entry_id            1A2C 
_cell.length_a            71.97 
_cell.length_b            72.48 
_cell.length_c            72.24 
_cell.Z_PDB               4 
_cell.pdbx_unique_axis    ? 
#
_symmetry.entry_id                 1A2C 
_symmetry.cell_setting             ? 
_symmetry.Int_Tables_number        5 
_symmetry.space_group_name_Hall    ? 
_symmetry.space_group_name_H-M     'C 1 2 1' 
#
loop_
_entity.details
_entity.formula_weight
_entity.id
_entity.src_method
_entity.type
_entity.pdbx_description
_entity.pdbx_number_of_molecules
_entity.pdbx_mutation
_entity.pdbx_fragment
_entity.pdbx_ec
? 4096.534 1 nat polymer 'Thrombin light chain' 1 ? ? 3.4.21.5 
? 29780.219 2 nat polymer 'Thrombin heavy chain' 1 ? ? 3.4.21.5 
? 1534.554 3 man polymer 'Hirudin variant-2' 1 ? 'UNP residues 60-71' ? 
? 604.737 4 nat polymer 'Aeruginosin 298-A' 1 ? ? ? 
? 22.99 5 syn non-polymer 'SODIUM ION' 1 ? ? ? 
? 18.015 6 nat water water 176 ? ? ? 
#
loop_
_entity_poly.entity_id
_entity_poly.nstd_linkage
_entity_poly.nstd_monomer
_entity_poly.type
_entity_poly.pdbx_strand_id
_entity_poly.pdbx_seq_one_letter_code
_entity_poly.pdbx_seq_one_letter_code_can
_entity_poly.pdbx_target_identifier
1 no no polypeptide(L) L TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR ? 
2 no no polypeptide(L) H 
;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM
LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL
QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY
THVFRLKKWIQKVIDQFGE
;

;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM
LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL
QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY
THVFRLKKWIQKVIDQFGE
;
? 
3 no yes polypeptide(L) I NGDFEEIPEE(TYS)L NGDFEEIPEEYL ? 
4 no yes polypeptide(L) J (34H)L(PRJ)(OAR) XLXR ? 
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.hetero
_entity_poly_seq.mon_id
_entity_poly_seq.num
1 n THR 1 
1 n PHE 2 
1 n GLY 3 
1 n SER 4 
1 n GLY 5 
1 n GLU 6 
1 n ALA 7 
1 n ASP 8 
1 n CYS 9 
1 n GLY 10 
1 n LEU 11 
1 n ARG 12 
1 n PRO 13 
1 n LEU 14 
1 n PHE 15 
1 n GLU 16 
1 n LYS 17 
1 n LYS 18 
1 n SER 19 
1 n LEU 20 
1 n GLU 21 
1 n ASP 22 
1 n LYS 23 
1 n THR 24 
1 n GLU 25 
1 n ARG 26 
1 n GLU 27 
1 n LEU 28 
1 n LEU 29 
1 n GLU 30 
1 n SER 31 
1 n TYR 32 
1 n ILE 33 
1 n ASP 34 
1 n GLY 35 
1 n ARG 36 
2 n ILE 1 
2 n VAL 2 
2 n GLU 3 
2 n GLY 4 
2 n SER 5 
2 n ASP 6 
2 n ALA 7 
2 n GLU 8 
2 n ILE 9 
2 n GLY 10 
2 n MET 11 
2 n SER 12 
2 n PRO 13 
2 n TRP 14 
2 n GLN 15 
2 n VAL 16 
2 n MET 17 
2 n LEU 18 
2 n PHE 19 
2 n ARG 20 
2 n LYS 21 
2 n SER 22 
2 n PRO 23 
2 n GLN 24 
2 n GLU 25 
2 n LEU 26 
2 n LEU 27 
2 n CYS 28 
2 n GLY 29 
2 n ALA 30 
2 n SER 31 
2 n LEU 32 
2 n ILE 33 
2 n SER 34 
2 n ASP 35 
2 n ARG 36 
2 n TRP 37 
2 n VAL 38 
2 n LEU 39 
2 n THR 40 
2 n ALA 41 
2 n ALA 42 
2 n HIS 43 
2 n CYS 44 
2 n LEU 45 
2 n LEU 46 
2 n TYR 47 
2 n PRO 48 
2 n PRO 49 
2 n TRP 50 
2 n ASP 51 
2 n LYS 52 
2 n ASN 53 
2 n PHE 54 
2 n THR 55 
2 n GLU 56 
2 n ASN 57 
2 n ASP 58 
2 n LEU 59 
2 n LEU 60 
2 n VAL 61 
2 n ARG 62 
2 n ILE 63 
2 n GLY 64 
2 n LYS 65 
2 n HIS 66 
2 n SER 67 
2 n ARG 68 
2 n THR 69 
2 n ARG 70 
2 n TYR 71 
2 n GLU 72 
2 n ARG 73 
2 n ASN 74 
2 n ILE 75 
2 n GLU 76 
2 n LYS 77 
2 n ILE 78 
2 n SER 79 
2 n MET 80 
2 n LEU 81 
2 n GLU 82 
2 n LYS 83 
2 n ILE 84 
2 n TYR 85 
2 n ILE 86 
2 n HIS 87 
2 n PRO 88 
2 n ARG 89 
2 n TYR 90 
2 n ASN 91 
2 n TRP 92 
2 n ARG 93 
2 n GLU 94 
2 n ASN 95 
2 n LEU 96 
2 n ASP 97 
2 n ARG 98 
2 n ASP 99 
2 n ILE 100 
2 n ALA 101 
2 n LEU 102 
2 n MET 103 
2 n LYS 104 
2 n LEU 105 
2 n LYS 106 
2 n LYS 107 
2 n PRO 108 
2 n VAL 109 
2 n ALA 110 
2 n PHE 111 
2 n SER 112 
2 n ASP 113 
2 n TYR 114 
2 n ILE 115 
2 n HIS 116 
2 n PRO 117 
2 n VAL 118 
2 n CYS 119 
2 n LEU 120 
2 n PRO 121 
2 n ASP 122 
2 n ARG 123 
2 n GLU 124 
2 n THR 125 
2 n ALA 126 
2 n ALA 127 
2 n SER 128 
2 n LEU 129 
2 n LEU 130 
2 n GLN 131 
2 n ALA 132 
2 n GLY 133 
2 n TYR 134 
2 n LYS 135 
2 n GLY 136 
2 n ARG 137 
2 n VAL 138 
2 n THR 139 
2 n GLY 140 
2 n TRP 141 
2 n GLY 142 
2 n ASN 143 
2 n LEU 144 
2 n LYS 145 
2 n GLU 146 
2 n THR 147 
2 n TRP 148 
2 n THR 149 
2 n ALA 150 
2 n ASN 151 
2 n VAL 152 
2 n GLY 153 
2 n LYS 154 
2 n GLY 155 
2 n GLN 156 
2 n PRO 157 
2 n SER 158 
2 n VAL 159 
2 n LEU 160 
2 n GLN 161 
2 n VAL 162 
2 n VAL 163 
2 n ASN 164 
2 n LEU 165 
2 n PRO 166 
2 n ILE 167 
2 n VAL 168 
2 n GLU 169 
2 n ARG 170 
2 n PRO 171 
2 n VAL 172 
2 n CYS 173 
2 n LYS 174 
2 n ASP 175 
2 n SER 176 
2 n THR 177 
2 n ARG 178 
2 n ILE 179 
2 n ARG 180 
2 n ILE 181 
2 n THR 182 
2 n ASP 183 
2 n ASN 184 
2 n MET 185 
2 n PHE 186 
2 n CYS 187 
2 n ALA 188 
2 n GLY 189 
2 n TYR 190 
2 n LYS 191 
2 n PRO 192 
2 n ASP 193 
2 n GLU 194 
2 n GLY 195 
2 n LYS 196 
2 n ARG 197 
2 n GLY 198 
2 n ASP 199 
2 n ALA 200 
2 n CYS 201 
2 n GLU 202 
2 n GLY 203 
2 n ASP 204 
2 n SER 205 
2 n GLY 206 
2 n GLY 207 
2 n PRO 208 
2 n PHE 209 
2 n VAL 210 
2 n MET 211 
2 n LYS 212 
2 n SER 213 
2 n PRO 214 
2 n PHE 215 
2 n ASN 216 
2 n ASN 217 
2 n ARG 218 
2 n TRP 219 
2 n TYR 220 
2 n GLN 221 
2 n MET 222 
2 n GLY 223 
2 n ILE 224 
2 n VAL 225 
2 n SER 226 
2 n TRP 227 
2 n GLY 228 
2 n GLU 229 
2 n GLY 230 
2 n CYS 231 
2 n ASP 232 
2 n ARG 233 
2 n ASP 234 
2 n GLY 235 
2 n LYS 236 
2 n TYR 237 
2 n GLY 238 
2 n PHE 239 
2 n TYR 240 
2 n THR 241 
2 n HIS 242 
2 n VAL 243 
2 n PHE 244 
2 n ARG 245 
2 n LEU 246 
2 n LYS 247 
2 n LYS 248 
2 n TRP 249 
2 n ILE 250 
2 n GLN 251 
2 n LYS 252 
2 n VAL 253 
2 n ILE 254 
2 n ASP 255 
2 n GLN 256 
2 n PHE 257 
2 n GLY 258 
2 n GLU 259 
3 n ASN 1 
3 n GLY 2 
3 n ASP 3 
3 n PHE 4 
3 n GLU 5 
3 n GLU 6 
3 n ILE 7 
3 n PRO 8 
3 n GLU 9 
3 n GLU 10 
3 n TYS 11 
3 n LEU 12 
4 n 34H 1 
4 n LEU 2 
4 n PRJ 3 
4 n OAR 4 
#
loop_
_entity_src_nat.entity_id
_entity_src_nat.pdbx_organism_scientific
_entity_src_nat.pdbx_plasmid_name
_entity_src_nat.pdbx_src_id
_entity_src_nat.pdbx_beg_seq_num
_entity_src_nat.pdbx_end_seq_num
1 'Homo sapiens' ? 1 ? ? 
2 'Homo sapiens' ? 1 ? ? 
3 'Hirudo medicinalis' ? 1 ? ? 
4 'Microcystis aeruginosa' ? 1 ? ? 
#
loop_
_struct_ref.id
_struct_ref.db_name
_struct_ref.db_code
_struct_ref.entity_id
_struct_ref.pdbx_db_accession
_struct_ref.pdbx_align_begin
_struct_ref.pdbx_seq_one_letter_code
_struct_ref.pdbx_db_isoform
1 UNP THRB_HUMAN 1 P00734 328 TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR . 
2 UNP THRB_HUMAN 2 P00734 364 
;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM
LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL
QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY
THVFRLKKWIQKVIDQFGE
;
. 
3 UNP HIRV2_HIRME 3 P09945 60 NGDFEEIPEEYL . 
4 PDB 1A2C 4 1A2C 1 XLPX . 
#
loop_
_struct_ref_seq.align_id
_struct_ref_seq.ref_id
_struct_ref_seq.pdbx_PDB_id_code
_struct_ref_seq.pdbx_strand_id
_struct_ref_seq.seq_align_beg
_struct_ref_seq.pdbx_seq_align_beg_ins_code
_struct_ref_seq.seq_align_end
_struct_ref_seq.pdbx_seq_align_end_ins_code
_struct_ref_seq.pdbx_db_accession
_struct_ref_seq.db_align_beg
_struct_ref_seq.pdbx_db_align_beg_ins_code
_struct_ref_seq.db_align_end
_struct_ref_seq.pdbx_db_align_end_ins_code
_struct_ref_seq.pdbx_auth_seq_align_beg
_struct_ref_seq.pdbx_auth_seq_align_end
1 1 1A2C L 1 H 36 . P00734 328 . 363 . 1 15 
2 2 1A2C H 1 . 259 . P00734 364 . 622 . 16 247 
3 3 1A2C I 1 . 12 . P09945 60 . 71 . 353 364 
4 4 1A2C J 1 . 4 . 1A2C 1 . 4 . 1 4 
#
loop_
_chem_comp.formula
_chem_comp.formula_weight
_chem_comp.id
_chem_comp.mon_nstd_flag
_chem_comp.name
_chem_comp.type
_chem_comp.pdbx_synonyms
'C9 H10 O4' 182.173 34H . '(2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID' non-polymer ? 
'C3 H7 N O2' 89.093 ALA y ALANINE 'l-peptide linking' ? 
'C6 H15 N4 O2 1' 175.209 ARG y ARGININE 'l-peptide linking' ? 
'C4 H8 N2 O3' 132.118 ASN y ASPARAGINE 'l-peptide linking' ? 
'C4 H7 N O4' 133.103 ASP y 'ASPARTIC ACID' 'l-peptide linking' ? 
'C3 H7 N O2 S' 121.158 CYS y CYSTEINE 'l-peptide linking' ? 
'C5 H10 N2 O3' 146.144 GLN y GLUTAMINE 'l-peptide linking' ? 
'C5 H9 N O4' 147.129 GLU y 'GLUTAMIC ACID' 'l-peptide linking' ? 
'C2 H5 N O2' 75.067 GLY y GLYCINE 'peptide linking' ? 
'C6 H10 N3 O2 1' 156.162 HIS y HISTIDINE 'l-peptide linking' ? 
'H2 O' 18.015 HOH . WATER non-polymer ? 
'C6 H13 N O2' 131.173 ILE y ISOLEUCINE 'l-peptide linking' ? 
'C6 H13 N O2' 131.173 LEU y LEUCINE 'l-peptide linking' ? 
'C6 H15 N2 O2 1' 147.195 LYS y LYSINE 'l-peptide linking' ? 
'C5 H11 N O2 S' 149.211 MET y METHIONINE 'l-peptide linking' ? 
'Na 1' 22.99 NA . 'SODIUM ION' non-polymer ? 
'C6 H16 N4 O' 160.217 OAR n N-(4-AMINO-5-HYDROXY-PENTYL)-GUANIDINE peptide-like ? 
'C9 H11 N O2' 165.189 PHE y PHENYLALANINE 'l-peptide linking' ? 
'C9 H15 N O3' 185.22 PRJ n '(2S,3aS,6R,7aS)-6-hydroxyoctahydro-1H-indole-2-carboxylic acid' 'l-peptide linking' ? 
'C5 H9 N O2' 115.13 PRO y PROLINE 'l-peptide linking' ? 
'C3 H7 N O3' 105.093 SER y SERINE 'l-peptide linking' ? 
'C4 H9 N O3' 119.119 THR y THREONINE 'l-peptide linking' ? 
'C11 H12 N2 O2' 204.225 TRP y TRYPTOPHAN 'l-peptide linking' ? 
'C9 H11 N O3' 181.189 TYR y TYROSINE 'l-peptide linking' ? 
'C9 H11 N O6 S' 261.252 TYS n O-SULFO-L-TYROSINE 'l-peptide linking' ? 
'C5 H11 N O2' 117.146 VAL y VALINE 'l-peptide linking' ? 
#
_exptl.entry_id    1A2C 
_exptl.method      'X-RAY DIFFRACTION' 
#
_exptl_crystal.id                     1 
_exptl_crystal.density_meas           . 
_exptl_crystal.density_Matthews       2.61 
_exptl_crystal.density_percent_sol    52.89 
_exptl_crystal.description            . 
_exptl_crystal.F_000                  . 
_exptl_crystal.preparation            . 
#
_exptl_crystal_grow.crystal_id       1 
_exptl_crystal_grow.method           . 
_exptl_crystal_grow.temp             . 
_exptl_crystal_grow.temp_details     . 
_exptl_crystal_grow.pH               7.300000000000001 
_exptl_crystal_grow.pdbx_pH_range    . 
_exptl_crystal_grow.pdbx_details     'pH 7.3' 
#
_diffrn.id                      1 
_diffrn.ambient_temp            287 
_diffrn.ambient_temp_details    . 
_diffrn.crystal_id              1 
#
_diffrn_detector.diffrn_id               1 
_diffrn_detector.detector                'IMAGE PLATE' 
_diffrn_detector.type                    RIGAKU 
_diffrn_detector.pdbx_collection_date    1995-03 
_diffrn_detector.details                 'NO MIRRORS' 
#
_diffrn_radiation.diffrn_id                         1 
_diffrn_radiation.wavelength_id                     1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l    M 
_diffrn_radiation.monochromator                     'NI FILTER' 
_diffrn_radiation.pdbx_diffrn_protocol              . 
_diffrn_radiation.pdbx_scattering_type              x-ray 
#
_diffrn_radiation_wavelength.id            1 
_diffrn_radiation_wavelength.wavelength    1.5417999999999998 
_diffrn_radiation_wavelength.wt            1 
#
_diffrn_source.diffrn_id                    1 
_diffrn_source.source                       'ROTATING ANODE' 
_diffrn_source.type                         'RIGAKU RUH2R' 
_diffrn_source.pdbx_synchrotron_site        . 
_diffrn_source.pdbx_synchrotron_beamline    . 
_diffrn_source.pdbx_wavelength              1.5417999999999998 
_diffrn_source.pdbx_wavelength_list         . 
#
_reflns.entry_id                      1A2C 
_reflns.observed_criterion_sigma_I    2 
_reflns.observed_criterion_sigma_F    . 
_reflns.d_resolution_low              15 
_reflns.d_resolution_high             2.1 
_reflns.number_obs                    15999 
_reflns.number_all                    . 
_reflns.percent_possible_obs          70 
_reflns.pdbx_Rmerge_I_obs             0.082 
_reflns.pdbx_Rsym_value               . 
_reflns.pdbx_netI_over_sigmaI         8 
_reflns.B_iso_Wilson_estimate         29.6 
_reflns.pdbx_redundancy               3.3000000000000003 
_reflns.R_free_details                . 
_reflns.limit_h_max                   . 
_reflns.limit_h_min                   . 
_reflns.limit_k_max                   . 
_reflns.limit_k_min                   . 
_reflns.limit_l_max                   . 
_reflns.limit_l_min                   . 
_reflns.observed_criterion_F_max      . 
_reflns.observed_criterion_F_min      . 
_reflns.pdbx_chi_squared              . 
_reflns.pdbx_scaling_rejects          . 
_reflns.pdbx_ordinal                  1 
_reflns.pdbx_diffrn_id                1 
#
_reflns_shell.d_res_high              2.1 
_reflns_shell.d_res_low               2.25 
_reflns_shell.percent_possible_all    47 
_reflns_shell.Rmerge_I_obs            0.18 
_reflns_shell.pdbx_Rsym_value         . 
_reflns_shell.meanI_over_sigI_obs     2.4000000000000004 
_reflns_shell.pdbx_redundancy         2.5 
_reflns_shell.percent_possible_obs    . 
_reflns_shell.number_unique_all       . 
_reflns_shell.number_measured_all     . 
_reflns_shell.number_measured_obs     . 
_reflns_shell.number_unique_obs       . 
_reflns_shell.pdbx_chi_squared        . 
_reflns_shell.pdbx_ordinal            1 
_reflns_shell.pdbx_diffrn_id          1 
#
_refine.entry_id                                  1A2C 
_refine.ls_number_reflns_obs                      15999 
_refine.ls_number_reflns_all                      . 
_refine.pdbx_ls_sigma_I                           . 
_refine.pdbx_ls_sigma_F                           2 
_refine.pdbx_data_cutoff_high_absF                . 
_refine.pdbx_data_cutoff_low_absF                 . 
_refine.pdbx_data_cutoff_high_rms_absF            . 
_refine.ls_d_res_low                              7 
_refine.ls_d_res_high                             2.1 
_refine.ls_percent_reflns_obs                     70 
_refine.ls_R_factor_obs                           . 
_refine.ls_R_factor_all                           . 
_refine.ls_R_factor_R_work                        0.15 
_refine.ls_R_factor_R_free                        . 
_refine.ls_R_factor_R_free_error                  . 
_refine.ls_R_factor_R_free_error_details          . 
_refine.ls_percent_reflns_R_free                  . 
_refine.ls_number_reflns_R_free                   . 
_refine.ls_number_parameters                      . 
_refine.ls_number_restraints                      . 
_refine.occupancy_min                             . 
_refine.occupancy_max                             . 
_refine.B_iso_mean                                31.5 
_refine.aniso_B[1][1]                             . 
_refine.aniso_B[2][2]                             . 
_refine.aniso_B[3][3]                             . 
_refine.aniso_B[1][2]                             . 
_refine.aniso_B[1][3]                             . 
_refine.aniso_B[2][3]                             . 
_refine.solvent_model_details                     . 
_refine.solvent_model_param_ksol                  . 
_refine.solvent_model_param_bsol                  . 
_refine.pdbx_ls_cross_valid_method                . 
_refine.details                                   . 
_refine.pdbx_starting_model                       'PDB ENTRY 1HGT' 
_refine.pdbx_method_to_determine_struct           'MOLECULAR REPLACEMENT' 
_refine.pdbx_isotropic_thermal_model              . 
_refine.pdbx_stereochemistry_target_values        . 
_refine.pdbx_stereochem_target_val_spec_case      . 
_refine.pdbx_R_Free_selection_details             . 
_refine.pdbx_overall_ESU_R_Free                   . 
_refine.overall_SU_ML                             . 
_refine.overall_SU_B                              . 
_refine.pdbx_refine_id                            'X-RAY DIFFRACTION' 
_refine.ls_redundancy_reflns_obs                  . 
_refine.pdbx_overall_phase_error                  . 
_refine.B_iso_min                                 . 
_refine.B_iso_max                                 . 
_refine.correlation_coeff_Fo_to_Fc                . 
_refine.correlation_coeff_Fo_to_Fc_free           . 
_refine.pdbx_solvent_vdw_probe_radii              . 
_refine.pdbx_solvent_ion_probe_radii              . 
_refine.pdbx_solvent_shrinkage_radii              . 
_refine.overall_SU_R_Cruickshank_DPI              . 
_refine.overall_SU_R_free                         . 
_refine.ls_wR_factor_R_free                       . 
_refine.ls_wR_factor_R_work                       . 
_refine.overall_FOM_free_R_set                    . 
_refine.overall_FOM_work_R_set                    . 
_refine.pdbx_overall_ESU_R                        . 
_refine.pdbx_diffrn_id                            1 
_refine.pdbx_TLS_residual_ADP_flag                . 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI    . 
_refine.pdbx_overall_SU_R_Blow_DPI                . 
_refine.pdbx_overall_SU_R_free_Blow_DPI           . 
#
_refine_hist.pdbx_refine_id                    'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                          LAST 
_refine_hist.pdbx_number_atoms_protein         2452 
_refine_hist.pdbx_number_atoms_nucleic_acid    0 
_refine_hist.pdbx_number_atoms_ligand          1 
_refine_hist.number_atoms_solvent              176 
_refine_hist.number_atoms_total                2629 
_refine_hist.d_res_high                        2.1 
_refine_hist.d_res_low                         7 
#
loop_
_refine_ls_restr.type
_refine_ls_restr.dev_ideal
_refine_ls_restr.dev_ideal_target
_refine_ls_restr.weight
_refine_ls_restr.number
_refine_ls_restr.pdbx_refine_id
_refine_ls_restr.pdbx_restraint_function
p_bond_d 0.018000000000000002 0.02 . . 'X-RAY DIFFRACTION' . 
p_angle_d 0.04 0.044 . . 'X-RAY DIFFRACTION' . 
p_angle_deg . . . . 'X-RAY DIFFRACTION' . 
p_planar_d 0.06 0.068 . . 'X-RAY DIFFRACTION' . 
p_hb_or_metal_coord . . . . 'X-RAY DIFFRACTION' . 
p_mcbond_it 1.3 1.5 . . 'X-RAY DIFFRACTION' . 
p_mcangle_it 2.14 2 . . 'X-RAY DIFFRACTION' . 
p_scbond_it 2.66 2.5 . . 'X-RAY DIFFRACTION' . 
p_scangle_it 3.8000000000000003 3 . . 'X-RAY DIFFRACTION' . 
p_plane_restr 0.036000000000000004 0.04 . . 'X-RAY DIFFRACTION' . 
p_chiral_restr 0.197 0.15 . . 'X-RAY DIFFRACTION' . 
p_singtor_nbd 0.25 0.6 . . 'X-RAY DIFFRACTION' . 
p_multtor_nbd 0.34500000000000003 0.6 . . 'X-RAY DIFFRACTION' . 
p_xhyhbond_nbd . . . . 'X-RAY DIFFRACTION' . 
p_xyhbond_nbd 0.323 0.6 . . 'X-RAY DIFFRACTION' . 
p_planar_tor 3.1 3 . . 'X-RAY DIFFRACTION' . 
p_staggered_tor 24 15 . . 'X-RAY DIFFRACTION' . 
p_orthonormal_tor . . . . 'X-RAY DIFFRACTION' . 
p_transverse_tor 31.900000000000002 20 . . 'X-RAY DIFFRACTION' . 
p_special_tor . . . . 'X-RAY DIFFRACTION' . 
#
_struct.entry_id           1A2C 
_struct.title              'Structure of thrombin inhibited by AERUGINOSIN298-A from a BLUE-GREEN ALGA' 
_struct.pdbx_descriptor    'Thrombin light and heavy chains (E.C.3.4.21.5), Hirudin variant-2' 
#
_struct_keywords.entry_id         1A2C 
_struct_keywords.text             'HYDROLASE,SERINE PROTEASE,Hydrolase-Hydrolase Inhibitor complex' 
_struct_keywords.pdbx_keywords    'Hydrolase/Hydrolase Inhibitor' 
#
loop_
_struct_asym.details
_struct_asym.entity_id
_struct_asym.id
_struct_asym.pdbx_modified
_struct_asym.pdbx_blank_PDB_chainid_flag
? 1 A N N 
? 2 B N N 
? 3 C N N 
? 4 D N N 
? 5 E N N 
? 6 F N N 
? 6 G N N 
? 6 H N N 
? 6 I N N 
#
_struct_biol.id         1 
_struct_biol.details    . 
#
loop_
_struct_conf.conf_type_id
_struct_conf.id
_struct_conf.beg_label_comp_id
_struct_conf.beg_label_seq_id
_struct_conf.pdbx_beg_PDB_ins_code
_struct_conf.beg_label_asym_id
_struct_conf.beg_label_entity_id
_struct_conf.beg_auth_comp_id
_struct_conf.beg_auth_seq_id
_struct_conf.beg_auth_asym_id
_struct_conf.end_label_comp_id
_struct_conf.end_label_seq_id
_struct_conf.pdbx_end_PDB_ins_code
_struct_conf.end_label_asym_id
_struct_conf.end_label_entity_id
_struct_conf.end_auth_comp_id
_struct_conf.end_auth_seq_id
_struct_conf.end_auth_asym_id
_struct_conf.pdbx_PDB_helix_class
_struct_conf.details
_struct_conf.pdbx_PDB_helix_length
helx_p helx_p1 GLU 16 . A 1 GLU 8 L LYS 18 . A 1 LYS 10 L 5 ? 3 
helx_p helx_p2 GLU 25 C A 1 GLU 14 L SER 31 I A 1 SER 14 L 1 ? 7 
helx_p helx_p3 ALA 42 . B 2 ALA 56 H CYS 44 . B 2 CYS 58 H 5 ? 3 
helx_p helx_p4 PRO 48 B B 2 PRO 60 H TRP 50 D B 2 TRP 60 H 5 ? 3 
helx_p helx_p5 GLU 56 . B 2 GLU 61 H ASP 58 . B 2 ASP 63 H 5 ? 3 
helx_p helx_p6 ARG 123 . B 2 ARG 126 H LEU 129 C B 2 LEU 129 H 1 ? 7 
helx_p helx_p7 ARG 170 . B 2 ARG 165 H SER 176 . B 2 SER 171 H 1 ? 7 
helx_p helx_p8 PHE 244 . B 2 PHE 232 H PHE 257 . B 2 PHE 245 H 5 ? 14 
#
_struct_conf_type.id           HELX_P 
_struct_conf_type.criteria     . 
_struct_conf_type.reference    . 
#
loop_
_struct_conn.conn_type_id
_struct_conn.details
_struct_conn.id
_struct_conn.ptnr1_label_asym_id
_struct_conn.ptnr1_label_atom_id
_struct_conn.ptnr1_label_comp_id
_struct_conn.ptnr1_label_seq_id
_struct_conn.ptnr1_auth_asym_id
_struct_conn.ptnr1_auth_comp_id
_struct_conn.ptnr1_auth_seq_id
_struct_conn.ptnr1_symmetry
_struct_conn.ptnr2_label_asym_id
_struct_conn.ptnr2_label_atom_id
_struct_conn.ptnr2_label_comp_id
_struct_conn.ptnr2_label_seq_id
_struct_conn.ptnr2_auth_asym_id
_struct_conn.ptnr2_auth_comp_id
_struct_conn.ptnr2_auth_seq_id
_struct_conn.ptnr2_symmetry
_struct_conn.pdbx_ptnr1_PDB_ins_code
_struct_conn.pdbx_ptnr1_label_alt_id
_struct_conn.pdbx_ptnr1_standard_comp_id
_struct_conn.pdbx_ptnr2_PDB_ins_code
_struct_conn.pdbx_ptnr2_label_alt_id
_struct_conn.pdbx_ptnr3_PDB_ins_code
_struct_conn.pdbx_ptnr3_label_alt_id
_struct_conn.pdbx_ptnr3_label_asym_id
_struct_conn.pdbx_ptnr3_label_atom_id
_struct_conn.pdbx_ptnr3_label_comp_id
_struct_conn.pdbx_ptnr3_label_seq_id
_struct_conn.pdbx_PDB_id
_struct_conn.pdbx_dist_value
_struct_conn.pdbx_value_order
disulf ? disulf1 A SG CYS 9 L CYS 1 1_555 B SG CYS 119 H CYS 122 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.006 ? 
disulf ? disulf2 B SG CYS 28 H CYS 42 1_555 B SG CYS 44 H CYS 58 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.203 ? 
disulf ? disulf3 B SG CYS 173 H CYS 168 1_555 B SG CYS 187 H CYS 182 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.992 ? 
disulf ? disulf4 B SG CYS 201 H CYS 191 1_555 B SG CYS 231 H CYS 220 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.013 ? 
covale ? covale1 C N TYS 11 I TYS 363 1_555 C C GLU 10 I GLU 362 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.334 ? 
covale ? covale2 C C TYS 11 I TYS 363 1_555 C N LEU 12 I LEU 364 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.293 ? 
metalc ? metalc1 E NA NA . H NA 626 1_555 B O LYS 236 H LYS 224 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.335 ? 
metalc ? metalc2 E NA NA . H NA 626 1_555 B O ARG 233 H ARG 221 1_555 ? ? ? A ? ? ? ? ? ? ? ? 2.565 ? 
metalc ? metalc3 E NA NA . H NA 626 1_555 G O HOH . H HOH 503 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.929 ? 
covale ? covale3 D C LEU 2 J LEU 2 1_555 D N PRJ 3 J PRJ 3 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.335 ? 
covale ? covale4 D C1 34H 1 J 34H 1 1_555 D N LEU 2 J LEU 2 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.325 ? 
covale ? covale5 D C PRJ 3 J PRJ 3 1_555 D N1 OAR 4 J OAR 4 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.335 ? 
#
loop_
_struct_conn_type.criteria
_struct_conn_type.id
_struct_conn_type.reference
? disulf ? 
? covale ? 
? metalc ? 
#
_struct_mon_prot_cis.pdbx_id                 1 
_struct_mon_prot_cis.label_comp_id           SER 
_struct_mon_prot_cis.label_seq_id            22 
_struct_mon_prot_cis.label_asym_id           B 
_struct_mon_prot_cis.label_alt_id            . 
_struct_mon_prot_cis.pdbx_PDB_ins_code       A 
_struct_mon_prot_cis.auth_comp_id            SER 
_struct_mon_prot_cis.auth_seq_id             36 
_struct_mon_prot_cis.auth_asym_id            H 
_struct_mon_prot_cis.pdbx_label_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2     23 
_struct_mon_prot_cis.pdbx_label_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2     . 
_struct_mon_prot_cis.pdbx_auth_comp_id_2     PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2      37 
_struct_mon_prot_cis.pdbx_auth_asym_id_2     H 
_struct_mon_prot_cis.pdbx_PDB_model_num      1 
_struct_mon_prot_cis.pdbx_omega_angle        -2.16 
#
loop_
_struct_sheet.id
_struct_sheet.type
_struct_sheet.number_strands
_struct_sheet.details
A . 4 . 
B . 3 . 
C . 2 . 
D . 4 . 
#
loop_
_struct_sheet_order.sheet_id
_struct_sheet_order.range_id_1
_struct_sheet_order.range_id_2
_struct_sheet_order.offset
_struct_sheet_order.sense
A 1 2 . anti-parallel 
A 2 3 . anti-parallel 
A 3 4 . anti-parallel 
B 1 2 . anti-parallel 
B 2 3 . anti-parallel 
C 1 2 . anti-parallel 
D 1 2 . anti-parallel 
D 2 3 . anti-parallel 
D 3 4 . anti-parallel 
#
loop_
_struct_sheet_range.sheet_id
_struct_sheet_range.id
_struct_sheet_range.beg_label_comp_id
_struct_sheet_range.beg_label_seq_id
_struct_sheet_range.pdbx_beg_PDB_ins_code
_struct_sheet_range.beg_label_asym_id
_struct_sheet_range.beg_label_entity_id
_struct_sheet_range.beg_auth_comp_id
_struct_sheet_range.beg_auth_seq_id
_struct_sheet_range.beg_auth_asym_id
_struct_sheet_range.end_label_comp_id
_struct_sheet_range.end_label_seq_id
_struct_sheet_range.pdbx_end_PDB_ins_code
_struct_sheet_range.end_label_asym_id
_struct_sheet_range.end_label_entity_id
_struct_sheet_range.end_auth_comp_id
_struct_sheet_range.end_auth_seq_id
_struct_sheet_range.end_auth_asym_id
_struct_sheet_range.symmetry
A 1 GLN 15 . B 2 GLN 30 H ARG 20 . B 2 ARG 35 H ? 
A 2 GLU 25 . B 2 GLU 39 H SER 31 . B 2 SER 45 H ? 
A 3 LEU 59 . B 2 LEU 64 H ILE 63 . B 2 ILE 68 H ? 
A 4 LYS 77 . B 2 LYS 81 H SER 79 . B 2 SER 83 H ? 
B 5 TRP 37 . B 2 TRP 51 H THR 40 . B 2 THR 54 H ? 
B 6 LEU 81 . B 2 LEU 85 H ILE 86 . B 2 ILE 90 H ? 
B 7 ALA 101 . B 2 ALA 104 H LEU 105 . B 2 LEU 108 H ? 
C 8 LYS 135 . B 2 LYS 135 H GLY 140 . B 2 GLY 140 H ? 
C 9 GLN 161 . B 2 GLN 156 H PRO 166 . B 2 PRO 161 H ? 
D 10 MET 185 . B 2 MET 180 H ALA 188 . B 2 ALA 183 H ? 
D 11 PRO 208 . B 2 PRO 198 H LYS 212 . B 2 LYS 202 H ? 
D 12 TRP 219 . B 2 TRP 207 H TRP 227 . B 2 TRP 215 H ? 
D 13 GLY 238 . B 2 GLY 226 H HIS 242 . B 2 HIS 230 H ? 
#
loop_
_pdbx_struct_sheet_hbond.sheet_id
_pdbx_struct_sheet_hbond.range_id_1
_pdbx_struct_sheet_hbond.range_id_2
_pdbx_struct_sheet_hbond.range_1_label_atom_id
_pdbx_struct_sheet_hbond.range_1_label_comp_id
_pdbx_struct_sheet_hbond.range_1_label_asym_id
_pdbx_struct_sheet_hbond.range_1_label_seq_id
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code
_pdbx_struct_sheet_hbond.range_1_auth_atom_id
_pdbx_struct_sheet_hbond.range_1_auth_comp_id
_pdbx_struct_sheet_hbond.range_1_auth_asym_id
_pdbx_struct_sheet_hbond.range_1_auth_seq_id
_pdbx_struct_sheet_hbond.range_2_label_atom_id
_pdbx_struct_sheet_hbond.range_2_label_comp_id
_pdbx_struct_sheet_hbond.range_2_label_asym_id
_pdbx_struct_sheet_hbond.range_2_label_seq_id
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code
_pdbx_struct_sheet_hbond.range_2_auth_atom_id
_pdbx_struct_sheet_hbond.range_2_auth_comp_id
_pdbx_struct_sheet_hbond.range_2_auth_asym_id
_pdbx_struct_sheet_hbond.range_2_auth_seq_id
A 1 2 O LYS B 77 . O LYS H 81 N ILE B 63 . N ILE H 68 
A 2 3 O LEU B 60 . O LEU H 65 N PHE B 19 . N PHE H 34 
A 3 4 O VAL B 16 . O VAL H 31 N ALA B 30 . N ALA H 44 
B 1 2 O VAL B 38 . O VAL H 52 N MET B 103 . N MET H 106 
B 2 3 O LEU B 102 . O LEU H 105 N TYR B 85 . N TYR H 89 
C 1 2 O GLY B 136 . O GLY H 136 N LEU B 165 . N LEU H 160 
D 1 2 O PHE B 186 . O PHE H 181 N TYR B 240 . N TYR H 228 
D 2 3 O PHE B 239 . O PHE H 227 N TRP B 227 . N TRP H 215 
D 3 4 O TYR B 220 . O TYR H 208 N MET B 211 . N MET H 201 
#
loop_
_struct_site.details
_struct_site.id
_struct_site.pdbx_num_residues
_struct_site.pdbx_evidence_code
_struct_site.pdbx_auth_asym_id
_struct_site.pdbx_auth_comp_id
_struct_site.pdbx_auth_seq_id
_struct_site.pdbx_auth_ins_code
'BINDING SITE FOR RESIDUE NA H 626' AC1 3 Software ? ? ? ? 
'BINDING SITE FOR CHAIN I OF HIRUDIN VARIANT-2' AC2 14 Software ? ? ? ? 
'BINDING SITE FOR CHAIN J OF AERUGINOSIN 298-A' AC3 16 Software ? ? ? ? 
#
loop_
_struct_site_gen.details
_struct_site_gen.id
_struct_site_gen.label_alt_id
_struct_site_gen.label_asym_id
_struct_site_gen.label_atom_id
_struct_site_gen.label_comp_id
_struct_site_gen.label_seq_id
_struct_site_gen.auth_asym_id
_struct_site_gen.auth_comp_id
_struct_site_gen.auth_seq_id
_struct_site_gen.site_id
_struct_site_gen.symmetry
_struct_site_gen.pdbx_auth_ins_code
_struct_site_gen.pdbx_num_res
? 1 ? B . ARG 233 H ARG 221 AC1 1_555 A 3 
? 2 ? B . LYS 236 H LYS 224 AC1 1_555 ? 3 
? 3 ? G . HOH . H HOH 503 AC1 1_555 ? 3 
? 4 ? B . PHE 19 H PHE 34 AC2 1_555 ? 14 
? 5 ? B . GLN 24 H GLN 38 AC2 1_555 ? 14 
? 6 ? B . LEU 60 H LEU 65 AC2 1_555 ? 14 
? 7 ? B . ARG 68 H ARG 73 AC2 1_555 ? 14 
? 8 ? B . THR 69 H THR 74 AC2 1_555 ? 14 
? 9 ? B . ARG 70 H ARG 75 AC2 1_555 ? 14 
? 10 ? B . TYR 71 H TYR 76 AC2 1_555 ? 14 
? 11 ? B . LYS 77 H LYS 81 AC2 1_555 ? 14 
? 12 ? B . ILE 78 H ILE 82 AC2 1_555 ? 14 
? 13 ? B . SER 158 H SER 153 AC2 2_555 ? 14 
? 14 ? G . HOH . H HOH 574 AC2 2_555 ? 14 
? 15 ? G . HOH . H HOH 615 AC2 1_555 ? 14 
? 16 ? H . HOH . I HOH 491 AC2 1_555 ? 14 
? 17 ? H . HOH . I HOH 553 AC2 1_555 ? 14 
? 18 ? B . HIS 43 H HIS 57 AC3 1_555 ? 16 
? 19 ? B . TYR 47 H TYR 60 AC3 1_555 A 16 
? 20 ? B . TRP 50 H TRP 60 AC3 1_555 D 16 
? 21 ? B . ASP 199 H ASP 189 AC3 1_555 ? 16 
? 22 ? B . ALA 200 H ALA 190 AC3 1_555 ? 16 
? 23 ? B . CYS 201 H CYS 191 AC3 1_555 ? 16 
? 24 ? B . SER 205 H SER 195 AC3 1_555 ? 16 
? 25 ? B . SER 226 H SER 214 AC3 1_555 ? 16 
? 26 ? B . TRP 227 H TRP 215 AC3 1_555 ? 16 
? 27 ? B . GLY 228 H GLY 216 AC3 1_555 ? 16 
? 28 ? B . GLU 229 H GLU 217 AC3 1_555 ? 16 
? 29 ? B . GLY 230 H GLY 219 AC3 1_555 ? 16 
? 30 ? B . ARG 233 H ARG 221 AC3 1_555 A 16 
? 31 ? B . GLY 238 H GLY 226 AC3 1_555 ? 16 
? 32 ? G . HOH . H HOH 450 AC3 1_555 ? 16 
? 33 ? I . HOH . J HOH 462 AC3 1_555 ? 16 
#
_database_PDB_matrix.entry_id           1A2C 
_database_PDB_matrix.origx[1][1]        1 
_database_PDB_matrix.origx[1][2]        0 
_database_PDB_matrix.origx[1][3]        0 
_database_PDB_matrix.origx[2][1]        0 
_database_PDB_matrix.origx[2][2]        1 
_database_PDB_matrix.origx[2][3]        0 
_database_PDB_matrix.origx[3][1]        0 
_database_PDB_matrix.origx[3][2]        0 
_database_PDB_matrix.origx[3][3]        1 
_database_PDB_matrix.origx_vector[1]    0 
_database_PDB_matrix.origx_vector[2]    0 
_database_PDB_matrix.origx_vector[3]    0 
#
_atom_sites.entry_id                     1A2C 
_atom_sites.fract_transf_matrix[1][1]    0.013895 
_atom_sites.fract_transf_matrix[1][2]    0 
_atom_sites.fract_transf_matrix[1][3]    0.002683 
_atom_sites.fract_transf_matrix[2][1]    0 
_atom_sites.fract_transf_matrix[2][2]    0.013797 
_atom_sites.fract_transf_matrix[2][3]    0 
_atom_sites.fract_transf_matrix[3][1]    0 
_atom_sites.fract_transf_matrix[3][2]    0 
_atom_sites.fract_transf_matrix[3][3]    0.014098 
_atom_sites.fract_transf_vector[1]       0 
_atom_sites.fract_transf_vector[2]       0 
_atom_sites.fract_transf_vector[3]       0 
#
loop_
_atom_type.symbol
C 
N 
NA 
O 
S 
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_comp_id
_atom_site.label_seq_id
_atom_site.label_alt_id
_atom_site.pdbx_PDB_ins_code
_atom_site.label_asym_id
_atom_site.label_entity_id
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.B_iso_or_equiv
_atom_site.pdbx_formal_charge
_atom_site.auth_atom_id
_atom_site.auth_comp_id
_atom_site.auth_seq_id
_atom_site.auth_asym_id
_atom_site.pdbx_PDB_model_num
ATOM 1 N N THR 1 . H A 1 18.623 12.307 19.412 1 50 ? N THR 1 L 1 
ATOM 2 C CA THR 1 . H A 1 20.041 12.712 19.207 1 50 ? CA THR 1 L 1 
ATOM 3 C C THR 1 . H A 1 20.571 12.573 20.629 1 50 ? C THR 1 L 1 
ATOM 4 O O THR 1 . H A 1 20.073 11.685 21.378 1 50 ? O THR 1 L 1 
ATOM 5 C CB THR 1 . H A 1 20.102 14.126 18.558 1 50 ? CB THR 1 L 1 
ATOM 6 O OG1 THR 1 . H A 1 18.827 14.389 17.843 1 50 ? OG1 THR 1 L 1 
ATOM 7 C CG2 THR 1 . H A 1 21.263 14.373 17.59 1 50 ? CG2 THR 1 L 1 
ATOM 8 N N PHE 2 . G A 1 21.378 13.504 21.058 1 50 ? N PHE 1 L 1 
ATOM 9 C CA PHE 2 . G A 1 21.935 13.569 22.426 1 50 ? CA PHE 1 L 1 
ATOM 10 C C PHE 2 . G A 1 20.897 13.862 23.525 1 50 ? C PHE 1 L 1 
ATOM 11 O O PHE 2 . G A 1 19.694 13.568 23.537 1 50 ? O PHE 1 L 1 
ATOM 12 C CB PHE 2 . G A 1 22.891 14.812 22.371 1 50 ? CB PHE 1 L 1 
ATOM 13 C CG PHE 2 . G A 1 21.946 15.954 22.007 1 50 ? CG PHE 1 L 1 
ATOM 14 C CD1 PHE 2 . G A 1 21.497 16.061 20.69 1 50 ? CD1 PHE 1 L 1 
ATOM 15 C CD2 PHE 2 . G A 1 21.388 16.717 23.038 1 50 ? CD2 PHE 1 L 1 
ATOM 16 C CE1 PHE 2 . G A 1 20.53 17.023 20.379 1 50 ? CE1 PHE 1 L 1 
ATOM 17 C CE2 PHE 2 . G A 1 20.44 17.688 22.743 1 50 ? CE2 PHE 1 L 1 
ATOM 18 C CZ PHE 2 . G A 1 20.007 17.819 21.422 1 50 ? CZ PHE 1 L 1 
ATOM 19 N N GLY 3 . F A 1 21.437 14.689 24.438 1 50 ? N GLY 1 L 1 
ATOM 20 C CA GLY 3 . F A 1 20.688 15.16 25.621 1 50 ? CA GLY 1 L 1 
ATOM 21 C C GLY 3 . F A 1 19.196 15.046 25.295 1 50 ? C GLY 1 L 1 
ATOM 22 O O GLY 3 . F A 1 18.836 15.838 24.394 1 50 ? O GLY 1 L 1 
ATOM 23 N N SER 4 . E A 1 18.507 14.088 25.873 1 50 ? N SER 1 L 1 
ATOM 24 C CA SER 4 . E A 1 17.067 13.874 25.698 1 50 ? CA SER 1 L 1 
ATOM 25 C C SER 4 . E A 1 16.581 14.235 24.291 1 50 ? C SER 1 L 1 
ATOM 26 O O SER 4 . E A 1 16.059 15.36 24.045 1 50 ? O SER 1 L 1 
ATOM 27 C CB SER 4 . E A 1 16.181 14.567 26.722 1 49.45 ? CB SER 1 L 1 
ATOM 28 O OG SER 4 . E A 1 14.86 14.692 26.241 1 49.27 ? OG SER 1 L 1 
ATOM 29 N N GLY 5 . D A 1 16.786 13.215 23.459 1 50 ? N GLY 1 L 1 
ATOM 30 C CA GLY 5 . D A 1 16.489 13.196 22.046 1 50 ? CA GLY 1 L 1 
ATOM 31 C C GLY 5 . D A 1 16.599 14.597 21.433 1 50 ? C GLY 1 L 1 
ATOM 32 O O GLY 5 . D A 1 17.396 15.496 21.809 1 50 ? O GLY 1 L 1 
ATOM 33 N N GLU 6 . C A 1 15.671 14.79 20.485 1 50 ? N GLU 1 L 1 
ATOM 34 C CA GLU 6 . C A 1 15.599 15.993 19.637 1 50 ? CA GLU 1 L 1 
ATOM 35 C C GLU 6 . C A 1 15.17 17.363 20.146 1 50 ? C GLU 1 L 1 
ATOM 36 O O GLU 6 . C A 1 15.544 17.922 21.212 1 50 ? O GLU 1 L 1 
ATOM 37 C CB GLU 6 . C A 1 14.728 15.62 18.397 1 50 ? CB GLU 1 L 1 
ATOM 38 C CG GLU 6 . C A 1 14.156 16.803 17.618 1 50 ? CG GLU 1 L 1 
ATOM 39 C CD GLU 6 . C A 1 14.353 16.662 16.138 1 50 ? CD GLU 1 L 1 
ATOM 40 O OE1 GLU 6 . C A 1 15.178 15.897 15.664 1 50 ? OE1 GLU 1 L 1 
ATOM 41 O OE2 GLU 6 . C A 1 13.535 17.405 15.537 1 50 ? OE2 GLU 1 L 1 
ATOM 42 N N ALA 7 . B A 1 14.56 18.049 19.182 1 48.03 ? N ALA 1 L 1 
ATOM 43 C CA ALA 7 . B A 1 14.071 19.427 19.189 1 44.8 ? CA ALA 1 L 1 
ATOM 44 C C ALA 7 . B A 1 12.569 19.378 19.396 1 42.77 ? C ALA 1 L 1 
ATOM 45 O O ALA 7 . B A 1 11.975 19.764 20.416 1 42.2 ? O ALA 1 L 1 
ATOM 46 C CB ALA 7 . B A 1 14.57 20.011 17.861 1 44.84 ? CB ALA 1 L 1 
ATOM 47 N N ASP 8 . A A 1 11.976 18.696 18.413 1 40.78 ? N ASP 1 L 1 
ATOM 48 C CA ASP 8 . A A 1 10.532 18.432 18.459 1 37.75 ? CA ASP 1 L 1 
ATOM 49 C C ASP 8 . A A 1 10.287 16.96 18.862 1 33.42 ? C ASP 1 L 1 
ATOM 50 O O ASP 8 . A A 1 9.228 16.391 18.565 1 31.81 ? O ASP 1 L 1 
ATOM 51 C CB ASP 8 . A A 1 9.868 18.79 17.109 1 44.67 ? CB ASP 1 L 1 
ATOM 52 C CG ASP 8 . A A 1 8.41 19.088 17.526 1 50 ? CG ASP 1 L 1 
ATOM 53 O OD1 ASP 8 . A A 1 8.426 19.359 18.772 1 50 ? OD1 ASP 1 L 1 
ATOM 54 O OD2 ASP 8 . A A 1 7.363 18.971 16.849 1 50 ? OD2 ASP 1 L 1 
ATOM 55 N N CYS 9 . . A 1 11.285 16.379 19.505 1 29.4 ? N CYS 1 L 1 
ATOM 56 C CA CYS 9 . . A 1 11.183 14.912 19.81 1 25.39 ? CA CYS 1 L 1 
ATOM 57 C C CYS 9 . . A 1 9.936 14.542 20.574 1 21.54 ? C CYS 1 L 1 
ATOM 58 O O CYS 9 . . A 1 9.476 15.34 21.372 1 20.45 ? O CYS 1 L 1 
ATOM 59 C CB CYS 9 . . A 1 12.44 14.315 20.451 1 23.95 ? CB CYS 1 L 1 
ATOM 60 S SG CYS 9 . . A 1 12.853 14.86 22.108 1 15.88 ? SG CYS 1 L 1 
ATOM 61 N N GLY 10 . . A 1 9.389 13.373 20.27 1 19.21 ? N GLY 2 L 1 
ATOM 62 C CA GLY 10 . . A 1 8.277 12.787 20.964 1 15.96 ? CA GLY 2 L 1 
ATOM 63 C C GLY 10 . . A 1 6.878 13.274 21.021 1 16.35 ? C GLY 2 L 1 
ATOM 64 O O GLY 10 . . A 1 6.044 12.755 21.818 1 16.14 ? O GLY 2 L 1 
ATOM 65 N N LEU 11 . . A 1 6.581 14.306 20.209 1 17.26 ? N LEU 3 L 1 
ATOM 66 C CA LEU 11 . . A 1 5.304 14.991 20.011 1 16.17 ? CA LEU 3 L 1 
ATOM 67 C C LEU 11 . . A 1 4.938 14.585 18.572 1 17.79 ? C LEU 3 L 1 
ATOM 68 O O LEU 11 . . A 1 5.75 14.7 17.621 1 16.42 ? O LEU 3 L 1 
ATOM 69 C CB LEU 11 . . A 1 5.428 16.504 20.157 1 14.99 ? CB LEU 3 L 1 
ATOM 70 C CG LEU 11 . . A 1 5.923 17.043 21.483 1 13.99 ? CG LEU 3 L 1 
ATOM 71 C CD1 LEU 11 . . A 1 6.286 18.535 21.388 1 14.84 ? CD1 LEU 3 L 1 
ATOM 72 C CD2 LEU 11 . . A 1 4.865 16.762 22.53 1 13.44 ? CD2 LEU 3 L 1 
ATOM 73 N N ARG 12 . . A 1 4.002 13.628 18.662 1 18.9 ? N ARG 4 L 1 
ATOM 74 C CA ARG 12 . . A 1 3.503 12.998 17.432 1 18.78 ? CA ARG 4 L 1 
ATOM 75 C C ARG 12 . . A 1 2.535 13.938 16.703 1 19 ? C ARG 4 L 1 
ATOM 76 O O ARG 12 . . A 1 1.512 14.293 17.354 1 17.3 ? O ARG 4 L 1 
ATOM 77 C CB ARG 12 . . A 1 2.657 11.719 17.826 1 18.8 ? CB ARG 4 L 1 
ATOM 78 C CG ARG 12 . . A 1 3.647 10.55 18.173 1 13.66 ? CG ARG 4 L 1 
ATOM 79 C CD ARG 12 . . A 1 2.939 9.593 19.091 1 12.82 ? CD ARG 4 L 1 
ATOM 80 N NE ARG 12 . . A 1 1.908 10.015 19.989 1 10 ? NE ARG 4 L 1 
ATOM 81 C CZ ARG 12 . . A 1 0.989 9.194 20.466 1 11.6 ? CZ ARG 4 L 1 
ATOM 82 N NH1 ARG 12 . . A 1 0.94 7.892 20.137 1 14.88 ? NH1 ARG 4 L 1 
ATOM 83 N NH2 ARG 12 . . A 1 0.144 9.464 21.461 1 10 ? NH2 ARG 4 L 1 
ATOM 84 N N PRO 13 . . A 1 2.752 14.048 15.417 1 19.41 ? N PRO 5 L 1 
ATOM 85 C CA PRO 13 . . A 1 1.964 14.965 14.591 1 20.61 ? CA PRO 5 L 1 
ATOM 86 C C PRO 13 . . A 1 0.512 14.691 14.657 1 23.38 ? C PRO 5 L 1 
ATOM 87 O O PRO 13 . . A 1 -0.272 15.622 14.94 1 26.53 ? O PRO 5 L 1 
ATOM 88 C CB PRO 13 . . A 1 2.581 14.939 13.21 1 19.74 ? CB PRO 5 L 1 
ATOM 89 C CG PRO 13 . . A 1 3.973 14.345 13.329 1 19.92 ? CG PRO 5 L 1 
ATOM 90 C CD PRO 13 . . A 1 3.992 13.659 14.718 1 19.98 ? CD PRO 5 L 1 
ATOM 91 N N LEU 14 . . A 1 0.124 13.433 14.805 1 25.11 ? N LEU 6 L 1 
ATOM 92 C CA LEU 14 . . A 1 -1.271 13.014 14.763 1 24.01 ? CA LEU 6 L 1 
ATOM 93 C C LEU 14 . . A 1 -1.925 12.791 16.124 1 24.84 ? C LEU 6 L 1 
ATOM 94 O O LEU 14 . . A 1 -3.083 12.367 16.205 1 26.69 ? O LEU 6 L 1 
ATOM 95 C CB LEU 14 . . A 1 -1.414 11.795 13.868 1 22.73 ? CB LEU 6 L 1 
ATOM 96 C CG LEU 14 . . A 1 -1.991 11.963 12.468 1 24.31 ? CG LEU 6 L 1 
ATOM 97 C CD1 LEU 14 . . A 1 -1.467 13.181 11.722 1 25.65 ? CD1 LEU 6 L 1 
ATOM 98 C CD2 LEU 14 . . A 1 -1.655 10.755 11.576 1 26.67 ? CD2 LEU 6 L 1 
ATOM 99 N N PHE 15 . . A 1 -1.24 13.095 17.206 1 24.95 ? N PHE 7 L 1 
ATOM 100 C CA PHE 15 . . A 1 -1.867 12.918 18.529 1 24.49 ? CA PHE 7 L 1 
ATOM 101 C C PHE 15 . . A 1 -1.627 14.15 19.426 1 26.24 ? C PHE 7 L 1 
ATOM 102 O O PHE 15 . . A 1 -2.539 14.96 19.653 1 26.9 ? O PHE 7 L 1 
ATOM 103 C CB PHE 15 . . A 1 -1.373 11.617 19.161 1 19.78 ? CB PHE 7 L 1 
ATOM 104 C CG PHE 15 . . A 1 -1.836 10.387 18.364 1 21.41 ? CG PHE 7 L 1 
ATOM 105 C CD1 PHE 15 . . A 1 -3.117 9.847 18.569 1 19.49 ? CD1 PHE 7 L 1 
ATOM 106 C CD2 PHE 15 . . A 1 -0.984 9.805 17.418 1 15.33 ? CD2 PHE 7 L 1 
ATOM 107 C CE1 PHE 15 . . A 1 -3.536 8.727 17.841 1 19.8 ? CE1 PHE 7 L 1 
ATOM 108 C CE2 PHE 15 . . A 1 -1.405 8.686 16.687 1 17.93 ? CE2 PHE 7 L 1 
ATOM 109 C CZ PHE 15 . . A 1 -2.679 8.147 16.9 1 17.88 ? CZ PHE 7 L 1 
ATOM 110 N N GLU 16 . . A 1 -0.41 14.27 19.924 1 26.47 ? N GLU 8 L 1 
ATOM 111 C CA GLU 16 . . A 1 -0.008 15.382 20.818 1 24.04 ? CA GLU 8 L 1 
ATOM 112 C C GLU 16 . . A 1 -0.258 16.74 20.152 1 24.15 ? C GLU 8 L 1 
ATOM 113 O O GLU 16 . . A 1 -0.91 17.539 20.816 1 24.64 ? O GLU 8 L 1 
ATOM 114 C CB GLU 16 . . A 1 1.489 15.291 21.122 1 18.46 ? CB GLU 8 L 1 
ATOM 115 C CG GLU 16 . . A 1 1.806 14.399 22.321 1 20.93 ? CG GLU 8 L 1 
ATOM 116 C CD GLU 16 . . A 1 1.661 12.911 22.01 1 16.53 ? CD GLU 8 L 1 
ATOM 117 O OE1 GLU 16 . . A 1 2.133 12.44 20.91 1 16.87 ? OE1 GLU 8 L 1 
ATOM 118 O OE2 GLU 16 . . A 1 1.066 12.128 22.844 1 20.42 ? OE2 GLU 8 L 1 
ATOM 119 N N LYS 17 . . A 1 0.346 16.94 19.022 1 23.76 ? N LYS 9 L 1 
ATOM 120 C CA LYS 17 . . A 1 0.283 18.117 18.179 1 24.53 ? CA LYS 9 L 1 
ATOM 121 C C LYS 17 . . A 1 -1.115 18.555 17.795 1 25.76 ? C LYS 9 L 1 
ATOM 122 O O LYS 17 . . A 1 -1.372 19.739 17.487 1 26.98 ? O LYS 9 L 1 
ATOM 123 C CB LYS 17 . . A 1 1.189 17.946 16.959 1 22.97 ? CB LYS 9 L 1 
ATOM 124 C CG LYS 17 . . A 1 2.647 18.237 17.43 1 25.52 ? CG LYS 9 L 1 
ATOM 125 C CD LYS 17 . . A 1 3.697 17.505 16.639 1 26.62 ? CD LYS 9 L 1 
ATOM 126 C CE LYS 17 . . A 1 4.884 18.395 16.27 1 26.08 ? CE LYS 9 L 1 
ATOM 127 N NZ LYS 17 . . A 1 5.277 17.998 14.851 1 28.06 ? NZ LYS 9 L 1 
ATOM 128 N N LYS 18 . . A 1 -2.095 17.691 18.006 1 25.44 ? N LYS 10 L 1 
ATOM 129 C CA LYS 18 . . A 1 -3.457 18.015 17.599 1 26.67 ? CA LYS 10 L 1 
ATOM 130 C C LYS 18 . . A 1 -4.368 17.863 18.808 1 25.78 ? C LYS 10 L 1 
ATOM 131 O O LYS 18 . . A 1 -5.536 18.099 18.591 1 26.1 ? O LYS 10 L 1 
ATOM 132 C CB LYS 18 . . A 1 -4.096 17.062 16.632 1 27.62 ? CB LYS 10 L 1 
ATOM 133 C CG LYS 18 . . A 1 -3.559 17.146 15.201 1 30.62 ? CG LYS 10 L 1 
ATOM 134 C CD LYS 18 . . A 1 -4.569 16.327 14.4 1 31.58 ? CD LYS 10 L 1 
ATOM 135 C CE LYS 18 . . A 1 -4.351 16.32 12.893 1 32.62 ? CE LYS 10 L 1 
ATOM 136 N NZ LYS 18 . . A 1 -5.7 15.76 12.475 1 35.51 ? NZ LYS 10 L 1 
ATOM 137 N N SER 19 . . A 1 -3.705 17.439 19.835 1 25.29 ? N SER 11 L 1 
ATOM 138 C CA SER 19 . . A 1 -4.342 17.226 21.147 1 25.28 ? CA SER 11 L 1 
ATOM 139 C C SER 19 . . A 1 -5.348 16.096 21.14 1 25.84 ? C SER 11 L 1 
ATOM 140 O O SER 19 . . A 1 -6.427 16.024 21.8 1 26.13 ? O SER 11 L 1 
ATOM 141 C CB SER 19 . . A 1 -4.685 18.582 21.748 1 26.23 ? CB SER 11 L 1 
ATOM 142 O OG SER 19 . . A 1 -5.594 18.364 22.789 1 26.32 ? OG SER 11 L 1 
ATOM 143 N N LEU 20 . . A 1 -4.89 15.016 20.448 1 24.99 ? N LEU 12 L 1 
ATOM 144 C CA LEU 20 . . A 1 -5.673 13.769 20.401 1 26.3 ? CA LEU 12 L 1 
ATOM 145 C C LEU 20 . . A 1 -4.892 12.668 21.143 1 27.01 ? C LEU 12 L 1 
ATOM 146 O O LEU 20 . . A 1 -3.699 12.656 20.83 1 27.34 ? O LEU 12 L 1 
ATOM 147 C CB LEU 20 . . A 1 -5.839 13.46 18.918 1 23.47 ? CB LEU 12 L 1 
ATOM 148 C CG LEU 20 . . A 1 -6.688 14.331 18.008 1 21.93 ? CG LEU 12 L 1 
ATOM 149 C CD1 LEU 20 . . A 1 -6.351 14.109 16.584 1 18.55 ? CD1 LEU 12 L 1 
ATOM 150 C CD2 LEU 20 . . A 1 -8.166 13.977 18.205 1 18.24 ? CD2 LEU 12 L 1 
ATOM 151 N N GLU 21 . . A 1 -5.524 11.775 21.89 1 28.08 ? N GLU 13 L 1 
ATOM 152 C CA GLU 21 . . A 1 -4.887 10.654 22.58 1 28.98 ? CA GLU 13 L 1 
ATOM 153 C C GLU 21 . . A 1 -5.046 9.338 21.803 1 28.7 ? C GLU 13 L 1 
ATOM 154 O O GLU 21 . . A 1 -6.148 9.305 21.211 1 29.47 ? O GLU 13 L 1 
ATOM 155 C CB GLU 21 . . A 1 -5.689 10.241 23.805 1 31.75 ? CB GLU 13 L 1 
ATOM 156 C CG GLU 21 . . A 1 -5.969 11.315 24.847 1 39.47 ? CG GLU 13 L 1 
ATOM 157 C CD GLU 21 . . A 1 -5.857 10.797 26.257 1 43.79 ? CD GLU 13 L 1 
ATOM 158 O OE1 GLU 21 . . A 1 -6.433 9.669 26.374 1 46.84 ? OE1 GLU 13 L 1 
ATOM 159 O OE2 GLU 21 . . A 1 -5.17 11.369 27.097 1 46.12 ? OE2 GLU 13 L 1 
ATOM 160 N N ASP 22 . . A 1 -4.139 8.383 21.846 1 27.27 ? N ASP 14 L 1 
ATOM 161 C CA ASP 22 . . A 1 -4.34 7.057 21.177 1 26.59 ? CA ASP 14 L 1 
ATOM 162 C C ASP 22 . . A 1 -5.143 6.207 22.189 1 26.1 ? C ASP 14 L 1 
ATOM 163 O O ASP 22 . . A 1 -5.353 6.626 23.354 1 24.54 ? O ASP 14 L 1 
ATOM 164 C CB ASP 22 . . A 1 -3.038 6.441 20.674 1 26.26 ? CB ASP 14 L 1 
ATOM 165 C CG ASP 22 . . A 1 -2.109 6.062 21.83 1 20.53 ? CG ASP 14 L 1 
ATOM 166 O OD1 ASP 22 . . A 1 -2.772 5.508 22.722 1 22.99 ? OD1 ASP 14 L 1 
ATOM 167 O OD2 ASP 22 . . A 1 -0.898 6.241 21.87 1 19.82 ? OD2 ASP 14 L 1 
ATOM 168 N N LYS 23 . A A 1 -5.732 5.122 21.704 1 26.41 ? N LYS 14 L 1 
ATOM 169 C CA LYS 23 . A A 1 -6.666 4.344 22.509 1 26.71 ? CA LYS 14 L 1 
ATOM 170 C C LYS 23 . A A 1 -6.061 3.772 23.761 1 25.9 ? C LYS 14 L 1 
ATOM 171 O O LYS 23 . A A 1 -6.935 3.596 24.656 1 26.78 ? O LYS 14 L 1 
ATOM 172 C CB LYS 23 . A A 1 -7.43 3.234 21.817 1 30.6 ? CB LYS 14 L 1 
ATOM 173 C CG LYS 23 . A A 1 -7.324 3.277 20.278 1 35.5 ? CG LYS 14 L 1 
ATOM 174 C CD LYS 23 . A A 1 -6.758 1.934 19.79 1 39.41 ? CD LYS 14 L 1 
ATOM 175 C CE LYS 23 . A A 1 -5.24 1.853 19.901 1 40.48 ? CE LYS 14 L 1 
ATOM 176 N NZ LYS 23 . A A 1 -4.65 0.688 19.197 1 41.68 ? NZ LYS 14 L 1 
ATOM 177 N N THR 24 . B A 1 -4.775 3.661 23.95 1 25.94 ? N THR 14 L 1 
ATOM 178 C CA THR 24 . B A 1 -4.388 3.039 25.28 1 27.81 ? CA THR 14 L 1 
ATOM 179 C C THR 24 . B A 1 -3.449 3.871 26.148 1 30.4 ? C THR 14 L 1 
ATOM 180 O O THR 24 . B A 1 -3.245 3.508 27.358 1 31.81 ? O THR 14 L 1 
ATOM 181 C CB THR 24 . B A 1 -3.922 1.54 25.163 1 21.93 ? CB THR 14 L 1 
ATOM 182 O OG1 THR 24 . B A 1 -2.785 1.488 24.26 1 19.33 ? OG1 THR 14 L 1 
ATOM 183 C CG2 THR 24 . B A 1 -4.993 0.626 24.566 1 19.66 ? CG2 THR 14 L 1 
ATOM 184 N N GLU 25 . C A 1 -2.879 4.932 25.578 1 30.96 ? N GLU 14 L 1 
ATOM 185 C CA GLU 25 . C A 1 -2.019 5.84 26.359 1 32.29 ? CA GLU 14 L 1 
ATOM 186 C C GLU 25 . C A 1 -2.513 5.971 27.796 1 33.02 ? C GLU 14 L 1 
ATOM 187 O O GLU 25 . C A 1 -1.691 6.096 28.705 1 33.06 ? O GLU 14 L 1 
ATOM 188 C CB GLU 25 . C A 1 -2.175 7.298 25.911 1 33.79 ? CB GLU 14 L 1 
ATOM 189 C CG GLU 25 . C A 1 -1.365 7.751 24.726 1 31.87 ? CG GLU 14 L 1 
ATOM 190 C CD GLU 25 . C A 1 -1.65 9.171 24.283 1 29.63 ? CD GLU 14 L 1 
ATOM 191 O OE1 GLU 25 . C A 1 -1.728 9.928 25.253 1 26.13 ? OE1 GLU 14 L 1 
ATOM 192 O OE2 GLU 25 . C A 1 -1.481 9.466 23.096 1 30.82 ? OE2 GLU 14 L 1 
ATOM 193 N N ARG 26 . D A 1 -3.882 6.203 27.933 1 33.98 ? N ARG 14 L 1 
ATOM 194 C CA ARG 26 . D A 1 -4.357 6.307 29.321 1 35.59 ? CA ARG 14 L 1 
ATOM 195 C C ARG 26 . D A 1 -3.614 5.307 30.206 1 35.5 ? C ARG 14 L 1 
ATOM 196 O O ARG 26 . D A 1 -3.482 5.508 31.421 1 37.62 ? O ARG 14 L 1 
ATOM 197 C CB ARG 26 . D A 1 -5.854 6.004 29.388 1 41.6 ? CB ARG 14 L 1 
ATOM 198 C CG ARG 26 . D A 1 -6.157 4.509 29.543 1 45.04 ? CG ARG 14 L 1 
ATOM 199 C CD ARG 26 . D A 1 -5.585 3.655 28.402 1 47.28 ? CD ARG 14 L 1 
ATOM 200 N NE ARG 26 . D A 1 -6.445 2.508 28.049 1 48.85 ? NE ARG 14 L 1 
ATOM 201 C CZ ARG 26 . D A 1 -6.009 1.237 27.917 1 50 ? CZ ARG 14 L 1 
ATOM 202 N NH1 ARG 26 . D A 1 -4.719 0.914 28.104 1 49.52 ? NH1 ARG 14 L 1 
ATOM 203 N NH2 ARG 26 . D A 1 -6.798 0.202 27.595 1 50 ? NH2 ARG 14 L 1 
ATOM 204 N N GLU 27 . E A 1 -3.652 4.035 29.668 1 33.1 ? N GLU 14 L 1 
ATOM 205 C CA GLU 27 . E A 1 -3.139 2.924 30.503 1 30.71 ? CA GLU 14 L 1 
ATOM 206 C C GLU 27 . E A 1 -1.815 3.317 31.161 1 27.29 ? C GLU 14 L 1 
ATOM 207 O O GLU 27 . E A 1 -1.569 3.119 32.333 1 24.1 ? O GLU 14 L 1 
ATOM 208 C CB GLU 27 . E A 1 -2.913 1.668 29.675 1 33.27 ? CB GLU 14 L 1 
ATOM 209 C CG GLU 27 . E A 1 -3.213 0.337 30.353 1 36.28 ? CG GLU 14 L 1 
ATOM 210 C CD GLU 27 . E A 1 -2.894 -0.919 29.587 1 37.4 ? CD GLU 14 L 1 
ATOM 211 O OE1 GLU 27 . E A 1 -2.928 -0.902 28.344 1 33.51 ? OE1 GLU 14 L 1 
ATOM 212 O OE2 GLU 27 . E A 1 -2.611 -1.954 30.199 1 40.66 ? OE2 GLU 14 L 1 
ATOM 213 N N LEU 28 . F A 1 -0.93 3.74 30.289 1 26.51 ? N LEU 14 L 1 
ATOM 214 C CA LEU 28 . F A 1 0.403 4.238 30.626 1 27.01 ? CA LEU 14 L 1 
ATOM 215 C C LEU 28 . F A 1 0.297 5.286 31.708 1 28.17 ? C LEU 14 L 1 
ATOM 216 O O LEU 28 . F A 1 0.832 5.024 32.808 1 29.29 ? O LEU 14 L 1 
ATOM 217 C CB LEU 28 . F A 1 1.098 4.748 29.344 1 27.28 ? CB LEU 14 L 1 
ATOM 218 C CG LEU 28 . F A 1 1.591 3.619 28.418 1 27.77 ? CG LEU 14 L 1 
ATOM 219 C CD1 LEU 28 . F A 1 0.419 2.654 28.26 1 28.82 ? CD1 LEU 14 L 1 
ATOM 220 C CD2 LEU 28 . F A 1 2.14 4.213 27.138 1 28.21 ? CD2 LEU 14 L 1 
ATOM 221 N N LEU 29 . G A 1 -0.363 6.414 31.428 1 27.99 ? N LEU 14 L 1 
ATOM 222 C CA LEU 29 . G A 1 -0.493 7.519 32.39 1 28.02 ? CA LEU 14 L 1 
ATOM 223 C C LEU 29 . G A 1 -0.978 7.088 33.742 1 27.87 ? C LEU 14 L 1 
ATOM 224 O O LEU 29 . G A 1 -0.576 7.613 34.798 1 28.69 ? O LEU 14 L 1 
ATOM 225 C CB LEU 29 . G A 1 -1.347 8.62 31.722 1 26.77 ? CB LEU 14 L 1 
ATOM 226 C CG LEU 29 . G A 1 -0.501 9.417 30.705 1 27.81 ? CG LEU 14 L 1 
ATOM 227 C CD1 LEU 29 . G A 1 0.838 9.954 31.224 1 22.17 ? CD1 LEU 14 L 1 
ATOM 228 C CD2 LEU 29 . G A 1 -0.092 8.616 29.458 1 28.51 ? CD2 LEU 14 L 1 
ATOM 229 N N GLU 30 . H A 1 -1.985 6.273 33.701 1 28.87 ? N GLU 14 L 1 
ATOM 230 C CA GLU 30 . H A 1 -2.649 5.818 34.906 1 31.26 ? CA GLU 14 L 1 
ATOM 231 C C GLU 30 . H A 1 -1.79 5.058 35.877 1 32.21 ? C GLU 14 L 1 
ATOM 232 O O GLU 30 . H A 1 -2.417 4.799 36.917 1 34.08 ? O GLU 14 L 1 
ATOM 233 C CB GLU 30 . H A 1 -3.808 4.844 34.597 1 33.46 ? CB GLU 14 L 1 
ATOM 234 C CG GLU 30 . H A 1 -4.904 5.549 33.806 1 41.76 ? CG GLU 14 L 1 
ATOM 235 C CD GLU 30 . H A 1 -6.157 4.785 33.534 1 45.8 ? CD GLU 14 L 1 
ATOM 236 O OE1 GLU 30 . H A 1 -5.972 3.532 33.647 1 50 ? OE1 GLU 14 L 1 
ATOM 237 O OE2 GLU 30 . H A 1 -7.207 5.348 33.231 1 50 ? OE2 GLU 14 L 1 
ATOM 238 N N SER 31 . I A 1 -0.647 4.57 35.489 1 32.95 ? N SER 14 L 1 
ATOM 239 C CA SER 31 . I A 1 0.288 3.759 36.261 1 32.38 ? CA SER 14 L 1 
ATOM 240 C C SER 31 . I A 1 1.384 4.574 36.92 1 33.11 ? C SER 14 L 1 
ATOM 241 O O SER 31 . I A 1 2.019 4.018 37.835 1 32.82 ? O SER 14 L 1 
ATOM 242 C CB SER 31 . I A 1 0.915 2.629 35.472 1 30.71 ? CB SER 14 L 1 
ATOM 243 O OG SER 31 . I A 1 1.869 2.882 34.482 1 30.55 ? OG SER 14 L 1 
ATOM 244 N N TYR 32 . J A 1 1.75 5.669 36.32 1 33.59 ? N TYR 14 L 1 
ATOM 245 C CA TYR 32 . J A 1 2.771 6.578 36.808 1 36.34 ? CA TYR 14 L 1 
ATOM 246 C C TYR 32 . J A 1 2.052 7.321 37.937 1 39.41 ? C TYR 14 L 1 
ATOM 247 O O TYR 32 . J A 1 1.923 8.545 38.015 1 39.92 ? O TYR 14 L 1 
ATOM 248 C CB TYR 32 . J A 1 3.125 7.573 35.72 1 35.02 ? CB TYR 14 L 1 
ATOM 249 C CG TYR 32 . J A 1 3.503 6.978 34.375 1 35.58 ? CG TYR 14 L 1 
ATOM 250 C CD1 TYR 32 . J A 1 3.739 5.608 34.246 1 34.33 ? CD1 TYR 14 L 1 
ATOM 251 C CD2 TYR 32 . J A 1 3.612 7.826 33.268 1 34.33 ? CD2 TYR 14 L 1 
ATOM 252 C CE1 TYR 32 . J A 1 4.097 5.082 33 1 33.34 ? CE1 TYR 14 L 1 
ATOM 253 C CE2 TYR 32 . J A 1 3.973 7.301 32.022 1 30.89 ? CE2 TYR 14 L 1 
ATOM 254 C CZ TYR 32 . J A 1 4.218 5.929 31.889 1 32.54 ? CZ TYR 14 L 1 
ATOM 255 O OH TYR 32 . J A 1 4.575 5.419 30.68 1 28.28 ? OH TYR 14 L 1 
ATOM 256 N N ILE 33 . K A 1 1.452 6.501 38.417 1 42.95 ? N ILE 14 L 1 
ATOM 257 C CA ILE 33 . K A 1 0.256 6.622 39.254 1 46.68 ? CA ILE 14 L 1 
ATOM 258 C C ILE 33 . K A 1 -0.515 7.889 38.846 1 47.96 ? C ILE 14 L 1 
ATOM 259 O O ILE 33 . K A 1 -0.91 8.708 39.687 1 46.99 ? O ILE 14 L 1 
ATOM 260 C CB ILE 33 . K A 1 0.683 6.695 40.725 1 48.26 ? CB ILE 14 L 1 
ATOM 261 C CG1 ILE 33 . K A 1 2.145 7.123 40.899 1 49.83 ? CG1 ILE 14 L 1 
ATOM 262 C CG2 ILE 33 . K A 1 0.559 5.348 41.447 1 46.36 ? CG2 ILE 14 L 1 
ATOM 263 C CD1 ILE 33 . K A 1 2.327 8.252 41.914 1 49.5 ? CD1 ILE 14 L 1 
ATOM 264 N N ASP 34 . L A 1 -0.656 7.914 37.496 1 50 ? N ASP 14 L 1 
ATOM 265 C CA ASP 34 . L A 1 -1.334 8.967 36.711 1 50 ? CA ASP 14 L 1 
ATOM 266 C C ASP 34 . L A 1 -0.349 10.085 36.38 1 50 ? C ASP 14 L 1 
ATOM 267 O O ASP 34 . L A 1 0.658 9.856 35.691 1 50 ? O ASP 14 L 1 
ATOM 268 C CB ASP 34 . L A 1 -2.509 9.539 37.487 1 50 ? CB ASP 14 L 1 
ATOM 269 C CG ASP 34 . L A 1 -3.643 8.529 37.639 1 50 ? CG ASP 14 L 1 
ATOM 270 O OD1 ASP 34 . L A 1 -3.647 7.72 38.64 1 50 ? OD1 ASP 14 L 1 
ATOM 271 O OD2 ASP 34 . L A 1 -4.591 8.483 36.763 1 50 ? OD2 ASP 14 L 1 
ATOM 272 N N GLY 35 . M A 1 -1.331 10.783 35.12 1 50 ? N GLY 14 L 1 
ATOM 273 C CA GLY 35 . M A 1 -0.796 11.759 34.143 1 50 ? CA GLY 14 L 1 
ATOM 274 C C GLY 35 . M A 1 -0.423 13.191 34.572 1 50 ? C GLY 14 L 1 
ATOM 275 O O GLY 35 . M A 1 -0.028 13.533 35.731 1 50 ? O GLY 14 L 1 
ATOM 276 N N ARG 36 . . A 1 -0.443 14.041 33.527 1 50 ? N ARG 15 L 1 
ATOM 277 C CA ARG 36 . . A 1 -0.129 15.468 33.676 1 50 ? CA ARG 15 L 1 
ATOM 278 C C ARG 36 . . A 1 -1.129 16.087 34.7 1 50 ? C ARG 15 L 1 
ATOM 279 O O ARG 36 . . A 1 -0.921 17.325 34.962 1 50 ? O ARG 15 L 1 
ATOM 280 C CB ARG 36 . . A 1 -0.096 16.305 32.398 1 50 ? CB ARG 15 L 1 
ATOM 281 O OXT ARG 36 . . A 1 -1.545 15.254 35.581 1 50 ? OXT ARG 15 L 1 
ATOM 282 N N ILE 1 . . B 2 5.007 -9.234 18.432 1 18.53 ? N ILE 16 H 1 
ATOM 283 C CA ILE 1 . . B 2 4.405 -8.908 19.756 1 19.89 ? CA ILE 16 H 1 
ATOM 284 C C ILE 1 . . B 2 3.332 -9.979 19.935 1 20.59 ? C ILE 16 H 1 
ATOM 285 O O ILE 1 . . B 2 2.607 -10.216 18.931 1 21.21 ? O ILE 16 H 1 
ATOM 286 C CB ILE 1 . . B 2 3.669 -7.5 19.771 1 19.73 ? CB ILE 16 H 1 
ATOM 287 C CG1 ILE 1 . . B 2 4.593 -6.242 19.576 1 20.19 ? CG1 ILE 16 H 1 
ATOM 288 C CG2 ILE 1 . . B 2 2.71 -7.287 20.958 1 20.01 ? CG2 ILE 16 H 1 
ATOM 289 C CD1 ILE 1 . . B 2 5.618 -5.983 20.709 1 20.24 ? CD1 ILE 16 H 1 
ATOM 290 N N VAL 2 . . B 2 3.205 -10.485 21.139 1 22.21 ? N VAL 17 H 1 
ATOM 291 C CA VAL 2 . . B 2 2.242 -11.494 21.567 1 24.03 ? CA VAL 17 H 1 
ATOM 292 C C VAL 2 . . B 2 1.196 -10.869 22.461 1 26.04 ? C VAL 17 H 1 
ATOM 293 O O VAL 2 . . B 2 1.362 -10.254 23.532 1 27.37 ? O VAL 17 H 1 
ATOM 294 C CB VAL 2 . . B 2 3.005 -12.701 22.235 1 24.72 ? CB VAL 17 H 1 
ATOM 295 C CG1 VAL 2 . . B 2 2.05 -13.698 22.849 1 22.23 ? CG1 VAL 17 H 1 
ATOM 296 C CG2 VAL 2 . . B 2 4.026 -13.364 21.35 1 21.33 ? CG2 VAL 17 H 1 
ATOM 297 N N GLU 3 . . B 2 -0.052 -11.134 22.153 1 27.93 ? N GLU 18 H 1 
ATOM 298 C CA GLU 3 . . B 2 -1.15 -10.574 22.929 1 30.28 ? CA GLU 18 H 1 
ATOM 299 C C GLU 3 . . B 2 -1.185 -9.045 22.926 1 30.48 ? C GLU 18 H 1 
ATOM 300 O O GLU 3 . . B 2 -1.516 -8.486 23.985 1 32.16 ? O GLU 18 H 1 
ATOM 301 C CB GLU 3 . . B 2 -1.201 -10.996 24.387 1 34.4 ? CB GLU 18 H 1 
ATOM 302 C CG GLU 3 . . B 2 -1.812 -12.346 24.724 1 38.42 ? CG GLU 18 H 1 
ATOM 303 C CD GLU 3 . . B 2 -3.232 -12.755 24.595 1 39.85 ? CD GLU 18 H 1 
ATOM 304 O OE1 GLU 3 . . B 2 -3.734 -12.777 23.441 1 40.47 ? OE1 GLU 18 H 1 
ATOM 305 O OE2 GLU 3 . . B 2 -3.875 -13.141 25.569 1 41.48 ? OE2 GLU 18 H 1 
ATOM 306 N N GLY 4 . . B 2 -1.096 -8.39 21.796 1 30.11 ? N GLY 19 H 1 
ATOM 307 C CA GLY 4 . . B 2 -1.27 -6.944 21.737 1 31.8 ? CA GLY 19 H 1 
ATOM 308 C C GLY 4 . . B 2 -2.24 -6.624 20.589 1 32.73 ? C GLY 19 H 1 
ATOM 309 O O GLY 4 . . B 2 -2.534 -7.567 19.846 1 32.52 ? O GLY 19 H 1 
ATOM 310 N N SER 5 . . B 2 -2.486 -5.343 20.285 1 32.1 ? N SER 20 H 1 
ATOM 311 C CA SER 5 . . B 2 -3.356 -4.945 19.184 1 31.29 ? CA SER 20 H 1 
ATOM 312 C C SER 5 . . B 2 -2.563 -4.302 18.056 1 30.12 ? C SER 20 H 1 
ATOM 313 O O SER 5 . . B 2 -1.343 -4.212 18.11 1 30.57 ? O SER 20 H 1 
ATOM 314 C CB SER 5 . . B 2 -4.463 -3.987 19.585 1 34.13 ? CB SER 20 H 1 
ATOM 315 O OG SER 5 . . B 2 -4.17 -3.258 20.76 1 38.32 ? OG SER 20 H 1 
ATOM 316 N N ASP 6 . . B 2 -3.354 -3.933 17.039 1 29.61 ? N ASP 21 H 1 
ATOM 317 C CA ASP 6 . . B 2 -2.729 -3.241 15.893 1 28.57 ? CA ASP 21 H 1 
ATOM 318 C C ASP 6 . . B 2 -2.628 -1.751 16.313 1 26.42 ? C ASP 21 H 1 
ATOM 319 O O ASP 6 . . B 2 -3.632 -1.206 16.747 1 27.06 ? O ASP 21 H 1 
ATOM 320 C CB ASP 6 . . B 2 -3.409 -3.336 14.571 1 30.43 ? CB ASP 21 H 1 
ATOM 321 C CG ASP 6 . . B 2 -3.782 -4.75 14.171 1 30.45 ? CG ASP 21 H 1 
ATOM 322 O OD1 ASP 6 . . B 2 -2.927 -5.604 14.165 1 31.22 ? OD1 ASP 21 H 1 
ATOM 323 O OD2 ASP 6 . . B 2 -4.863 -4.892 13.561 1 35.52 ? OD2 ASP 21 H 1 
ATOM 324 N N ALA 7 . . B 2 -1.466 -1.249 16.129 1 23.9 ? N ALA 22 H 1 
ATOM 325 C CA ALA 7 . . B 2 -1.197 0.147 16.438 1 25.2 ? CA ALA 22 H 1 
ATOM 326 C C ALA 7 . . B 2 -2.086 1.04 15.606 1 26.62 ? C ALA 22 H 1 
ATOM 327 O O ALA 7 . . B 2 -2.3 0.72 14.409 1 29.58 ? O ALA 22 H 1 
ATOM 328 C CB ALA 7 . . B 2 0.273 0.324 16.061 1 25.22 ? CB ALA 22 H 1 
ATOM 329 N N GLU 8 . . B 2 -2.527 2.21 16.058 1 26.59 ? N GLU 23 H 1 
ATOM 330 C CA GLU 8 . . B 2 -3.235 3.213 15.242 1 23.98 ? CA GLU 23 H 1 
ATOM 331 C C GLU 8 . . B 2 -2.28 3.858 14.246 1 23.25 ? C GLU 23 H 1 
ATOM 332 O O GLU 8 . . B 2 -1.031 3.68 14.283 1 22.56 ? O GLU 23 H 1 
ATOM 333 C CB GLU 8 . . B 2 -3.757 4.294 16.194 1 27.85 ? CB GLU 23 H 1 
ATOM 334 C CG GLU 8 . . B 2 -4.463 3.712 17.413 1 30.21 ? CG GLU 23 H 1 
ATOM 335 C CD GLU 8 . . B 2 -5.149 4.677 18.318 1 32.13 ? CD GLU 23 H 1 
ATOM 336 O OE1 GLU 8 . . B 2 -5.843 5.591 17.919 1 31.94 ? OE1 GLU 23 H 1 
ATOM 337 O OE2 GLU 8 . . B 2 -5.175 4.332 19.53 1 32.7 ? OE2 GLU 23 H 1 
ATOM 338 N N ILE 9 . . B 2 -2.88 4.433 13.196 1 21.74 ? N ILE 24 H 1 
ATOM 339 C CA ILE 9 . . B 2 -2.057 5.092 12.167 1 20.62 ? CA ILE 24 H 1 
ATOM 340 C C ILE 9 . . B 2 -1.417 6.284 12.935 1 20.45 ? C ILE 24 H 1 
ATOM 341 O O ILE 9 . . B 2 -2.151 6.982 13.683 1 19.47 ? O ILE 24 H 1 
ATOM 342 C CB ILE 9 . . B 2 -2.845 5.405 10.852 1 19.05 ? CB ILE 24 H 1 
ATOM 343 C CG1 ILE 9 . . B 2 -3.561 4.214 10.186 1 15.95 ? CG1 ILE 24 H 1 
ATOM 344 C CG2 ILE 9 . . B 2 -1.931 6.136 9.818 1 21.89 ? CG2 ILE 24 H 1 
ATOM 345 C CD1 ILE 9 . . B 2 -2.75 3.576 9.01 1 18.22 ? CD1 ILE 24 H 1 
ATOM 346 N N GLY 10 . . B 2 -0.168 6.488 12.641 1 17.81 ? N GLY 25 H 1 
ATOM 347 C CA GLY 10 . . B 2 0.889 7.333 13.076 1 17.7 ? CA GLY 25 H 1 
ATOM 348 C C GLY 10 . . B 2 1.068 7.319 14.571 1 18.4 ? C GLY 25 H 1 
ATOM 349 O O GLY 10 . . B 2 1.487 8.32 15.117 1 17.76 ? O GLY 25 H 1 
ATOM 350 N N MET 11 . . B 2 0.847 6.214 15.268 1 19.12 ? N MET 26 H 1 
ATOM 351 C CA MET 11 . . B 2 0.93 6.047 16.706 1 18.32 ? CA MET 26 H 1 
ATOM 352 C C MET 11 . . B 2 2.367 5.88 17.168 1 19.32 ? C MET 26 H 1 
ATOM 353 O O MET 11 . . B 2 2.595 6.143 18.354 1 18.55 ? O MET 26 H 1 
ATOM 354 C CB MET 11 . . B 2 0.099 4.846 17.093 1 20.77 ? CB MET 26 H 1 
ATOM 355 C CG MET 11 . . B 2 -0.166 4.613 18.548 1 20.87 ? CG MET 26 H 1 
ATOM 356 S SD MET 11 . . B 2 -0.677 2.854 18.717 1 24.71 ? SD MET 26 H 1 
ATOM 357 C CE MET 11 . . B 2 -1.778 2.771 20.124 1 22.76 ? CE MET 26 H 1 
ATOM 358 N N SER 12 . . B 2 3.251 5.478 16.278 1 19.44 ? N SER 27 H 1 
ATOM 359 C CA SER 12 . . B 2 4.665 5.237 16.482 1 18.57 ? CA SER 27 H 1 
ATOM 360 C C SER 12 . . B 2 5.505 5.784 15.329 1 18.48 ? C SER 27 H 1 
ATOM 361 O O SER 12 . . B 2 6.165 5.023 14.601 1 16.59 ? O SER 27 H 1 
ATOM 362 C CB SER 12 . . B 2 4.698 3.685 16.571 1 22.64 ? CB SER 27 H 1 
ATOM 363 O OG SER 12 . . B 2 5.57 3.284 17.617 1 26.28 ? OG SER 27 H 1 
ATOM 364 N N PRO 13 . . B 2 5.527 7.102 15.132 1 17.65 ? N PRO 28 H 1 
ATOM 365 C CA PRO 13 . . B 2 6.253 7.706 14.026 1 17.32 ? CA PRO 28 H 1 
ATOM 366 C C PRO 13 . . B 2 7.75 7.433 14.052 1 17.52 ? C PRO 28 H 1 
ATOM 367 O O PRO 13 . . B 2 8.439 7.699 13.019 1 16.77 ? O PRO 28 H 1 
ATOM 368 C CB PRO 13 . . B 2 5.982 9.185 14.176 1 16.55 ? CB PRO 28 H 1 
ATOM 369 C CG PRO 13 . . B 2 5.097 9.377 15.397 1 16.1 ? CG PRO 28 H 1 
ATOM 370 C CD PRO 13 . . B 2 4.819 8.04 16.007 1 16.85 ? CD PRO 28 H 1 
ATOM 371 N N TRP 14 . . B 2 8.257 6.915 15.167 1 17.22 ? N TRP 29 H 1 
ATOM 372 C CA TRP 14 . . B 2 9.72 6.676 15.333 1 16.59 ? CA TRP 29 H 1 
ATOM 373 C C TRP 14 . . B 2 10.133 5.2 15.087 1 18.05 ? C TRP 29 H 1 
ATOM 374 O O TRP 14 . . B 2 11.347 4.994 14.781 1 17.12 ? O TRP 29 H 1 
ATOM 375 C CB TRP 14 . . B 2 10.155 7.037 16.752 1 11.46 ? CB TRP 29 H 1 
ATOM 376 C CG TRP 14 . . B 2 9.126 6.638 17.812 1 11.71 ? CG TRP 29 H 1 
ATOM 377 C CD1 TRP 14 . . B 2 8.902 5.41 18.299 1 11.06 ? CD1 TRP 29 H 1 
ATOM 378 C CD2 TRP 14 . . B 2 8.234 7.532 18.456 1 13 ? CD2 TRP 29 H 1 
ATOM 379 N NE1 TRP 14 . . B 2 7.852 5.525 19.265 1 14.21 ? NE1 TRP 29 H 1 
ATOM 380 C CE2 TRP 14 . . B 2 7.475 6.778 19.342 1 14.32 ? CE2 TRP 29 H 1 
ATOM 381 C CE3 TRP 14 . . B 2 8.005 8.909 18.362 1 15.73 ? CE3 TRP 29 H 1 
ATOM 382 C CZ2 TRP 14 . . B 2 6.482 7.33 20.159 1 13.98 ? CZ2 TRP 29 H 1 
ATOM 383 C CZ3 TRP 14 . . B 2 7.004 9.456 19.188 1 15.97 ? CZ3 TRP 29 H 1 
ATOM 384 C CH2 TRP 14 . . B 2 6.278 8.702 20.044 1 12.03 ? CH2 TRP 29 H 1 
ATOM 385 N N GLN 15 . . B 2 9.158 4.34 14.814 1 19.19 ? N GLN 30 H 1 
ATOM 386 C CA GLN 15 . . B 2 9.245 2.867 14.534 1 17.63 ? CA GLN 30 H 1 
ATOM 387 C C GLN 15 . . B 2 9.842 2.713 13.176 1 18.8 ? C GLN 30 H 1 
ATOM 388 O O GLN 15 . . B 2 9.349 3.379 12.252 1 18.74 ? O GLN 30 H 1 
ATOM 389 C CB GLN 15 . . B 2 7.936 2.146 14.67 1 19.85 ? CB GLN 30 H 1 
ATOM 390 C CG GLN 15 . . B 2 7.673 0.693 14.471 1 17.84 ? CG GLN 30 H 1 
ATOM 391 C CD GLN 15 . . B 2 8.533 -0.093 15.445 1 19.78 ? CD GLN 30 H 1 
ATOM 392 O OE1 GLN 15 . . B 2 8.322 0.062 16.625 1 19.47 ? OE1 GLN 30 H 1 
ATOM 393 N NE2 GLN 15 . . B 2 9.522 -0.854 15.077 1 17.16 ? NE2 GLN 30 H 1 
ATOM 394 N N VAL 16 . . B 2 10.954 2.017 13.13 1 19.6 ? N VAL 31 H 1 
ATOM 395 C CA VAL 16 . . B 2 11.776 1.77 11.942 1 20.26 ? CA VAL 31 H 1 
ATOM 396 C C VAL 16 . . B 2 11.897 0.266 11.685 1 22.52 ? C VAL 31 H 1 
ATOM 397 O O VAL 16 . . B 2 11.848 -0.54 12.626 1 22.51 ? O VAL 31 H 1 
ATOM 398 C CB VAL 16 . . B 2 13.167 2.38 12.009 1 21.88 ? CB VAL 31 H 1 
ATOM 399 C CG1 VAL 16 . . B 2 13.926 1.966 10.77 1 21.94 ? CG1 VAL 31 H 1 
ATOM 400 C CG2 VAL 16 . . B 2 13.141 3.897 12.303 1 20.91 ? CG2 VAL 31 H 1 
ATOM 401 N N MET 17 . . B 2 11.834 -0.158 10.445 1 23.32 ? N MET 32 H 1 
ATOM 402 C CA MET 17 . . B 2 11.892 -1.572 10.079 1 22.42 ? CA MET 32 H 1 
ATOM 403 C C MET 17 . . B 2 13.285 -1.808 9.552 1 21.99 ? C MET 32 H 1 
ATOM 404 O O MET 17 . . B 2 13.602 -1.059 8.637 1 22.63 ? O MET 32 H 1 
ATOM 405 C CB MET 17 . . B 2 10.86 -1.906 8.996 1 22.64 ? CB MET 32 H 1 
ATOM 406 C CG MET 17 . . B 2 11.003 -3.368 8.592 1 22.4 ? CG MET 32 H 1 
ATOM 407 S SD MET 17 . . B 2 9.935 -3.74 7.113 1 24.5 ? SD MET 32 H 1 
ATOM 408 C CE MET 17 . . B 2 8.447 -3.911 8.059 1 11.74 ? CE MET 32 H 1 
ATOM 409 N N LEU 18 . . B 2 14.054 -2.656 10.161 1 22.71 ? N LEU 33 H 1 
ATOM 410 C CA LEU 18 . . B 2 15.384 -3.024 9.585 1 24.94 ? CA LEU 33 H 1 
ATOM 411 C C LEU 18 . . B 2 15.065 -4.145 8.583 1 25.84 ? C LEU 33 H 1 
ATOM 412 O O LEU 18 . . B 2 14.519 -5.197 8.936 1 24.76 ? O LEU 33 H 1 
ATOM 413 C CB LEU 18 . . B 2 16.066 -3.364 10.881 1 28.97 ? CB LEU 33 H 1 
ATOM 414 C CG LEU 18 . . B 2 17.466 -2.811 11.124 1 32.02 ? CG LEU 33 H 1 
ATOM 415 C CD1 LEU 18 . . B 2 18.439 -3.912 11.565 1 34.4 ? CD1 LEU 33 H 1 
ATOM 416 C CD2 LEU 18 . . B 2 18.086 -2.137 9.91 1 29.62 ? CD2 LEU 33 H 1 
ATOM 417 N N PHE 19 . . B 2 15.389 -3.91 7.335 1 25.49 ? N PHE 34 H 1 
ATOM 418 C CA PHE 19 . . B 2 14.972 -4.811 6.251 1 27.56 ? CA PHE 34 H 1 
ATOM 419 C C PHE 19 . . B 2 16.177 -5.29 5.422 1 30.42 ? C PHE 34 H 1 
ATOM 420 O O PHE 19 . . B 2 17.013 -4.486 4.993 1 31.62 ? O PHE 34 H 1 
ATOM 421 C CB PHE 19 . . B 2 13.986 -4 5.4 1 22.69 ? CB PHE 34 H 1 
ATOM 422 C CG PHE 19 . . B 2 13.197 -4.805 4.384 1 20.64 ? CG PHE 34 H 1 
ATOM 423 C CD1 PHE 19 . . B 2 12.112 -5.589 4.793 1 20.76 ? CD1 PHE 34 H 1 
ATOM 424 C CD2 PHE 19 . . B 2 13.56 -4.739 3.04 1 21.98 ? CD2 PHE 34 H 1 
ATOM 425 C CE1 PHE 19 . . B 2 11.394 -6.325 3.844 1 20.14 ? CE1 PHE 34 H 1 
ATOM 426 C CE2 PHE 19 . . B 2 12.847 -5.476 2.091 1 19.86 ? CE2 PHE 34 H 1 
ATOM 427 C CZ PHE 19 . . B 2 11.765 -6.271 2.493 1 22.64 ? CZ PHE 34 H 1 
ATOM 428 N N ARG 20 . . B 2 16.245 -6.611 5.211 1 32.32 ? N ARG 35 H 1 
ATOM 429 C CA ARG 20 . . B 2 17.329 -7.221 4.402 1 34.03 ? CA ARG 35 H 1 
ATOM 430 C C ARG 20 . . B 2 17.021 -7.025 2.922 1 35.22 ? C ARG 35 H 1 
ATOM 431 O O ARG 20 . . B 2 15.949 -7.351 2.358 1 34.2 ? O ARG 35 H 1 
ATOM 432 C CB ARG 20 . . B 2 17.488 -8.659 4.695 1 35.12 ? CB ARG 35 H 1 
ATOM 433 C CG ARG 20 . . B 2 18.895 -9.118 4.431 1 37.86 ? CG ARG 35 H 1 
ATOM 434 C CD ARG 20 . . B 2 18.995 -10.558 4.784 1 41.03 ? CD ARG 35 H 1 
ATOM 435 N NE ARG 20 . . B 2 20.106 -11.222 4.226 1 41.68 ? NE ARG 35 H 1 
ATOM 436 C CZ ARG 20 . . B 2 20.456 -12.442 4.565 1 40.87 ? CZ ARG 35 H 1 
ATOM 437 N NH1 ARG 20 . . B 2 19.759 -13.143 5.479 1 38.68 ? NH1 ARG 35 H 1 
ATOM 438 N NH2 ARG 20 . . B 2 21.493 -13.05 4.021 1 41.66 ? NH2 ARG 35 H 1 
ATOM 439 N N LYS 21 . . B 2 18.048 -6.493 2.239 1 37.18 ? N LYS 36 H 1 
ATOM 440 C CA LYS 21 . . B 2 17.828 -6.314 0.779 1 39.96 ? CA LYS 36 H 1 
ATOM 441 C C LYS 21 . . B 2 17.622 -7.601 -0.008 1 41.74 ? C LYS 36 H 1 
ATOM 442 O O LYS 21 . . B 2 16.826 -7.68 -0.953 1 41.82 ? O LYS 36 H 1 
ATOM 443 C CB LYS 21 . . B 2 18.991 -5.572 0.11 1 38.9 ? CB LYS 36 H 1 
ATOM 444 C CG LYS 21 . . B 2 18.704 -4.072 0.296 1 38.98 ? CG LYS 36 H 1 
ATOM 445 C CD LYS 21 . . B 2 20.01 -3.34 0.528 1 38.83 ? CD LYS 36 H 1 
ATOM 446 C CE LYS 21 . . B 2 20.635 -2.651 -0.651 1 37.47 ? CE LYS 36 H 1 
ATOM 447 N NZ LYS 21 . . B 2 22.071 -2.387 -0.319 1 39.72 ? NZ LYS 36 H 1 
ATOM 448 N N SER 22 . A B 2 18.394 -8.624 0.311 1 43.66 ? N SER 36 H 1 
ATOM 449 C CA SER 22 . A B 2 18.438 -9.894 -0.427 1 44.33 ? CA SER 36 H 1 
ATOM 450 C C SER 22 . A B 2 18.828 -11.111 0.388 1 44.46 ? C SER 36 H 1 
ATOM 451 O O SER 22 . A B 2 20.05 -11.181 0.746 1 45.43 ? O SER 36 H 1 
ATOM 452 C CB SER 22 . A B 2 19.581 -9.685 -1.46 1 46.66 ? CB SER 36 H 1 
ATOM 453 O OG SER 22 . A B 2 19.154 -9.97 -2.804 1 50 ? OG SER 36 H 1 
ATOM 454 N N PRO 23 . . B 2 17.942 -12.032 0.707 1 43.33 ? N PRO 37 H 1 
ATOM 455 C CA PRO 23 . . B 2 16.528 -12.05 0.412 1 43.67 ? CA PRO 37 H 1 
ATOM 456 C C PRO 23 . . B 2 15.86 -10.882 1.132 1 43.95 ? C PRO 37 H 1 
ATOM 457 O O PRO 23 . . B 2 16.169 -10.647 2.311 1 44.65 ? O PRO 37 H 1 
ATOM 458 C CB PRO 23 . . B 2 16.017 -13.353 1.007 1 43.39 ? CB PRO 37 H 1 
ATOM 459 C CG PRO 23 . . B 2 17.114 -14.001 1.781 1 42.94 ? CG PRO 37 H 1 
ATOM 460 C CD PRO 23 . . B 2 18.347 -13.183 1.509 1 43.17 ? CD PRO 37 H 1 
ATOM 461 N N GLN 24 . . B 2 15.002 -10.196 0.42 1 43.99 ? N GLN 38 H 1 
ATOM 462 C CA GLN 24 . . B 2 14.29 -9.017 0.932 1 44.11 ? CA GLN 38 H 1 
ATOM 463 C C GLN 24 . . B 2 13.404 -9.497 2.093 1 43.36 ? C GLN 38 H 1 
ATOM 464 O O GLN 24 . . B 2 12.445 -10.155 1.701 1 44.01 ? O GLN 38 H 1 
ATOM 465 C CB GLN 24 . . B 2 13.41 -8.325 -0.107 1 45.68 ? CB GLN 38 H 1 
ATOM 466 C CG GLN 24 . . B 2 14.11 -7.076 -0.663 1 47.38 ? CG GLN 38 H 1 
ATOM 467 C CD GLN 24 . . B 2 13.443 -6.617 -1.957 1 46.6 ? CD GLN 38 H 1 
ATOM 468 O OE1 GLN 24 . . B 2 14.161 -6.314 -2.914 1 46.02 ? OE1 GLN 38 H 1 
ATOM 469 N NE2 GLN 24 . . B 2 12.11 -6.664 -1.889 1 45.76 ? NE2 GLN 38 H 1 
ATOM 470 N N GLU 25 . . B 2 13.861 -9.192 3.295 1 42.24 ? N GLU 39 H 1 
ATOM 471 C CA GLU 25 . . B 2 13.209 -9.571 4.535 1 39.85 ? CA GLU 39 H 1 
ATOM 472 C C GLU 25 . . B 2 13.488 -8.679 5.746 1 37.29 ? C GLU 39 H 1 
ATOM 473 O O GLU 25 . . B 2 14.554 -8.118 5.977 1 36.66 ? O GLU 39 H 1 
ATOM 474 C CB GLU 25 . . B 2 13.643 -10.996 4.96 1 40.4 ? CB GLU 39 H 1 
ATOM 475 C CG GLU 25 . . B 2 15.128 -11.269 4.788 1 43.66 ? CG GLU 39 H 1 
ATOM 476 C CD GLU 25 . . B 2 15.717 -12.453 5.502 1 45.73 ? CD GLU 39 H 1 
ATOM 477 O OE1 GLU 25 . . B 2 14.86 -13.263 5.919 1 44.4 ? OE1 GLU 39 H 1 
ATOM 478 O OE2 GLU 25 . . B 2 16.932 -12.47 5.731 1 47.29 ? OE2 GLU 39 H 1 
ATOM 479 N N LEU 26 . . B 2 12.48 -8.664 6.604 1 35.35 ? N LEU 40 H 1 
ATOM 480 C CA LEU 26 . . B 2 12.47 -7.937 7.839 1 33.51 ? CA LEU 40 H 1 
ATOM 481 C C LEU 26 . . B 2 13.515 -8.575 8.765 1 32.79 ? C LEU 40 H 1 
ATOM 482 O O LEU 26 . . B 2 13.179 -9.733 9.088 1 33.08 ? O LEU 40 H 1 
ATOM 483 C CB LEU 26 . . B 2 11.118 -8.107 8.577 1 31.95 ? CB LEU 40 H 1 
ATOM 484 C CG LEU 26 . . B 2 11.169 -7.52 9.998 1 32.32 ? CG LEU 40 H 1 
ATOM 485 C CD1 LEU 26 . . B 2 11.304 -6.003 9.929 1 28.89 ? CD1 LEU 40 H 1 
ATOM 486 C CD2 LEU 26 . . B 2 9.905 -7.857 10.78 1 30.63 ? CD2 LEU 40 H 1 
ATOM 487 N N LEU 27 . . B 2 14.526 -7.849 9.181 1 30.81 ? N LEU 41 H 1 
ATOM 488 C CA LEU 27 . . B 2 15.514 -8.352 10.105 1 28.2 ? CA LEU 41 H 1 
ATOM 489 C C LEU 27 . . B 2 15.056 -8.073 11.52 1 27.29 ? C LEU 41 H 1 
ATOM 490 O O LEU 27 . . B 2 15.055 -8.995 12.36 1 27.39 ? O LEU 41 H 1 
ATOM 491 C CB LEU 27 . . B 2 16.864 -7.736 9.803 1 29.78 ? CB LEU 41 H 1 
ATOM 492 C CG LEU 27 . . B 2 17.501 -8.263 8.506 1 35.94 ? CG LEU 41 H 1 
ATOM 493 C CD1 LEU 27 . . B 2 18.988 -7.891 8.626 1 34.82 ? CD1 LEU 41 H 1 
ATOM 494 C CD2 LEU 27 . . B 2 17.279 -9.765 8.28 1 31.35 ? CD2 LEU 41 H 1 
ATOM 495 N N CYS 28 . . B 2 14.727 -6.837 11.782 1 24.3 ? N CYS 42 H 1 
ATOM 496 C CA CYS 28 . . B 2 14.389 -6.308 13.119 1 20.93 ? CA CYS 42 H 1 
ATOM 497 C C CYS 28 . . B 2 13.67 -4.96 13.028 1 18.26 ? C CYS 42 H 1 
ATOM 498 O O CYS 28 . . B 2 13.381 -4.452 11.933 1 16.91 ? O CYS 42 H 1 
ATOM 499 C CB CYS 28 . . B 2 15.655 -6.023 13.965 1 23.97 ? CB CYS 42 H 1 
ATOM 500 S SG CYS 28 . . B 2 16.68 -7.507 14.425 1 22.06 ? SG CYS 42 H 1 
ATOM 501 N N GLY 29 . . B 2 13.419 -4.438 14.211 1 17.59 ? N GLY 43 H 1 
ATOM 502 C CA GLY 29 . . B 2 12.797 -3.134 14.405 1 17.36 ? CA GLY 43 H 1 
ATOM 503 C C GLY 29 . . B 2 13.922 -2.12 14.643 1 17.56 ? C GLY 43 H 1 
ATOM 504 O O GLY 29 . . B 2 15.109 -2.505 14.743 1 16.84 ? O GLY 43 H 1 
ATOM 505 N N ALA 30 . . B 2 13.587 -0.942 15.156 1 16.93 ? N ALA 44 H 1 
ATOM 506 C CA ALA 30 . . B 2 14.611 0.12 15.297 1 16.27 ? CA ALA 44 H 1 
ATOM 507 C C ALA 30 . . B 2 13.847 1.404 15.65 1 16.81 ? C ALA 44 H 1 
ATOM 508 O O ALA 30 . . B 2 12.59 1.328 15.828 1 15.5 ? O ALA 44 H 1 
ATOM 509 C CB ALA 30 . . B 2 15.513 0.118 14.056 1 10.15 ? CB ALA 44 H 1 
ATOM 510 N N SER 31 . . B 2 14.569 2.406 16.122 1 16.5 ? N SER 45 H 1 
ATOM 511 C CA SER 31 . . B 2 13.839 3.662 16.477 1 18.05 ? CA SER 45 H 1 
ATOM 512 C C SER 31 . . B 2 14.578 4.855 15.835 1 19.37 ? C SER 45 H 1 
ATOM 513 O O SER 31 . . B 2 15.766 4.676 15.549 1 20.38 ? O SER 45 H 1 
ATOM 514 C CB SER 31 . . B 2 13.522 3.815 17.912 1 17.34 ? CB SER 45 H 1 
ATOM 515 O OG SER 31 . . B 2 14.715 4.109 18.707 1 24.36 ? OG SER 45 H 1 
ATOM 516 N N LEU 32 . . B 2 13.84 5.884 15.394 1 20.65 ? N LEU 46 H 1 
ATOM 517 C CA LEU 32 . . B 2 14.395 7.086 14.733 1 20.64 ? CA LEU 46 H 1 
ATOM 518 C C LEU 32 . . B 2 14.684 8.052 15.911 1 20.01 ? C LEU 46 H 1 
ATOM 519 O O LEU 32 . . B 2 13.691 8.36 16.55 1 17.96 ? O LEU 46 H 1 
ATOM 520 C CB LEU 32 . . B 2 13.383 7.794 13.811 1 19.79 ? CB LEU 46 H 1 
ATOM 521 C CG LEU 32 . . B 2 13.643 8.437 12.488 1 18.58 ? CG LEU 46 H 1 
ATOM 522 C CD1 LEU 32 . . B 2 13.002 9.854 12.462 1 16.84 ? CD1 LEU 46 H 1 
ATOM 523 C CD2 LEU 32 . . B 2 15.079 8.627 11.999 1 12.37 ? CD2 LEU 46 H 1 
ATOM 524 N N ILE 33 . . B 2 15.923 8.509 15.991 1 22.16 ? N ILE 47 H 1 
ATOM 525 C CA ILE 33 . . B 2 16.264 9.413 17.13 1 25.24 ? CA ILE 47 H 1 
ATOM 526 C C ILE 33 . . B 2 16.73 10.804 16.672 1 25.17 ? C ILE 47 H 1 
ATOM 527 O O ILE 33 . . B 2 16.779 11.797 17.422 1 25.88 ? O ILE 47 H 1 
ATOM 528 C CB ILE 33 . . B 2 17.189 8.699 18.197 1 20.82 ? CB ILE 47 H 1 
ATOM 529 C CG1 ILE 33 . . B 2 18.563 8.303 17.646 1 24.87 ? CG1 ILE 47 H 1 
ATOM 530 C CG2 ILE 33 . . B 2 16.538 7.44 18.794 1 19.19 ? CG2 ILE 47 H 1 
ATOM 531 C CD1 ILE 33 . . B 2 19.479 7.726 18.8 1 25.57 ? CD1 ILE 47 H 1 
ATOM 532 N N SER 34 . . B 2 16.64 11.044 15.394 1 27.04 ? N SER 48 H 1 
ATOM 533 C CA SER 34 . . B 2 16.975 12.384 14.818 1 27.1 ? CA SER 48 H 1 
ATOM 534 C C SER 34 . . B 2 16.711 12.229 13.33 1 28.21 ? C SER 48 H 1 
ATOM 535 O O SER 34 . . B 2 16.149 11.124 13.072 1 27.4 ? O SER 48 H 1 
ATOM 536 C CB SER 34 . . B 2 18.342 12.693 15.301 1 25.32 ? CB SER 48 H 1 
ATOM 537 O OG SER 34 . . B 2 19.331 12.446 14.337 1 29.07 ? OG SER 48 H 1 
ATOM 538 N N ASP 35 . . B 2 16.977 13.169 12.42 1 27.51 ? N ASP 49 H 1 
ATOM 539 C CA ASP 35 . . B 2 16.672 12.799 11.014 1 27.92 ? CA ASP 49 H 1 
ATOM 540 C C ASP 35 . . B 2 17.792 11.983 10.347 1 27.07 ? C ASP 49 H 1 
ATOM 541 O O ASP 35 . . B 2 17.57 11.509 9.206 1 26.96 ? O ASP 49 H 1 
ATOM 542 C CB ASP 35 . . B 2 16.309 14.067 10.23 1 31.97 ? CB ASP 49 H 1 
ATOM 543 C CG ASP 35 . . B 2 17.548 14.957 10.295 1 32.49 ? CG ASP 49 H 1 
ATOM 544 O OD1 ASP 35 . . B 2 18.084 14.87 11.413 1 35.47 ? OD1 ASP 49 H 1 
ATOM 545 O OD2 ASP 35 . . B 2 18 15.601 9.354 1 36.28 ? OD2 ASP 49 H 1 
ATOM 546 N N ARG 36 . . B 2 18.941 11.816 10.961 1 25.37 ? N ARG 50 H 1 
ATOM 547 C CA ARG 36 . . B 2 20.067 11.049 10.405 1 24.44 ? CA ARG 50 H 1 
ATOM 548 C C ARG 36 . . B 2 20.443 9.772 11.187 1 22.61 ? C ARG 50 H 1 
ATOM 549 O O ARG 36 . . B 2 21.352 9.032 10.721 1 20.45 ? O ARG 50 H 1 
ATOM 550 C CB ARG 36 . . B 2 21.392 11.868 10.431 1 25.69 ? CB ARG 50 H 1 
ATOM 551 C CG ARG 36 . . B 2 21.591 12.83 9.312 1 30.17 ? CG ARG 50 H 1 
ATOM 552 C CD ARG 36 . . B 2 21.947 12.236 8.003 1 33.06 ? CD ARG 50 H 1 
ATOM 553 N NE ARG 36 . . B 2 23.264 11.622 8.057 1 37.3 ? NE ARG 50 H 1 
ATOM 554 C CZ ARG 36 . . B 2 24.201 11.515 7.116 1 37.52 ? CZ ARG 50 H 1 
ATOM 555 N NH1 ARG 36 . . B 2 23.948 12.001 5.88 1 40.11 ? NH1 ARG 50 H 1 
ATOM 556 N NH2 ARG 36 . . B 2 25.337 10.843 7.39 1 33.83 ? NH2 ARG 50 H 1 
ATOM 557 N N TRP 37 . . B 2 19.92 9.588 12.371 1 22.04 ? N TRP 51 H 1 
ATOM 558 C CA TRP 37 . . B 2 20.218 8.436 13.268 1 22.73 ? CA TRP 51 H 1 
ATOM 559 C C TRP 37 . . B 2 18.97 7.608 13.647 1 22.44 ? C TRP 51 H 1 
ATOM 560 O O TRP 37 . . B 2 17.96 8.042 14.235 1 21.23 ? O TRP 51 H 1 
ATOM 561 C CB TRP 37 . . B 2 20.969 8.932 14.515 1 24.41 ? CB TRP 51 H 1 
ATOM 562 C CG TRP 37 . . B 2 22.33 9.582 14.221 1 28.35 ? CG TRP 51 H 1 
ATOM 563 C CD1 TRP 37 . . B 2 22.573 10.881 13.992 1 31.34 ? CD1 TRP 51 H 1 
ATOM 564 C CD2 TRP 37 . . B 2 23.573 8.893 14.153 1 30.4 ? CD2 TRP 51 H 1 
ATOM 565 N NE1 TRP 37 . . B 2 23.981 11.018 13.769 1 30.62 ? NE1 TRP 51 H 1 
ATOM 566 C CE2 TRP 37 . . B 2 24.549 9.841 13.868 1 31 ? CE2 TRP 51 H 1 
ATOM 567 C CE3 TRP 37 . . B 2 23.948 7.553 14.307 1 32.71 ? CE3 TRP 51 H 1 
ATOM 568 C CZ2 TRP 37 . . B 2 25.906 9.522 13.723 1 31.9 ? CZ2 TRP 51 H 1 
ATOM 569 C CZ3 TRP 37 . . B 2 25.317 7.242 14.16 1 32.35 ? CZ3 TRP 51 H 1 
ATOM 570 C CH2 TRP 37 . . B 2 26.249 8.182 13.882 1 33.38 ? CH2 TRP 51 H 1 
ATOM 571 N N VAL 38 . . B 2 19.251 6.297 13.659 1 21.83 ? N VAL 52 H 1 
ATOM 572 C CA VAL 38 . . B 2 18.36 5.214 14.036 1 20.35 ? CA VAL 52 H 1 
ATOM 573 C C VAL 38 . . B 2 19.038 4.348 15.118 1 20.98 ? C VAL 52 H 1 
ATOM 574 O O VAL 38 . . B 2 20.219 4.1 14.913 1 20.62 ? O VAL 52 H 1 
ATOM 575 C CB VAL 38 . . B 2 18.084 4.359 12.749 1 21.98 ? CB VAL 52 H 1 
ATOM 576 C CG1 VAL 38 . . B 2 17.519 2.994 13.027 1 16.77 ? CG1 VAL 52 H 1 
ATOM 577 C CG2 VAL 38 . . B 2 17.261 5.182 11.729 1 22.4 ? CG2 VAL 52 H 1 
ATOM 578 N N LEU 39 . . B 2 18.356 3.848 16.104 1 18.43 ? N LEU 53 H 1 
ATOM 579 C CA LEU 39 . . B 2 18.891 3.027 17.154 1 20.51 ? CA LEU 53 H 1 
ATOM 580 C C LEU 39 . . B 2 18.177 1.65 17.161 1 20.64 ? C LEU 53 H 1 
ATOM 581 O O LEU 39 . . B 2 16.966 1.534 17.044 1 20.01 ? O LEU 53 H 1 
ATOM 582 C CB LEU 39 . . B 2 18.754 3.782 18.481 1 17.62 ? CB LEU 53 H 1 
ATOM 583 C CG LEU 39 . . B 2 19.13 3.065 19.757 1 16.45 ? CG LEU 53 H 1 
ATOM 584 C CD1 LEU 39 . . B 2 20.651 3.116 19.87 1 15.81 ? CD1 LEU 53 H 1 
ATOM 585 C CD2 LEU 39 . . B 2 18.411 3.762 20.878 1 14.14 ? CD2 LEU 53 H 1 
ATOM 586 N N THR 40 . . B 2 19.037 0.628 17.309 1 21.29 ? N THR 54 H 1 
ATOM 587 C CA THR 40 . . B 2 18.578 -0.791 17.3 1 21.19 ? CA THR 54 H 1 
ATOM 588 C C THR 40 . . B 2 19.458 -1.686 18.135 1 20.42 ? C THR 54 H 1 
ATOM 589 O O THR 40 . . B 2 20.478 -1.232 18.701 1 19.12 ? O THR 54 H 1 
ATOM 590 C CB THR 40 . . B 2 18.548 -1.208 15.765 1 21.7 ? CB THR 54 H 1 
ATOM 591 O OG1 THR 40 . . B 2 17.709 -2.408 15.766 1 25.33 ? OG1 THR 54 H 1 
ATOM 592 C CG2 THR 40 . . B 2 19.946 -1.415 15.209 1 19.02 ? CG2 THR 54 H 1 
ATOM 593 N N ALA 41 . . B 2 19.098 -2.968 18.288 1 21.07 ? N ALA 55 H 1 
ATOM 594 C CA ALA 41 . . B 2 19.953 -3.873 19.16 1 19.45 ? CA ALA 55 H 1 
ATOM 595 C C ALA 41 . . B 2 21.261 -4.205 18.477 1 19.46 ? C ALA 55 H 1 
ATOM 596 O O ALA 41 . . B 2 21.084 -4.56 17.272 1 19.85 ? O ALA 55 H 1 
ATOM 597 C CB ALA 41 . . B 2 19.093 -5.068 19.462 1 13.92 ? CB ALA 55 H 1 
ATOM 598 N N ALA 42 . . B 2 22.463 -4.345 19.069 1 18.77 ? N ALA 56 H 1 
ATOM 599 C CA ALA 42 . . B 2 23.578 -4.841 18.211 1 17.95 ? CA ALA 56 H 1 
ATOM 600 C C ALA 42 . . B 2 23.324 -6.299 17.774 1 18.35 ? C ALA 56 H 1 
ATOM 601 O O ALA 42 . . B 2 23.758 -6.703 16.727 1 17.63 ? O ALA 56 H 1 
ATOM 602 C CB ALA 42 . . B 2 24.955 -4.793 18.808 1 15.17 ? CB ALA 56 H 1 
ATOM 603 N N HIS 43 . . B 2 22.567 -7.149 18.452 1 19.16 ? N HIS 57 H 1 
ATOM 604 C CA HIS 43 . . B 2 22.48 -8.53 17.922 1 20.49 ? CA HIS 57 H 1 
ATOM 605 C C HIS 43 . . B 2 21.747 -8.541 16.602 1 22.53 ? C HIS 57 H 1 
ATOM 606 O O HIS 43 . . B 2 22.047 -9.503 15.823 1 23.53 ? O HIS 57 H 1 
ATOM 607 C CB HIS 43 . . B 2 22.061 -9.53 18.995 1 17.36 ? CB HIS 57 H 1 
ATOM 608 C CG HIS 43 . . B 2 20.553 -9.555 19.058 1 17.78 ? CG HIS 57 H 1 
ATOM 609 N ND1 HIS 43 . . B 2 19.845 -8.911 20.051 1 16.7 ? ND1 HIS 57 H 1 
ATOM 610 C CD2 HIS 43 . . B 2 19.684 -10.156 18.205 1 15.97 ? CD2 HIS 57 H 1 
ATOM 611 C CE1 HIS 43 . . B 2 18.543 -9.111 19.837 1 14.85 ? CE1 HIS 57 H 1 
ATOM 612 N NE2 HIS 43 . . B 2 18.447 -9.788 18.7 1 18.11 ? NE2 HIS 57 H 1 
ATOM 613 N N CYS 44 . . B 2 20.953 -7.579 16.173 1 21.52 ? N CYS 58 H 1 
ATOM 614 C CA CYS 44 . . B 2 20.372 -7.518 14.827 1 22.26 ? CA CYS 58 H 1 
ATOM 615 C C CYS 44 . . B 2 21.406 -7.47 13.702 1 23.86 ? C CYS 58 H 1 
ATOM 616 O O CYS 44 . . B 2 21.257 -7.936 12.509 1 24.85 ? O CYS 58 H 1 
ATOM 617 C CB CYS 44 . . B 2 19.497 -6.245 14.779 1 21.61 ? CB CYS 58 H 1 
ATOM 618 S SG CYS 44 . . B 2 18.001 -6.459 15.843 1 25.26 ? SG CYS 58 H 1 
ATOM 619 N N LEU 45 . . B 2 22.579 -6.964 14.063 1 23.46 ? N LEU 59 H 1 
ATOM 620 C CA LEU 45 . . B 2 23.679 -6.748 13.08 1 23.96 ? CA LEU 59 H 1 
ATOM 621 C C LEU 45 . . B 2 24.789 -7.778 13.166 1 24.51 ? C LEU 59 H 1 
ATOM 622 O O LEU 45 . . B 2 25.204 -8.235 12.094 1 24.36 ? O LEU 59 H 1 
ATOM 623 C CB LEU 45 . . B 2 24.16 -5.283 13.369 1 24.9 ? CB LEU 59 H 1 
ATOM 624 C CG LEU 45 . . B 2 23.048 -4.199 13.445 1 26.66 ? CG LEU 59 H 1 
ATOM 625 C CD1 LEU 45 . . B 2 23.32 -2.92 14.213 1 23.16 ? CD1 LEU 59 H 1 
ATOM 626 C CD2 LEU 45 . . B 2 22.714 -3.877 11.97 1 23.55 ? CD2 LEU 59 H 1 
ATOM 627 N N LEU 46 . . B 2 25.218 -8.237 14.334 1 24.55 ? N LEU 60 H 1 
ATOM 628 C CA LEU 46 . . B 2 26.325 -9.135 14.631 1 24.3 ? CA LEU 60 H 1 
ATOM 629 C C LEU 46 . . B 2 26.011 -10.207 15.694 1 25.82 ? C LEU 60 H 1 
ATOM 630 O O LEU 46 . . B 2 25.676 -9.949 16.852 1 24.9 ? O LEU 60 H 1 
ATOM 631 C CB LEU 46 . . B 2 27.432 -8.245 15.194 1 27.72 ? CB LEU 60 H 1 
ATOM 632 C CG LEU 46 . . B 2 28.815 -8.843 15.396 1 27.63 ? CG LEU 60 H 1 
ATOM 633 C CD1 LEU 46 . . B 2 29.307 -9.527 14.148 1 28.86 ? CD1 LEU 60 H 1 
ATOM 634 C CD2 LEU 46 . . B 2 29.726 -7.692 15.776 1 27.29 ? CD2 LEU 60 H 1 
ATOM 635 N N TYR 47 . A B 2 26.26 -11.444 15.279 1 26.04 ? N TYR 60 H 1 
ATOM 636 C CA TYR 47 . A B 2 25.978 -12.607 16.15 1 26.6 ? CA TYR 60 H 1 
ATOM 637 C C TYR 47 . A B 2 26.831 -13.707 15.513 1 27.79 ? C TYR 60 H 1 
ATOM 638 O O TYR 47 . A B 2 26.403 -14.432 14.628 1 28.2 ? O TYR 60 H 1 
ATOM 639 C CB TYR 47 . A B 2 24.479 -12.858 16.056 1 27.3 ? CB TYR 60 H 1 
ATOM 640 C CG TYR 47 . A B 2 24.256 -13.794 17.239 1 29.26 ? CG TYR 60 H 1 
ATOM 641 C CD1 TYR 47 . A B 2 24.697 -13.37 18.494 1 29.53 ? CD1 TYR 60 H 1 
ATOM 642 C CD2 TYR 47 . A B 2 23.714 -15.07 17.08 1 29.98 ? CD2 TYR 60 H 1 
ATOM 643 C CE1 TYR 47 . A B 2 24.593 -14.21 19.594 1 33.09 ? CE1 TYR 60 H 1 
ATOM 644 C CE2 TYR 47 . A B 2 23.612 -15.92 18.184 1 33.14 ? CE2 TYR 60 H 1 
ATOM 645 C CZ TYR 47 . A B 2 24.052 -15.487 19.442 1 35.35 ? CZ TYR 60 H 1 
ATOM 646 O OH TYR 47 . A B 2 23.95 -16.306 20.517 1 37.73 ? OH TYR 60 H 1 
ATOM 647 N N PRO 48 . B B 2 28.11 -13.603 15.809 1 28.35 ? N PRO 60 H 1 
ATOM 648 C CA PRO 48 . B B 2 29.126 -14.405 15.137 1 29.92 ? CA PRO 60 H 1 
ATOM 649 C C PRO 48 . B B 2 28.855 -15.906 15.171 1 30.73 ? C PRO 60 H 1 
ATOM 650 O O PRO 48 . B B 2 29.192 -16.617 14.19 1 32.16 ? O PRO 60 H 1 
ATOM 651 C CB PRO 48 . B B 2 30.411 -13.927 15.779 1 29.5 ? CB PRO 60 H 1 
ATOM 652 C CG PRO 48 . B B 2 30.112 -12.78 16.67 1 28.27 ? CG PRO 60 H 1 
ATOM 653 C CD PRO 48 . B B 2 28.63 -12.685 16.832 1 28.31 ? CD PRO 60 H 1 
ATOM 654 N N PRO 49 . C B 2 28.237 -16.33 16.247 1 30.14 ? N PRO 60 H 1 
ATOM 655 C CA PRO 49 . C B 2 27.889 -17.68 16.541 1 30.94 ? CA PRO 60 H 1 
ATOM 656 C C PRO 49 . C B 2 26.9 -18.323 15.62 1 32.89 ? C PRO 60 H 1 
ATOM 657 O O PRO 49 . C B 2 26.607 -19.542 15.829 1 35.31 ? O PRO 60 H 1 
ATOM 658 C CB PRO 49 . C B 2 27.198 -17.701 17.901 1 30.46 ? CB PRO 60 H 1 
ATOM 659 C CG PRO 49 . C B 2 27.323 -16.358 18.461 1 30.98 ? CG PRO 60 H 1 
ATOM 660 C CD PRO 49 . C B 2 27.946 -15.463 17.391 1 31.37 ? CD PRO 60 H 1 
ATOM 661 N N TRP 50 . D B 2 26.083 -17.508 15.006 1 33.01 ? N TRP 60 H 1 
ATOM 662 C CA TRP 50 . D B 2 25.103 -17.998 14.056 1 31.58 ? CA TRP 60 H 1 
ATOM 663 C C TRP 50 . D B 2 25.75 -17.357 12.825 1 32.03 ? C TRP 60 H 1 
ATOM 664 O O TRP 50 . D B 2 24.91 -16.775 12.12 1 34.93 ? O TRP 60 H 1 
ATOM 665 C CB TRP 50 . D B 2 23.715 -17.494 14.089 1 31.11 ? CB TRP 60 H 1 
ATOM 666 C CG TRP 50 . D B 2 22.817 -18.069 15.16 1 33.16 ? CG TRP 60 H 1 
ATOM 667 C CD1 TRP 50 . D B 2 23.086 -19.069 16.003 1 35.99 ? CD1 TRP 60 H 1 
ATOM 668 C CD2 TRP 50 . D B 2 21.509 -17.598 15.415 1 35.86 ? CD2 TRP 60 H 1 
ATOM 669 N NE1 TRP 50 . D B 2 21.931 -19.226 16.834 1 36.66 ? NE1 TRP 60 H 1 
ATOM 670 C CE2 TRP 50 . D B 2 21.02 -18.346 16.476 1 37.39 ? CE2 TRP 60 H 1 
ATOM 671 C CE3 TRP 50 . D B 2 20.708 -16.599 14.851 1 38.58 ? CE3 TRP 60 H 1 
ATOM 672 C CZ2 TRP 50 . D B 2 19.753 -18.138 17.034 1 41.07 ? CZ2 TRP 60 H 1 
ATOM 673 C CZ3 TRP 50 . D B 2 19.43 -16.403 15.413 1 41.97 ? CZ3 TRP 60 H 1 
ATOM 674 C CH2 TRP 50 . D B 2 18.977 -17.135 16.456 1 40.99 ? CH2 TRP 60 H 1 
ATOM 675 N N ASP 51 . E B 2 27.004 -17.037 12.882 1 32.27 ? N ASP 60 H 1 
ATOM 676 C CA ASP 51 . E B 2 27.537 -16.444 11.607 1 32.73 ? CA ASP 60 H 1 
ATOM 677 C C ASP 51 . E B 2 26.999 -15.153 11.036 1 31.94 ? C ASP 60 H 1 
ATOM 678 O O ASP 51 . E B 2 27.269 -14.866 9.856 1 32.06 ? O ASP 60 H 1 
ATOM 679 C CB ASP 51 . E B 2 27.138 -17.554 10.62 1 34.09 ? CB ASP 60 H 1 
ATOM 680 C CG ASP 51 . E B 2 28.257 -18.597 10.764 1 38.57 ? CG ASP 60 H 1 
ATOM 681 O OD1 ASP 51 . E B 2 29.358 -18.096 10.481 1 39.82 ? OD1 ASP 60 H 1 
ATOM 682 O OD2 ASP 51 . E B 2 27.942 -19.738 11.142 1 41.33 ? OD2 ASP 60 H 1 
ATOM 683 N N LYS 52 . F B 2 26.234 -14.421 11.811 1 32.69 ? N LYS 60 H 1 
ATOM 684 C CA LYS 52 . F B 2 25.635 -13.114 11.448 1 31.53 ? CA LYS 60 H 1 
ATOM 685 C C LYS 52 . F B 2 26.511 -11.897 11.799 1 31.7 ? C LYS 60 H 1 
ATOM 686 O O LYS 52 . F B 2 26.975 -11.577 12.918 1 31.12 ? O LYS 60 H 1 
ATOM 687 C CB LYS 52 . F B 2 24.262 -12.98 12.057 1 26.69 ? CB LYS 60 H 1 
ATOM 688 C CG LYS 52 . F B 2 23.994 -11.487 12.133 1 26.03 ? CG LYS 60 H 1 
ATOM 689 C CD LYS 52 . F B 2 22.522 -11.308 12.159 1 27.53 ? CD LYS 60 H 1 
ATOM 690 C CE LYS 52 . F B 2 21.749 -12.31 12.967 1 25.02 ? CE LYS 60 H 1 
ATOM 691 N NZ LYS 52 . F B 2 20.715 -11.47 13.665 1 26.21 ? NZ LYS 60 H 1 
ATOM 692 N N ASN 53 . G B 2 26.729 -11.175 10.701 1 32.53 ? N ASN 60 H 1 
ATOM 693 C CA ASN 53 . G B 2 27.514 -9.983 10.546 1 32.32 ? CA ASN 60 H 1 
ATOM 694 C C ASN 53 . G B 2 27.005 -9.065 9.437 1 33.04 ? C ASN 60 H 1 
ATOM 695 O O ASN 53 . G B 2 27.75 -8.94 8.437 1 33.54 ? O ASN 60 H 1 
ATOM 696 C CB ASN 53 . G B 2 28.997 -10.256 10.235 1 35.07 ? CB ASN 60 H 1 
ATOM 697 C CG ASN 53 . G B 2 29.689 -8.923 10.422 1 39.08 ? CG ASN 60 H 1 
ATOM 698 O OD1 ASN 53 . G B 2 29.374 -8.298 11.462 1 43.6 ? OD1 ASN 60 H 1 
ATOM 699 N ND2 ASN 53 . G B 2 30.402 -8.341 9.469 1 41.53 ? ND2 ASN 60 H 1 
ATOM 700 N N PHE 54 . H B 2 25.877 -8.43 9.643 1 32.77 ? N PHE 60 H 1 
ATOM 701 C CA PHE 54 . H B 2 25.377 -7.458 8.628 1 34.02 ? CA PHE 60 H 1 
ATOM 702 C C PHE 54 . H B 2 26.23 -6.191 8.539 1 35.49 ? C PHE 60 H 1 
ATOM 703 O O PHE 54 . H B 2 26.598 -5.489 9.48 1 36.4 ? O PHE 60 H 1 
ATOM 704 C CB PHE 54 . H B 2 23.91 -7.123 8.87 1 26.73 ? CB PHE 60 H 1 
ATOM 705 C CG PHE 54 . H B 2 23.032 -8.356 8.717 1 21.75 ? CG PHE 60 H 1 
ATOM 706 C CD1 PHE 54 . H B 2 23.137 -9.132 7.561 1 21.25 ? CD1 PHE 60 H 1 
ATOM 707 C CD2 PHE 54 . H B 2 22.136 -8.71 9.728 1 20.35 ? CD2 PHE 60 H 1 
ATOM 708 C CE1 PHE 54 . H B 2 22.348 -10.273 7.414 1 22.3 ? CE1 PHE 60 H 1 
ATOM 709 C CE2 PHE 54 . H B 2 21.346 -9.855 9.584 1 20.01 ? CE2 PHE 60 H 1 
ATOM 710 C CZ PHE 54 . H B 2 21.453 -10.637 8.427 1 19.38 ? CZ PHE 60 H 1 
ATOM 711 N N THR 55 . I B 2 26.595 -5.869 7.343 1 37.9 ? N THR 60 H 1 
ATOM 712 C CA THR 55 . I B 2 27.323 -4.68 6.834 1 40.03 ? CA THR 60 H 1 
ATOM 713 C C THR 55 . I B 2 26.274 -3.66 6.362 1 40.81 ? C THR 60 H 1 
ATOM 714 O O THR 55 . I B 2 25.038 -3.883 6.253 1 39.99 ? O THR 60 H 1 
ATOM 715 C CB THR 55 . I B 2 28.327 -5.246 5.768 1 40.89 ? CB THR 60 H 1 
ATOM 716 O OG1 THR 55 . I B 2 28.336 -4.494 4.53 1 43.48 ? OG1 THR 60 H 1 
ATOM 717 C CG2 THR 55 . I B 2 27.864 -6.71 5.477 1 41.88 ? CG2 THR 60 H 1 
ATOM 718 N N GLU 56 . . B 2 26.787 -2.457 6.159 1 41.55 ? N GLU 61 H 1 
ATOM 719 C CA GLU 56 . . B 2 26.017 -1.278 5.732 1 42.68 ? CA GLU 61 H 1 
ATOM 720 C C GLU 56 . . B 2 25.256 -1.414 4.435 1 42.67 ? C GLU 61 H 1 
ATOM 721 O O GLU 56 . . B 2 24.058 -1.031 4.369 1 43.02 ? O GLU 61 H 1 
ATOM 722 C CB GLU 56 . . B 2 26.997 -0.079 5.697 1 43.41 ? CB GLU 61 H 1 
ATOM 723 C CG GLU 56 . . B 2 28.291 -0.458 6.449 1 47.12 ? CG GLU 61 H 1 
ATOM 724 C CD GLU 56 . . B 2 28.771 0.508 7.488 1 49.33 ? CD GLU 61 H 1 
ATOM 725 O OE1 GLU 56 . . B 2 28.072 1.191 8.238 1 50 ? OE1 GLU 61 H 1 
ATOM 726 O OE2 GLU 56 . . B 2 30.027 0.599 7.551 1 50 ? OE2 GLU 61 H 1 
ATOM 727 N N ASN 57 . . B 2 25.82 -1.899 3.333 1 42.41 ? N ASN 62 H 1 
ATOM 728 C CA ASN 57 . . B 2 24.984 -2.028 2.149 1 42.03 ? CA ASN 62 H 1 
ATOM 729 C C ASN 57 . . B 2 24.318 -3.393 2.091 1 40.59 ? C ASN 62 H 1 
ATOM 730 O O ASN 57 . . B 2 24.133 -3.863 0.984 1 40.38 ? O ASN 62 H 1 
ATOM 731 C CB ASN 57 . . B 2 25.747 -1.865 0.851 1 49.01 ? CB ASN 62 H 1 
ATOM 732 C CG ASN 57 . . B 2 27.084 -2.601 0.949 1 50 ? CG ASN 62 H 1 
ATOM 733 O OD1 ASN 57 . . B 2 28.038 -1.806 0.711 1 50 ? OD1 ASN 62 H 1 
ATOM 734 N ND2 ASN 57 . . B 2 26.982 -3.92 1.174 1 50 ? ND2 ASN 62 H 1 
ATOM 735 N N ASP 58 . . B 2 24.066 -3.949 3.221 1 39.87 ? N ASP 63 H 1 
ATOM 736 C CA ASP 58 . . B 2 23.402 -5.252 3.304 1 38.41 ? CA ASP 63 H 1 
ATOM 737 C C ASP 58 . . B 2 21.908 -5.043 3.578 1 36.33 ? C ASP 63 H 1 
ATOM 738 O O ASP 58 . . B 2 21.178 -5.995 3.354 1 35.39 ? O ASP 63 H 1 
ATOM 739 C CB ASP 58 . . B 2 23.984 -6.102 4.429 1 40.03 ? CB ASP 63 H 1 
ATOM 740 C CG ASP 58 . . B 2 25.234 -6.879 4.04 1 41.93 ? CG ASP 63 H 1 
ATOM 741 O OD1 ASP 58 . . B 2 26.129 -6.218 3.433 1 44.56 ? OD1 ASP 63 H 1 
ATOM 742 O OD2 ASP 58 . . B 2 25.286 -8.061 4.38 1 39.51 ? OD2 ASP 63 H 1 
ATOM 743 N N LEU 59 . . B 2 21.698 -3.871 4.16 1 36.27 ? N LEU 64 H 1 
ATOM 744 C CA LEU 59 . . B 2 20.437 -3.352 4.676 1 34.53 ? CA LEU 64 H 1 
ATOM 745 C C LEU 59 . . B 2 19.8 -2.057 4.173 1 32.95 ? C LEU 64 H 1 
ATOM 746 O O LEU 59 . . B 2 20.565 -1.125 3.802 1 34.03 ? O LEU 64 H 1 
ATOM 747 C CB LEU 59 . . B 2 20.836 -2.983 6.17 1 34.81 ? CB LEU 64 H 1 
ATOM 748 C CG LEU 59 . . B 2 21.639 -4.081 6.848 1 31.7 ? CG LEU 64 H 1 
ATOM 749 C CD1 LEU 59 . . B 2 22.402 -3.567 8.027 1 32.94 ? CD1 LEU 64 H 1 
ATOM 750 C CD2 LEU 59 . . B 2 20.559 -5.098 7.235 1 33.68 ? CD2 LEU 64 H 1 
ATOM 751 N N LEU 60 . . B 2 18.512 -1.948 4.431 1 28.78 ? N LEU 65 H 1 
ATOM 752 C CA LEU 60 . . B 2 17.814 -0.689 4.213 1 28.98 ? CA LEU 65 H 1 
ATOM 753 C C LEU 60 . . B 2 17.057 -0.363 5.52 1 27.85 ? C LEU 65 H 1 
ATOM 754 O O LEU 60 . . B 2 16.473 -1.366 5.944 1 28.6 ? O LEU 65 H 1 
ATOM 755 C CB LEU 60 . . B 2 16.698 -0.72 3.16 1 27.49 ? CB LEU 65 H 1 
ATOM 756 C CG LEU 60 . . B 2 16.914 -0.368 1.719 1 24.67 ? CG LEU 65 H 1 
ATOM 757 C CD1 LEU 60 . . B 2 18.352 -0.035 1.389 1 20.02 ? CD1 LEU 65 H 1 
ATOM 758 C CD2 LEU 60 . . B 2 16.406 -1.607 0.95 1 24.81 ? CD2 LEU 65 H 1 
ATOM 759 N N VAL 61 . . B 2 16.726 0.887 5.767 1 26.74 ? N VAL 66 H 1 
ATOM 760 C CA VAL 61 . . B 2 15.828 1.145 6.914 1 24.86 ? CA VAL 66 H 1 
ATOM 761 C C VAL 61 . . B 2 14.563 1.648 6.234 1 25.1 ? C VAL 66 H 1 
ATOM 762 O O VAL 61 . . B 2 14.784 2.29 5.219 1 24.95 ? O VAL 66 H 1 
ATOM 763 C CB VAL 61 . . B 2 16.407 2.091 7.988 1 24.14 ? CB VAL 66 H 1 
ATOM 764 C CG1 VAL 61 . . B 2 17.294 1.268 8.974 1 22.35 ? CG1 VAL 66 H 1 
ATOM 765 C CG2 VAL 61 . . B 2 17.256 3.198 7.45 1 14.63 ? CG2 VAL 66 H 1 
ATOM 766 N N ARG 62 . . B 2 13.414 1.26 6.67 1 24.64 ? N ARG 67 H 1 
ATOM 767 C CA ARG 62 . . B 2 12.157 1.747 6.182 1 25.44 ? CA ARG 67 H 1 
ATOM 768 C C ARG 62 . . B 2 11.425 2.543 7.28 1 25.96 ? C ARG 67 H 1 
ATOM 769 O O ARG 62 . . B 2 11.05 1.817 8.269 1 26.14 ? O ARG 67 H 1 
ATOM 770 C CB ARG 62 . . B 2 11.34 0.514 5.896 1 24.74 ? CB ARG 67 H 1 
ATOM 771 C CG ARG 62 . . B 2 11.689 -0.387 4.685 1 29.44 ? CG ARG 67 H 1 
ATOM 772 C CD ARG 62 . . B 2 10.259 -0.941 4.406 1 30.02 ? CD ARG 67 H 1 
ATOM 773 N NE ARG 62 . . B 2 10.37 -1.802 3.287 1 32.27 ? NE ARG 67 H 1 
ATOM 774 C CZ ARG 62 . . B 2 9.367 -2.218 2.54 1 34.39 ? CZ ARG 67 H 1 
ATOM 775 N NH1 ARG 62 . . B 2 8.163 -1.748 2.763 1 33.63 ? NH1 ARG 67 H 1 
ATOM 776 N NH2 ARG 62 . . B 2 9.592 -3.101 1.569 1 37.22 ? NH2 ARG 67 H 1 
ATOM 777 N N ILE 63 . . B 2 11.067 3.821 7.126 1 24.56 ? N ILE 68 H 1 
ATOM 778 C CA ILE 63 . . B 2 10.342 4.532 8.2 1 23.76 ? CA ILE 68 H 1 
ATOM 779 C C ILE 63 . . B 2 8.984 5.018 7.781 1 24.63 ? C ILE 68 H 1 
ATOM 780 O O ILE 63 . . B 2 8.837 5.576 6.72 1 25.05 ? O ILE 68 H 1 
ATOM 781 C CB ILE 63 . . B 2 11.249 5.756 8.654 1 26.53 ? CB ILE 68 H 1 
ATOM 782 C CG1 ILE 63 . . B 2 12.716 5.296 8.562 1 26.98 ? CG1 ILE 68 H 1 
ATOM 783 C CG2 ILE 63 . . B 2 10.866 6.384 10.034 1 24.43 ? CG2 ILE 68 H 1 
ATOM 784 C CD1 ILE 63 . . B 2 13.915 6.271 8.744 1 26.41 ? CD1 ILE 68 H 1 
ATOM 785 N N GLY 64 . . B 2 7.927 5.012 8.566 1 25.3 ? N GLY 69 H 1 
ATOM 786 C CA GLY 64 . . B 2 6.629 5.525 8.152 1 24.94 ? CA GLY 69 H 1 
ATOM 787 C C GLY 64 . . B 2 5.733 4.331 7.775 1 25.84 ? C GLY 69 H 1 
ATOM 788 O O GLY 64 . . B 2 4.542 4.601 7.472 1 25.3 ? O GLY 69 H 1 
ATOM 789 N N LYS 65 . . B 2 6.295 3.133 8.057 1 24.39 ? N LYS 70 H 1 
ATOM 790 C CA LYS 65 . . B 2 5.58 1.905 7.673 1 22.65 ? CA LYS 70 H 1 
ATOM 791 C C LYS 65 . . B 2 4.483 1.653 8.7 1 22.57 ? C LYS 70 H 1 
ATOM 792 O O LYS 65 . . B 2 4.622 2.242 9.763 1 21.03 ? O LYS 70 H 1 
ATOM 793 C CB LYS 65 . . B 2 6.409 0.639 7.565 1 21.16 ? CB LYS 70 H 1 
ATOM 794 C CG LYS 65 . . B 2 7.548 0.641 6.553 1 22.1 ? CG LYS 70 H 1 
ATOM 795 C CD LYS 65 . . B 2 7.754 -0.707 5.835 1 21.49 ? CD LYS 70 H 1 
ATOM 796 C CE LYS 65 . . B 2 6.339 -1.337 5.629 1 21.57 ? CE LYS 70 H 1 
ATOM 797 N NZ LYS 65 . . B 2 5.773 -0.672 4.344 1 21.3 ? NZ LYS 70 H 1 
ATOM 798 N N HIS 66 . . B 2 3.469 0.918 8.3 1 22.65 ? N HIS 71 H 1 
ATOM 799 C CA HIS 66 . . B 2 2.358 0.498 9.188 1 23.09 ? CA HIS 71 H 1 
ATOM 800 C C HIS 66 . . B 2 2.159 -0.987 8.797 1 23.89 ? C HIS 71 H 1 
ATOM 801 O O HIS 66 . . B 2 2.349 -2.005 9.463 1 24.17 ? O HIS 71 H 1 
ATOM 802 C CB HIS 66 . . B 2 1.075 1.3 8.94 1 24.13 ? CB HIS 71 H 1 
ATOM 803 C CG HIS 66 . . B 2 -0.094 0.926 9.785 1 19.83 ? CG HIS 71 H 1 
ATOM 804 N ND1 HIS 66 . . B 2 -0.087 0.983 11.128 1 20.41 ? ND1 HIS 71 H 1 
ATOM 805 C CD2 HIS 66 . . B 2 -1.286 0.359 9.52 1 21.23 ? CD2 HIS 71 H 1 
ATOM 806 C CE1 HIS 66 . . B 2 -1.142 0.448 11.705 1 18.4 ? CE1 HIS 71 H 1 
ATOM 807 N NE2 HIS 66 . . B 2 -1.965 0.241 10.716 1 19.22 ? NE2 HIS 71 H 1 
ATOM 808 N N SER 67 . . B 2 2.04 -1.168 7.482 1 24.97 ? N SER 72 H 1 
ATOM 809 C CA SER 67 . . B 2 1.888 -2.536 6.922 1 25.38 ? CA SER 72 H 1 
ATOM 810 C C SER 67 . . B 2 3.251 -3.233 7.031 1 24.79 ? C SER 72 H 1 
ATOM 811 O O SER 67 . . B 2 4.141 -2.675 6.387 1 24.75 ? O SER 72 H 1 
ATOM 812 C CB SER 67 . . B 2 1.353 -2.615 5.496 1 23.3 ? CB SER 72 H 1 
ATOM 813 O OG SER 67 . . B 2 1.618 -3.851 4.824 1 28.12 ? OG SER 72 H 1 
ATOM 814 N N ARG 68 . . B 2 3.178 -4.494 7.431 1 25.93 ? N ARG 73 H 1 
ATOM 815 C CA ARG 68 . . B 2 4.346 -5.36 7.522 1 26.6 ? CA ARG 73 H 1 
ATOM 816 C C ARG 68 . . B 2 5.027 -5.615 6.194 1 27.43 ? C ARG 73 H 1 
ATOM 817 O O ARG 68 . . B 2 6.197 -5.229 6.098 1 29.21 ? O ARG 73 H 1 
ATOM 818 C CB ARG 68 . . B 2 4.104 -6.722 8.17 1 26.91 ? CB ARG 73 H 1 
ATOM 819 C CG ARG 68 . . B 2 5.451 -7.545 8.09 1 27.85 ? CG ARG 73 H 1 
ATOM 820 C CD ARG 68 . . B 2 5.295 -8.644 9.086 1 29.37 ? CD ARG 73 H 1 
ATOM 821 N NE ARG 68 . . B 2 4.073 -9.394 8.721 1 31.9 ? NE ARG 73 H 1 
ATOM 822 C CZ ARG 68 . . B 2 4.124 -10.268 7.676 1 33.8 ? CZ ARG 73 H 1 
ATOM 823 N NH1 ARG 68 . . B 2 5.241 -10.749 7.146 1 31.17 ? NH1 ARG 73 H 1 
ATOM 824 N NH2 ARG 68 . . B 2 3.054 -10.885 7.117 1 35.3 ? NH2 ARG 73 H 1 
ATOM 825 N N THR 69 . . B 2 4.294 -6.046 5.182 1 28.86 ? N THR 74 H 1 
ATOM 826 C CA THR 69 . . B 2 4.884 -6.391 3.868 1 29.3 ? CA THR 74 H 1 
ATOM 827 C C THR 69 . . B 2 4.613 -5.499 2.648 1 30.29 ? C THR 74 H 1 
ATOM 828 O O THR 69 . . B 2 5.472 -5.291 1.738 1 29.27 ? O THR 74 H 1 
ATOM 829 C CB THR 69 . . B 2 4.308 -7.818 3.599 1 27.85 ? CB THR 74 H 1 
ATOM 830 O OG1 THR 69 . . B 2 2.923 -7.402 3.29 1 30.72 ? OG1 THR 74 H 1 
ATOM 831 C CG2 THR 69 . . B 2 4.204 -8.766 4.778 1 26.95 ? CG2 THR 74 H 1 
ATOM 832 N N ARG 70 . . B 2 3.563 -4.689 2.717 1 30.61 ? N ARG 75 H 1 
ATOM 833 C CA ARG 70 . . B 2 3.302 -3.794 1.589 1 32.09 ? CA ARG 75 H 1 
ATOM 834 C C ARG 70 . . B 2 4.236 -2.638 1.451 1 31.58 ? C ARG 75 H 1 
ATOM 835 O O ARG 70 . . B 2 4.656 -2.112 2.485 1 32.39 ? O ARG 75 H 1 
ATOM 836 C CB ARG 70 . . B 2 1.837 -3.369 1.75 1 34.59 ? CB ARG 75 H 1 
ATOM 837 C CG ARG 70 . . B 2 1.077 -4.609 1.146 1 40.28 ? CG ARG 75 H 1 
ATOM 838 C CD ARG 70 . . B 2 1.188 -4.464 -0.35 1 42.25 ? CD ARG 75 H 1 
ATOM 839 N NE ARG 70 . . B 2 1.083 -5.733 -1.047 1 44.7 ? NE ARG 75 H 1 
ATOM 840 C CZ ARG 70 . . B 2 1.031 -5.835 -2.367 1 43.97 ? CZ ARG 75 H 1 
ATOM 841 N NH1 ARG 70 . . B 2 0.612 -4.8 -3.075 1 45.43 ? NH1 ARG 75 H 1 
ATOM 842 N NH2 ARG 70 . . B 2 1.158 -6.979 -3.033 1 43.99 ? NH2 ARG 75 H 1 
ATOM 843 N N TYR 71 . . B 2 4.465 -2.146 0.256 1 31.8 ? N TYR 76 H 1 
ATOM 844 C CA TYR 71 . . B 2 5.322 -0.935 0.104 1 32.3 ? CA TYR 76 H 1 
ATOM 845 C C TYR 71 . . B 2 4.386 0.266 0.175 1 31.91 ? C TYR 76 H 1 
ATOM 846 O O TYR 71 . . B 2 3.428 0.254 -0.629 1 32.01 ? O TYR 76 H 1 
ATOM 847 C CB TYR 71 . . B 2 6.092 -0.996 -1.208 1 36.83 ? CB TYR 76 H 1 
ATOM 848 C CG TYR 71 . . B 2 6.697 0.352 -1.582 1 39.86 ? CG TYR 76 H 1 
ATOM 849 C CD1 TYR 71 . . B 2 7.68 0.922 -0.766 1 41.19 ? CD1 TYR 76 H 1 
ATOM 850 C CD2 TYR 71 . . B 2 6.264 1.013 -2.734 1 38.71 ? CD2 TYR 76 H 1 
ATOM 851 C CE1 TYR 71 . . B 2 8.233 2.16 -1.106 1 41 ? CE1 TYR 76 H 1 
ATOM 852 C CE2 TYR 71 . . B 2 6.816 2.251 -3.073 1 38.22 ? CE2 TYR 76 H 1 
ATOM 853 C CZ TYR 71 . . B 2 7.799 2.824 -2.26 1 39.48 ? CZ TYR 76 H 1 
ATOM 854 O OH TYR 71 . . B 2 8.331 4.028 -2.592 1 39.95 ? OH TYR 76 H 1 
ATOM 855 N N GLU 72 . . B 2 4.427 1.059 1.217 1 31.06 ? N GLU 77 H 1 
ATOM 856 C CA GLU 72 . . B 2 3.462 2.168 1.414 1 30.27 ? CA GLU 77 H 1 
ATOM 857 C C GLU 72 . . B 2 3.945 3.405 0.672 1 31.98 ? C GLU 77 H 1 
ATOM 858 O O GLU 72 . . B 2 4.777 4.262 1.069 1 31.61 ? O GLU 77 H 1 
ATOM 859 C CB GLU 72 . . B 2 3.296 2.245 2.9 1 26.8 ? CB GLU 77 H 1 
ATOM 860 C CG GLU 72 . . B 2 2.52 1.112 3.536 1 25.18 ? CG GLU 77 H 1 
ATOM 861 C CD GLU 72 . . B 2 2.616 0.859 4.982 1 23.78 ? CD GLU 77 H 1 
ATOM 862 O OE1 GLU 72 . . B 2 3.79 0.483 5.288 1 24.47 ? OE1 GLU 77 H 1 
ATOM 863 O OE2 GLU 72 . . B 2 1.707 0.746 5.806 1 25.3 ? OE2 GLU 77 H 1 
ATOM 864 N N ARG 73 . A B 2 3.624 3.31 -0.611 1 32.07 ? N ARG 77 H 1 
ATOM 865 C CA ARG 73 . A B 2 3.951 4.126 -1.746 1 33.51 ? CA ARG 77 H 1 
ATOM 866 C C ARG 73 . A B 2 4.104 5.604 -1.473 1 34.89 ? C ARG 77 H 1 
ATOM 867 O O ARG 73 . A B 2 5.064 6.024 -2.222 1 38.36 ? O ARG 77 H 1 
ATOM 868 C CB ARG 73 . A B 2 3.062 3.964 -2.997 1 33.79 ? CB ARG 77 H 1 
ATOM 869 C CG ARG 73 . A B 2 3.586 4.881 -4.134 1 33.61 ? CG ARG 77 H 1 
ATOM 870 C CD ARG 73 . A B 2 3.242 4.254 -5.438 1 32.13 ? CD ARG 77 H 1 
ATOM 871 N NE ARG 73 . A B 2 1.911 3.63 -5.321 1 32.01 ? NE ARG 77 H 1 
ATOM 872 C CZ ARG 73 . A B 2 0.918 4.227 -6.012 1 33.29 ? CZ ARG 77 H 1 
ATOM 873 N NH1 ARG 73 . A B 2 1.236 5.329 -6.722 1 32.44 ? NH1 ARG 77 H 1 
ATOM 874 N NH2 ARG 73 . A B 2 -0.332 3.754 -6.039 1 31.44 ? NH2 ARG 77 H 1 
ATOM 875 N N ASN 74 . . B 2 3.287 6.383 -0.779 1 33.42 ? N ASN 78 H 1 
ATOM 876 C CA ASN 74 . . B 2 3.738 7.793 -0.583 1 31.74 ? CA ASN 78 H 1 
ATOM 877 C C ASN 74 . . B 2 3.709 8.175 0.899 1 31.79 ? C ASN 78 H 1 
ATOM 878 O O ASN 74 . . B 2 3.634 9.362 1.264 1 31.3 ? O ASN 78 H 1 
ATOM 879 C CB ASN 74 . . B 2 2.941 8.788 -1.395 1 32.14 ? CB ASN 78 H 1 
ATOM 880 C CG ASN 74 . . B 2 2.898 8.654 -2.889 1 30.3 ? CG ASN 78 H 1 
ATOM 881 O OD1 ASN 74 . . B 2 1.749 8.661 -3.369 1 32.59 ? OD1 ASN 78 H 1 
ATOM 882 N ND2 ASN 74 . . B 2 3.951 8.534 -3.692 1 31.5 ? ND2 ASN 78 H 1 
ATOM 883 N N ILE 75 . . B 2 3.778 7.176 1.756 1 31.15 ? N ILE 79 H 1 
ATOM 884 C CA ILE 75 . . B 2 3.781 7.245 3.189 1 29.56 ? CA ILE 79 H 1 
ATOM 885 C C ILE 75 . . B 2 5.158 6.869 3.717 1 29.2 ? C ILE 79 H 1 
ATOM 886 O O ILE 75 . . B 2 5.809 7.838 4.191 1 27.15 ? O ILE 79 H 1 
ATOM 887 C CB ILE 75 . . B 2 2.512 6.709 3.885 1 30.17 ? CB ILE 79 H 1 
ATOM 888 C CG1 ILE 75 . . B 2 2.853 5.603 4.883 1 32.43 ? CG1 ILE 79 H 1 
ATOM 889 C CG2 ILE 75 . . B 2 1.304 6.308 3.01 1 31.28 ? CG2 ILE 79 H 1 
ATOM 890 C CD1 ILE 75 . . B 2 3.063 6.054 6.354 1 36.07 ? CD1 ILE 79 H 1 
ATOM 891 N N GLU 76 . . B 2 5.769 5.741 3.378 1 29.04 ? N GLU 80 H 1 
ATOM 892 C CA GLU 76 . . B 2 7.078 5.333 3.968 1 27.91 ? CA GLU 80 H 1 
ATOM 893 C C GLU 76 . . B 2 8.264 5.85 3.204 1 27.97 ? C GLU 80 H 1 
ATOM 894 O O GLU 76 . . B 2 7.984 6.231 2.043 1 29.03 ? O GLU 80 H 1 
ATOM 895 C CB GLU 76 . . B 2 7.168 3.799 3.96 1 30.5 ? CB GLU 80 H 1 
ATOM 896 C CG GLU 76 . . B 2 7.521 3.127 2.641 1 29.09 ? CG GLU 80 H 1 
ATOM 897 C CD GLU 76 . . B 2 7.722 1.616 2.627 1 30.79 ? CD GLU 80 H 1 
ATOM 898 O OE1 GLU 76 . . B 2 6.821 0.801 2.685 1 25.61 ? OE1 GLU 80 H 1 
ATOM 899 O OE2 GLU 76 . . B 2 8.96 1.361 2.598 1 28.08 ? OE2 GLU 80 H 1 
ATOM 900 N N LYS 77 . . B 2 9.423 6.039 3.797 1 27.69 ? N LYS 81 H 1 
ATOM 901 C CA LYS 77 . . B 2 10.647 6.491 3.137 1 28.4 ? CA LYS 81 H 1 
ATOM 902 C C LYS 77 . . B 2 11.756 5.482 3.487 1 28.89 ? C LYS 81 H 1 
ATOM 903 O O LYS 77 . . B 2 11.796 4.939 4.599 1 28.44 ? O LYS 81 H 1 
ATOM 904 C CB LYS 77 . . B 2 11.119 7.888 3.427 1 33.22 ? CB LYS 81 H 1 
ATOM 905 C CG LYS 77 . . B 2 10.293 9.023 2.78 1 38.44 ? CG LYS 81 H 1 
ATOM 906 C CD LYS 77 . . B 2 9.404 9.684 3.829 1 43.81 ? CD LYS 81 H 1 
ATOM 907 C CE LYS 77 . . B 2 9.125 11.184 3.673 1 45.81 ? CE LYS 81 H 1 
ATOM 908 N NZ LYS 77 . . B 2 8.651 11.781 4.969 1 46.46 ? NZ LYS 81 H 1 
ATOM 909 N N ILE 78 . . B 2 12.514 5.075 2.525 1 28.2 ? N ILE 82 H 1 
ATOM 910 C CA ILE 78 . . B 2 13.575 4.071 2.627 1 29.87 ? CA ILE 82 H 1 
ATOM 911 C C ILE 78 . . B 2 14.951 4.743 2.628 1 31.08 ? C ILE 82 H 1 
ATOM 912 O O ILE 78 . . B 2 14.982 5.79 1.911 1 33.11 ? O ILE 82 H 1 
ATOM 913 C CB ILE 78 . . B 2 13.347 3.126 1.415 1 29.2 ? CB ILE 82 H 1 
ATOM 914 C CG1 ILE 78 . . B 2 11.841 2.778 1.389 1 26.43 ? CG1 ILE 82 H 1 
ATOM 915 C CG2 ILE 78 . . B 2 14.218 1.844 1.492 1 31.25 ? CG2 ILE 82 H 1 
ATOM 916 C CD1 ILE 78 . . B 2 11.579 1.55 0.456 1 28.09 ? CD1 ILE 82 H 1 
ATOM 917 N N SER 79 . . B 2 15.885 4.401 3.465 1 29.48 ? N SER 83 H 1 
ATOM 918 C CA SER 79 . . B 2 17.182 5.066 3.416 1 31.25 ? CA SER 83 H 1 
ATOM 919 C C SER 79 . . B 2 18.294 4.043 3.515 1 33.29 ? C SER 83 H 1 
ATOM 920 O O SER 79 . . B 2 18.068 2.875 3.901 1 33.69 ? O SER 83 H 1 
ATOM 921 C CB SER 79 . . B 2 17.378 6.133 4.449 1 29.47 ? CB SER 83 H 1 
ATOM 922 O OG SER 79 . . B 2 16.051 6.474 4.847 1 31.22 ? OG SER 83 H 1 
ATOM 923 N N MET 80 . . B 2 19.392 4.533 2.973 1 35.37 ? N MET 84 H 1 
ATOM 924 C CA MET 80 . . B 2 20.625 3.726 2.902 1 36.99 ? CA MET 84 H 1 
ATOM 925 C C MET 80 . . B 2 21.389 4.233 4.149 1 35.96 ? C MET 84 H 1 
ATOM 926 O O MET 80 . . B 2 21.191 5.391 4.515 1 35.69 ? O MET 84 H 1 
ATOM 927 C CB MET 80 . . B 2 21.463 3.934 1.674 1 41.62 ? CB MET 84 H 1 
ATOM 928 C CG MET 80 . . B 2 20.732 4.041 0.363 1 47.09 ? CG MET 84 H 1 
ATOM 929 S SD MET 80 . . B 2 21.199 2.627 -0.679 1 50 ? SD MET 84 H 1 
ATOM 930 C CE MET 80 . . B 2 19.675 1.607 -0.634 1 47.09 ? CE MET 84 H 1 
ATOM 931 N N LEU 81 . . B 2 22.263 3.351 4.587 1 35.52 ? N LEU 85 H 1 
ATOM 932 C CA LEU 81 . . B 2 23.096 3.69 5.757 1 35.11 ? CA LEU 85 H 1 
ATOM 933 C C LEU 81 . . B 2 24.511 3.989 5.235 1 34.53 ? C LEU 85 H 1 
ATOM 934 O O LEU 81 . . B 2 25.054 3.434 4.284 1 34.1 ? O LEU 85 H 1 
ATOM 935 C CB LEU 81 . . B 2 23.092 2.633 6.881 1 30.69 ? CB LEU 85 H 1 
ATOM 936 C CG LEU 81 . . B 2 21.781 1.891 6.997 1 28.23 ? CG LEU 85 H 1 
ATOM 937 C CD1 LEU 81 . . B 2 22.05 0.474 7.463 1 28 ? CD1 LEU 85 H 1 
ATOM 938 C CD2 LEU 81 . . B 2 20.863 2.621 7.961 1 28.63 ? CD2 LEU 85 H 1 
ATOM 939 N N GLU 82 . . B 2 25.011 4.878 6.055 1 36.24 ? N GLU 86 H 1 
ATOM 940 C CA GLU 82 . . B 2 26.346 5.419 5.909 1 38.28 ? CA GLU 86 H 1 
ATOM 941 C C GLU 82 . . B 2 27.264 4.67 6.876 1 38.3 ? C GLU 86 H 1 
ATOM 942 O O GLU 82 . . B 2 28.396 4.37 6.471 1 40.52 ? O GLU 86 H 1 
ATOM 943 C CB GLU 82 . . B 2 26.376 6.906 6.244 1 37.66 ? CB GLU 86 H 1 
ATOM 944 C CG GLU 82 . . B 2 27.392 7.701 5.426 1 44.13 ? CG GLU 86 H 1 
ATOM 945 C CD GLU 82 . . B 2 27.615 9.078 6 1 47.43 ? CD GLU 86 H 1 
ATOM 946 O OE1 GLU 82 . . B 2 28.504 9.022 6.896 1 49.17 ? OE1 GLU 86 H 1 
ATOM 947 O OE2 GLU 82 . . B 2 26.905 10.043 5.704 1 49.34 ? OE2 GLU 86 H 1 
ATOM 948 N N LYS 83 . . B 2 26.853 4.358 8.081 1 37.81 ? N LYS 87 H 1 
ATOM 949 C CA LYS 83 . . B 2 27.708 3.673 9.051 1 36.45 ? CA LYS 87 H 1 
ATOM 950 C C LYS 83 . . B 2 26.852 2.903 10.043 1 36.43 ? C LYS 87 H 1 
ATOM 951 O O LYS 83 . . B 2 25.667 3.225 10.215 1 35.61 ? O LYS 87 H 1 
ATOM 952 C CB LYS 83 . . B 2 28.545 4.655 9.861 1 39.1 ? CB LYS 87 H 1 
ATOM 953 C CG LYS 83 . . B 2 29.916 5.001 9.238 1 36.25 ? CG LYS 87 H 1 
ATOM 954 C CD LYS 83 . . B 2 30.689 3.692 9.155 1 39.12 ? CD LYS 87 H 1 
ATOM 955 C CE LYS 83 . . B 2 30.362 2.746 10.296 1 39.82 ? CE LYS 87 H 1 
ATOM 956 N NZ LYS 83 . . B 2 31.597 2.046 10.761 1 41.1 ? NZ LYS 87 H 1 
ATOM 957 N N ILE 84 . . B 2 27.528 1.893 10.602 1 35.99 ? N ILE 88 H 1 
ATOM 958 C CA ILE 84 . . B 2 26.984 0.961 11.62 1 34.38 ? CA ILE 88 H 1 
ATOM 959 C C ILE 84 . . B 2 28.065 1.006 12.728 1 33.18 ? C ILE 88 H 1 
ATOM 960 O O ILE 84 . . B 2 29.248 1.126 12.403 1 32.76 ? O ILE 88 H 1 
ATOM 961 C CB ILE 84 . . B 2 26.643 -0.513 11.22 1 33.39 ? CB ILE 88 H 1 
ATOM 962 C CG1 ILE 84 . . B 2 25.551 -0.609 10.126 1 34 ? CG1 ILE 88 H 1 
ATOM 963 C CG2 ILE 84 . . B 2 26.196 -1.382 12.421 1 32.94 ? CG2 ILE 88 H 1 
ATOM 964 C CD1 ILE 84 . . B 2 24.972 -2.023 9.881 1 32.95 ? CD1 ILE 88 H 1 
ATOM 965 N N TYR 85 . . B 2 27.606 1.208 13.932 1 32.44 ? N TYR 89 H 1 
ATOM 966 C CA TYR 85 . . B 2 28.505 1.329 15.08 1 30.73 ? CA TYR 89 H 1 
ATOM 967 C C TYR 85 . . B 2 27.915 0.449 16.172 1 28.96 ? C TYR 89 H 1 
ATOM 968 O O TYR 85 . . B 2 26.886 0.921 16.639 1 29.35 ? O TYR 89 H 1 
ATOM 969 C CB TYR 85 . . B 2 28.574 2.744 15.61 1 31.76 ? CB TYR 89 H 1 
ATOM 970 C CG TYR 85 . . B 2 29.071 3.828 14.667 1 33.85 ? CG TYR 89 H 1 
ATOM 971 C CD1 TYR 85 . . B 2 28.189 4.425 13.761 1 33.82 ? CD1 TYR 89 H 1 
ATOM 972 C CD2 TYR 85 . . B 2 30.401 4.246 14.744 1 34.82 ? CD2 TYR 89 H 1 
ATOM 973 C CE1 TYR 85 . . B 2 28.642 5.453 12.929 1 37.45 ? CE1 TYR 89 H 1 
ATOM 974 C CE2 TYR 85 . . B 2 30.854 5.276 13.915 1 35.55 ? CE2 TYR 89 H 1 
ATOM 975 C CZ TYR 85 . . B 2 29.974 5.881 13.01 1 36.59 ? CZ TYR 89 H 1 
ATOM 976 O OH TYR 85 . . B 2 30.417 6.886 12.211 1 38.96 ? OH TYR 89 H 1 
ATOM 977 N N ILE 86 . . B 2 28.638 -0.569 16.596 1 28.7 ? N ILE 90 H 1 
ATOM 978 C CA ILE 86 . . B 2 28.175 -1.469 17.669 1 27.39 ? CA ILE 90 H 1 
ATOM 979 C C ILE 86 . . B 2 28.895 -1.016 18.932 1 26.5 ? C ILE 90 H 1 
ATOM 980 O O ILE 86 . . B 2 30.003 -0.47 18.741 1 27.8 ? O ILE 90 H 1 
ATOM 981 C CB ILE 86 . . B 2 28.46 -2.959 17.337 1 27.04 ? CB ILE 90 H 1 
ATOM 982 C CG1 ILE 86 . . B 2 28.108 -3.235 15.857 1 27.49 ? CG1 ILE 90 H 1 
ATOM 983 C CG2 ILE 86 . . B 2 27.711 -3.937 18.289 1 25.02 ? CG2 ILE 90 H 1 
ATOM 984 C CD1 ILE 86 . . B 2 26.615 -3.581 15.606 1 30.91 ? CD1 ILE 90 H 1 
ATOM 985 N N HIS 87 . . B 2 28.289 -1.22 20.069 1 26.77 ? N HIS 91 H 1 
ATOM 986 C CA HIS 87 . . B 2 28.974 -0.876 21.343 1 26.36 ? CA HIS 91 H 1 
ATOM 987 C C HIS 87 . . B 2 30.231 -1.727 21.388 1 27.63 ? C HIS 91 H 1 
ATOM 988 O O HIS 87 . . B 2 30.172 -2.955 21.206 1 27.45 ? O HIS 91 H 1 
ATOM 989 C CB HIS 87 . . B 2 28.185 -1.096 22.632 1 25.09 ? CB HIS 91 H 1 
ATOM 990 C CG HIS 87 . . B 2 28.715 -0.445 23.904 1 24.34 ? CG HIS 91 H 1 
ATOM 991 N ND1 HIS 87 . . B 2 29.992 -0.689 24.394 1 23.25 ? ND1 HIS 91 H 1 
ATOM 992 C CD2 HIS 87 . . B 2 28.124 0.41 24.78 1 22.31 ? CD2 HIS 91 H 1 
ATOM 993 C CE1 HIS 87 . . B 2 30.136 -0.005 25.517 1 20.27 ? CE1 HIS 91 H 1 
ATOM 994 N NE2 HIS 87 . . B 2 29.031 0.655 25.76 1 17.71 ? NE2 HIS 91 H 1 
ATOM 995 N N PRO 88 . . B 2 31.403 -1.136 21.601 1 28.31 ? N PRO 92 H 1 
ATOM 996 C CA PRO 88 . . B 2 32.633 -1.894 21.601 1 27.39 ? CA PRO 92 H 1 
ATOM 997 C C PRO 88 . . B 2 32.619 -2.997 22.637 1 27.54 ? C PRO 92 H 1 
ATOM 998 O O PRO 88 . . B 2 33.435 -3.961 22.512 1 29.74 ? O PRO 92 H 1 
ATOM 999 C CB PRO 88 . . B 2 33.699 -0.86 21.878 1 28.17 ? CB PRO 92 H 1 
ATOM 1000 C CG PRO 88 . . B 2 33.013 0.489 22.018 1 28.15 ? CG PRO 92 H 1 
ATOM 1001 C CD PRO 88 . . B 2 31.54 0.301 21.839 1 27.12 ? CD PRO 92 H 1 
ATOM 1002 N N ARG 89 . . B 2 31.725 -2.885 23.614 1 25.79 ? N ARG 93 H 1 
ATOM 1003 C CA ARG 89 . . B 2 31.667 -3.854 24.735 1 25.57 ? CA ARG 93 H 1 
ATOM 1004 C C ARG 89 . . B 2 30.379 -4.67 24.788 1 24.92 ? C ARG 93 H 1 
ATOM 1005 O O ARG 89 . . B 2 30.04 -5.079 25.918 1 25.67 ? O ARG 93 H 1 
ATOM 1006 C CB ARG 89 . . B 2 31.776 -3.133 26.061 1 28.97 ? CB ARG 93 H 1 
ATOM 1007 C CG ARG 89 . . B 2 33.076 -2.364 26.168 1 32.52 ? CG ARG 93 H 1 
ATOM 1008 C CD ARG 89 . . B 2 33.986 -2.889 27.266 1 35.39 ? CD ARG 93 H 1 
ATOM 1009 N NE ARG 89 . . B 2 33.697 -2.191 28.487 1 37.07 ? NE ARG 93 H 1 
ATOM 1010 C CZ ARG 89 . . B 2 33.653 -2.662 29.723 1 37.09 ? CZ ARG 93 H 1 
ATOM 1011 N NH1 ARG 89 . . B 2 33.956 -3.926 30.034 1 36.96 ? NH1 ARG 93 H 1 
ATOM 1012 N NH2 ARG 89 . . B 2 33.26 -1.901 30.737 1 36.34 ? NH2 ARG 93 H 1 
ATOM 1013 N N TYR 90 . . B 2 29.665 -4.777 23.683 1 24.57 ? N TYR 94 H 1 
ATOM 1014 C CA TYR 90 . . B 2 28.505 -5.688 23.548 1 23.44 ? CA TYR 94 H 1 
ATOM 1015 C C TYR 90 . . B 2 28.953 -7.17 23.84 1 22.8 ? C TYR 94 H 1 
ATOM 1016 O O TYR 90 . . B 2 29.83 -7.775 23.156 1 21.46 ? O TYR 94 H 1 
ATOM 1017 C CB TYR 90 . . B 2 27.98 -5.545 22.104 1 18.7 ? CB TYR 94 H 1 
ATOM 1018 C CG TYR 90 . . B 2 27.216 -6.67 21.45 1 16.94 ? CG TYR 94 H 1 
ATOM 1019 C CD1 TYR 90 . . B 2 26.177 -7.336 22.112 1 15.34 ? CD1 TYR 94 H 1 
ATOM 1020 C CD2 TYR 90 . . B 2 27.559 -6.985 20.139 1 18.56 ? CD2 TYR 94 H 1 
ATOM 1021 C CE1 TYR 90 . . B 2 25.477 -8.348 21.434 1 16.75 ? CE1 TYR 94 H 1 
ATOM 1022 C CE2 TYR 90 . . B 2 26.863 -7.988 19.465 1 17.26 ? CE2 TYR 94 H 1 
ATOM 1023 C CZ TYR 90 . . B 2 25.824 -8.668 20.109 1 17.87 ? CZ TYR 94 H 1 
ATOM 1024 O OH TYR 90 . . B 2 25.155 -9.638 19.432 1 24.03 ? OH TYR 94 H 1 
ATOM 1025 N N ASN 91 . . B 2 28.331 -7.815 24.826 1 21.92 ? N ASN 95 H 1 
ATOM 1026 C CA ASN 91 . . B 2 28.692 -9.203 25.108 1 22.83 ? CA ASN 95 H 1 
ATOM 1027 C C ASN 91 . . B 2 27.93 -10.254 24.286 1 23.69 ? C ASN 95 H 1 
ATOM 1028 O O ASN 91 . . B 2 26.893 -10.856 24.72 1 23.13 ? O ASN 95 H 1 
ATOM 1029 C CB ASN 91 . . B 2 28.618 -9.497 26.626 1 22.84 ? CB ASN 95 H 1 
ATOM 1030 C CG ASN 91 . . B 2 29.585 -10.646 27.003 1 24.7 ? CG ASN 95 H 1 
ATOM 1031 O OD1 ASN 91 . . B 2 30.116 -11.394 26.145 1 23.39 ? OD1 ASN 95 H 1 
ATOM 1032 N ND2 ASN 91 . . B 2 29.81 -10.783 28.308 1 21.32 ? ND2 ASN 95 H 1 
ATOM 1033 N N TRP 92 . . B 2 28.43 -10.512 23.085 1 24.22 ? N TRP 96 H 1 
ATOM 1034 C CA TRP 92 . . B 2 27.662 -11.602 22.389 1 27.38 ? CA TRP 96 H 1 
ATOM 1035 C C TRP 92 . . B 2 28.011 -12.986 22.943 1 28.42 ? C TRP 96 H 1 
ATOM 1036 O O TRP 92 . . B 2 27.292 -13.892 22.569 1 28.44 ? O TRP 96 H 1 
ATOM 1037 C CB TRP 92 . . B 2 27.804 -11.546 20.881 1 27.02 ? CB TRP 96 H 1 
ATOM 1038 C CG TRP 92 . . B 2 29.259 -11.512 20.458 1 28.36 ? CG TRP 96 H 1 
ATOM 1039 C CD1 TRP 92 . . B 2 30.006 -10.429 20.195 1 29.4 ? CD1 TRP 96 H 1 
ATOM 1040 C CD2 TRP 92 . . B 2 30.055 -12.656 20.284 1 29.75 ? CD2 TRP 96 H 1 
ATOM 1041 N NE1 TRP 92 . . B 2 31.312 -10.902 19.852 1 29.43 ? NE1 TRP 96 H 1 
ATOM 1042 C CE2 TRP 92 . . B 2 31.317 -12.216 19.912 1 30.9 ? CE2 TRP 96 H 1 
ATOM 1043 C CE3 TRP 92 . . B 2 29.806 -14.025 20.405 1 29.48 ? CE3 TRP 96 H 1 
ATOM 1044 C CZ2 TRP 92 . . B 2 32.375 -13.093 19.653 1 29.71 ? CZ2 TRP 96 H 1 
ATOM 1045 C CZ3 TRP 92 . . B 2 30.873 -14.899 20.135 1 26.38 ? CZ3 TRP 96 H 1 
ATOM 1046 C CH2 TRP 92 . . B 2 32.098 -14.453 19.777 1 29.88 ? CH2 TRP 96 H 1 
ATOM 1047 N N ARG 93 . . B 2 29.106 -13.163 23.623 1 30.18 ? N ARG 97 H 1 
ATOM 1048 C CA ARG 93 . . B 2 29.608 -14.421 24.156 1 31.89 ? CA ARG 97 H 1 
ATOM 1049 C C ARG 93 . . B 2 28.828 -15 25.328 1 32.14 ? C ARG 97 H 1 
ATOM 1050 O O ARG 93 . . B 2 28.581 -16.224 25.361 1 32.68 ? O ARG 97 H 1 
ATOM 1051 C CB ARG 93 . . B 2 31.103 -14.263 24.503 1 35.58 ? CB ARG 97 H 1 
ATOM 1052 C CG ARG 93 . . B 2 32.105 -14.109 23.379 1 36.96 ? CG ARG 97 H 1 
ATOM 1053 C CD ARG 93 . . B 2 33.498 -14.51 23.708 1 41.78 ? CD ARG 97 H 1 
ATOM 1054 N NE ARG 93 . . B 2 34.101 -15.371 22.618 1 46.82 ? NE ARG 97 H 1 
ATOM 1055 C CZ ARG 93 . . B 2 34.834 -14.652 21.739 1 46.92 ? CZ ARG 97 H 1 
ATOM 1056 N NH1 ARG 93 . . B 2 34.991 -13.36 22.077 1 45.64 ? NH1 ARG 97 H 1 
ATOM 1057 N NH2 ARG 93 . . B 2 35.417 -15.093 20.64 1 47.61 ? NH2 ARG 97 H 1 
ATOM 1058 N N GLU 94 . A B 2 28.371 -14.157 26.311 1 31.08 ? N GLU 97 H 1 
ATOM 1059 C CA GLU 94 . A B 2 27.632 -14.74 27.441 1 28.36 ? CA GLU 97 H 1 
ATOM 1060 C C GLU 94 . A B 2 26.186 -14.23 27.476 1 26.74 ? C GLU 97 H 1 
ATOM 1061 O O GLU 94 . A B 2 25.237 -15.017 27.32 1 24.29 ? O GLU 97 H 1 
ATOM 1062 C CB GLU 94 . A B 2 28.269 -14.392 28.815 1 28.07 ? CB GLU 97 H 1 
ATOM 1063 C CG GLU 94 . A B 2 27.517 -15.153 29.91 1 36.95 ? CG GLU 97 H 1 
ATOM 1064 C CD GLU 94 . A B 2 27.414 -14.582 31.336 1 41.47 ? CD GLU 97 H 1 
ATOM 1065 O OE1 GLU 94 . A B 2 28.318 -13.798 31.843 1 42.5 ? OE1 GLU 97 H 1 
ATOM 1066 O OE2 GLU 94 . A B 2 26.391 -14.933 32.027 1 45.36 ? OE2 GLU 97 H 1 
ATOM 1067 N N ASN 95 . . B 2 25.913 -12.903 27.853 1 23.73 ? N ASN 98 H 1 
ATOM 1068 C CA ASN 95 . . B 2 24.528 -12.485 28.027 1 21.91 ? CA ASN 98 H 1 
ATOM 1069 C C ASN 95 . . B 2 23.975 -11.337 27.15 1 22.83 ? C ASN 98 H 1 
ATOM 1070 O O ASN 95 . . B 2 22.864 -10.909 27.536 1 22.53 ? O ASN 98 H 1 
ATOM 1071 C CB ASN 95 . . B 2 24.376 -12.235 29.527 1 17.95 ? CB ASN 98 H 1 
ATOM 1072 C CG ASN 95 . . B 2 25.429 -11.173 29.957 1 18.53 ? CG ASN 98 H 1 
ATOM 1073 O OD1 ASN 95 . . B 2 26.309 -10.807 29.101 1 16.36 ? OD1 ASN 98 H 1 
ATOM 1074 N ND2 ASN 95 . . B 2 25.187 -10.84 31.198 1 10.5 ? ND2 ASN 98 H 1 
ATOM 1075 N N LEU 96 . . B 2 24.505 -10.95 26.006 1 21.75 ? N LEU 99 H 1 
ATOM 1076 C CA LEU 96 . . B 2 23.953 -9.87 25.189 1 23.69 ? CA LEU 99 H 1 
ATOM 1077 C C LEU 96 . . B 2 23.966 -8.501 25.939 1 22.78 ? C LEU 99 H 1 
ATOM 1078 O O LEU 96 . . B 2 22.961 -7.783 25.928 1 21.49 ? O LEU 99 H 1 
ATOM 1079 C CB LEU 96 . . B 2 22.544 -10.153 24.617 1 23.55 ? CB LEU 99 H 1 
ATOM 1080 C CG LEU 96 . . B 2 22.386 -11.117 23.457 1 27.16 ? CG LEU 99 H 1 
ATOM 1081 C CD1 LEU 96 . . B 2 21.154 -10.872 22.602 1 24.76 ? CD1 LEU 99 H 1 
ATOM 1082 C CD2 LEU 96 . . B 2 23.642 -10.997 22.616 1 27.27 ? CD2 LEU 99 H 1 
ATOM 1083 N N ASP 97 . . B 2 24.916 -8.387 26.864 1 22.61 ? N ASP 100 H 1 
ATOM 1084 C CA ASP 97 . . B 2 25.178 -7.183 27.658 1 19.84 ? CA ASP 100 H 1 
ATOM 1085 C C ASP 97 . . B 2 25.49 -6.08 26.601 1 17.46 ? C ASP 100 H 1 
ATOM 1086 O O ASP 97 . . B 2 26.409 -6.337 25.824 1 14.68 ? O ASP 100 H 1 
ATOM 1087 C CB ASP 97 . . B 2 26.449 -7.355 28.483 1 18.03 ? CB ASP 100 H 1 
ATOM 1088 C CG ASP 97 . . B 2 26.428 -6.479 29.71 1 22.67 ? CG ASP 100 H 1 
ATOM 1089 O OD1 ASP 97 . . B 2 25.33 -6.043 30.189 1 18.97 ? OD1 ASP 100 H 1 
ATOM 1090 O OD2 ASP 97 . . B 2 27.484 -6.327 30.368 1 24.12 ? OD2 ASP 100 H 1 
ATOM 1091 N N ARG 98 . . B 2 24.853 -4.912 26.716 1 17.44 ? N ARG 101 H 1 
ATOM 1092 C CA ARG 98 . . B 2 25.123 -3.785 25.78 1 15.64 ? CA ARG 101 H 1 
ATOM 1093 C C ARG 98 . . B 2 24.727 -4.028 24.369 1 15.4 ? C ARG 101 H 1 
ATOM 1094 O O ARG 98 . . B 2 25.512 -3.811 23.398 1 15.02 ? O ARG 101 H 1 
ATOM 1095 C CB ARG 98 . . B 2 26.583 -3.254 25.839 1 18.74 ? CB ARG 101 H 1 
ATOM 1096 C CG ARG 98 . . B 2 26.928 -2.883 27.271 1 23.33 ? CG ARG 101 H 1 
ATOM 1097 C CD ARG 98 . . B 2 28.286 -2.34 27.47 1 28.44 ? CD ARG 101 H 1 
ATOM 1098 N NE ARG 98 . . B 2 29.204 -3.313 27.989 1 34.18 ? NE ARG 101 H 1 
ATOM 1099 C CZ ARG 98 . . B 2 29.604 -3.51 29.244 1 35.34 ? CZ ARG 101 H 1 
ATOM 1100 N NH1 ARG 98 . . B 2 29.383 -2.627 30.21 1 35.52 ? NH1 ARG 101 H 1 
ATOM 1101 N NH2 ARG 98 . . B 2 30.338 -4.61 29.412 1 34.82 ? NH2 ARG 101 H 1 
ATOM 1102 N N ASP 99 . . B 2 23.573 -4.663 24.25 1 15.42 ? N ASP 102 H 1 
ATOM 1103 C CA ASP 99 . . B 2 22.884 -4.953 22.97 1 16.45 ? CA ASP 102 H 1 
ATOM 1104 C C ASP 99 . . B 2 22.206 -3.633 22.489 1 16.88 ? C ASP 102 H 1 
ATOM 1105 O O ASP 99 . . B 2 21.063 -3.291 22.852 1 17.7 ? O ASP 102 H 1 
ATOM 1106 C CB ASP 99 . . B 2 21.877 -6.045 23.274 1 13.34 ? CB ASP 102 H 1 
ATOM 1107 C CG ASP 99 . . B 2 21.313 -6.688 22.046 1 13.27 ? CG ASP 102 H 1 
ATOM 1108 O OD1 ASP 99 . . B 2 21.913 -6.419 20.987 1 14.09 ? OD1 ASP 102 H 1 
ATOM 1109 O OD2 ASP 99 . . B 2 20.293 -7.416 22.266 1 13.57 ? OD2 ASP 102 H 1 
ATOM 1110 N N ILE 100 . . B 2 23.016 -2.827 21.838 1 18.32 ? N ILE 103 H 1 
ATOM 1111 C CA ILE 100 . . B 2 22.778 -1.453 21.345 1 18.42 ? CA ILE 103 H 1 
ATOM 1112 C C ILE 100 . . B 2 23.767 -1.128 20.213 1 19.65 ? C ILE 103 H 1 
ATOM 1113 O O ILE 100 . . B 2 24.882 -1.655 20.207 1 19.59 ? O ILE 103 H 1 
ATOM 1114 C CB ILE 100 . . B 2 22.877 -0.358 22.477 1 17.3 ? CB ILE 103 H 1 
ATOM 1115 C CG1 ILE 100 . . B 2 22.438 1.057 22.079 1 15.06 ? CG1 ILE 103 H 1 
ATOM 1116 C CG2 ILE 100 . . B 2 24.366 -0.354 22.93 1 14.65 ? CG2 ILE 103 H 1 
ATOM 1117 C CD1 ILE 100 . . B 2 21.605 1.847 23.135 1 17.5 ? CD1 ILE 103 H 1 
ATOM 1118 N N ALA 101 . . B 2 23.298 -0.468 19.116 1 20 ? N ALA 104 H 1 
ATOM 1119 C CA ALA 101 . . B 2 24.074 -0.093 17.934 1 16.99 ? CA ALA 104 H 1 
ATOM 1120 C C ALA 101 . . B 2 23.223 1.052 17.314 1 19.41 ? C ALA 104 H 1 
ATOM 1121 O O ALA 101 . . B 2 22.014 1.17 17.446 1 16.6 ? O ALA 104 H 1 
ATOM 1122 C CB ALA 101 . . B 2 24.233 -1.169 16.889 1 18.71 ? CB ALA 104 H 1 
ATOM 1123 N N LEU 102 . . B 2 23.988 1.916 16.656 1 21.14 ? N LEU 105 H 1 
ATOM 1124 C CA LEU 102 . . B 2 23.588 3.117 15.932 1 23.14 ? CA LEU 105 H 1 
ATOM 1125 C C LEU 102 . . B 2 24.004 2.989 14.455 1 24.9 ? C LEU 105 H 1 
ATOM 1126 O O LEU 102 . . B 2 25.128 2.471 14.258 1 24.95 ? O LEU 105 H 1 
ATOM 1127 C CB LEU 102 . . B 2 24.362 4.301 16.562 1 20.98 ? CB LEU 105 H 1 
ATOM 1128 C CG LEU 102 . . B 2 23.709 4.769 17.849 1 21.69 ? CG LEU 105 H 1 
ATOM 1129 C CD1 LEU 102 . . B 2 24.732 5.385 18.758 1 19.8 ? CD1 LEU 105 H 1 
ATOM 1130 C CD2 LEU 102 . . B 2 22.557 5.677 17.377 1 21.29 ? CD2 LEU 105 H 1 
ATOM 1131 N N MET 103 . . B 2 23.037 3.335 13.632 1 25.93 ? N MET 106 H 1 
ATOM 1132 C CA MET 103 . . B 2 23.065 3.435 12.18 1 27.14 ? CA MET 106 H 1 
ATOM 1133 C C MET 103 . . B 2 22.792 4.897 11.817 1 28.9 ? C MET 106 H 1 
ATOM 1134 O O MET 103 . . B 2 21.743 5.452 12.269 1 30.97 ? O MET 106 H 1 
ATOM 1135 C CB MET 103 . . B 2 21.934 2.57 11.653 1 24.91 ? CB MET 106 H 1 
ATOM 1136 C CG MET 103 . . B 2 22.17 1.177 12.207 1 27.44 ? CG MET 106 H 1 
ATOM 1137 S SD MET 103 . . B 2 20.725 0.153 11.692 1 31.44 ? SD MET 106 H 1 
ATOM 1138 C CE MET 103 . . B 2 21.578 -0.543 10.24 1 32.35 ? CE MET 106 H 1 
ATOM 1139 N N LYS 104 . . B 2 23.744 5.542 11.201 1 29.88 ? N LYS 107 H 1 
ATOM 1140 C CA LYS 104 . . B 2 23.699 6.936 10.73 1 30.57 ? CA LYS 107 H 1 
ATOM 1141 C C LYS 104 . . B 2 23.41 6.812 9.221 1 30.92 ? C LYS 107 H 1 
ATOM 1142 O O LYS 104 . . B 2 23.922 5.861 8.595 1 30.34 ? O LYS 107 H 1 
ATOM 1143 C CB LYS 104 . . B 2 24.955 7.694 10.974 1 34.19 ? CB LYS 107 H 1 
ATOM 1144 C CG LYS 104 . . B 2 25.8 7.564 9.693 1 37.34 ? CG LYS 107 H 1 
ATOM 1145 C CD LYS 104 . . B 2 25.541 8.916 9.036 1 44.05 ? CD LYS 107 H 1 
ATOM 1146 C CE LYS 104 . . B 2 26.287 10.021 9.771 1 46.28 ? CE LYS 107 H 1 
ATOM 1147 N NZ LYS 104 . . B 2 25.406 10.483 10.89 1 50 ? NZ LYS 107 H 1 
ATOM 1148 N N LEU 105 . . B 2 22.33 7.516 8.873 1 31.34 ? N LEU 108 H 1 
ATOM 1149 C CA LEU 105 . . B 2 21.627 7.442 7.581 1 32.15 ? CA LEU 108 H 1 
ATOM 1150 C C LEU 105 . . B 2 22.424 8.06 6.462 1 32.88 ? C LEU 108 H 1 
ATOM 1151 O O LEU 105 . . B 2 23.161 9.008 6.779 1 32.69 ? O LEU 108 H 1 
ATOM 1152 C CB LEU 105 . . B 2 20.2 7.918 7.807 1 32.11 ? CB LEU 108 H 1 
ATOM 1153 C CG LEU 105 . . B 2 19.291 7.232 8.803 1 33.73 ? CG LEU 108 H 1 
ATOM 1154 C CD1 LEU 105 . . B 2 17.801 7.613 8.662 1 34.31 ? CD1 LEU 108 H 1 
ATOM 1155 C CD2 LEU 105 . . B 2 19.357 5.716 8.671 1 33.81 ? CD2 LEU 108 H 1 
ATOM 1156 N N LYS 106 . . B 2 22.353 7.538 5.241 1 34.21 ? N LYS 109 H 1 
ATOM 1157 C CA LYS 106 . . B 2 23.156 8.146 4.162 1 36.23 ? CA LYS 109 H 1 
ATOM 1158 C C LYS 106 . . B 2 22.778 9.598 3.875 1 36.9 ? C LYS 109 H 1 
ATOM 1159 O O LYS 106 . . B 2 23.597 10.434 3.441 1 37.26 ? O LYS 109 H 1 
ATOM 1160 C CB LYS 106 . . B 2 23.172 7.299 2.876 1 38.82 ? CB LYS 109 H 1 
ATOM 1161 C CG LYS 106 . . B 2 24.644 7.382 2.413 1 44.38 ? CG LYS 109 H 1 
ATOM 1162 C CD LYS 106 . . B 2 25.211 6.204 1.657 1 47.22 ? CD LYS 109 H 1 
ATOM 1163 C CE LYS 106 . . B 2 25.364 6.521 0.172 1 50 ? CE LYS 109 H 1 
ATOM 1164 N NZ LYS 106 . . B 2 24.342 5.887 -0.726 1 50 ? NZ LYS 109 H 1 
ATOM 1165 N N LYS 107 . . B 2 21.567 9.975 4.279 1 37.6 ? N LYS 110 H 1 
ATOM 1166 C CA LYS 107 . . B 2 21.026 11.333 4.143 1 38.22 ? CA LYS 110 H 1 
ATOM 1167 C C LYS 107 . . B 2 19.927 11.536 5.176 1 37.19 ? C LYS 110 H 1 
ATOM 1168 O O LYS 107 . . B 2 19.15 10.6 5.402 1 38.38 ? O LYS 110 H 1 
ATOM 1169 C CB LYS 107 . . B 2 20.361 11.636 2.785 1 40.16 ? CB LYS 110 H 1 
ATOM 1170 C CG LYS 107 . . B 2 20.538 13.13 2.48 1 43.42 ? CG LYS 110 H 1 
ATOM 1171 C CD LYS 107 . . B 2 21.964 13.366 1.959 1 45.75 ? CD LYS 110 H 1 
ATOM 1172 C CE LYS 107 . . B 2 22.22 14.811 1.542 1 47.62 ? CE LYS 110 H 1 
ATOM 1173 N NZ LYS 107 . . B 2 21.683 15.106 0.178 1 49.93 ? NZ LYS 110 H 1 
ATOM 1174 N N PRO 108 . . B 2 19.779 12.759 5.616 1 36.67 ? N PRO 111 H 1 
ATOM 1175 C CA PRO 108 . . B 2 18.761 13.051 6.639 1 35.93 ? CA PRO 111 H 1 
ATOM 1176 C C PRO 108 . . B 2 17.416 12.796 6.011 1 34.87 ? C PRO 111 H 1 
ATOM 1177 O O PRO 108 . . B 2 17.308 12.766 4.794 1 35.04 ? O PRO 111 H 1 
ATOM 1178 C CB PRO 108 . . B 2 19.012 14.495 7.076 1 35.81 ? CB PRO 111 H 1 
ATOM 1179 C CG PRO 108 . . B 2 20.195 15 6.245 1 35.58 ? CG PRO 111 H 1 
ATOM 1180 C CD PRO 108 . . B 2 20.659 13.902 5.311 1 35.99 ? CD PRO 111 H 1 
ATOM 1181 N N VAL 109 . . B 2 16.446 12.501 6.82 1 34.4 ? N VAL 112 H 1 
ATOM 1182 C CA VAL 109 . . B 2 15.079 12.225 6.46 1 32.82 ? CA VAL 112 H 1 
ATOM 1183 C C VAL 109 . . B 2 14.262 13.483 6.807 1 32.91 ? C VAL 112 H 1 
ATOM 1184 O O VAL 109 . . B 2 14.517 14.143 7.854 1 34.16 ? O VAL 112 H 1 
ATOM 1185 C CB VAL 109 . . B 2 14.455 11.138 7.394 1 35.22 ? CB VAL 112 H 1 
ATOM 1186 C CG1 VAL 109 . . B 2 13.589 10.129 6.685 1 31.26 ? CG1 VAL 112 H 1 
ATOM 1187 C CG2 VAL 109 . . B 2 15.483 10.514 8.32 1 32.49 ? CG2 VAL 112 H 1 
ATOM 1188 N N ALA 110 . . B 2 13.114 13.493 6.129 1 31.13 ? N ALA 113 H 1 
ATOM 1189 C CA ALA 110 . . B 2 12.178 14.606 6.332 1 27.34 ? CA ALA 113 H 1 
ATOM 1190 C C ALA 110 . . B 2 11.034 13.966 7.131 1 25.69 ? C ALA 113 H 1 
ATOM 1191 O O ALA 110 . . B 2 10.59 12.898 6.691 1 23.39 ? O ALA 113 H 1 
ATOM 1192 C CB ALA 110 . . B 2 11.755 15.071 4.944 1 29.65 ? CB ALA 113 H 1 
ATOM 1193 N N PHE 111 . . B 2 10.592 14.754 8.067 1 23.94 ? N PHE 114 H 1 
ATOM 1194 C CA PHE 111 . . B 2 9.596 14.333 9.039 1 25.31 ? CA PHE 114 H 1 
ATOM 1195 C C PHE 111 . . B 2 8.224 14.493 8.378 1 26.74 ? C PHE 114 H 1 
ATOM 1196 O O PHE 111 . . B 2 8.207 15.221 7.344 1 28.61 ? O PHE 114 H 1 
ATOM 1197 C CB PHE 111 . . B 2 9.752 14.95 10.412 1 25.83 ? CB PHE 114 H 1 
ATOM 1198 C CG PHE 111 . . B 2 11.166 14.721 10.944 1 26.27 ? CG PHE 114 H 1 
ATOM 1199 C CD1 PHE 111 . . B 2 11.91 13.64 10.46 1 28.05 ? CD1 PHE 114 H 1 
ATOM 1200 C CD2 PHE 111 . . B 2 11.72 15.582 11.895 1 26.62 ? CD2 PHE 114 H 1 
ATOM 1201 C CE1 PHE 111 . . B 2 13.213 13.427 10.913 1 27.51 ? CE1 PHE 114 H 1 
ATOM 1202 C CE2 PHE 111 . . B 2 13.026 15.371 12.349 1 25.13 ? CE2 PHE 114 H 1 
ATOM 1203 C CZ PHE 111 . . B 2 13.774 14.294 11.856 1 26.49 ? CZ PHE 114 H 1 
ATOM 1204 N N SER 112 . . B 2 7.18 13.92 9.001 1 24.2 ? N SER 115 H 1 
ATOM 1205 C CA SER 112 . . B 2 5.935 13.96 8.212 1 23.66 ? CA SER 115 H 1 
ATOM 1206 C C SER 112 . . B 2 4.913 13.564 9.238 1 23.62 ? C SER 115 H 1 
ATOM 1207 O O SER 112 . . B 2 5.392 13.388 10.354 1 24.58 ? O SER 115 H 1 
ATOM 1208 C CB SER 112 . . B 2 5.968 12.885 7.138 1 24.11 ? CB SER 115 H 1 
ATOM 1209 O OG SER 112 . . B 2 5.081 11.872 7.631 1 26.89 ? OG SER 115 H 1 
ATOM 1210 N N ASP 113 . . B 2 3.703 13.262 8.845 1 25.03 ? N ASP 116 H 1 
ATOM 1211 C CA ASP 113 . . B 2 2.723 12.899 9.921 1 24.39 ? CA ASP 116 H 1 
ATOM 1212 C C ASP 113 . . B 2 2.954 11.443 10.42 1 22.21 ? C ASP 116 H 1 
ATOM 1213 O O ASP 113 . . B 2 2.432 11.103 11.517 1 19.88 ? O ASP 116 H 1 
ATOM 1214 C CB ASP 113 . . B 2 1.328 13.088 9.392 1 30.44 ? CB ASP 116 H 1 
ATOM 1215 C CG ASP 113 . . B 2 0.645 14.426 9.242 1 31.99 ? CG ASP 116 H 1 
ATOM 1216 O OD1 ASP 113 . . B 2 1.162 15.463 9.674 1 32.68 ? OD1 ASP 116 H 1 
ATOM 1217 O OD2 ASP 113 . . B 2 -0.473 14.385 8.674 1 35.01 ? OD2 ASP 116 H 1 
ATOM 1218 N N TYR 114 . . B 2 3.786 10.81 9.613 1 20.1 ? N TYR 117 H 1 
ATOM 1219 C CA TYR 114 . . B 2 4.068 9.387 9.826 1 20.8 ? CA TYR 117 H 1 
ATOM 1220 C C TYR 114 . . B 2 5.454 9.111 10.374 1 21.48 ? C TYR 117 H 1 
ATOM 1221 O O TYR 114 . . B 2 5.665 7.936 10.751 1 22.36 ? O TYR 117 H 1 
ATOM 1222 C CB TYR 114 . . B 2 3.88 8.674 8.455 1 19.45 ? CB TYR 117 H 1 
ATOM 1223 C CG TYR 114 . . B 2 2.488 8.98 7.894 1 20.07 ? CG TYR 117 H 1 
ATOM 1224 C CD1 TYR 114 . . B 2 1.345 8.576 8.541 1 17.64 ? CD1 TYR 117 H 1 
ATOM 1225 C CD2 TYR 114 . . B 2 2.373 9.943 6.879 1 19.76 ? CD2 TYR 117 H 1 
ATOM 1226 C CE1 TYR 114 . . B 2 0.123 8.94 7.998 1 22.32 ? CE1 TYR 117 H 1 
ATOM 1227 C CE2 TYR 114 . . B 2 1.145 10.371 6.339 1 21.32 ? CE2 TYR 117 H 1 
ATOM 1228 C CZ TYR 114 . . B 2 0.014 9.874 6.948 1 21.66 ? CZ TYR 117 H 1 
ATOM 1229 O OH TYR 114 . . B 2 -1.259 10.177 6.529 1 26.4 ? OH TYR 117 H 1 
ATOM 1230 N N ILE 115 . . B 2 6.371 10.029 10.228 1 21 ? N ILE 118 H 1 
ATOM 1231 C CA ILE 115 . . B 2 7.769 10.091 10.547 1 20.69 ? CA ILE 118 H 1 
ATOM 1232 C C ILE 115 . . B 2 8.18 11.263 11.458 1 22.07 ? C ILE 118 H 1 
ATOM 1233 O O ILE 115 . . B 2 8.05 12.464 11.115 1 20.94 ? O ILE 118 H 1 
ATOM 1234 C CB ILE 115 . . B 2 8.611 10.18 9.203 1 19.29 ? CB ILE 118 H 1 
ATOM 1235 C CG1 ILE 115 . . B 2 8.045 9.158 8.16 1 15.27 ? CG1 ILE 118 H 1 
ATOM 1236 C CG2 ILE 115 . . B 2 10.116 10.026 9.453 1 15.3 ? CG2 ILE 118 H 1 
ATOM 1237 C CD1 ILE 115 . . B 2 9.004 9.28 6.919 1 17.1 ? CD1 ILE 118 H 1 
ATOM 1238 N N HIS 116 . . B 2 8.479 10.862 12.69 1 21.26 ? N HIS 119 H 1 
ATOM 1239 C CA HIS 116 . . B 2 8.817 11.806 13.773 1 21.92 ? CA HIS 119 H 1 
ATOM 1240 C C HIS 116 . . B 2 9.81 11.164 14.73 1 21.75 ? C HIS 119 H 1 
ATOM 1241 O O HIS 116 . . B 2 9.534 10.009 15.09 1 21.26 ? O HIS 119 H 1 
ATOM 1242 C CB HIS 116 . . B 2 7.497 12.308 14.435 1 23.2 ? CB HIS 119 H 1 
ATOM 1243 C CG HIS 116 . . B 2 7.784 13.553 15.245 1 25.12 ? CG HIS 119 H 1 
ATOM 1244 N ND1 HIS 116 . . B 2 8.208 14.751 14.643 1 27.27 ? ND1 HIS 119 H 1 
ATOM 1245 C CD2 HIS 116 . . B 2 7.858 13.754 16.573 1 23.78 ? CD2 HIS 119 H 1 
ATOM 1246 C CE1 HIS 116 . . B 2 8.58 15.593 15.603 1 26.45 ? CE1 HIS 119 H 1 
ATOM 1247 N NE2 HIS 116 . . B 2 8.353 15.008 16.78 1 25.2 ? NE2 HIS 119 H 1 
ATOM 1248 N N PRO 117 . . B 2 10.883 11.784 15.217 1 21.13 ? N PRO 120 H 1 
ATOM 1249 C CA PRO 117 . . B 2 11.821 11.133 16.167 1 19.41 ? CA PRO 120 H 1 
ATOM 1250 C C PRO 117 . . B 2 11.336 10.98 17.586 1 18.9 ? C PRO 120 H 1 
ATOM 1251 O O PRO 117 . . B 2 10.425 11.659 18.095 1 18.72 ? O PRO 120 H 1 
ATOM 1252 C CB PRO 117 . . B 2 13.033 12.035 16.156 1 20.1 ? CB PRO 120 H 1 
ATOM 1253 C CG PRO 117 . . B 2 12.689 13.257 15.311 1 19.53 ? CG PRO 120 H 1 
ATOM 1254 C CD PRO 117 . . B 2 11.265 13.147 14.84 1 20.33 ? CD PRO 120 H 1 
ATOM 1255 N N VAL 118 . . B 2 11.9 9.999 18.335 1 17.99 ? N VAL 121 H 1 
ATOM 1256 C CA VAL 118 . . B 2 11.56 9.775 19.767 1 16.83 ? CA VAL 121 H 1 
ATOM 1257 C C VAL 118 . . B 2 12.637 10.511 20.595 1 16.53 ? C VAL 121 H 1 
ATOM 1258 O O VAL 118 . . B 2 13.745 10.808 20.107 1 17.51 ? O VAL 121 H 1 
ATOM 1259 C CB VAL 118 . . B 2 11.429 8.28 20.241 1 15.08 ? CB VAL 121 H 1 
ATOM 1260 C CG1 VAL 118 . . B 2 12.768 7.633 20.498 1 10.94 ? CG1 VAL 121 H 1 
ATOM 1261 C CG2 VAL 118 . . B 2 10.611 8.085 21.475 1 10 ? CG2 VAL 121 H 1 
ATOM 1262 N N CYS 119 . . B 2 12.312 10.813 21.83 1 16.81 ? N CYS 122 H 1 
ATOM 1263 C CA CYS 119 . . B 2 13.325 11.531 22.665 1 17.81 ? CA CYS 122 H 1 
ATOM 1264 C C CYS 119 . . B 2 14.191 10.544 23.42 1 17.73 ? C CYS 122 H 1 
ATOM 1265 O O CYS 119 . . B 2 13.551 9.601 23.891 1 16.55 ? O CYS 122 H 1 
ATOM 1266 C CB CYS 119 . . B 2 12.604 12.338 23.756 1 16.81 ? CB CYS 122 H 1 
ATOM 1267 S SG CYS 119 . . B 2 11.611 13.761 23.236 1 17.29 ? SG CYS 122 H 1 
ATOM 1268 N N LEU 120 . . B 2 15.435 10.805 23.681 1 18.66 ? N LEU 123 H 1 
ATOM 1269 C CA LEU 120 . . B 2 16.309 9.973 24.539 1 20.11 ? CA LEU 123 H 1 
ATOM 1270 C C LEU 120 . . B 2 16.186 10.612 25.949 1 21.93 ? C LEU 123 H 1 
ATOM 1271 O O LEU 120 . . B 2 16.075 11.829 26.039 1 20.93 ? O LEU 123 H 1 
ATOM 1272 C CB LEU 120 . . B 2 17.712 9.906 23.977 1 17.69 ? CB LEU 123 H 1 
ATOM 1273 C CG LEU 120 . . B 2 18.247 9.404 22.679 1 14.08 ? CG LEU 123 H 1 
ATOM 1274 C CD1 LEU 120 . . B 2 19.754 9.58 22.49 1 10 ? CD1 LEU 123 H 1 
ATOM 1275 C CD2 LEU 120 . . B 2 17.777 7.939 22.672 1 15.16 ? CD2 LEU 123 H 1 
ATOM 1276 N N PRO 121 . . B 2 16.132 9.777 27.018 1 23.87 ? N PRO 124 H 1 
ATOM 1277 C CA PRO 121 . . B 2 15.901 10.237 28.372 1 24.07 ? CA PRO 124 H 1 
ATOM 1278 C C PRO 121 . . B 2 17.079 10.974 28.99 1 25.1 ? C PRO 124 H 1 
ATOM 1279 O O PRO 121 . . B 2 18.209 10.739 28.561 1 23.95 ? O PRO 124 H 1 
ATOM 1280 C CB PRO 121 . . B 2 15.73 8.954 29.18 1 23.79 ? CB PRO 124 H 1 
ATOM 1281 C CG PRO 121 . . B 2 15.947 7.787 28.225 1 21.69 ? CG PRO 124 H 1 
ATOM 1282 C CD PRO 121 . . B 2 16.278 8.327 26.86 1 23.12 ? CD PRO 124 H 1 
ATOM 1283 N N ASP 122 . . B 2 16.767 11.847 29.921 1 27.15 ? N ASP 125 H 1 
ATOM 1284 C CA ASP 122 . . B 2 17.803 12.53 30.741 1 28.68 ? CA ASP 125 H 1 
ATOM 1285 C C ASP 122 . . B 2 17.858 11.912 32.147 1 30.21 ? C ASP 125 H 1 
ATOM 1286 O O ASP 122 . . B 2 16.798 11.54 32.745 1 31.72 ? O ASP 125 H 1 
ATOM 1287 C CB ASP 122 . . B 2 17.383 13.992 30.707 1 30.67 ? CB ASP 125 H 1 
ATOM 1288 C CG ASP 122 . . B 2 15.954 14.055 31.239 1 33.22 ? CG ASP 125 H 1 
ATOM 1289 O OD1 ASP 122 . . B 2 15.844 14.119 32.49 1 37.88 ? OD1 ASP 125 H 1 
ATOM 1290 O OD2 ASP 122 . . B 2 14.94 14.048 30.535 1 33.48 ? OD2 ASP 125 H 1 
ATOM 1291 N N ARG 123 . . B 2 18.97 11.863 32.854 1 30.44 ? N ARG 126 H 1 
ATOM 1292 C CA ARG 123 . . B 2 19.018 11.244 34.169 1 31.21 ? CA ARG 126 H 1 
ATOM 1293 C C ARG 123 . . B 2 17.739 11.441 34.955 1 32.33 ? C ARG 126 H 1 
ATOM 1294 O O ARG 123 . . B 2 17.42 10.438 35.631 1 31.92 ? O ARG 126 H 1 
ATOM 1295 C CB ARG 123 . . B 2 20.184 11.619 35.079 1 36.51 ? CB ARG 126 H 1 
ATOM 1296 C CG ARG 123 . . B 2 20.274 10.932 36.46 1 41.74 ? CG ARG 126 H 1 
ATOM 1297 C CD ARG 123 . . B 2 21.304 11.595 37.309 1 47.69 ? CD ARG 126 H 1 
ATOM 1298 N NE ARG 123 . . B 2 21.809 11.056 38.572 1 50 ? NE ARG 126 H 1 
ATOM 1299 C CZ ARG 123 . . B 2 21.56 11.469 39.833 1 50 ? CZ ARG 126 H 1 
ATOM 1300 N NH1 ARG 123 . . B 2 20.593 12.38 40.044 1 50 ? NH1 ARG 126 H 1 
ATOM 1301 N NH2 ARG 123 . . B 2 22.125 11.052 40.968 1 50 ? NH2 ARG 126 H 1 
ATOM 1302 N N GLU 124 . . B 2 17.004 12.528 34.866 1 32.87 ? N GLU 127 H 1 
ATOM 1303 C CA GLU 124 . . B 2 15.838 12.738 35.737 1 32.72 ? CA GLU 127 H 1 
ATOM 1304 C C GLU 124 . . B 2 14.585 12.094 35.253 1 32.66 ? C GLU 127 H 1 
ATOM 1305 O O GLU 124 . . B 2 13.67 11.635 35.998 1 33.39 ? O GLU 127 H 1 
ATOM 1306 C CB GLU 124 . . B 2 15.555 14.203 36.069 1 37.47 ? CB GLU 127 H 1 
ATOM 1307 C CG GLU 124 . . B 2 16.115 15.344 35.214 1 40.95 ? CG GLU 127 H 1 
ATOM 1308 C CD GLU 124 . . B 2 17.624 15.391 35.052 1 43.21 ? CD GLU 127 H 1 
ATOM 1309 O OE1 GLU 124 . . B 2 18.394 14.979 35.954 1 44.66 ? OE1 GLU 127 H 1 
ATOM 1310 O OE2 GLU 124 . . B 2 17.974 15.915 33.941 1 43.3 ? OE2 GLU 127 H 1 
ATOM 1311 N N THR 125 . . B 2 14.487 12.13 33.942 1 32.36 ? N THR 128 H 1 
ATOM 1312 C CA THR 125 . . B 2 13.29 11.455 33.333 1 31.98 ? CA THR 128 H 1 
ATOM 1313 C C THR 125 . . B 2 13.378 9.935 33.572 1 30.5 ? C THR 128 H 1 
ATOM 1314 O O THR 125 . . B 2 12.452 9.346 34.067 1 29.95 ? O THR 128 H 1 
ATOM 1315 C CB THR 125 . . B 2 13.11 11.791 31.803 1 32.15 ? CB THR 128 H 1 
ATOM 1316 O OG1 THR 125 . . B 2 12.899 13.259 31.775 1 28.36 ? OG1 THR 128 H 1 
ATOM 1317 C CG2 THR 125 . . B 2 12.013 10.931 31.199 1 27.3 ? CG2 THR 128 H 1 
ATOM 1318 N N ALA 126 . . B 2 14.514 9.37 33.349 1 30.42 ? N ALA 129 H 1 
ATOM 1319 C CA ALA 126 . . B 2 14.976 7.99 33.457 1 30.85 ? CA ALA 129 H 1 
ATOM 1320 C C ALA 126 . . B 2 14.735 7.541 34.894 1 30.8 ? C ALA 129 H 1 
ATOM 1321 O O ALA 126 . . B 2 13.956 6.657 35.321 1 31.08 ? O ALA 129 H 1 
ATOM 1322 C CB ALA 126 . . B 2 16.435 7.927 32.946 1 28.99 ? CB ALA 129 H 1 
ATOM 1323 N N ALA 127 . A B 2 15.156 8.45 35.767 1 31.4 ? N ALA 129 H 1 
ATOM 1324 C CA ALA 127 . A B 2 15.045 8.276 37.207 1 30.08 ? CA ALA 129 H 1 
ATOM 1325 C C ALA 127 . A B 2 13.612 8.312 37.631 1 30.85 ? C ALA 129 H 1 
ATOM 1326 O O ALA 127 . A B 2 13.27 7.319 38.322 1 32.5 ? O ALA 129 H 1 
ATOM 1327 C CB ALA 127 . A B 2 15.972 9.247 37.896 1 32.86 ? CB ALA 129 H 1 
ATOM 1328 N N SER 128 . B B 2 12.71 9.16 37.189 1 31.57 ? N SER 129 H 1 
ATOM 1329 C CA SER 128 . B B 2 11.326 9.046 37.736 1 31.36 ? CA SER 129 H 1 
ATOM 1330 C C SER 128 . B B 2 10.39 8.083 37.003 1 30.08 ? C SER 129 H 1 
ATOM 1331 O O SER 128 . B B 2 9.341 7.692 37.581 1 29.54 ? O SER 129 H 1 
ATOM 1332 C CB SER 128 . B B 2 10.717 10.436 37.945 1 37.27 ? CB SER 129 H 1 
ATOM 1333 O OG SER 128 . B B 2 10.027 10.929 36.795 1 40.34 ? OG SER 129 H 1 
ATOM 1334 N N LEU 129 . C B 2 10.818 7.52 35.891 1 27.86 ? N LEU 129 H 1 
ATOM 1335 C CA LEU 129 . C B 2 9.893 6.692 35.114 1 27.99 ? CA LEU 129 H 1 
ATOM 1336 C C LEU 129 . C B 2 10.241 5.206 35.242 1 27.33 ? C LEU 129 H 1 
ATOM 1337 O O LEU 129 . C B 2 9.297 4.411 35.327 1 25.64 ? O LEU 129 H 1 
ATOM 1338 C CB LEU 129 . C B 2 9.829 7.197 33.655 1 25.82 ? CB LEU 129 H 1 
ATOM 1339 C CG LEU 129 . C B 2 8.922 8.429 33.439 1 25.66 ? CG LEU 129 H 1 
ATOM 1340 C CD1 LEU 129 . C B 2 8.878 8.693 31.953 1 25.93 ? CD1 LEU 129 H 1 
ATOM 1341 C CD2 LEU 129 . C B 2 7.513 8.267 34.007 1 21.27 ? CD2 LEU 129 H 1 
ATOM 1342 N N LEU 130 . . B 2 11.549 4.994 35.216 1 28.06 ? N LEU 130 H 1 
ATOM 1343 C CA LEU 130 . . B 2 12.013 3.57 35.263 1 28.43 ? CA LEU 130 H 1 
ATOM 1344 C C LEU 130 . . B 2 11.806 2.976 36.653 1 28.77 ? C LEU 130 H 1 
ATOM 1345 O O LEU 130 . . B 2 12.754 2.85 37.454 1 30.23 ? O LEU 130 H 1 
ATOM 1346 C CB LEU 130 . . B 2 13.433 3.565 34.781 1 27.85 ? CB LEU 130 H 1 
ATOM 1347 C CG LEU 130 . . B 2 13.882 3.392 33.359 1 28.68 ? CG LEU 130 H 1 
ATOM 1348 C CD1 LEU 130 . . B 2 15.356 3.003 33.371 1 29.89 ? CD1 LEU 130 H 1 
ATOM 1349 C CD2 LEU 130 . . B 2 13.056 2.286 32.685 1 27.44 ? CD2 LEU 130 H 1 
ATOM 1350 N N GLN 131 . . B 2 10.594 2.701 36.983 1 28.09 ? N GLN 131 H 1 
ATOM 1351 C CA GLN 131 . . B 2 10.131 2.195 38.257 1 29.7 ? CA GLN 131 H 1 
ATOM 1352 C C GLN 131 . . B 2 9.117 1.044 38.003 1 29.79 ? C GLN 131 H 1 
ATOM 1353 O O GLN 131 . . B 2 8.335 0.963 37.045 1 29.44 ? O GLN 131 H 1 
ATOM 1354 C CB GLN 131 . . B 2 9.523 3.319 39.05 1 32.42 ? CB GLN 131 H 1 
ATOM 1355 C CG GLN 131 . . B 2 10.34 4.493 39.509 1 36.6 ? CG GLN 131 H 1 
ATOM 1356 C CD GLN 131 . . B 2 9.473 5.172 40.569 1 43.49 ? CD GLN 131 H 1 
ATOM 1357 O OE1 GLN 131 . . B 2 9.762 6.276 41.069 1 47.81 ? OE1 GLN 131 H 1 
ATOM 1358 N NE2 GLN 131 . . B 2 8.381 4.494 41.003 1 44.6 ? NE2 GLN 131 H 1 
ATOM 1359 N N ALA 132 . . B 2 9.282 0.026 38.851 1 29.76 ? N ALA 132 H 1 
ATOM 1360 C CA ALA 132 . . B 2 8.558 -1.233 38.721 1 28.5 ? CA ALA 132 H 1 
ATOM 1361 C C ALA 132 . . B 2 7.092 -0.809 38.864 1 28.9 ? C ALA 132 H 1 
ATOM 1362 O O ALA 132 . . B 2 6.864 -0.13 39.892 1 27.43 ? O ALA 132 H 1 
ATOM 1363 C CB ALA 132 . . B 2 8.908 -2.211 39.83 1 30.2 ? CB ALA 132 H 1 
ATOM 1364 N N GLY 133 . . B 2 6.346 -1.466 37.983 1 27.83 ? N GLY 133 H 1 
ATOM 1365 C CA GLY 133 . . B 2 4.901 -1.152 38.037 1 28.39 ? CA GLY 133 H 1 
ATOM 1366 C C GLY 133 . . B 2 4.525 -0.216 36.876 1 27.5 ? C GLY 133 H 1 
ATOM 1367 O O GLY 133 . . B 2 3.406 -0.323 36.351 1 28.22 ? O GLY 133 H 1 
ATOM 1368 N N TYR 134 . . B 2 5.505 0.656 36.631 1 26.73 ? N TYR 134 H 1 
ATOM 1369 C CA TYR 134 . . B 2 5.283 1.587 35.513 1 25.81 ? CA TYR 134 H 1 
ATOM 1370 C C TYR 134 . . B 2 5.19 0.79 34.218 1 23.87 ? C TYR 134 H 1 
ATOM 1371 O O TYR 134 . . B 2 6.214 0.202 33.849 1 25.27 ? O TYR 134 H 1 
ATOM 1372 C CB TYR 134 . . B 2 6.367 2.696 35.48 1 23.66 ? CB TYR 134 H 1 
ATOM 1373 C CG TYR 134 . . B 2 6.183 3.783 36.543 1 25.33 ? CG TYR 134 H 1 
ATOM 1374 C CD1 TYR 134 . . B 2 5.475 3.513 37.723 1 24.44 ? CD1 TYR 134 H 1 
ATOM 1375 C CD2 TYR 134 . . B 2 6.73 5.055 36.334 1 25.9 ? CD2 TYR 134 H 1 
ATOM 1376 C CE1 TYR 134 . . B 2 5.327 4.512 38.697 1 25.53 ? CE1 TYR 134 H 1 
ATOM 1377 C CE2 TYR 134 . . B 2 6.584 6.052 37.307 1 28.86 ? CE2 TYR 134 H 1 
ATOM 1378 C CZ TYR 134 . . B 2 5.885 5.78 38.488 1 29.77 ? CZ TYR 134 H 1 
ATOM 1379 O OH TYR 134 . . B 2 5.755 6.751 39.434 1 32.92 ? OH TYR 134 H 1 
ATOM 1380 N N LYS 135 . . B 2 4.295 1.186 33.336 1 23.53 ? N LYS 135 H 1 
ATOM 1381 C CA LYS 135 . . B 2 4.129 0.638 31.989 1 21.76 ? CA LYS 135 H 1 
ATOM 1382 C C LYS 135 . . B 2 4.757 1.484 30.883 1 20.59 ? C LYS 135 H 1 
ATOM 1383 O O LYS 135 . . B 2 4.735 2.694 30.929 1 19.47 ? O LYS 135 H 1 
ATOM 1384 C CB LYS 135 . . B 2 2.635 0.6 31.636 1 23.11 ? CB LYS 135 H 1 
ATOM 1385 C CG LYS 135 . . B 2 1.95 -0.471 32.467 1 23.76 ? CG LYS 135 H 1 
ATOM 1386 C CD LYS 135 . . B 2 0.528 -0.708 32.015 1 22.48 ? CD LYS 135 H 1 
ATOM 1387 C CE LYS 135 . . B 2 -0.053 -1.616 33.089 1 21.84 ? CE LYS 135 H 1 
ATOM 1388 N NZ LYS 135 . . B 2 -1.533 -1.673 33.033 1 28.28 ? NZ LYS 135 H 1 
ATOM 1389 N N GLY 136 . . B 2 5.32 0.81 29.91 1 18.99 ? N GLY 136 H 1 
ATOM 1390 C CA GLY 136 . . B 2 6.018 1.184 28.703 1 17.06 ? CA GLY 136 H 1 
ATOM 1391 C C GLY 136 . . B 2 5.209 0.534 27.548 1 15.86 ? C GLY 136 H 1 
ATOM 1392 O O GLY 136 . . B 2 4.347 -0.284 27.85 1 14.79 ? O GLY 136 H 1 
ATOM 1393 N N ARG 137 . . B 2 5.677 0.72 26.327 1 14.57 ? N ARG 137 H 1 
ATOM 1394 C CA ARG 137 . . B 2 4.886 0.286 25.203 1 14.44 ? CA ARG 137 H 1 
ATOM 1395 C C ARG 137 . . B 2 5.877 -0.354 24.26 1 14.8 ? C ARG 137 H 1 
ATOM 1396 O O ARG 137 . . B 2 6.826 0.424 24.174 1 12.06 ? O ARG 137 H 1 
ATOM 1397 C CB ARG 137 . . B 2 4.21 1.47 24.472 1 16.8 ? CB ARG 137 H 1 
ATOM 1398 C CG ARG 137 . . B 2 3.538 1.329 23.132 1 17.02 ? CG ARG 137 H 1 
ATOM 1399 C CD ARG 137 . . B 2 2.657 2.425 22.604 1 17.33 ? CD ARG 137 H 1 
ATOM 1400 N NE ARG 137 . . B 2 1.383 2.509 23.343 1 17.13 ? NE ARG 137 H 1 
ATOM 1401 C CZ ARG 137 . . B 2 0.67 3.651 23.263 1 22.72 ? CZ ARG 137 H 1 
ATOM 1402 N NH1 ARG 137 . . B 2 1.216 4.619 22.449 1 22.47 ? NH1 ARG 137 H 1 
ATOM 1403 N NH2 ARG 137 . . B 2 -0.442 3.902 23.955 1 19.87 ? NH2 ARG 137 H 1 
ATOM 1404 N N VAL 138 . . B 2 5.543 -1.501 23.653 1 15.12 ? N VAL 138 H 1 
ATOM 1405 C CA VAL 138 . . B 2 6.507 -2.079 22.693 1 15.44 ? CA VAL 138 H 1 
ATOM 1406 C C VAL 138 . . B 2 5.675 -2.158 21.399 1 16.06 ? C VAL 138 H 1 
ATOM 1407 O O VAL 138 . . B 2 4.486 -2.455 21.354 1 16.16 ? O VAL 138 H 1 
ATOM 1408 C CB VAL 138 . . B 2 7.06 -3.506 22.997 1 18.26 ? CB VAL 138 H 1 
ATOM 1409 C CG1 VAL 138 . . B 2 8.434 -3.892 22.514 1 11.9 ? CG1 VAL 138 H 1 
ATOM 1410 C CG2 VAL 138 . . B 2 6.935 -3.947 24.447 1 18.91 ? CG2 VAL 138 H 1 
ATOM 1411 N N THR 139 . . B 2 6.453 -2.134 20.328 1 17.64 ? N THR 139 H 1 
ATOM 1412 C CA THR 139 . . B 2 5.928 -2.28 19.019 1 17.91 ? CA THR 139 H 1 
ATOM 1413 C C THR 139 . . B 2 6.93 -2.964 18.103 1 18.12 ? C THR 139 H 1 
ATOM 1414 O O THR 139 . . B 2 8.137 -2.906 18.278 1 16.73 ? O THR 139 H 1 
ATOM 1415 C CB THR 139 . . B 2 5.476 -0.879 18.394 1 22.29 ? CB THR 139 H 1 
ATOM 1416 O OG1 THR 139 . . B 2 6.791 -0.296 18.142 1 25.07 ? OG1 THR 139 H 1 
ATOM 1417 C CG2 THR 139 . . B 2 4.543 -0.097 19.33 1 19.17 ? CG2 THR 139 H 1 
ATOM 1418 N N GLY 140 . . B 2 6.239 -3.528 17.182 1 16.97 ? N GLY 140 H 1 
ATOM 1419 C CA GLY 140 . . B 2 6.922 -4.344 16.179 1 18.24 ? CA GLY 140 H 1 
ATOM 1420 C C GLY 140 . . B 2 5.917 -5.171 15.377 1 18.61 ? C GLY 140 H 1 
ATOM 1421 O O GLY 140 . . B 2 4.751 -5.321 15.806 1 19.25 ? O GLY 140 H 1 
ATOM 1422 N N TRP 141 . . B 2 6.475 -5.642 14.264 1 20.07 ? N TRP 141 H 1 
ATOM 1423 C CA TRP 141 . . B 2 5.812 -6.471 13.245 1 22.91 ? CA TRP 141 H 1 
ATOM 1424 C C TRP 141 . . B 2 6.213 -7.949 13.398 1 24.12 ? C TRP 141 H 1 
ATOM 1425 O O TRP 141 . . B 2 6.503 -8.639 12.395 1 23.66 ? O TRP 141 H 1 
ATOM 1426 C CB TRP 141 . . B 2 6.253 -6.021 11.848 1 24.98 ? CB TRP 141 H 1 
ATOM 1427 C CG TRP 141 . . B 2 5.757 -4.63 11.418 1 26.81 ? CG TRP 141 H 1 
ATOM 1428 C CD1 TRP 141 . . B 2 4.508 -4.289 11.08 1 26.95 ? CD1 TRP 141 H 1 
ATOM 1429 C CD2 TRP 141 . . B 2 6.57 -3.462 11.308 1 26.17 ? CD2 TRP 141 H 1 
ATOM 1430 N NE1 TRP 141 . . B 2 4.53 -2.903 10.717 1 22.81 ? NE1 TRP 141 H 1 
ATOM 1431 C CE2 TRP 141 . . B 2 5.75 -2.442 10.844 1 26.72 ? CE2 TRP 141 H 1 
ATOM 1432 C CE3 TRP 141 . . B 2 7.926 -3.19 11.543 1 24.78 ? CE3 TRP 141 H 1 
ATOM 1433 C CZ2 TRP 141 . . B 2 6.213 -1.149 10.561 1 26.16 ? CZ2 TRP 141 H 1 
ATOM 1434 C CZ3 TRP 141 . . B 2 8.382 -1.879 11.273 1 28.55 ? CZ3 TRP 141 H 1 
ATOM 1435 C CH2 TRP 141 . . B 2 7.565 -0.91 10.801 1 27.51 ? CH2 TRP 141 H 1 
ATOM 1436 N N GLY 142 . . B 2 6.848 -8.43 14.46 1 24.95 ? N GLY 142 H 1 
ATOM 1437 C CA GLY 142 . . B 2 7.337 -9.784 14.748 1 25.58 ? CA GLY 142 H 1 
ATOM 1438 C C GLY 142 . . B 2 6.174 -10.773 14.954 1 27.84 ? C GLY 142 H 1 
ATOM 1439 O O GLY 142 . . B 2 4.937 -10.62 14.88 1 25.02 ? O GLY 142 H 1 
ATOM 1440 N N ASN 143 . . B 2 6.688 -11.925 15.422 1 29.32 ? N ASN 143 H 1 
ATOM 1441 C CA ASN 143 . . B 2 5.874 -13.126 15.656 1 28.97 ? CA ASN 143 H 1 
ATOM 1442 C C ASN 143 . . B 2 4.688 -12.793 16.546 1 27.12 ? C ASN 143 H 1 
ATOM 1443 O O ASN 143 . . B 2 5.105 -12.217 17.522 1 26.68 ? O ASN 143 H 1 
ATOM 1444 C CB ASN 143 . . B 2 6.672 -14.253 16.292 1 30.27 ? CB ASN 143 H 1 
ATOM 1445 C CG ASN 143 . . B 2 7.671 -14.886 15.352 1 33.06 ? CG ASN 143 H 1 
ATOM 1446 O OD1 ASN 143 . . B 2 7.958 -14.546 14.197 1 30.13 ? OD1 ASN 143 H 1 
ATOM 1447 N ND2 ASN 143 . . B 2 8.221 -15.939 16.027 1 38.66 ? ND2 ASN 143 H 1 
ATOM 1448 N N LEU 144 . . B 2 3.57 -13.413 16.274 1 27.55 ? N LEU 144 H 1 
ATOM 1449 C CA LEU 144 . . B 2 2.345 -13.29 17.029 1 27.49 ? CA LEU 144 H 1 
ATOM 1450 C C LEU 144 . . B 2 2.314 -14.324 18.108 1 27.06 ? C LEU 144 H 1 
ATOM 1451 O O LEU 144 . . B 2 1.354 -14.145 18.857 1 27.55 ? O LEU 144 H 1 
ATOM 1452 C CB LEU 144 . . B 2 1.025 -13.358 16.247 1 29.97 ? CB LEU 144 H 1 
ATOM 1453 C CG LEU 144 . . B 2 0.854 -12.204 15.254 1 32.26 ? CG LEU 144 H 1 
ATOM 1454 C CD1 LEU 144 . . B 2 -0.102 -12.531 14.126 1 28.68 ? CD1 LEU 144 H 1 
ATOM 1455 C CD2 LEU 144 . . B 2 0.407 -10.982 16.091 1 31.85 ? CD2 LEU 144 H 1 
ATOM 1456 N N LYS 145 . . B 2 3.133 -15.34 17.998 1 28.98 ? N LYS 145 H 1 
ATOM 1457 C CA LYS 145 . . B 2 3.148 -16.354 19.112 1 31.41 ? CA LYS 145 H 1 
ATOM 1458 C C LYS 145 . . B 2 4.512 -17.056 19.046 1 31.34 ? C LYS 145 H 1 
ATOM 1459 O O LYS 145 . . B 2 5.208 -16.951 18.01 1 30.07 ? O LYS 145 H 1 
ATOM 1460 C CB LYS 145 . . B 2 2.028 -17.337 19.301 1 35.4 ? CB LYS 145 H 1 
ATOM 1461 C CG LYS 145 . . B 2 1.415 -17.95 18.03 1 42.15 ? CG LYS 145 H 1 
ATOM 1462 C CD LYS 145 . . B 2 0.403 -19.061 18.433 1 46.19 ? CD LYS 145 H 1 
ATOM 1463 C CE LYS 145 . . B 2 -0.831 -19.018 17.52 1 47.54 ? CE LYS 145 H 1 
ATOM 1464 N NZ LYS 145 . . B 2 -1.03 -17.57 17.13 1 50 ? NZ LYS 145 H 1 
ATOM 1465 N N GLU 146 . . B 2 4.841 -17.622 20.208 1 32.42 ? N GLU 146 H 1 
ATOM 1466 C CA GLU 146 . . B 2 6.209 -18.149 20.306 1 35.71 ? CA GLU 146 H 1 
ATOM 1467 C C GLU 146 . . B 2 6.7 -19.132 19.281 1 38.65 ? C GLU 146 H 1 
ATOM 1468 O O GLU 146 . . B 2 7.882 -19.425 19.03 1 39.98 ? O GLU 146 H 1 
ATOM 1469 C CB GLU 146 . . B 2 6.452 -18.861 21.641 1 36.51 ? CB GLU 146 H 1 
ATOM 1470 C CG GLU 146 . . B 2 7.888 -19.392 21.607 1 38.21 ? CG GLU 146 H 1 
ATOM 1471 C CD GLU 146 . . B 2 8.31 -19.881 22.967 1 39.67 ? CD GLU 146 H 1 
ATOM 1472 O OE1 GLU 146 . . B 2 7.47 -19.528 23.832 1 37.46 ? OE1 GLU 146 H 1 
ATOM 1473 O OE2 GLU 146 . . B 2 9.331 -20.555 22.948 1 41.72 ? OE2 GLU 146 H 1 
ATOM 1474 N N THR 147 . . B 2 5.735 -19.898 18.836 1 41.9 ? N THR 147 H 1 
ATOM 1475 C CA THR 147 . . B 2 5.713 -20.993 17.862 1 43.59 ? CA THR 147 H 1 
ATOM 1476 C C THR 147 . . B 2 4.195 -21.332 17.794 1 44.57 ? C THR 147 H 1 
ATOM 1477 O O THR 147 . . B 2 3.591 -21.235 18.934 1 46.31 ? O THR 147 H 1 
ATOM 1478 C CB THR 147 . . B 2 6.671 -22.204 18.207 1 43.66 ? CB THR 147 H 1 
ATOM 1479 O OG1 THR 147 . . B 2 6.84 -23.011 16.97 1 44.29 ? OG1 THR 147 H 1 
ATOM 1480 C CG2 THR 147 . . B 2 6.242 -23.139 19.345 1 43.36 ? CG2 THR 147 H 1 
ATOM 1481 N N GLY 155 . . B 2 0.942 -16.292 13.477 1 39.25 ? N GLY 150 H 1 
ATOM 1482 C CA GLY 155 . . B 2 1.815 -16.012 12.319 1 38.09 ? CA GLY 150 H 1 
ATOM 1483 C C GLY 155 . . B 2 2.401 -14.606 12.451 1 38.07 ? C GLY 150 H 1 
ATOM 1484 O O GLY 155 . . B 2 2.635 -14.122 13.567 1 37.78 ? O GLY 150 H 1 
ATOM 1485 N N GLN 156 . . B 2 2.633 -13.988 11.295 1 37.26 ? N GLN 151 H 1 
ATOM 1486 C CA GLN 156 . . B 2 3.154 -12.605 11.229 1 37.54 ? CA GLN 151 H 1 
ATOM 1487 C C GLN 156 . . B 2 1.962 -11.685 11.001 1 36.74 ? C GLN 151 H 1 
ATOM 1488 O O GLN 156 . . B 2 0.844 -12.166 10.725 1 37.57 ? O GLN 151 H 1 
ATOM 1489 C CB GLN 156 . . B 2 4.184 -12.419 10.069 1 40.07 ? CB GLN 151 H 1 
ATOM 1490 C CG GLN 156 . . B 2 5.652 -12.741 10.477 1 47.34 ? CG GLN 151 H 1 
ATOM 1491 C CD GLN 156 . . B 2 6.687 -11.61 10.178 1 48.98 ? CD GLN 151 H 1 
ATOM 1492 O OE1 GLN 156 . . B 2 6.954 -11.282 9.016 1 49.79 ? OE1 GLN 151 H 1 
ATOM 1493 N NE2 GLN 156 . . B 2 7.306 -10.987 11.17 1 48.44 ? NE2 GLN 151 H 1 
ATOM 1494 N N PRO 157 . . B 2 2.046 -10.476 11.451 1 34.98 ? N PRO 152 H 1 
ATOM 1495 C CA PRO 157 . . B 2 0.899 -9.545 11.501 1 31.59 ? CA PRO 152 H 1 
ATOM 1496 C C PRO 157 . . B 2 0.876 -8.866 10.14 1 28.03 ? C PRO 152 H 1 
ATOM 1497 O O PRO 157 . . B 2 1.919 -8.961 9.455 1 25.86 ? O PRO 152 H 1 
ATOM 1498 C CB PRO 157 . . B 2 1.212 -8.613 12.675 1 31.86 ? CB PRO 152 H 1 
ATOM 1499 C CG PRO 157 . . B 2 2.641 -8.92 13.097 1 33.03 ? CG PRO 152 H 1 
ATOM 1500 C CD PRO 157 . . B 2 3.225 -9.904 12.116 1 34.57 ? CD PRO 152 H 1 
ATOM 1501 N N SER 158 . . B 2 -0.267 -8.264 9.776 1 26.59 ? N SER 153 H 1 
ATOM 1502 C CA SER 158 . . B 2 -0.254 -7.496 8.506 1 26.01 ? CA SER 153 H 1 
ATOM 1503 C C SER 158 . . B 2 0.119 -6.041 8.862 1 25.6 ? C SER 153 H 1 
ATOM 1504 O O SER 158 . . B 2 0.808 -5.298 8.141 1 26.72 ? O SER 153 H 1 
ATOM 1505 C CB SER 158 . . B 2 -1.516 -7.543 7.673 1 25.5 ? CB SER 153 H 1 
ATOM 1506 O OG SER 158 . . B 2 -2.644 -7.322 8.488 1 27.21 ? OG SER 153 H 1 
ATOM 1507 N N VAL 159 . . B 2 -0.205 -5.65 10.049 1 25.39 ? N VAL 154 H 1 
ATOM 1508 C CA VAL 159 . . B 2 0.026 -4.306 10.625 1 25.07 ? CA VAL 154 H 1 
ATOM 1509 C C VAL 159 . . B 2 0.946 -4.335 11.849 1 23.31 ? C VAL 154 H 1 
ATOM 1510 O O VAL 159 . . B 2 1.01 -5.271 12.659 1 23.28 ? O VAL 154 H 1 
ATOM 1511 C CB VAL 159 . . B 2 -1.446 -3.859 10.881 1 24.83 ? CB VAL 154 H 1 
ATOM 1512 C CG1 VAL 159 . . B 2 -1.809 -3.314 12.242 1 25.01 ? CG1 VAL 154 H 1 
ATOM 1513 C CG2 VAL 159 . . B 2 -1.907 -2.873 9.834 1 25.79 ? CG2 VAL 154 H 1 
ATOM 1514 N N LEU 160 . . B 2 1.556 -3.17 12.102 1 23.01 ? N LEU 155 H 1 
ATOM 1515 C CA LEU 160 . . B 2 2.345 -2.935 13.328 1 19.99 ? CA LEU 155 H 1 
ATOM 1516 C C LEU 160 . . B 2 1.558 -3.299 14.539 1 16.65 ? C LEU 155 H 1 
ATOM 1517 O O LEU 160 . . B 2 0.4 -2.906 14.562 1 17.25 ? O LEU 155 H 1 
ATOM 1518 C CB LEU 160 . . B 2 2.772 -1.43 13.343 1 16.09 ? CB LEU 155 H 1 
ATOM 1519 C CG LEU 160 . . B 2 3.634 -1.197 14.601 1 17.12 ? CG LEU 155 H 1 
ATOM 1520 C CD1 LEU 160 . . B 2 4.951 -1.909 14.411 1 10 ? CD1 LEU 155 H 1 
ATOM 1521 C CD2 LEU 160 . . B 2 3.857 0.323 14.745 1 19.07 ? CD2 LEU 155 H 1 
ATOM 1522 N N GLN 161 . . B 2 2.04 -3.948 15.558 1 17.48 ? N GLN 156 H 1 
ATOM 1523 C CA GLN 161 . . B 2 1.28 -4.349 16.767 1 15.63 ? CA GLN 156 H 1 
ATOM 1524 C C GLN 161 . . B 2 1.848 -3.539 17.96 1 16.02 ? C GLN 156 H 1 
ATOM 1525 O O GLN 161 . . B 2 3.038 -3.22 17.873 1 12.89 ? O GLN 156 H 1 
ATOM 1526 C CB GLN 161 . . B 2 1.509 -5.821 17.172 1 18.96 ? CB GLN 156 H 1 
ATOM 1527 C CG GLN 161 . . B 2 1.085 -6.917 16.195 1 16.11 ? CG GLN 156 H 1 
ATOM 1528 C CD GLN 161 . . B 2 -0.432 -6.778 16.08 1 18.91 ? CD GLN 156 H 1 
ATOM 1529 O OE1 GLN 161 . . B 2 -0.743 -6.209 15.034 1 18.31 ? OE1 GLN 156 H 1 
ATOM 1530 N NE2 GLN 161 . . B 2 -1.154 -6.914 17.199 1 16.27 ? NE2 GLN 156 H 1 
ATOM 1531 N N VAL 162 . . B 2 1.053 -3.528 19.004 1 16.76 ? N VAL 157 H 1 
ATOM 1532 C CA VAL 162 . . B 2 1.539 -2.771 20.174 1 19.87 ? CA VAL 157 H 1 
ATOM 1533 C C VAL 162 . . B 2 1.103 -3.433 21.481 1 19.47 ? C VAL 157 H 1 
ATOM 1534 O O VAL 162 . . B 2 -0.057 -3.87 21.404 1 18.7 ? O VAL 157 H 1 
ATOM 1535 C CB VAL 162 . . B 2 0.88 -1.365 19.94 1 21.47 ? CB VAL 157 H 1 
ATOM 1536 C CG1 VAL 162 . . B 2 1.241 -1.026 18.483 1 27.47 ? CG1 VAL 157 H 1 
ATOM 1537 C CG2 VAL 162 . . B 2 -0.614 -1.232 20.078 1 22.27 ? CG2 VAL 157 H 1 
ATOM 1538 N N VAL 163 . . B 2 1.926 -3.339 22.534 1 18.48 ? N VAL 158 H 1 
ATOM 1539 C CA VAL 163 . . B 2 1.437 -3.898 23.813 1 18.54 ? CA VAL 158 H 1 
ATOM 1540 C C VAL 163 . . B 2 2.048 -3.004 24.908 1 19.68 ? C VAL 158 H 1 
ATOM 1541 O O VAL 163 . . B 2 3.071 -2.395 24.646 1 19.16 ? O VAL 158 H 1 
ATOM 1542 C CB VAL 163 . . B 2 1.769 -5.38 23.822 1 19.25 ? CB VAL 158 H 1 
ATOM 1543 C CG1 VAL 163 . . B 2 3.266 -5.551 23.692 1 16.98 ? CG1 VAL 158 H 1 
ATOM 1544 C CG2 VAL 163 . . B 2 1.204 -6.155 25.004 1 19.83 ? CG2 VAL 158 H 1 
ATOM 1545 N N ASN 164 . . B 2 1.399 -2.816 26.044 1 19.78 ? N ASN 159 H 1 
ATOM 1546 C CA ASN 164 . . B 2 1.912 -1.96 27.088 1 20.6 ? CA ASN 159 H 1 
ATOM 1547 C C ASN 164 . . B 2 2.354 -2.932 28.154 1 19.56 ? C ASN 159 H 1 
ATOM 1548 O O ASN 164 . . B 2 1.405 -3.607 28.585 1 21.64 ? O ASN 159 H 1 
ATOM 1549 C CB ASN 164 . . B 2 0.771 -1.038 27.593 1 23.02 ? CB ASN 159 H 1 
ATOM 1550 C CG ASN 164 . . B 2 0.279 -0.065 26.536 1 24.32 ? CG ASN 159 H 1 
ATOM 1551 O OD1 ASN 164 . . B 2 0.989 0.204 25.527 1 25.08 ? OD1 ASN 159 H 1 
ATOM 1552 N ND2 ASN 164 . . B 2 -0.994 0.28 26.562 1 25.13 ? ND2 ASN 159 H 1 
ATOM 1553 N N LEU 165 . . B 2 3.469 -2.846 28.766 1 20.18 ? N LEU 160 H 1 
ATOM 1554 C CA LEU 165 . . B 2 3.902 -3.742 29.856 1 21.41 ? CA LEU 160 H 1 
ATOM 1555 C C LEU 165 . . B 2 4.4 -2.994 31.072 1 23.18 ? C LEU 160 H 1 
ATOM 1556 O O LEU 165 . . B 2 5.123 -1.99 31.073 1 22.36 ? O LEU 160 H 1 
ATOM 1557 C CB LEU 165 . . B 2 4.996 -4.61 29.165 1 21.99 ? CB LEU 160 H 1 
ATOM 1558 C CG LEU 165 . . B 2 4.565 -5.372 27.927 1 23.14 ? CG LEU 160 H 1 
ATOM 1559 C CD1 LEU 165 . . B 2 5.688 -5.839 27.02 1 24.63 ? CD1 LEU 160 H 1 
ATOM 1560 C CD2 LEU 165 . . B 2 3.737 -6.598 28.363 1 23.38 ? CD2 LEU 160 H 1 
ATOM 1561 N N PRO 166 . . B 2 4.267 -3.602 32.245 1 24.75 ? N PRO 161 H 1 
ATOM 1562 C CA PRO 166 . . B 2 4.793 -2.988 33.479 1 24.83 ? CA PRO 161 H 1 
ATOM 1563 C C PRO 166 . . B 2 6.266 -3.341 33.608 1 25.11 ? C PRO 161 H 1 
ATOM 1564 O O PRO 166 . . B 2 6.659 -4.367 33.035 1 24.73 ? O PRO 161 H 1 
ATOM 1565 C CB PRO 166 . . B 2 3.973 -3.614 34.584 1 25.17 ? CB PRO 161 H 1 
ATOM 1566 C CG PRO 166 . . B 2 3.116 -4.701 33.948 1 25.23 ? CG PRO 161 H 1 
ATOM 1567 C CD PRO 166 . . B 2 3.46 -4.801 32.487 1 25.58 ? CD PRO 161 H 1 
ATOM 1568 N N ILE 167 . . B 2 7.089 -2.486 34.186 1 25 ? N ILE 162 H 1 
ATOM 1569 C CA ILE 167 . . B 2 8.503 -2.614 34.488 1 24.63 ? CA ILE 162 H 1 
ATOM 1570 C C ILE 167 . . B 2 8.475 -3.579 35.723 1 24.51 ? C ILE 162 H 1 
ATOM 1571 O O ILE 167 . . B 2 7.661 -3.356 36.625 1 25.17 ? O ILE 162 H 1 
ATOM 1572 C CB ILE 167 . . B 2 9.295 -1.34 34.921 1 24.38 ? CB ILE 162 H 1 
ATOM 1573 C CG1 ILE 167 . . B 2 9.372 -0.209 33.84 1 27.59 ? CG1 ILE 162 H 1 
ATOM 1574 C CG2 ILE 167 . . B 2 10.788 -1.637 35.263 1 26.47 ? CG2 ILE 162 H 1 
ATOM 1575 C CD1 ILE 167 . . B 2 9.636 -0.833 32.453 1 26.88 ? CD1 ILE 162 H 1 
ATOM 1576 N N VAL 168 . . B 2 9.365 -4.526 35.78 1 24.01 ? N VAL 163 H 1 
ATOM 1577 C CA VAL 168 . . B 2 9.403 -5.596 36.812 1 24.97 ? CA VAL 163 H 1 
ATOM 1578 C C VAL 168 . . B 2 10.703 -5.347 37.622 1 24.12 ? C VAL 163 H 1 
ATOM 1579 O O VAL 168 . . B 2 11.803 -5.044 37.121 1 23.07 ? O VAL 163 H 1 
ATOM 1580 C CB VAL 168 . . B 2 9.299 -7.019 36.147 1 23.47 ? CB VAL 163 H 1 
ATOM 1581 C CG1 VAL 168 . . B 2 9.441 -8.255 37.049 1 21.3 ? CG1 VAL 163 H 1 
ATOM 1582 C CG2 VAL 168 . . B 2 8.141 -7.227 35.188 1 23.15 ? CG2 VAL 163 H 1 
ATOM 1583 N N GLU 169 . . B 2 10.537 -5.661 38.881 1 25.82 ? N GLU 164 H 1 
ATOM 1584 C CA GLU 169 . . B 2 11.578 -5.524 39.924 1 28.85 ? CA GLU 164 H 1 
ATOM 1585 C C GLU 169 . . B 2 12.759 -6.415 39.574 1 28.44 ? C GLU 164 H 1 
ATOM 1586 O O GLU 169 . . B 2 12.546 -7.396 38.841 1 28.2 ? O GLU 164 H 1 
ATOM 1587 C CB GLU 169 . . B 2 10.962 -5.782 41.277 1 33.8 ? CB GLU 164 H 1 
ATOM 1588 C CG GLU 169 . . B 2 9.733 -5.043 41.776 1 39.68 ? CG GLU 164 H 1 
ATOM 1589 C CD GLU 169 . . B 2 8.377 -5.524 41.334 1 46.44 ? CD GLU 164 H 1 
ATOM 1590 O OE1 GLU 169 . . B 2 8.421 -6.272 40.304 1 48.54 ? OE1 GLU 164 H 1 
ATOM 1591 O OE2 GLU 169 . . B 2 7.273 -5.122 41.765 1 49.9 ? OE2 GLU 164 H 1 
ATOM 1592 N N ARG 170 . . B 2 13.966 -5.911 39.683 1 28.93 ? N ARG 165 H 1 
ATOM 1593 C CA ARG 170 . . B 2 15.22 -6.561 39.278 1 30.53 ? CA ARG 165 H 1 
ATOM 1594 C C ARG 170 . . B 2 15.31 -8.024 39.764 1 29.51 ? C ARG 165 H 1 
ATOM 1595 O O ARG 170 . . B 2 15.742 -8.897 39.04 1 29.56 ? O ARG 165 H 1 
ATOM 1596 C CB ARG 170 . . B 2 16.446 -5.861 39.828 1 37.06 ? CB ARG 165 H 1 
ATOM 1597 C CG ARG 170 . . B 2 17.31 -4.772 39.254 1 42.49 ? CG ARG 165 H 1 
ATOM 1598 C CD ARG 170 . . B 2 17.386 -4.85 37.771 1 48.15 ? CD ARG 165 H 1 
ATOM 1599 N NE ARG 170 . . B 2 18.686 -4.624 37.131 1 47.9 ? NE ARG 165 H 1 
ATOM 1600 C CZ ARG 170 . . B 2 18.953 -5.43 36.067 1 50 ? CZ ARG 165 H 1 
ATOM 1601 N NH1 ARG 170 . . B 2 18.02 -6.356 35.733 1 50 ? NH1 ARG 165 H 1 
ATOM 1602 N NH2 ARG 170 . . B 2 20.093 -5.285 35.385 1 49.29 ? NH2 ARG 165 H 1 
ATOM 1603 N N PRO 171 . . B 2 15.192 -8.16 41.07 1 29 ? N PRO 166 H 1 
ATOM 1604 C CA PRO 171 . . B 2 15.262 -9.421 41.776 1 28.85 ? CA PRO 166 H 1 
ATOM 1605 C C PRO 171 . . B 2 14.295 -10.398 41.135 1 28.63 ? C PRO 166 H 1 
ATOM 1606 O O PRO 171 . . B 2 14.761 -11.508 40.928 1 28.72 ? O PRO 166 H 1 
ATOM 1607 C CB PRO 171 . . B 2 14.933 -9.118 43.216 1 29.15 ? CB PRO 166 H 1 
ATOM 1608 C CG PRO 171 . . B 2 14.702 -7.612 43.302 1 29.23 ? CG PRO 166 H 1 
ATOM 1609 C CD PRO 171 . . B 2 14.909 -7.005 41.935 1 29.25 ? CD PRO 166 H 1 
ATOM 1610 N N VAL 172 . . B 2 13.091 -9.99 40.811 1 27.57 ? N VAL 167 H 1 
ATOM 1611 C CA VAL 172 . . B 2 12.148 -10.857 40.084 1 28.15 ? CA VAL 167 H 1 
ATOM 1612 C C VAL 172 . . B 2 12.804 -11.243 38.75 1 28.24 ? C VAL 167 H 1 
ATOM 1613 O O VAL 172 . . B 2 12.796 -12.358 38.19 1 28.37 ? O VAL 167 H 1 
ATOM 1614 C CB VAL 172 . . B 2 10.781 -10.156 39.935 1 28.09 ? CB VAL 167 H 1 
ATOM 1615 C CG1 VAL 172 . . B 2 9.81 -10.839 38.969 1 26.3 ? CG1 VAL 167 H 1 
ATOM 1616 C CG2 VAL 172 . . B 2 10.044 -9.933 41.248 1 27.42 ? CG2 VAL 167 H 1 
ATOM 1617 N N CYS 173 . . B 2 13.463 -10.226 38.157 1 27.72 ? N CYS 168 H 1 
ATOM 1618 C CA CYS 173 . . B 2 14.101 -10.386 36.832 1 25.68 ? CA CYS 168 H 1 
ATOM 1619 C C CYS 173 . . B 2 15.06 -11.587 36.867 1 25.16 ? C CYS 168 H 1 
ATOM 1620 O O CYS 173 . . B 2 14.931 -12.541 36.066 1 23.47 ? O CYS 168 H 1 
ATOM 1621 C CB CYS 173 . . B 2 14.609 -9.091 36.22 1 25.25 ? CB CYS 168 H 1 
ATOM 1622 S SG CYS 173 . . B 2 13.29 -7.83 35.835 1 23.97 ? SG CYS 168 H 1 
ATOM 1623 N N LYS 174 . . B 2 16.094 -11.433 37.66 1 25.07 ? N LYS 169 H 1 
ATOM 1624 C CA LYS 174 . . B 2 17.11 -12.417 37.962 1 25.9 ? CA LYS 169 H 1 
ATOM 1625 C C LYS 174 . . B 2 16.591 -13.839 38.227 1 23.24 ? C LYS 169 H 1 
ATOM 1626 O O LYS 174 . . B 2 17.059 -14.828 37.703 1 25.65 ? O LYS 169 H 1 
ATOM 1627 C CB LYS 174 . . B 2 17.626 -11.99 39.361 1 29.38 ? CB LYS 169 H 1 
ATOM 1628 C CG LYS 174 . . B 2 18.371 -10.678 39.403 1 34.18 ? CG LYS 169 H 1 
ATOM 1629 C CD LYS 174 . . B 2 19.876 -10.977 39.256 1 38.6 ? CD LYS 169 H 1 
ATOM 1630 C CE LYS 174 . . B 2 20.59 -9.654 39.552 1 42 ? CE LYS 169 H 1 
ATOM 1631 N NZ LYS 174 . . B 2 19.581 -8.852 40.335 1 47.83 ? NZ LYS 169 H 1 
ATOM 1632 N N ASP 175 . . B 2 15.661 -13.98 39.139 1 23.06 ? N ASP 170 H 1 
ATOM 1633 C CA ASP 175 . . B 2 14.967 -15.133 39.684 1 21.42 ? CA ASP 170 H 1 
ATOM 1634 C C ASP 175 . . B 2 14.206 -15.946 38.659 1 20.52 ? C ASP 170 H 1 
ATOM 1635 O O ASP 175 . . B 2 13.723 -17.05 38.972 1 18.71 ? O ASP 170 H 1 
ATOM 1636 C CB ASP 175 . . B 2 14.033 -14.713 40.831 1 19.28 ? CB ASP 170 H 1 
ATOM 1637 C CG ASP 175 . . B 2 14.858 -14.76 42.125 1 21.03 ? CG ASP 170 H 1 
ATOM 1638 O OD1 ASP 175 . . B 2 16.108 -14.956 41.998 1 20.54 ? OD1 ASP 170 H 1 
ATOM 1639 O OD2 ASP 175 . . B 2 14.374 -14.562 43.24 1 20.64 ? OD2 ASP 170 H 1 
ATOM 1640 N N SER 176 . . B 2 14.176 -15.362 37.484 1 20.78 ? N SER 171 H 1 
ATOM 1641 C CA SER 176 . . B 2 13.346 -15.861 36.364 1 21.59 ? CA SER 171 H 1 
ATOM 1642 C C SER 176 . . B 2 14.19 -16.477 35.281 1 21.23 ? C SER 171 H 1 
ATOM 1643 O O SER 176 . . B 2 13.656 -16.86 34.249 1 23.76 ? O SER 171 H 1 
ATOM 1644 C CB SER 176 . . B 2 12.446 -14.754 35.781 1 24.21 ? CB SER 171 H 1 
ATOM 1645 O OG SER 176 . . B 2 12.976 -13.814 34.866 1 19.43 ? OG SER 171 H 1 
ATOM 1646 N N THR 177 . . B 2 15.481 -16.393 35.353 1 20.28 ? N THR 172 H 1 
ATOM 1647 C CA THR 177 . . B 2 16.343 -16.981 34.309 1 18.73 ? CA THR 172 H 1 
ATOM 1648 C C THR 177 . . B 2 17.618 -17.48 35.03 1 19.01 ? C THR 172 H 1 
ATOM 1649 O O THR 177 . . B 2 18.012 -16.942 36.153 1 18.06 ? O THR 172 H 1 
ATOM 1650 C CB THR 177 . . B 2 16.623 -15.729 33.375 1 17.78 ? CB THR 172 H 1 
ATOM 1651 O OG1 THR 177 . . B 2 17.657 -16.063 32.397 1 22 ? OG1 THR 172 H 1 
ATOM 1652 C CG2 THR 177 . . B 2 17.11 -14.473 34.155 1 14.19 ? CG2 THR 172 H 1 
ATOM 1653 N N ARG 178 . . B 2 18.446 -18.061 34.194 1 19.21 ? N ARG 173 H 1 
ATOM 1654 C CA ARG 178 . . B 2 19.734 -18.595 34.533 1 22.2 ? CA ARG 173 H 1 
ATOM 1655 C C ARG 178 . . B 2 20.835 -17.787 33.817 1 21.85 ? C ARG 173 H 1 
ATOM 1656 O O ARG 178 . . B 2 22.012 -18.133 34.03 1 20.48 ? O ARG 173 H 1 
ATOM 1657 C CB ARG 178 . . B 2 20.087 -20.045 34.188 1 30.68 ? CB ARG 173 H 1 
ATOM 1658 C CG ARG 178 . . B 2 19.034 -21.134 34.344 1 36.37 ? CG ARG 173 H 1 
ATOM 1659 C CD ARG 178 . . B 2 19.327 -22.297 33.45 1 40.13 ? CD ARG 173 H 1 
ATOM 1660 N NE ARG 178 . . B 2 20.522 -23.128 33.782 1 44.45 ? NE ARG 173 H 1 
ATOM 1661 C CZ ARG 178 . . B 2 20.419 -24.433 33.38 1 45.78 ? CZ ARG 173 H 1 
ATOM 1662 N NH1 ARG 178 . . B 2 19.2 -24.854 32.954 1 45.46 ? NH1 ARG 173 H 1 
ATOM 1663 N NH2 ARG 178 . . B 2 21.38 -25.341 33.449 1 44.03 ? NH2 ARG 173 H 1 
ATOM 1664 N N ILE 179 . . B 2 20.366 -16.846 33.016 1 21.86 ? N ILE 174 H 1 
ATOM 1665 C CA ILE 179 . . B 2 21.331 -15.935 32.317 1 21.1 ? CA ILE 174 H 1 
ATOM 1666 C C ILE 179 . . B 2 21.766 -14.864 33.339 1 21.01 ? C ILE 174 H 1 
ATOM 1667 O O ILE 179 . . B 2 21.011 -14.467 34.257 1 17.88 ? O ILE 174 H 1 
ATOM 1668 C CB ILE 179 . . B 2 20.632 -15.24 31.094 1 21.69 ? CB ILE 174 H 1 
ATOM 1669 C CG1 ILE 179 . . B 2 20.054 -16.323 30.135 1 22.43 ? CG1 ILE 174 H 1 
ATOM 1670 C CG2 ILE 179 . . B 2 21.557 -14.255 30.339 1 21.66 ? CG2 ILE 174 H 1 
ATOM 1671 C CD1 ILE 179 . . B 2 21.212 -16.882 29.249 1 20.63 ? CD1 ILE 174 H 1 
ATOM 1672 N N ARG 180 . . B 2 23.068 -14.547 33.258 1 22.94 ? N ARG 175 H 1 
ATOM 1673 C CA ARG 180 . . B 2 23.458 -13.435 34.206 1 23.3 ? CA ARG 175 H 1 
ATOM 1674 C C ARG 180 . . B 2 23.117 -12.063 33.583 1 23.78 ? C ARG 175 H 1 
ATOM 1675 O O ARG 180 . . B 2 23.608 -11.523 32.539 1 24.53 ? O ARG 175 H 1 
ATOM 1676 C CB ARG 180 . . B 2 24.89 -13.648 34.612 1 24.17 ? CB ARG 175 H 1 
ATOM 1677 C CG ARG 180 . . B 2 25.597 -12.407 35.193 1 27.06 ? CG ARG 175 H 1 
ATOM 1678 C CD ARG 180 . . B 2 27.074 -12.509 35.309 1 29.27 ? CD ARG 175 H 1 
ATOM 1679 N NE ARG 180 . . B 2 27.782 -12.43 34.04 1 29.36 ? NE ARG 175 H 1 
ATOM 1680 C CZ ARG 180 . . B 2 28.16 -11.301 33.415 1 29.95 ? CZ ARG 175 H 1 
ATOM 1681 N NH1 ARG 180 . . B 2 27.874 -10.121 33.958 1 28.52 ? NH1 ARG 175 H 1 
ATOM 1682 N NH2 ARG 180 . . B 2 28.821 -11.368 32.261 1 28.14 ? NH2 ARG 175 H 1 
ATOM 1683 N N ILE 181 . . B 2 22.254 -11.351 34.243 1 24.45 ? N ILE 176 H 1 
ATOM 1684 C CA ILE 181 . . B 2 21.601 -10.033 34.073 1 24.79 ? CA ILE 176 H 1 
ATOM 1685 C C ILE 181 . . B 2 22.581 -8.961 34.564 1 25.93 ? C ILE 176 H 1 
ATOM 1686 O O ILE 181 . . B 2 23.231 -9.054 35.635 1 24.99 ? O ILE 176 H 1 
ATOM 1687 C CB ILE 181 . . B 2 20.272 -10.223 34.892 1 25.34 ? CB ILE 176 H 1 
ATOM 1688 C CG1 ILE 181 . . B 2 19.236 -11.098 34.133 1 24.73 ? CG1 ILE 176 H 1 
ATOM 1689 C CG2 ILE 181 . . B 2 19.438 -9.095 35.524 1 25.76 ? CG2 ILE 176 H 1 
ATOM 1690 C CD1 ILE 181 . . B 2 19.303 -11.179 32.62 1 24.41 ? CD1 ILE 176 H 1 
ATOM 1691 N N THR 182 . . B 2 22.861 -7.937 33.777 1 26.69 ? N THR 177 H 1 
ATOM 1692 C CA THR 182 . . B 2 23.738 -6.804 34.167 1 25.94 ? CA THR 177 H 1 
ATOM 1693 C C THR 182 . . B 2 22.889 -5.551 34.291 1 27.48 ? C THR 177 H 1 
ATOM 1694 O O THR 182 . . B 2 21.747 -5.559 33.784 1 29.73 ? O THR 177 H 1 
ATOM 1695 C CB THR 182 . . B 2 24.771 -6.657 33.024 1 24.25 ? CB THR 177 H 1 
ATOM 1696 O OG1 THR 182 . . B 2 23.937 -6.019 31.97 1 26.98 ? OG1 THR 177 H 1 
ATOM 1697 C CG2 THR 182 . . B 2 25.47 -7.894 32.486 1 23.52 ? CG2 THR 177 H 1 
ATOM 1698 N N ASP 183 . . B 2 23.302 -4.481 34.916 1 27.5 ? N ASP 178 H 1 
ATOM 1699 C CA ASP 183 . . B 2 22.742 -3.151 35.1 1 26.08 ? CA ASP 178 H 1 
ATOM 1700 C C ASP 183 . . B 2 22.316 -2.487 33.783 1 25.14 ? C ASP 178 H 1 
ATOM 1701 O O ASP 183 . . B 2 21.292 -1.817 33.817 1 25.69 ? O ASP 178 H 1 
ATOM 1702 C CB ASP 183 . . B 2 23.773 -2.206 35.766 1 29.93 ? CB ASP 178 H 1 
ATOM 1703 C CG ASP 183 . . B 2 23.718 -2.56 37.279 1 29.4 ? CG ASP 178 H 1 
ATOM 1704 O OD1 ASP 183 . . B 2 22.746 -3.202 37.692 1 29.59 ? OD1 ASP 178 H 1 
ATOM 1705 O OD2 ASP 183 . . B 2 24.716 -2.247 37.912 1 30.76 ? OD2 ASP 178 H 1 
ATOM 1706 N N ASN 184 . . B 2 22.924 -2.893 32.688 1 23.4 ? N ASN 179 H 1 
ATOM 1707 C CA ASN 184 . . B 2 22.475 -2.451 31.369 1 20.59 ? CA ASN 179 H 1 
ATOM 1708 C C ASN 184 . . B 2 21.189 -3.137 30.945 1 18.68 ? C ASN 179 H 1 
ATOM 1709 O O ASN 184 . . B 2 21.028 -3.095 29.676 1 18.06 ? O ASN 179 H 1 
ATOM 1710 C CB ASN 184 . . B 2 23.55 -2.748 30.311 1 16.95 ? CB ASN 179 H 1 
ATOM 1711 C CG ASN 184 . . B 2 24.888 -2.311 30.767 1 20.45 ? CG ASN 179 H 1 
ATOM 1712 O OD1 ASN 184 . . B 2 24.829 -1.19 31.316 1 18.34 ? OD1 ASN 179 H 1 
ATOM 1713 N ND2 ASN 184 . . B 2 26.056 -2.98 30.612 1 19.8 ? ND2 ASN 179 H 1 
ATOM 1714 N N MET 185 . . B 2 20.477 -3.859 31.807 1 17.4 ? N MET 180 H 1 
ATOM 1715 C CA MET 185 . . B 2 19.265 -4.536 31.291 1 16.35 ? CA MET 180 H 1 
ATOM 1716 C C MET 185 . . B 2 18.111 -4.276 32.244 1 16.56 ? C MET 180 H 1 
ATOM 1717 O O MET 185 . . B 2 18.339 -3.887 33.375 1 17.77 ? O MET 180 H 1 
ATOM 1718 C CB MET 185 . . B 2 19.306 -6.096 31.179 1 18.04 ? CB MET 180 H 1 
ATOM 1719 C CG MET 185 . . B 2 20.231 -6.681 30.184 1 14.79 ? CG MET 180 H 1 
ATOM 1720 S SD MET 185 . . B 2 20.826 -8.358 30.704 1 17.01 ? SD MET 180 H 1 
ATOM 1721 C CE MET 185 . . B 2 22.236 -8.593 29.706 1 10.03 ? CE MET 180 H 1 
ATOM 1722 N N PHE 186 . . B 2 16.921 -4.396 31.687 1 16.11 ? N PHE 181 H 1 
ATOM 1723 C CA PHE 186 . . B 2 15.736 -4.332 32.578 1 15.37 ? CA PHE 181 H 1 
ATOM 1724 C C PHE 186 . . B 2 14.771 -5.356 31.91 1 15.25 ? C PHE 181 H 1 
ATOM 1725 O O PHE 186 . . B 2 15.132 -5.731 30.782 1 16.45 ? O PHE 181 H 1 
ATOM 1726 C CB PHE 186 . . B 2 15.272 -2.913 32.839 1 15.07 ? CB PHE 181 H 1 
ATOM 1727 C CG PHE 186 . . B 2 14.548 -2.275 31.661 1 15.53 ? CG PHE 181 H 1 
ATOM 1728 C CD1 PHE 186 . . B 2 13.162 -2.415 31.534 1 15.6 ? CD1 PHE 181 H 1 
ATOM 1729 C CD2 PHE 186 . . B 2 15.275 -1.547 30.717 1 15.94 ? CD2 PHE 181 H 1 
ATOM 1730 C CE1 PHE 186 . . B 2 12.499 -1.828 30.453 1 15.24 ? CE1 PHE 181 H 1 
ATOM 1731 C CE2 PHE 186 . . B 2 14.613 -0.957 29.636 1 13.83 ? CE2 PHE 181 H 1 
ATOM 1732 C CZ PHE 186 . . B 2 13.225 -1.098 29.503 1 15.3 ? CZ PHE 181 H 1 
ATOM 1733 N N CYS 187 . . B 2 13.808 -5.891 32.599 1 13.89 ? N CYS 182 H 1 
ATOM 1734 C CA CYS 187 . . B 2 12.852 -6.877 32.175 1 15.29 ? CA CYS 182 H 1 
ATOM 1735 C C CYS 187 . . B 2 11.5 -6.21 32.478 1 14.68 ? C CYS 182 H 1 
ATOM 1736 O O CYS 187 . . B 2 11.367 -5.36 33.379 1 12.62 ? O CYS 182 H 1 
ATOM 1737 C CB CYS 187 . . B 2 13.042 -8.259 32.859 1 19.36 ? CB CYS 182 H 1 
ATOM 1738 S SG CYS 187 . . B 2 12.141 -8.577 34.389 1 22.42 ? SG CYS 182 H 1 
ATOM 1739 N N ALA 188 . . B 2 10.603 -6.638 31.656 1 16.32 ? N ALA 183 H 1 
ATOM 1740 C CA ALA 188 . . B 2 9.201 -6.192 31.655 1 18.16 ? CA ALA 183 H 1 
ATOM 1741 C C ALA 188 . . B 2 8.291 -7.335 31.161 1 18.8 ? C ALA 183 H 1 
ATOM 1742 O O ALA 188 . . B 2 8.675 -8.062 30.216 1 19.73 ? O ALA 183 H 1 
ATOM 1743 C CB ALA 188 . . B 2 9.141 -5.053 30.608 1 24.37 ? CB ALA 183 H 1 
ATOM 1744 N N GLY 189 . . B 2 7.098 -7.327 31.726 1 18.36 ? N GLY 184 H 1 
ATOM 1745 C CA GLY 189 . . B 2 5.959 -8.179 31.556 1 19.5 ? CA GLY 184 H 1 
ATOM 1746 C C GLY 189 . . B 2 5.069 -8.272 32.77 1 19.2 ? C GLY 184 H 1 
ATOM 1747 O O GLY 189 . . B 2 5.36 -7.833 33.884 1 18.23 ? O GLY 184 H 1 
ATOM 1748 N N TYR 190 . A B 2 3.92 -8.908 32.562 1 22.5 ? N TYR 184 H 1 
ATOM 1749 C CA TYR 190 . A B 2 2.973 -9.145 33.695 1 25.25 ? CA TYR 184 H 1 
ATOM 1750 C C TYR 190 . A B 2 3.318 -10.42 34.47 1 26.86 ? C TYR 184 H 1 
ATOM 1751 O O TYR 190 . A B 2 4.015 -11.299 33.956 1 26.39 ? O TYR 184 H 1 
ATOM 1752 C CB TYR 190 . A B 2 1.56 -9.257 33.103 1 26.24 ? CB TYR 184 H 1 
ATOM 1753 C CG TYR 190 . A B 2 1.034 -7.962 32.481 1 27.03 ? CG TYR 184 H 1 
ATOM 1754 C CD1 TYR 190 . A B 2 0.472 -6.973 33.295 1 29.44 ? CD1 TYR 184 H 1 
ATOM 1755 C CD2 TYR 190 . A B 2 1.107 -7.769 31.097 1 29.04 ? CD2 TYR 184 H 1 
ATOM 1756 C CE1 TYR 190 . A B 2 -0.029 -5.797 32.724 1 29.73 ? CE1 TYR 184 H 1 
ATOM 1757 C CE2 TYR 190 . A B 2 0.607 -6.591 30.526 1 29.45 ? CE2 TYR 184 H 1 
ATOM 1758 C CZ TYR 190 . A B 2 0.036 -5.607 31.341 1 28.18 ? CZ TYR 184 H 1 
ATOM 1759 O OH TYR 190 . A B 2 -0.462 -4.468 30.787 1 29.15 ? OH TYR 184 H 1 
ATOM 1760 N N LYS 191 . . B 2 2.996 -10.568 35.727 1 30.54 ? N LYS 185 H 1 
ATOM 1761 C CA LYS 191 . . B 2 3.155 -11.747 36.598 1 33.87 ? CA LYS 185 H 1 
ATOM 1762 C C LYS 191 . . B 2 1.902 -12.591 36.414 1 37.4 ? C LYS 185 H 1 
ATOM 1763 O O LYS 191 . . B 2 0.8 -12.073 36.154 1 38.49 ? O LYS 185 H 1 
ATOM 1764 C CB LYS 191 . . B 2 3.296 -11.376 38.054 1 31.91 ? CB LYS 185 H 1 
ATOM 1765 C CG LYS 191 . . B 2 4.134 -10.14 38.142 1 33.65 ? CG LYS 185 H 1 
ATOM 1766 C CD LYS 191 . . B 2 5.543 -10.22 38.611 1 36.7 ? CD LYS 185 H 1 
ATOM 1767 C CE LYS 191 . . B 2 5.994 -8.8 39.011 1 40.36 ? CE LYS 185 H 1 
ATOM 1768 N NZ LYS 191 . . B 2 5.292 -8.339 40.252 1 40.46 ? NZ LYS 185 H 1 
ATOM 1769 N N PRO 192 . . B 2 2.078 -13.911 36.461 1 41.05 ? N PRO 186 H 1 
ATOM 1770 C CA PRO 192 . . B 2 0.992 -14.849 36.082 1 41.39 ? CA PRO 186 H 1 
ATOM 1771 C C PRO 192 . . B 2 -0.107 -14.614 37.086 1 41.63 ? C PRO 186 H 1 
ATOM 1772 O O PRO 192 . . B 2 -1.251 -14.895 36.732 1 42.54 ? O PRO 186 H 1 
ATOM 1773 C CB PRO 192 . . B 2 1.592 -16.232 36.039 1 42.03 ? CB PRO 186 H 1 
ATOM 1774 C CG PRO 192 . . B 2 3.049 -16.077 36.488 1 42.39 ? CG PRO 186 H 1 
ATOM 1775 C CD PRO 192 . . B 2 3.318 -14.625 36.833 1 42.26 ? CD PRO 186 H 1 
ATOM 1776 N N ASP 193 . A B 2 0.358 -14.037 38.194 1 42.66 ? N ASP 186 H 1 
ATOM 1777 C CA ASP 193 . A B 2 -0.733 -13.835 39.18 1 45.62 ? CA ASP 186 H 1 
ATOM 1778 C C ASP 193 . A B 2 -1.599 -12.773 38.51 1 45.94 ? C ASP 186 H 1 
ATOM 1779 O O ASP 193 . A B 2 -2.78 -13.089 38.423 1 47.23 ? O ASP 186 H 1 
ATOM 1780 C CB ASP 193 . A B 2 -0.337 -13.629 40.613 1 50 ? CB ASP 186 H 1 
ATOM 1781 C CG ASP 193 . A B 2 0.974 -12.954 40.923 1 50 ? CG ASP 186 H 1 
ATOM 1782 O OD1 ASP 193 . A B 2 2.067 -13.316 40.391 1 50 ? OD1 ASP 186 H 1 
ATOM 1783 O OD2 ASP 193 . A B 2 0.927 -12.079 41.84 1 50 ? OD2 ASP 186 H 1 
ATOM 1784 N N GLU 194 . B B 2 -0.991 -11.767 37.912 1 46.23 ? N GLU 186 H 1 
ATOM 1785 C CA GLU 194 . B B 2 -1.746 -10.645 37.322 1 45.21 ? CA GLU 186 H 1 
ATOM 1786 C C GLU 194 . B B 2 -2.692 -10.987 36.177 1 44.42 ? C GLU 186 H 1 
ATOM 1787 O O GLU 194 . B B 2 -3.689 -10.225 35.933 1 44.71 ? O GLU 186 H 1 
ATOM 1788 C CB GLU 194 . B B 2 -0.808 -9.498 36.936 1 45.58 ? CB GLU 186 H 1 
ATOM 1789 C CG GLU 194 . B B 2 0.129 -8.937 38.01 1 45.7 ? CG GLU 186 H 1 
ATOM 1790 C CD GLU 194 . B B 2 1.258 -8.116 37.485 1 46.8 ? CD GLU 186 H 1 
ATOM 1791 O OE1 GLU 194 . B B 2 1.303 -8.37 36.255 1 49.13 ? OE1 GLU 186 H 1 
ATOM 1792 O OE2 GLU 194 . B B 2 2.054 -7.362 38.029 1 47.34 ? OE2 GLU 186 H 1 
ATOM 1793 N N GLY 195 . C B 2 -2.491 -11.886 35.289 1 42.33 ? N GLY 186 H 1 
ATOM 1794 C CA GLY 195 . C B 2 -3.694 -12.318 34.555 1 40.48 ? CA GLY 186 H 1 
ATOM 1795 C C GLY 195 . C B 2 -3.952 -11.384 33.362 1 39.47 ? C GLY 186 H 1 
ATOM 1796 O O GLY 195 . C B 2 -5.105 -11.159 32.98 1 40.85 ? O GLY 186 H 1 
ATOM 1797 N N LYS 196 . D B 2 -2.841 -10.897 32.854 1 37.13 ? N LYS 186 H 1 
ATOM 1798 C CA LYS 196 . D B 2 -2.735 -9.984 31.691 1 32.32 ? CA LYS 186 H 1 
ATOM 1799 C C LYS 196 . D B 2 -1.447 -10.4 30.962 1 30.88 ? C LYS 186 H 1 
ATOM 1800 O O LYS 196 . D B 2 -0.449 -10.754 31.576 1 29.94 ? O LYS 186 H 1 
ATOM 1801 C CB LYS 196 . D B 2 -2.624 -8.523 32.203 1 33.2 ? CB LYS 186 H 1 
ATOM 1802 C CG LYS 196 . D B 2 -3.853 -7.652 31.905 1 33.09 ? CG LYS 186 H 1 
ATOM 1803 C CD LYS 196 . D B 2 -3.626 -6.686 30.735 1 35.78 ? CD LYS 186 H 1 
ATOM 1804 C CE LYS 196 . D B 2 -4.557 -5.468 30.756 1 39.84 ? CE LYS 186 H 1 
ATOM 1805 N NZ LYS 196 . D B 2 -5.288 -5.317 32.021 1 43.09 ? NZ LYS 186 H 1 
ATOM 1806 N N ARG 197 . . B 2 -1.388 -10.394 29.644 1 27.13 ? N ARG 187 H 1 
ATOM 1807 C CA ARG 197 . . B 2 -0.101 -10.802 29.001 1 25.9 ? CA ARG 187 H 1 
ATOM 1808 C C ARG 197 . . B 2 0.325 -9.886 27.864 1 24.07 ? C ARG 187 H 1 
ATOM 1809 O O ARG 197 . . B 2 -0.272 -8.847 27.614 1 24.32 ? O ARG 187 H 1 
ATOM 1810 C CB ARG 197 . . B 2 -0.135 -12.204 28.395 1 28.23 ? CB ARG 187 H 1 
ATOM 1811 C CG ARG 197 . . B 2 -1.483 -12.888 28.398 1 26.79 ? CG ARG 187 H 1 
ATOM 1812 C CD ARG 197 . . B 2 -1.343 -14.371 28.059 1 28.12 ? CD ARG 187 H 1 
ATOM 1813 N NE ARG 197 . . B 2 -1.029 -15.164 29.243 1 31.57 ? NE ARG 187 H 1 
ATOM 1814 C CZ ARG 197 . . B 2 0.054 -15.938 29.404 1 30.26 ? CZ ARG 187 H 1 
ATOM 1815 N NH1 ARG 197 . . B 2 0.986 -16.069 28.441 1 29.7 ? NH1 ARG 187 H 1 
ATOM 1816 N NH2 ARG 197 . . B 2 0.296 -16.625 30.52 1 22.16 ? NH2 ARG 187 H 1 
ATOM 1817 N N GLY 198 . . B 2 1.282 -10.574 27.101 1 20.36 ? N GLY 188 H 1 
ATOM 1818 C CA GLY 198 . . B 2 1.804 -9.739 25.988 1 18.16 ? CA GLY 188 H 1 
ATOM 1819 C C GLY 198 . . B 2 3.338 -9.81 26.271 1 16.44 ? C GLY 188 H 1 
ATOM 1820 O O GLY 198 . . B 2 3.71 -9.79 27.452 1 16.83 ? O GLY 188 H 1 
ATOM 1821 N N ASP 199 . . B 2 4.109 -9.678 25.257 1 13.8 ? N ASP 189 H 1 
ATOM 1822 C CA ASP 199 . . B 2 5.541 -9.754 25.236 1 16.44 ? CA ASP 189 H 1 
ATOM 1823 C C ASP 199 . . B 2 5.875 -9.47 23.779 1 16.74 ? C ASP 189 H 1 
ATOM 1824 O O ASP 199 . . B 2 4.964 -9.409 22.928 1 16.36 ? O ASP 189 H 1 
ATOM 1825 C CB ASP 199 . . B 2 5.881 -11.219 25.725 1 17.38 ? CB ASP 189 H 1 
ATOM 1826 C CG ASP 199 . . B 2 7.331 -11.427 26.009 1 26.38 ? CG ASP 189 H 1 
ATOM 1827 O OD1 ASP 199 . . B 2 8.148 -10.437 26.05 1 25.37 ? OD1 ASP 189 H 1 
ATOM 1828 O OD2 ASP 199 . . B 2 7.777 -12.588 26.338 1 27.58 ? OD2 ASP 189 H 1 
ATOM 1829 N N ALA 200 . . B 2 7.087 -9.081 23.521 1 18.17 ? N ALA 190 H 1 
ATOM 1830 C CA ALA 200 . . B 2 7.728 -8.899 22.241 1 20.7 ? CA ALA 190 H 1 
ATOM 1831 C C ALA 200 . . B 2 7.963 -10.346 21.76 1 22.45 ? C ALA 190 H 1 
ATOM 1832 O O ALA 200 . . B 2 7.666 -11.272 22.536 1 23.58 ? O ALA 190 H 1 
ATOM 1833 C CB ALA 200 . . B 2 9.111 -8.267 22.489 1 22.99 ? CB ALA 190 H 1 
ATOM 1834 N N CYS 201 . . B 2 8.646 -10.628 20.679 1 23.35 ? N CYS 191 H 1 
ATOM 1835 C CA CYS 201 . . B 2 8.885 -12.044 20.307 1 24.53 ? CA CYS 191 H 1 
ATOM 1836 C C CYS 201 . . B 2 9.94 -11.838 19.224 1 25.74 ? C CYS 191 H 1 
ATOM 1837 O O CYS 201 . . B 2 10.275 -10.689 18.867 1 25.72 ? O CYS 191 H 1 
ATOM 1838 C CB CYS 201 . . B 2 7.561 -12.733 19.903 1 27.09 ? CB CYS 191 H 1 
ATOM 1839 S SG CYS 201 . . B 2 7.482 -14.595 19.816 1 28.77 ? SG CYS 191 H 1 
ATOM 1840 N N GLU 202 . . B 2 10.541 -12.901 18.777 1 26.07 ? N GLU 192 H 1 
ATOM 1841 C CA GLU 202 . . B 2 11.435 -12.898 17.646 1 25.54 ? CA GLU 192 H 1 
ATOM 1842 C C GLU 202 . . B 2 10.805 -11.913 16.665 1 24.52 ? C GLU 192 H 1 
ATOM 1843 O O GLU 202 . . B 2 9.59 -12.032 16.476 1 23.64 ? O GLU 192 H 1 
ATOM 1844 C CB GLU 202 . . B 2 11.093 -14.228 16.958 1 29.16 ? CB GLU 192 H 1 
ATOM 1845 C CG GLU 202 . . B 2 12.187 -15.144 16.544 1 37.29 ? CG GLU 192 H 1 
ATOM 1846 C CD GLU 202 . . B 2 12.08 -15.623 15.123 1 41.65 ? CD GLU 192 H 1 
ATOM 1847 O OE1 GLU 202 . . B 2 11.806 -14.631 14.388 1 43.98 ? OE1 GLU 192 H 1 
ATOM 1848 O OE2 GLU 202 . . B 2 12.285 -16.792 14.776 1 45.51 ? OE2 GLU 192 H 1 
ATOM 1849 N N GLY 203 . . B 2 11.619 -11.34 15.823 1 24.56 ? N GLY 193 H 1 
ATOM 1850 C CA GLY 203 . . B 2 11.347 -10.419 14.737 1 22.54 ? CA GLY 193 H 1 
ATOM 1851 C C GLY 203 . . B 2 11.159 -9.009 15.207 1 22.74 ? C GLY 193 H 1 
ATOM 1852 O O GLY 203 . . B 2 11.307 -8.08 14.366 1 24.17 ? O GLY 193 H 1 
ATOM 1853 N N ASP 204 . . B 2 10.755 -8.894 16.454 1 22.39 ? N ASP 194 H 1 
ATOM 1854 C CA ASP 204 . . B 2 10.498 -7.697 17.242 1 21.42 ? CA ASP 194 H 1 
ATOM 1855 C C ASP 204 . . B 2 11.78 -7.03 17.708 1 21.37 ? C ASP 194 H 1 
ATOM 1856 O O ASP 204 . . B 2 11.78 -5.835 18.055 1 21.84 ? O ASP 194 H 1 
ATOM 1857 C CB ASP 204 . . B 2 9.705 -8.055 18.486 1 21.86 ? CB ASP 194 H 1 
ATOM 1858 C CG ASP 204 . . B 2 8.228 -8.095 18.242 1 23.76 ? CG ASP 194 H 1 
ATOM 1859 O OD1 ASP 204 . . B 2 8.005 -7.443 17.217 1 23.63 ? OD1 ASP 194 H 1 
ATOM 1860 O OD2 ASP 204 . . B 2 7.345 -8.498 19.018 1 29.35 ? OD2 ASP 194 H 1 
ATOM 1861 N N SER 205 . . B 2 12.826 -7.777 17.962 1 20.5 ? N SER 195 H 1 
ATOM 1862 C CA SER 205 . . B 2 14.097 -7.194 18.459 1 18.71 ? CA SER 195 H 1 
ATOM 1863 C C SER 205 . . B 2 14.502 -5.871 17.787 1 17.38 ? C SER 195 H 1 
ATOM 1864 O O SER 205 . . B 2 14.344 -5.74 16.603 1 13.53 ? O SER 195 H 1 
ATOM 1865 C CB SER 205 . . B 2 15.115 -8.286 18.174 1 20.15 ? CB SER 195 H 1 
ATOM 1866 O OG SER 205 . . B 2 15.946 -8.583 19.277 1 28.11 ? OG SER 195 H 1 
ATOM 1867 N N GLY 206 . . B 2 15.166 -4.932 18.48 1 16.89 ? N GLY 196 H 1 
ATOM 1868 C CA GLY 206 . . B 2 15.711 -3.667 17.986 1 17.23 ? CA GLY 196 H 1 
ATOM 1869 C C GLY 206 . . B 2 14.661 -2.568 18.097 1 18 ? C GLY 196 H 1 
ATOM 1870 O O GLY 206 . . B 2 14.885 -1.361 18.34 1 18.77 ? O GLY 196 H 1 
ATOM 1871 N N GLY 207 . . B 2 13.431 -2.993 18.45 1 18.02 ? N GLY 197 H 1 
ATOM 1872 C CA GLY 207 . . B 2 12.338 -2.023 18.431 1 17.97 ? CA GLY 197 H 1 
ATOM 1873 C C GLY 207 . . B 2 12.514 -1.193 19.674 1 19.13 ? C GLY 197 H 1 
ATOM 1874 O O GLY 207 . . B 2 13.11 -1.659 20.647 1 20.77 ? O GLY 197 H 1 
ATOM 1875 N N PRO 208 . . B 2 11.63 -0.195 19.776 1 19.19 ? N PRO 198 H 1 
ATOM 1876 C CA PRO 208 . . B 2 11.627 0.654 20.975 1 17.8 ? CA PRO 198 H 1 
ATOM 1877 C C PRO 208 . . B 2 10.651 0.187 22.042 1 16.14 ? C PRO 198 H 1 
ATOM 1878 O O PRO 208 . . B 2 9.549 -0.325 21.683 1 17.37 ? O PRO 198 H 1 
ATOM 1879 C CB PRO 208 . . B 2 10.979 2.005 20.497 1 18.22 ? CB PRO 198 H 1 
ATOM 1880 C CG PRO 208 . . B 2 10.619 1.812 19.02 1 19.65 ? CG PRO 198 H 1 
ATOM 1881 C CD PRO 208 . . B 2 11.033 0.423 18.574 1 18.9 ? CD PRO 198 H 1 
ATOM 1882 N N PHE 209 . . B 2 11.079 0.392 23.276 1 14.42 ? N PHE 199 H 1 
ATOM 1883 C CA PHE 209 . . B 2 10.249 0.266 24.506 1 12.98 ? CA PHE 199 H 1 
ATOM 1884 C C PHE 209 . . B 2 10.166 1.784 24.953 1 13.76 ? C PHE 199 H 1 
ATOM 1885 O O PHE 209 . . B 2 11.155 2.48 25.177 1 11.12 ? O PHE 199 H 1 
ATOM 1886 C CB PHE 209 . . B 2 10.953 -0.634 25.501 1 11.9 ? CB PHE 199 H 1 
ATOM 1887 C CG PHE 209 . . B 2 10.219 -0.643 26.815 1 10.39 ? CG PHE 199 H 1 
ATOM 1888 C CD1 PHE 209 . . B 2 10.346 0.45 27.668 1 10.53 ? CD1 PHE 199 H 1 
ATOM 1889 C CD2 PHE 209 . . B 2 9.41 -1.728 27.142 1 11.57 ? CD2 PHE 199 H 1 
ATOM 1890 C CE1 PHE 209 . . B 2 9.639 0.463 28.872 1 10 ? CE1 PHE 199 H 1 
ATOM 1891 C CE2 PHE 209 . . B 2 8.707 -1.721 28.345 1 10 ? CE2 PHE 199 H 1 
ATOM 1892 C CZ PHE 209 . . B 2 8.819 -0.623 29.21 1 11.61 ? CZ PHE 199 H 1 
ATOM 1893 N N VAL 210 . . B 2 9.047 2.429 25.127 1 15.21 ? N VAL 200 H 1 
ATOM 1894 C CA VAL 210 . . B 2 8.887 3.858 25.349 1 16.32 ? CA VAL 200 H 1 
ATOM 1895 C C VAL 210 . . B 2 7.789 4.114 26.365 1 16.85 ? C VAL 200 H 1 
ATOM 1896 O O VAL 210 . . B 2 6.891 3.394 26.74 1 15.07 ? O VAL 200 H 1 
ATOM 1897 C CB VAL 210 . . B 2 8.619 4.628 24.032 1 17.58 ? CB VAL 200 H 1 
ATOM 1898 C CG1 VAL 210 . . B 2 9.405 4.331 22.741 1 16.57 ? CG1 VAL 200 H 1 
ATOM 1899 C CG2 VAL 210 . . B 2 7.17 4.36 23.598 1 20.59 ? CG2 VAL 200 H 1 
ATOM 1900 N N MET 211 . . B 2 8.027 5.283 26.979 1 17.38 ? N MET 201 H 1 
ATOM 1901 C CA MET 211 . . B 2 7.124 5.826 28.008 1 16.94 ? CA MET 201 H 1 
ATOM 1902 C C MET 211 . . B 2 6.832 7.282 27.585 1 16.42 ? C MET 201 H 1 
ATOM 1903 O O MET 211 . . B 2 7.79 7.952 27.093 1 14.89 ? O MET 201 H 1 
ATOM 1904 C CB MET 211 . . B 2 7.917 5.783 29.361 1 16.05 ? CB MET 201 H 1 
ATOM 1905 C CG MET 211 . . B 2 7.673 4.364 29.82 1 20.72 ? CG MET 201 H 1 
ATOM 1906 S SD MET 211 . . B 2 8.736 3.965 31.242 1 19.94 ? SD MET 201 H 1 
ATOM 1907 C CE MET 211 . . B 2 10.244 3.874 30.262 1 17.73 ? CE MET 201 H 1 
ATOM 1908 N N LYS 212 . . B 2 5.675 7.693 28.057 1 17.51 ? N LYS 202 H 1 
ATOM 1909 C CA LYS 212 . . B 2 5.21 9.091 27.831 1 18.74 ? CA LYS 202 H 1 
ATOM 1910 C C LYS 212 . . B 2 5.455 9.914 29.098 1 17.6 ? C LYS 202 H 1 
ATOM 1911 O O LYS 212 . . B 2 4.864 9.491 30.126 1 17.58 ? O LYS 202 H 1 
ATOM 1912 C CB LYS 212 . . B 2 3.689 9.163 27.586 1 18.78 ? CB LYS 202 H 1 
ATOM 1913 C CG LYS 212 . . B 2 3.181 10.58 27.184 1 19.03 ? CG LYS 202 H 1 
ATOM 1914 C CD LYS 212 . . B 2 2.12 10.576 26.129 1 21.59 ? CD LYS 202 H 1 
ATOM 1915 C CE LYS 212 . . B 2 1.625 11.906 25.623 1 24.48 ? CE LYS 202 H 1 
ATOM 1916 N NZ LYS 212 . . B 2 0.29 12.257 26.149 1 24.23 ? NZ LYS 202 H 1 
ATOM 1917 N N SER 213 . . B 2 6.233 10.956 29.037 1 17.4 ? N SER 203 H 1 
ATOM 1918 C CA SER 213 . . B 2 6.352 11.768 30.269 1 14.55 ? CA SER 203 H 1 
ATOM 1919 C C SER 213 . . B 2 5.08 12.47 30.633 1 14.91 ? C SER 203 H 1 
ATOM 1920 O O SER 213 . . B 2 4.444 13.252 29.854 1 13.98 ? O SER 203 H 1 
ATOM 1921 C CB SER 213 . . B 2 7.366 12.929 30.151 1 17.74 ? CB SER 203 H 1 
ATOM 1922 O OG SER 213 . . B 2 7.492 13.591 31.437 1 15.67 ? OG SER 203 H 1 
ATOM 1923 N N PRO 214 . . B 2 4.777 12.301 31.899 1 16.37 ? N PRO 204 H 1 
ATOM 1924 C CA PRO 214 . . B 2 3.593 13.008 32.439 1 17.88 ? CA PRO 204 H 1 
ATOM 1925 C C PRO 214 . . B 2 3.93 14.481 32.742 1 18.61 ? C PRO 204 H 1 
ATOM 1926 O O PRO 214 . . B 2 3 15.267 33.091 1 20.08 ? O PRO 204 H 1 
ATOM 1927 C CB PRO 214 . . B 2 3.249 12.334 33.761 1 17.59 ? CB PRO 204 H 1 
ATOM 1928 C CG PRO 214 . . B 2 4.331 11.273 33.993 1 18.19 ? CG PRO 204 H 1 
ATOM 1929 C CD PRO 214 . . B 2 5.339 11.328 32.86 1 16.73 ? CD PRO 204 H 1 
ATOM 1930 N N PHE 215 . A B 2 5.221 14.852 32.619 1 18.13 ? N PHE 204 H 1 
ATOM 1931 C CA PHE 215 . A B 2 5.726 16.236 32.95 1 20.55 ? CA PHE 204 H 1 
ATOM 1932 C C PHE 215 . A B 2 5.591 17.183 31.745 1 22.08 ? C PHE 204 H 1 
ATOM 1933 O O PHE 215 . A B 2 4.899 18.22 31.81 1 23.48 ? O PHE 204 H 1 
ATOM 1934 C CB PHE 215 . A B 2 7.165 16.138 33.443 1 22.72 ? CB PHE 204 H 1 
ATOM 1935 C CG PHE 215 . A B 2 7.284 15.164 34.619 1 25.62 ? CG PHE 204 H 1 
ATOM 1936 C CD1 PHE 215 . A B 2 6.52 15.368 35.777 1 23.29 ? CD1 PHE 204 H 1 
ATOM 1937 C CD2 PHE 215 . A B 2 8.142 14.063 34.536 1 25.29 ? CD2 PHE 204 H 1 
ATOM 1938 C CE1 PHE 215 . A B 2 6.614 14.471 36.847 1 23 ? CE1 PHE 204 H 1 
ATOM 1939 C CE2 PHE 215 . A B 2 8.234 13.163 35.604 1 24.33 ? CE2 PHE 204 H 1 
ATOM 1940 C CZ PHE 215 . A B 2 7.469 13.367 36.759 1 24.35 ? CZ PHE 204 H 1 
ATOM 1941 N N ASN 216 . B B 2 6.097 16.652 30.614 1 23.03 ? N ASN 204 H 1 
ATOM 1942 C CA ASN 216 . B B 2 6.076 17.36 29.351 1 21.32 ? CA ASN 204 H 1 
ATOM 1943 C C ASN 216 . B B 2 5.338 16.665 28.204 1 22.13 ? C ASN 204 H 1 
ATOM 1944 O O ASN 216 . B B 2 5.375 17.223 27.06 1 22.1 ? O ASN 204 H 1 
ATOM 1945 C CB ASN 216 . B B 2 7.491 17.797 28.97 1 21.08 ? CB ASN 204 H 1 
ATOM 1946 C CG ASN 216 . B B 2 8.277 16.566 28.609 1 20.75 ? CG ASN 204 H 1 
ATOM 1947 O OD1 ASN 216 . B B 2 9.499 16.644 28.401 1 22.61 ? OD1 ASN 204 H 1 
ATOM 1948 N ND2 ASN 216 . B B 2 7.463 15.53 28.784 1 23.38 ? ND2 ASN 204 H 1 
ATOM 1949 N N ASN 217 . . B 2 4.537 15.652 28.535 1 21.22 ? N ASN 205 H 1 
ATOM 1950 C CA ASN 217 . . B 2 3.682 14.926 27.572 1 20.32 ? CA ASN 205 H 1 
ATOM 1951 C C ASN 217 . . B 2 4.355 14.269 26.374 1 16.83 ? C ASN 205 H 1 
ATOM 1952 O O ASN 217 . . B 2 3.744 13.973 25.318 1 18.39 ? O ASN 205 H 1 
ATOM 1953 C CB ASN 217 . . B 2 2.664 16.007 27.098 1 27.79 ? CB ASN 205 H 1 
ATOM 1954 C CG ASN 217 . . B 2 1.282 15.765 27.715 1 33.55 ? CG ASN 205 H 1 
ATOM 1955 O OD1 ASN 217 . . B 2 0.872 16.232 28.804 1 34.46 ? OD1 ASN 205 H 1 
ATOM 1956 N ND2 ASN 217 . . B 2 0.442 15.178 26.806 1 34.84 ? ND2 ASN 205 H 1 
ATOM 1957 N N ARG 218 . . B 2 5.65 14.264 26.402 1 14.79 ? N ARG 206 H 1 
ATOM 1958 C CA ARG 218 . . B 2 6.551 13.718 25.438 1 14.45 ? CA ARG 206 H 1 
ATOM 1959 C C ARG 218 . . B 2 6.826 12.204 25.568 1 15.3 ? C ARG 206 H 1 
ATOM 1960 O O ARG 218 . . B 2 6.987 11.777 26.725 1 16.7 ? O ARG 206 H 1 
ATOM 1961 C CB ARG 218 . . B 2 7.868 14.473 25.554 1 15.03 ? CB ARG 206 H 1 
ATOM 1962 C CG ARG 218 . . B 2 8.027 15.693 24.629 1 18.07 ? CG ARG 206 H 1 
ATOM 1963 C CD ARG 218 . . B 2 9.291 16.394 24.894 1 20.49 ? CD ARG 206 H 1 
ATOM 1964 N NE ARG 218 . . B 2 9.192 17.774 24.485 1 24.26 ? NE ARG 206 H 1 
ATOM 1965 C CZ ARG 218 . . B 2 9.671 18.337 23.399 1 26.28 ? CZ ARG 206 H 1 
ATOM 1966 N NH1 ARG 218 . . B 2 10.472 17.829 22.461 1 23.25 ? NH1 ARG 206 H 1 
ATOM 1967 N NH2 ARG 218 . . B 2 9.411 19.663 23.337 1 30.49 ? NH2 ARG 206 H 1 
ATOM 1968 N N TRP 219 . . B 2 7.175 11.537 24.478 1 15.74 ? N TRP 207 H 1 
ATOM 1969 C CA TRP 219 . . B 2 7.517 10.123 24.422 1 15.55 ? CA TRP 207 H 1 
ATOM 1970 C C TRP 219 . . B 2 9.012 9.871 24.502 1 13.45 ? C TRP 207 H 1 
ATOM 1971 O O TRP 219 . . B 2 9.707 10.498 23.73 1 13.28 ? O TRP 207 H 1 
ATOM 1972 C CB TRP 219 . . B 2 7 9.421 23.132 1 15.83 ? CB TRP 207 H 1 
ATOM 1973 C CG TRP 219 . . B 2 5.468 9.311 23.18 1 18.81 ? CG TRP 207 H 1 
ATOM 1974 C CD1 TRP 219 . . B 2 4.588 10.189 22.686 1 17.97 ? CD1 TRP 207 H 1 
ATOM 1975 C CD2 TRP 219 . . B 2 4.726 8.249 23.784 1 17.79 ? CD2 TRP 207 H 1 
ATOM 1976 N NE1 TRP 219 . . B 2 3.28 9.706 23.003 1 19.15 ? NE1 TRP 207 H 1 
ATOM 1977 C CE2 TRP 219 . . B 2 3.381 8.573 23.652 1 17.79 ? CE2 TRP 207 H 1 
ATOM 1978 C CE3 TRP 219 . . B 2 5.074 7.057 24.435 1 15.42 ? CE3 TRP 207 H 1 
ATOM 1979 C CZ2 TRP 219 . . B 2 2.342 7.778 24.155 1 17.78 ? CZ2 TRP 207 H 1 
ATOM 1980 C CZ3 TRP 219 . . B 2 4.02 6.256 24.931 1 16.13 ? CZ3 TRP 207 H 1 
ATOM 1981 C CH2 TRP 219 . . B 2 2.718 6.603 24.799 1 17.37 ? CH2 TRP 207 H 1 
ATOM 1982 N N TYR 220 . . B 2 9.494 9.066 25.436 1 12.91 ? N TYR 208 H 1 
ATOM 1983 C CA TYR 220 . . B 2 10.915 8.777 25.578 1 13.06 ? CA TYR 208 H 1 
ATOM 1984 C C TYR 220 . . B 2 11.238 7.311 25.277 1 14.18 ? C TYR 208 H 1 
ATOM 1985 O O TYR 220 . . B 2 10.422 6.465 25.612 1 15.46 ? O TYR 208 H 1 
ATOM 1986 C CB TYR 220 . . B 2 11.263 9.138 27.031 1 16.41 ? CB TYR 208 H 1 
ATOM 1987 C CG TYR 220 . . B 2 11.351 10.639 27.314 1 17.15 ? CG TYR 208 H 1 
ATOM 1988 C CD1 TYR 220 . . B 2 12.474 11.366 26.904 1 16.27 ? CD1 TYR 208 H 1 
ATOM 1989 C CD2 TYR 220 . . B 2 10.313 11.282 27.998 1 17.14 ? CD2 TYR 208 H 1 
ATOM 1990 C CE1 TYR 220 . . B 2 12.56 12.737 27.177 1 20.65 ? CE1 TYR 208 H 1 
ATOM 1991 C CE2 TYR 220 . . B 2 10.398 12.652 28.27 1 22.69 ? CE2 TYR 208 H 1 
ATOM 1992 C CZ TYR 220 . . B 2 11.521 13.38 27.86 1 22.82 ? CZ TYR 208 H 1 
ATOM 1993 O OH TYR 220 . . B 2 11.601 14.71 28.129 1 24.72 ? OH TYR 208 H 1 
ATOM 1994 N N GLN 221 . . B 2 12.302 6.918 24.676 1 14.1 ? N GLN 209 H 1 
ATOM 1995 C CA GLN 221 . . B 2 12.644 5.499 24.545 1 16.45 ? CA GLN 209 H 1 
ATOM 1996 C C GLN 221 . . B 2 13.583 5.133 25.721 1 17.57 ? C GLN 209 H 1 
ATOM 1997 O O GLN 221 . . B 2 14.802 5.476 25.855 1 16.92 ? O GLN 209 H 1 
ATOM 1998 C CB GLN 221 . . B 2 13.405 5.352 23.212 1 15.24 ? CB GLN 209 H 1 
ATOM 1999 C CG GLN 221 . . B 2 13.808 3.862 23.087 1 11.27 ? CG GLN 209 H 1 
ATOM 2000 C CD GLN 221 . . B 2 14.348 3.479 21.777 1 10.66 ? CD GLN 209 H 1 
ATOM 2001 O OE1 GLN 221 . . B 2 14.495 4.406 20.935 1 10.32 ? OE1 GLN 209 H 1 
ATOM 2002 N NE2 GLN 221 . . B 2 14.866 2.248 21.612 1 10 ? NE2 GLN 209 H 1 
ATOM 2003 N N MET 222 . . B 2 13.014 4.345 26.611 1 18.43 ? N MET 210 H 1 
ATOM 2004 C CA MET 222 . . B 2 13.693 3.718 27.773 1 16.91 ? CA MET 210 H 1 
ATOM 2005 C C MET 222 . . B 2 14.461 2.451 27.488 1 17.33 ? C MET 210 H 1 
ATOM 2006 O O MET 222 . . B 2 15.695 2.263 27.773 1 18.93 ? O MET 210 H 1 
ATOM 2007 C CB MET 222 . . B 2 12.566 3.482 28.751 1 15.06 ? CB MET 210 H 1 
ATOM 2008 C CG MET 222 . . B 2 11.865 4.784 28.77 1 20.36 ? CG MET 210 H 1 
ATOM 2009 S SD MET 222 . . B 2 12.737 6.092 29.747 1 27.93 ? SD MET 210 H 1 
ATOM 2010 C CE MET 222 . . B 2 11.156 6.9 30.102 1 28.19 ? CE MET 210 H 1 
ATOM 2011 N N GLY 223 . . B 2 13.889 1.619 26.621 1 18.53 ? N GLY 211 H 1 
ATOM 2012 C CA GLY 223 . . B 2 14.431 0.26 26.303 1 16.51 ? CA GLY 211 H 1 
ATOM 2013 C C GLY 223 . . B 2 14.59 -0.135 24.87 1 16.87 ? C GLY 211 H 1 
ATOM 2014 O O GLY 223 . . B 2 13.966 0.411 23.932 1 17.94 ? O GLY 211 H 1 
ATOM 2015 N N ILE 224 . . B 2 15.517 -1.047 24.579 1 17.31 ? N ILE 212 H 1 
ATOM 2016 C CA ILE 224 . . B 2 15.628 -1.641 23.231 1 17.79 ? CA ILE 212 H 1 
ATOM 2017 C C ILE 224 . . B 2 15.241 -3.147 23.347 1 18.65 ? C ILE 212 H 1 
ATOM 2018 O O ILE 224 . . B 2 15.388 -3.65 24.474 1 19.83 ? O ILE 212 H 1 
ATOM 2019 C CB ILE 224 . . B 2 17.013 -1.473 22.584 1 13.84 ? CB ILE 212 H 1 
ATOM 2020 C CG1 ILE 224 . . B 2 17.473 -0.117 22.05 1 16.19 ? CG1 ILE 212 H 1 
ATOM 2021 C CG2 ILE 224 . . B 2 16.931 -2.497 21.406 1 15.36 ? CG2 ILE 212 H 1 
ATOM 2022 C CD1 ILE 224 . . B 2 19.011 0.133 21.863 1 14.84 ? CD1 ILE 212 H 1 
ATOM 2023 N N VAL 225 . . B 2 14.359 -3.756 22.577 1 19.44 ? N VAL 213 H 1 
ATOM 2024 C CA VAL 225 . . B 2 13.886 -5.158 22.642 1 19.3 ? CA VAL 213 H 1 
ATOM 2025 C C VAL 225 . . B 2 15.128 -6.093 22.499 1 18.63 ? C VAL 213 H 1 
ATOM 2026 O O VAL 225 . . B 2 15.804 -6.009 21.486 1 17.96 ? O VAL 213 H 1 
ATOM 2027 C CB VAL 225 . . B 2 12.72 -5.443 21.719 1 20.1 ? CB VAL 213 H 1 
ATOM 2028 C CG1 VAL 225 . . B 2 12.053 -6.848 21.91 1 21.52 ? CG1 VAL 213 H 1 
ATOM 2029 C CG2 VAL 225 . . B 2 11.578 -4.449 21.741 1 18.61 ? CG2 VAL 213 H 1 
ATOM 2030 N N SER 226 . . B 2 15.51 -6.792 23.593 1 18.48 ? N SER 214 H 1 
ATOM 2031 C CA SER 226 . . B 2 16.729 -7.578 23.59 1 18.84 ? CA SER 214 H 1 
ATOM 2032 C C SER 226 . . B 2 16.553 -9.102 23.6 1 18.29 ? C SER 214 H 1 
ATOM 2033 O O SER 226 . . B 2 16.797 -9.736 22.525 1 19.11 ? O SER 214 H 1 
ATOM 2034 C CB SER 226 . . B 2 17.752 -7.217 24.688 1 18.27 ? CB SER 214 H 1 
ATOM 2035 O OG SER 226 . . B 2 19.071 -7.479 24.125 1 17.79 ? OG SER 214 H 1 
ATOM 2036 N N TRP 227 . . B 2 16.097 -9.75 24.644 1 17.21 ? N TRP 215 H 1 
ATOM 2037 C CA TRP 227 . . B 2 16.052 -11.229 24.505 1 14.46 ? CA TRP 215 H 1 
ATOM 2038 C C TRP 227 . . B 2 15.035 -11.717 25.46 1 16.18 ? C TRP 215 H 1 
ATOM 2039 O O TRP 227 . . B 2 14.537 -10.872 26.221 1 15.78 ? O TRP 215 H 1 
ATOM 2040 C CB TRP 227 . . B 2 17.427 -11.772 24.834 1 17.73 ? CB TRP 215 H 1 
ATOM 2041 C CG TRP 227 . . B 2 18.111 -11.249 26.095 1 17.91 ? CG TRP 215 H 1 
ATOM 2042 C CD1 TRP 227 . . B 2 18.848 -10.135 26.217 1 16.32 ? CD1 TRP 215 H 1 
ATOM 2043 C CD2 TRP 227 . . B 2 18.088 -11.897 27.354 1 24.06 ? CD2 TRP 215 H 1 
ATOM 2044 N NE1 TRP 227 . . B 2 19.316 -10.087 27.57 1 15.75 ? NE1 TRP 215 H 1 
ATOM 2045 C CE2 TRP 227 . . B 2 18.867 -11.137 28.216 1 21.06 ? CE2 TRP 215 H 1 
ATOM 2046 C CE3 TRP 227 . . B 2 17.483 -13.066 27.825 1 24.08 ? CE3 TRP 215 H 1 
ATOM 2047 C CZ2 TRP 227 . . B 2 19.102 -11.501 29.547 1 22.35 ? CZ2 TRP 215 H 1 
ATOM 2048 C CZ3 TRP 227 . . B 2 17.711 -13.414 29.17 1 24.59 ? CZ3 TRP 215 H 1 
ATOM 2049 C CH2 TRP 227 . . B 2 18.486 -12.669 29.989 1 25.12 ? CH2 TRP 215 H 1 
ATOM 2050 N N GLY 228 . . B 2 14.633 -12.983 25.288 1 16.01 ? N GLY 216 H 1 
ATOM 2051 C CA GLY 228 . . B 2 13.639 -13.478 26.275 1 19.07 ? CA GLY 216 H 1 
ATOM 2052 C C GLY 228 . . B 2 13.641 -15.016 26.107 1 20.74 ? C GLY 216 H 1 
ATOM 2053 O O GLY 228 . . B 2 14.209 -15.42 25.088 1 20.96 ? O GLY 216 H 1 
ATOM 2054 N N GLU 229 . . B 2 13.279 -15.777 27.34 1 22.58 ? N GLU 217 H 1 
ATOM 2055 C CA GLU 229 . . B 2 13.025 -17.231 27.231 1 24.33 ? CA GLU 217 H 1 
ATOM 2056 C C GLU 229 . . B 2 11.665 -17.487 26.604 1 24.77 ? C GLU 217 H 1 
ATOM 2057 O O GLU 229 . . B 2 10.641 -17.464 27.303 1 26.43 ? O GLU 217 H 1 
ATOM 2058 C CB GLU 229 . . B 2 13.003 -17.963 28.613 1 29.82 ? CB GLU 217 H 1 
ATOM 2059 C CG GLU 229 . . B 2 13.747 -17.262 29.769 1 30.18 ? CG GLU 217 H 1 
ATOM 2060 C CD GLU 229 . . B 2 15.247 -17.585 29.821 1 30.75 ? CD GLU 217 H 1 
ATOM 2061 O OE1 GLU 229 . . B 2 15.949 -17.514 28.748 1 33.27 ? OE1 GLU 217 H 1 
ATOM 2062 O OE2 GLU 229 . . B 2 15.809 -17.924 30.941 1 29.91 ? OE2 GLU 217 H 1 
ATOM 2063 N N GLY 230 . . B 2 11.619 -17.793 25.372 1 23.7 ? N GLY 219 H 1 
ATOM 2064 C CA GLY 230 . . B 2 10.321 -17.956 24.71 1 27.14 ? CA GLY 219 H 1 
ATOM 2065 C C GLY 230 . . B 2 9.467 -16.687 24.911 1 28.17 ? C GLY 219 H 1 
ATOM 2066 O O GLY 230 . . B 2 9.591 -16.033 25.979 1 28.53 ? O GLY 219 H 1 
ATOM 2067 N N CYS 231 . . B 2 8.546 -16.44 24 1 28.63 ? N CYS 220 H 1 
ATOM 2068 C CA CYS 231 . . B 2 7.584 -15.307 24.072 1 28.45 ? CA CYS 220 H 1 
ATOM 2069 C C CYS 231 . . B 2 6.337 -15.578 24.907 1 30.29 ? C CYS 220 H 1 
ATOM 2070 O O CYS 231 . . B 2 5.534 -16.539 24.784 1 30.24 ? O CYS 220 H 1 
ATOM 2071 C CB CYS 231 . . B 2 7.131 -14.959 22.694 1 25.18 ? CB CYS 220 H 1 
ATOM 2072 S SG CYS 231 . . B 2 8.491 -15.07 21.492 1 25.71 ? SG CYS 220 H 1 
ATOM 2073 N N ASP 232 . . B 2 6.008 -14.646 25.779 1 29.88 ? N ASP 221 H 1 
ATOM 2074 C CA ASP 232 . . B 2 4.809 -14.704 26.618 1 32.03 ? CA ASP 221 H 1 
ATOM 2075 C C ASP 232 . . B 2 4.671 -16.042 27.372 1 32.79 ? C ASP 221 H 1 
ATOM 2076 O O ASP 232 . . B 2 3.598 -16.568 27.809 1 33.33 ? O ASP 221 H 1 
ATOM 2077 C CB ASP 232 . . B 2 3.618 -14.261 25.73 1 32.47 ? CB ASP 221 H 1 
ATOM 2078 C CG ASP 232 . . B 2 2.376 -13.946 26.561 1 32.53 ? CG ASP 221 H 1 
ATOM 2079 O OD1 ASP 232 . . B 2 2.511 -13.277 27.617 1 32.14 ? OD1 ASP 221 H 1 
ATOM 2080 O OD2 ASP 232 . . B 2 1.257 -14.43 26.281 1 33.39 ? OD2 ASP 221 H 1 
ATOM 2081 N N ARG 233 . A B 2 5.822 -16.547 27.822 1 32.57 ? N ARG 221 H 1 
ATOM 2082 C CA ARG 233 . A B 2 5.726 -17.747 28.689 1 33.5 ? CA ARG 221 H 1 
ATOM 2083 C C ARG 233 . A B 2 5.422 -17.232 30.092 1 34.05 ? C ARG 221 H 1 
ATOM 2084 O O ARG 233 . A B 2 6.016 -16.306 30.714 1 34.66 ? O ARG 221 H 1 
ATOM 2085 C CB ARG 233 . A B 2 6.95 -18.624 28.745 1 33.09 ? CB ARG 221 H 1 
ATOM 2086 C CG ARG 233 . A B 2 7.694 -19.024 27.502 1 34.3 ? CG ARG 221 H 1 
ATOM 2087 C CD ARG 233 . A B 2 7.512 -20.473 27.152 1 36.78 ? CD ARG 221 H 1 
ATOM 2088 N NE ARG 233 . A B 2 8.404 -20.762 26.04 1 39.17 ? NE ARG 221 H 1 
ATOM 2089 C CZ ARG 233 . A B 2 9.611 -21.288 26.248 1 40.21 ? CZ ARG 221 H 1 
ATOM 2090 N NH1 ARG 233 . A B 2 9.786 -21.886 27.436 1 41.02 ? NH1 ARG 221 H 1 
ATOM 2091 N NH2 ARG 233 . A B 2 10.471 -21.431 25.24 1 39.85 ? NH2 ARG 221 H 1 
ATOM 2092 N N ASP 234 . . B 2 4.495 -17.911 30.728 1 34.36 ? N ASP 222 H 1 
ATOM 2093 C CA ASP 234 . . B 2 4.197 -17.642 32.139 1 35.33 ? CA ASP 222 H 1 
ATOM 2094 C C ASP 234 . . B 2 5.475 -17.669 32.998 1 34.75 ? C ASP 222 H 1 
ATOM 2095 O O ASP 234 . . B 2 6.309 -18.575 32.879 1 33.96 ? O ASP 222 H 1 
ATOM 2096 C CB ASP 234 . . B 2 3.267 -18.81 32.518 1 40.43 ? CB ASP 222 H 1 
ATOM 2097 C CG ASP 234 . . B 2 2.017 -18.153 33.091 1 45.49 ? CG ASP 222 H 1 
ATOM 2098 O OD1 ASP 234 . . B 2 2.01 -16.887 32.994 1 49.44 ? OD1 ASP 222 H 1 
ATOM 2099 O OD2 ASP 234 . . B 2 1.243 -18.922 33.676 1 48.08 ? OD2 ASP 222 H 1 
ATOM 2100 N N GLY 235 . . B 2 5.686 -16.681 33.841 1 34.41 ? N GLY 223 H 1 
ATOM 2101 C CA GLY 235 . . B 2 6.812 -16.603 34.768 1 33.45 ? CA GLY 223 H 1 
ATOM 2102 C C GLY 235 . . B 2 8.135 -16.202 34.148 1 32.57 ? C GLY 223 H 1 
ATOM 2103 O O GLY 235 . . B 2 9.193 -16.205 34.81 1 32.58 ? O GLY 223 H 1 
ATOM 2104 N N LYS 236 . . B 2 8.078 -15.894 32.869 1 31.8 ? N LYS 224 H 1 
ATOM 2105 C CA LYS 236 . . B 2 9.299 -15.366 32.202 1 31.16 ? CA LYS 224 H 1 
ATOM 2106 C C LYS 236 . . B 2 9.007 -13.914 31.798 1 31.91 ? C LYS 224 H 1 
ATOM 2107 O O LYS 236 . . B 2 7.812 -13.516 31.743 1 33.82 ? O LYS 224 H 1 
ATOM 2108 C CB LYS 236 . . B 2 9.701 -16.379 31.158 1 31.4 ? CB LYS 224 H 1 
ATOM 2109 C CG LYS 236 . . B 2 10.295 -17.61 31.924 1 31.9 ? CG LYS 224 H 1 
ATOM 2110 C CD LYS 236 . . B 2 11.272 -18.372 31.051 1 32.72 ? CD LYS 224 H 1 
ATOM 2111 C CE LYS 236 . . B 2 12.38 -19.061 31.883 1 34.5 ? CE LYS 224 H 1 
ATOM 2112 N NZ LYS 236 . . B 2 11.763 -19.529 33.164 1 35.37 ? NZ LYS 224 H 1 
ATOM 2113 N N TYR 237 . . B 2 10.015 -13.053 31.623 1 30.58 ? N TYR 225 H 1 
ATOM 2114 C CA TYR 237 . . B 2 9.913 -11.657 31.231 1 27.31 ? CA TYR 225 H 1 
ATOM 2115 C C TYR 237 . . B 2 10.86 -11.262 30.114 1 25.46 ? C TYR 225 H 1 
ATOM 2116 O O TYR 237 . . B 2 11.875 -11.907 29.843 1 27.39 ? O TYR 225 H 1 
ATOM 2117 C CB TYR 237 . . B 2 10.139 -10.693 32.396 1 26.18 ? CB TYR 225 H 1 
ATOM 2118 C CG TYR 237 . . B 2 9.352 -11.128 33.624 1 25.02 ? CG TYR 225 H 1 
ATOM 2119 C CD1 TYR 237 . . B 2 9.865 -12.123 34.463 1 26.67 ? CD1 TYR 225 H 1 
ATOM 2120 C CD2 TYR 237 . . B 2 8.114 -10.544 33.893 1 21.63 ? CD2 TYR 225 H 1 
ATOM 2121 C CE1 TYR 237 . . B 2 9.136 -12.529 35.585 1 28.01 ? CE1 TYR 225 H 1 
ATOM 2122 C CE2 TYR 237 . . B 2 7.384 -10.948 35.014 1 26.33 ? CE2 TYR 225 H 1 
ATOM 2123 C CZ TYR 237 . . B 2 7.895 -11.939 35.861 1 29.88 ? CZ TYR 225 H 1 
ATOM 2124 O OH TYR 237 . . B 2 7.182 -12.324 36.952 1 31.16 ? OH TYR 225 H 1 
ATOM 2125 N N GLY 238 . . B 2 10.434 -10.27 29.315 1 22.73 ? N GLY 226 H 1 
ATOM 2126 C CA GLY 238 . . B 2 11.289 -9.795 28.219 1 15.43 ? CA GLY 226 H 1 
ATOM 2127 C C GLY 238 . . B 2 12.311 -8.95 28.897 1 12.68 ? C GLY 226 H 1 
ATOM 2128 O O GLY 238 . . B 2 12.117 -8.218 29.845 1 10.29 ? O GLY 226 H 1 
ATOM 2129 N N PHE 239 . . B 2 13.429 -8.989 28.202 1 15.02 ? N PHE 227 H 1 
ATOM 2130 C CA PHE 239 . . B 2 14.623 -8.238 28.535 1 15.95 ? CA PHE 227 H 1 
ATOM 2131 C C PHE 239 . . B 2 14.951 -7.206 27.431 1 16.07 ? C PHE 227 H 1 
ATOM 2132 O O PHE 239 . . B 2 14.791 -7.474 26.233 1 18.47 ? O PHE 227 H 1 
ATOM 2133 C CB PHE 239 . . B 2 15.804 -9.225 28.702 1 14.29 ? CB PHE 227 H 1 
ATOM 2134 C CG PHE 239 . . B 2 15.728 -9.821 30.103 1 16.18 ? CG PHE 227 H 1 
ATOM 2135 C CD1 PHE 239 . . B 2 14.935 -10.95 30.338 1 14.71 ? CD1 PHE 227 H 1 
ATOM 2136 C CD2 PHE 239 . . B 2 16.415 -9.211 31.155 1 14.29 ? CD2 PHE 227 H 1 
ATOM 2137 C CE1 PHE 239 . . B 2 14.836 -11.477 31.63 1 15.81 ? CE1 PHE 227 H 1 
ATOM 2138 C CE2 PHE 239 . . B 2 16.313 -9.736 32.448 1 16.61 ? CE2 PHE 227 H 1 
ATOM 2139 C CZ PHE 239 . . B 2 15.526 -10.869 32.685 1 12.65 ? CZ PHE 227 H 1 
ATOM 2140 N N TYR 240 . . B 2 15.432 -6.038 27.869 1 17.89 ? N TYR 228 H 1 
ATOM 2141 C CA TYR 240 . . B 2 15.719 -4.893 26.966 1 16.11 ? CA TYR 228 H 1 
ATOM 2142 C C TYR 240 . . B 2 17.001 -4.159 27.305 1 14.77 ? C TYR 228 H 1 
ATOM 2143 O O TYR 240 . . B 2 17.21 -4.118 28.531 1 13.7 ? O TYR 228 H 1 
ATOM 2144 C CB TYR 240 . . B 2 14.613 -3.83 27.128 1 15.97 ? CB TYR 228 H 1 
ATOM 2145 C CG TYR 240 . . B 2 13.18 -4.346 26.912 1 15.85 ? CG TYR 228 H 1 
ATOM 2146 C CD1 TYR 240 . . B 2 12.502 -5.047 27.928 1 15.93 ? CD1 TYR 228 H 1 
ATOM 2147 C CD2 TYR 240 . . B 2 12.537 -4.097 25.697 1 12.5 ? CD2 TYR 228 H 1 
ATOM 2148 C CE1 TYR 240 . . B 2 11.196 -5.521 27.705 1 13.36 ? CE1 TYR 228 H 1 
ATOM 2149 C CE2 TYR 240 . . B 2 11.24 -4.574 25.474 1 14.36 ? CE2 TYR 228 H 1 
ATOM 2150 C CZ TYR 240 . . B 2 10.573 -5.291 26.471 1 14.23 ? CZ TYR 228 H 1 
ATOM 2151 O OH TYR 240 . . B 2 9.325 -5.777 26.226 1 20.57 ? OH TYR 228 H 1 
ATOM 2152 N N THR 241 . . B 2 17.789 -3.667 26.339 1 14.75 ? N THR 229 H 1 
ATOM 2153 C CA THR 241 . . B 2 18.935 -2.844 26.698 1 14.48 ? CA THR 229 H 1 
ATOM 2154 C C THR 241 . . B 2 18.465 -1.554 27.398 1 16.81 ? C THR 229 H 1 
ATOM 2155 O O THR 241 . . B 2 17.383 -1.021 27.018 1 15.95 ? O THR 229 H 1 
ATOM 2156 C CB THR 241 . . B 2 19.727 -2.48 25.429 1 15.69 ? CB THR 229 H 1 
ATOM 2157 O OG1 THR 241 . . B 2 19.478 -3.615 24.533 1 14.89 ? OG1 THR 229 H 1 
ATOM 2158 C CG2 THR 241 . . B 2 21.2 -2.17 25.787 1 14.04 ? CG2 THR 229 H 1 
ATOM 2159 N N HIS 242 . . B 2 19.233 -1.099 28.399 1 16.65 ? N HIS 230 H 1 
ATOM 2160 C CA HIS 242 . . B 2 18.936 0.054 29.253 1 16.06 ? CA HIS 230 H 1 
ATOM 2161 C C HIS 242 . . B 2 19.521 1.305 28.626 1 17.65 ? C HIS 230 H 1 
ATOM 2162 O O HIS 242 . . B 2 20.711 1.591 28.775 1 16.53 ? O HIS 230 H 1 
ATOM 2163 C CB HIS 242 . . B 2 19.523 -0.188 30.634 1 22.16 ? CB HIS 230 H 1 
ATOM 2164 C CG HIS 242 . . B 2 18.953 0.726 31.684 1 26.03 ? CG HIS 230 H 1 
ATOM 2165 N ND1 HIS 242 . . B 2 18.969 2.087 31.527 1 27.67 ? ND1 HIS 230 H 1 
ATOM 2166 C CD2 HIS 242 . . B 2 18.546 0.493 32.958 1 24.56 ? CD2 HIS 230 H 1 
ATOM 2167 C CE1 HIS 242 . . B 2 18.497 2.649 32.626 1 26.57 ? CE1 HIS 230 H 1 
ATOM 2168 N NE2 HIS 242 . . B 2 18.273 1.721 33.486 1 25.39 ? NE2 HIS 230 H 1 
ATOM 2169 N N VAL 243 . . B 2 18.65 1.893 27.813 1 17.33 ? N VAL 231 H 1 
ATOM 2170 C CA VAL 243 . . B 2 19.029 3.04 26.945 1 18.8 ? CA VAL 231 H 1 
ATOM 2171 C C VAL 243 . . B 2 19.647 4.126 27.81 1 18.36 ? C VAL 231 H 1 
ATOM 2172 O O VAL 243 . . B 2 20.7 4.59 27.365 1 17.1 ? O VAL 231 H 1 
ATOM 2173 C CB VAL 243 . . B 2 17.837 3.444 26.047 1 19.32 ? CB VAL 231 H 1 
ATOM 2174 C CG1 VAL 243 . . B 2 17.824 4.863 25.491 1 19.04 ? CG1 VAL 231 H 1 
ATOM 2175 C CG2 VAL 243 . . B 2 17.531 2.506 24.891 1 14.15 ? CG2 VAL 231 H 1 
ATOM 2176 N N PHE 244 . . B 2 19.105 4.507 28.935 1 19.95 ? N PHE 232 H 1 
ATOM 2177 C CA PHE 244 . . B 2 19.847 5.575 29.701 1 21.37 ? CA PHE 232 H 1 
ATOM 2178 C C PHE 244 . . B 2 21.263 5.178 30.099 1 23.57 ? C PHE 232 H 1 
ATOM 2179 O O PHE 244 . . B 2 22.251 5.951 30.041 1 24.4 ? O PHE 232 H 1 
ATOM 2180 C CB PHE 244 . . B 2 18.939 6.025 30.846 1 24.02 ? CB PHE 232 H 1 
ATOM 2181 C CG PHE 244 . . B 2 19.643 7.205 31.515 1 29.18 ? CG PHE 232 H 1 
ATOM 2182 C CD1 PHE 244 . . B 2 19.716 8.429 30.842 1 30.3 ? CD1 PHE 232 H 1 
ATOM 2183 C CD2 PHE 244 . . B 2 20.257 7.053 32.762 1 27.72 ? CD2 PHE 232 H 1 
ATOM 2184 C CE1 PHE 244 . . B 2 20.419 9.498 31.403 1 29.83 ? CE1 PHE 232 H 1 
ATOM 2185 C CE2 PHE 244 . . B 2 20.967 8.12 33.322 1 31.76 ? CE2 PHE 232 H 1 
ATOM 2186 C CZ PHE 244 . . B 2 21.052 9.342 32.64 1 28.79 ? CZ PHE 232 H 1 
ATOM 2187 N N ARG 245 . . B 2 21.521 3.99 30.632 1 23.01 ? N ARG 233 H 1 
ATOM 2188 C CA ARG 245 . . B 2 22.817 3.552 31.105 1 23.34 ? CA ARG 233 H 1 
ATOM 2189 C C ARG 245 . . B 2 23.805 3.692 29.957 1 24.9 ? C ARG 233 H 1 
ATOM 2190 O O ARG 245 . . B 2 25.036 3.621 30.15 1 25.34 ? O ARG 233 H 1 
ATOM 2191 C CB ARG 245 . . B 2 22.87 2.105 31.535 1 21.17 ? CB ARG 233 H 1 
ATOM 2192 C CG ARG 245 . . B 2 21.903 1.762 32.647 1 25.4 ? CG ARG 233 H 1 
ATOM 2193 C CD ARG 245 . . B 2 22.548 1.795 33.995 1 27.84 ? CD ARG 233 H 1 
ATOM 2194 N NE ARG 245 . . B 2 23.865 1.194 34.021 1 32.89 ? NE ARG 233 H 1 
ATOM 2195 C CZ ARG 245 . . B 2 24.869 1.062 34.88 1 33.64 ? CZ ARG 233 H 1 
ATOM 2196 N NH1 ARG 245 . . B 2 24.896 1.666 36.075 1 34.63 ? NH1 ARG 233 H 1 
ATOM 2197 N NH2 ARG 245 . . B 2 25.993 0.381 34.568 1 34.33 ? NH2 ARG 233 H 1 
ATOM 2198 N N LEU 246 . . B 2 23.214 3.717 28.757 1 25.62 ? N LEU 234 H 1 
ATOM 2199 C CA LEU 246 . . B 2 24.134 3.759 27.583 1 26.58 ? CA LEU 234 H 1 
ATOM 2200 C C LEU 246 . . B 2 24.177 5.125 26.848 1 25.96 ? C LEU 234 H 1 
ATOM 2201 O O LEU 246 . . B 2 24.969 5.275 25.905 1 23.5 ? O LEU 234 H 1 
ATOM 2202 C CB LEU 246 . . B 2 23.816 2.576 26.654 1 23.12 ? CB LEU 234 H 1 
ATOM 2203 C CG LEU 246 . . B 2 23.92 1.113 27.019 1 25.03 ? CG LEU 234 H 1 
ATOM 2204 C CD1 LEU 246 . . B 2 24.453 0.382 25.755 1 23.35 ? CD1 LEU 234 H 1 
ATOM 2205 C CD2 LEU 246 . . B 2 24.835 0.931 28.195 1 23.32 ? CD2 LEU 234 H 1 
ATOM 2206 N N LYS 247 . . B 2 23.459 6.128 27.359 1 28.4 ? N LYS 235 H 1 
ATOM 2207 C CA LYS 247 . . B 2 23.349 7.434 26.683 1 28.83 ? CA LYS 235 H 1 
ATOM 2208 C C LYS 247 . . B 2 24.728 8.02 26.427 1 31.2 ? C LYS 235 H 1 
ATOM 2209 O O LYS 247 . . B 2 24.97 8.609 25.337 1 30.36 ? O LYS 235 H 1 
ATOM 2210 C CB LYS 247 . . B 2 22.555 8.476 27.45 1 28.67 ? CB LYS 235 H 1 
ATOM 2211 C CG LYS 247 . . B 2 21.785 9.484 26.549 1 29.34 ? CG LYS 235 H 1 
ATOM 2212 C CD LYS 247 . . B 2 21.176 10.569 27.377 1 32.54 ? CD LYS 235 H 1 
ATOM 2213 C CE LYS 247 . . B 2 20.116 11.494 26.804 1 35.19 ? CE LYS 235 H 1 
ATOM 2214 N NZ LYS 247 . . B 2 19.488 12.276 27.95 1 30.81 ? NZ LYS 235 H 1 
ATOM 2215 N N LYS 248 . . B 2 25.596 7.827 27.437 1 32.18 ? N LYS 236 H 1 
ATOM 2216 C CA LYS 248 . . B 2 26.932 8.501 27.249 1 34.29 ? CA LYS 236 H 1 
ATOM 2217 C C LYS 248 . . B 2 27.648 7.937 26.044 1 35.03 ? C LYS 236 H 1 
ATOM 2218 O O LYS 248 . . B 2 28.278 8.608 25.167 1 38.07 ? O LYS 236 H 1 
ATOM 2219 C CB LYS 248 . . B 2 27.731 8.481 28.518 1 39.66 ? CB LYS 236 H 1 
ATOM 2220 C CG LYS 248 . . B 2 27.519 9.53 29.59 1 45.69 ? CG LYS 236 H 1 
ATOM 2221 C CD LYS 248 . . B 2 26.259 9.639 30.424 1 49.39 ? CD LYS 236 H 1 
ATOM 2222 C CE LYS 248 . . B 2 26.209 8.687 31.607 1 50 ? CE LYS 236 H 1 
ATOM 2223 N NZ LYS 248 . . B 2 24.78 8.208 31.759 1 50 ? NZ LYS 236 H 1 
ATOM 2224 N N TRP 249 . . B 2 27.476 6.638 25.838 1 31.93 ? N TRP 237 H 1 
ATOM 2225 C CA TRP 249 . . B 2 28.131 6.006 24.689 1 28.4 ? CA TRP 237 H 1 
ATOM 2226 C C TRP 249 . . B 2 27.443 6.604 23.489 1 27.94 ? C TRP 237 H 1 
ATOM 2227 O O TRP 249 . . B 2 28.166 6.909 22.55 1 28.55 ? O TRP 237 H 1 
ATOM 2228 C CB TRP 249 . . B 2 27.93 4.488 24.701 1 24.8 ? CB TRP 237 H 1 
ATOM 2229 C CG TRP 249 . . B 2 28.36 3.893 23.357 1 19.26 ? CG TRP 237 H 1 
ATOM 2230 C CD1 TRP 249 . . B 2 29.614 3.715 22.93 1 16.06 ? CD1 TRP 237 H 1 
ATOM 2231 C CD2 TRP 249 . . B 2 27.482 3.448 22.328 1 21.37 ? CD2 TRP 237 H 1 
ATOM 2232 N NE1 TRP 249 . . B 2 29.54 3.151 21.621 1 15.84 ? NE1 TRP 237 H 1 
ATOM 2233 C CE2 TRP 249 . . B 2 28.283 3.001 21.284 1 17.61 ? CE2 TRP 237 H 1 
ATOM 2234 C CE3 TRP 249 . . B 2 26.088 3.385 22.189 1 18.98 ? CE3 TRP 237 H 1 
ATOM 2235 C CZ2 TRP 249 . . B 2 27.771 2.484 20.089 1 17.65 ? CZ2 TRP 237 H 1 
ATOM 2236 C CZ3 TRP 249 . . B 2 25.581 2.864 20.978 1 17.02 ? CZ3 TRP 237 H 1 
ATOM 2237 C CH2 TRP 249 . . B 2 26.384 2.434 19.979 1 14.5 ? CH2 TRP 237 H 1 
ATOM 2238 N N ILE 250 . . B 2 26.127 6.593 23.517 1 28.02 ? N ILE 238 H 1 
ATOM 2239 C CA ILE 250 . . B 2 25.351 7.164 22.389 1 28.7 ? CA ILE 238 H 1 
ATOM 2240 C C ILE 250 . . B 2 25.706 8.667 22.186 1 30.77 ? C ILE 238 H 1 
ATOM 2241 O O ILE 250 . . B 2 25.752 9.094 21.015 1 29.45 ? O ILE 238 H 1 
ATOM 2242 C CB ILE 250 . . B 2 23.816 7.073 22.691 1 27.85 ? CB ILE 238 H 1 
ATOM 2243 C CG1 ILE 250 . . B 2 23.362 5.566 22.799 1 21.65 ? CG1 ILE 238 H 1 
ATOM 2244 C CG2 ILE 250 . . B 2 22.927 7.934 21.749 1 21.45 ? CG2 ILE 238 H 1 
ATOM 2245 C CD1 ILE 250 . . B 2 21.861 5.557 23.236 1 20.79 ? CD1 ILE 238 H 1 
ATOM 2246 N N GLN 251 . . B 2 25.977 9.395 23.261 1 32.8 ? N GLN 239 H 1 
ATOM 2247 C CA GLN 251 . . B 2 26.305 10.843 23.17 1 36.35 ? CA GLN 239 H 1 
ATOM 2248 C C GLN 251 . . B 2 27.629 10.991 22.445 1 37.17 ? C GLN 239 H 1 
ATOM 2249 O O GLN 251 . . B 2 27.686 11.608 21.372 1 36.94 ? O GLN 239 H 1 
ATOM 2250 C CB GLN 251 . . B 2 26.245 11.654 24.455 1 39.07 ? CB GLN 239 H 1 
ATOM 2251 C CG GLN 251 . . B 2 25.055 12.602 24.42 1 46.65 ? CG GLN 239 H 1 
ATOM 2252 C CD GLN 251 . . B 2 23.779 12.227 25.151 1 50 ? CD GLN 239 H 1 
ATOM 2253 O OE1 GLN 251 . . B 2 22.741 11.704 24.645 1 50 ? OE1 GLN 239 H 1 
ATOM 2254 N NE2 GLN 251 . . B 2 23.876 12.579 26.469 1 50 ? NE2 GLN 239 H 1 
ATOM 2255 N N LYS 252 . . B 2 28.583 10.189 22.869 1 37.92 ? N LYS 240 H 1 
ATOM 2256 C CA LYS 252 . . B 2 29.905 10.15 22.258 1 38.86 ? CA LYS 240 H 1 
ATOM 2257 C C LYS 252 . . B 2 29.916 9.93 20.773 1 39.93 ? C LYS 240 H 1 
ATOM 2258 O O LYS 252 . . B 2 30.28 10.931 20.096 1 41.82 ? O LYS 240 H 1 
ATOM 2259 C CB LYS 252 . . B 2 30.765 9.126 23.014 1 40.91 ? CB LYS 240 H 1 
ATOM 2260 C CG LYS 252 . . B 2 31.664 8.326 22.065 1 42.35 ? CG LYS 240 H 1 
ATOM 2261 C CD LYS 252 . . B 2 33.103 8.456 22.567 1 45.79 ? CD LYS 240 H 1 
ATOM 2262 C CE LYS 252 . . B 2 33.049 8.447 24.092 1 48.05 ? CE LYS 240 H 1 
ATOM 2263 N NZ LYS 252 . . B 2 33.925 9.542 24.633 1 50 ? NZ LYS 240 H 1 
ATOM 2264 N N VAL 253 . . B 2 29.472 8.836 20.171 1 40.16 ? N VAL 241 H 1 
ATOM 2265 C CA VAL 253 . . B 2 29.577 8.647 18.722 1 40.16 ? CA VAL 241 H 1 
ATOM 2266 C C VAL 253 . . B 2 28.865 9.732 17.913 1 40.76 ? C VAL 241 H 1 
ATOM 2267 O O VAL 253 . . B 2 29.28 10.023 16.752 1 41.31 ? O VAL 241 H 1 
ATOM 2268 C CB VAL 253 . . B 2 29.138 7.277 18.184 1 39.52 ? CB VAL 241 H 1 
ATOM 2269 C CG1 VAL 253 . . B 2 29.195 6.153 19.186 1 39.19 ? CG1 VAL 241 H 1 
ATOM 2270 C CG2 VAL 253 . . B 2 27.782 7.385 17.493 1 39.67 ? CG2 VAL 241 H 1 
ATOM 2271 N N ILE 254 . . B 2 27.775 10.224 18.465 1 41.22 ? N ILE 242 H 1 
ATOM 2272 C CA ILE 254 . . B 2 27.028 11.258 17.697 1 42.14 ? CA ILE 242 H 1 
ATOM 2273 C C ILE 254 . . B 2 27.876 12.536 17.614 1 43.17 ? C ILE 242 H 1 
ATOM 2274 O O ILE 254 . . B 2 27.981 13.123 16.524 1 43.01 ? O ILE 242 H 1 
ATOM 2275 C CB ILE 254 . . B 2 25.588 11.535 18.211 1 40.05 ? CB ILE 242 H 1 
ATOM 2276 C CG1 ILE 254 . . B 2 24.588 10.411 17.92 1 37.8 ? CG1 ILE 242 H 1 
ATOM 2277 C CG2 ILE 254 . . B 2 25.062 12.847 17.552 1 40.72 ? CG2 ILE 242 H 1 
ATOM 2278 C CD1 ILE 254 . . B 2 23.342 10.453 18.858 1 38.95 ? CD1 ILE 242 H 1 
ATOM 2279 N N ASP 255 . . B 2 28.451 12.909 18.733 1 44.62 ? N ASP 243 H 1 
ATOM 2280 C CA ASP 255 . . B 2 29.319 14.115 18.859 1 46.12 ? CA ASP 243 H 1 
ATOM 2281 C C ASP 255 . . B 2 30.527 13.895 17.95 1 46.64 ? C ASP 243 H 1 
ATOM 2282 O O ASP 255 . . B 2 31.041 14.63 17.114 1 45.81 ? O ASP 243 H 1 
ATOM 2283 C CB ASP 255 . . B 2 29.644 14.348 20.316 1 47.41 ? CB ASP 243 H 1 
ATOM 2284 C CG ASP 255 . . B 2 31.032 14.56 20.855 1 50 ? CG ASP 243 H 1 
ATOM 2285 O OD1 ASP 255 . . B 2 31.916 15.371 20.482 1 50 ? OD1 ASP 243 H 1 
ATOM 2286 O OD2 ASP 255 . . B 2 31.244 13.984 21.971 1 50 ? OD2 ASP 243 H 1 
ATOM 2287 N N GLN 256 . . B 2 30.914 12.66 18.177 1 48.33 ? N GLN 244 H 1 
ATOM 2288 C CA GLN 256 . . B 2 32.102 12.024 17.6 1 49.25 ? CA GLN 244 H 1 
ATOM 2289 C C GLN 256 . . B 2 32.105 12.083 16.098 1 49.17 ? C GLN 244 H 1 
ATOM 2290 O O GLN 256 . . B 2 33.13 12.416 15.497 1 48.26 ? O GLN 244 H 1 
ATOM 2291 C CB GLN 256 . . B 2 32.268 10.657 18.296 1 50 ? CB GLN 244 H 1 
ATOM 2292 C CG GLN 256 . . B 2 33.444 10.859 19.302 1 50 ? CG GLN 244 H 1 
ATOM 2293 C CD GLN 256 . . B 2 34.623 11.263 18.4 1 50 ? CD GLN 244 H 1 
ATOM 2294 O OE1 GLN 256 . . B 2 35.353 12.252 18.641 1 50 ? OE1 GLN 244 H 1 
ATOM 2295 N NE2 GLN 256 . . B 2 34.708 10.482 17.281 1 50 ? NE2 GLN 244 H 1 
ATOM 2296 N N PHE 257 . . B 2 30.96 11.802 15.495 1 50 ? N PHE 245 H 1 
ATOM 2297 C CA PHE 257 . . B 2 31.005 11.865 14.01 1 50 ? CA PHE 245 H 1 
ATOM 2298 C C PHE 257 . . B 2 29.584 11.993 13.493 1 50 ? C PHE 245 H 1 
ATOM 2299 O O PHE 257 . . B 2 29.337 11.697 12.314 1 50 ? O PHE 245 H 1 
ATOM 2300 C CB PHE 257 . . B 2 31.812 10.709 13.428 1 50 ? CB PHE 245 H 1 
ATOM 2301 C CG PHE 257 . . B 2 31.852 9.483 14.328 1 50 ? CG PHE 245 H 1 
ATOM 2302 C CD1 PHE 257 . . B 2 30.687 8.744 14.55 1 50 ? CD1 PHE 245 H 1 
ATOM 2303 C CD2 PHE 257 . . B 2 33.056 9.103 14.926 1 50 ? CD2 PHE 245 H 1 
ATOM 2304 C CE1 PHE 257 . . B 2 30.723 7.624 15.385 1 50 ? CE1 PHE 245 H 1 
ATOM 2305 C CE2 PHE 257 . . B 2 33.093 7.985 15.764 1 50 ? CE2 PHE 245 H 1 
ATOM 2306 C CZ PHE 257 . . B 2 31.926 7.246 15.994 1 50 ? CZ PHE 245 H 1 
ATOM 2307 N N GLY 258 . . B 2 28.767 12.634 14.294 1 50 ? N GLY 246 H 1 
ATOM 2308 C CA GLY 258 . . B 2 27.37 12.897 14.125 1 50 ? CA GLY 246 H 1 
ATOM 2309 C C GLY 258 . . B 2 26.755 13.882 13.164 1 50 ? C GLY 246 H 1 
ATOM 2310 O O GLY 258 . . B 2 27.225 14.211 12.043 1 50 ? O GLY 246 H 1 
ATOM 2311 N N GLU 259 . . B 2 25.496 14.181 13.572 1 50 ? N GLU 247 H 1 
ATOM 2312 C CA GLU 259 . . B 2 24.741 15.202 12.799 1 50 ? CA GLU 247 H 1 
ATOM 2313 C C GLU 259 . . B 2 24.807 16.529 13.576 1 50 ? C GLU 247 H 1 
ATOM 2314 O O GLU 259 . . B 2 24.499 16.617 14.812 1 50 ? O GLU 247 H 1 
ATOM 2315 C CB GLU 259 . . B 2 23.383 14.724 12.327 1 50 ? CB GLU 247 H 1 
ATOM 2316 C CG GLU 259 . . B 2 23.263 14.266 10.852 1 50 ? CG GLU 247 H 1 
ATOM 2317 C CD GLU 259 . . B 2 22.83 15.225 9.764 1 50 ? CD GLU 247 H 1 
ATOM 2318 O OE1 GLU 259 . . B 2 21.662 15.719 9.766 1 50 ? OE1 GLU 247 H 1 
ATOM 2319 O OE2 GLU 259 . . B 2 23.554 15.466 8.784 1 50 ? OE2 GLU 247 H 1 
ATOM 2320 O OXT GLU 259 . . B 2 25.459 17.422 12.967 1 50 ? OXT GLU 247 H 1 
ATOM 2321 N N ASP 3 . . C 3 6.937 -12.664 0.898 1 46.03 ? N ASP 355 I 1 
ATOM 2322 C CA ASP 3 . . C 3 5.5 -12.354 1.214 1 46.08 ? CA ASP 355 I 1 
ATOM 2323 C C ASP 3 . . C 3 5.388 -10.828 1.134 1 45.32 ? C ASP 355 I 1 
ATOM 2324 O O ASP 3 . . C 3 4.426 -10.147 0.746 1 45.22 ? O ASP 355 I 1 
ATOM 2325 C CB ASP 3 . . C 3 5.209 -13.067 2.497 1 49.17 ? CB ASP 355 I 1 
ATOM 2326 C CG ASP 3 . . C 3 3.833 -12.802 3.067 1 50 ? CG ASP 355 I 1 
ATOM 2327 O OD1 ASP 3 . . C 3 3.08 -12.108 2.333 1 50 ? OD1 ASP 355 I 1 
ATOM 2328 O OD2 ASP 3 . . C 3 3.572 -13.293 4.191 1 50 ? OD2 ASP 355 I 1 
ATOM 2329 N N PHE 4 . . C 3 6.599 -10.297 1.133 1 43.98 ? N PHE 356 I 1 
ATOM 2330 C CA PHE 4 . . C 3 6.9 -8.891 1.042 1 42.82 ? CA PHE 356 I 1 
ATOM 2331 C C PHE 4 . . C 3 6.73 -8.38 -0.374 1 43.08 ? C PHE 356 I 1 
ATOM 2332 O O PHE 4 . . C 3 7.536 -8.688 -1.246 1 42.84 ? O PHE 356 I 1 
ATOM 2333 C CB PHE 4 . . C 3 8.326 -8.616 1.54 1 43.01 ? CB PHE 356 I 1 
ATOM 2334 C CG PHE 4 . . C 3 8.45 -8.56 3.041 1 40.92 ? CG PHE 356 I 1 
ATOM 2335 C CD1 PHE 4 . . C 3 8.741 -9.697 3.762 1 38.57 ? CD1 PHE 356 I 1 
ATOM 2336 C CD2 PHE 4 . . C 3 8.346 -7.314 3.667 1 41.29 ? CD2 PHE 356 I 1 
ATOM 2337 C CE1 PHE 4 . . C 3 8.775 -9.632 5.135 1 39.12 ? CE1 PHE 356 I 1 
ATOM 2338 C CE2 PHE 4 . . C 3 8.386 -7.208 5.05 1 40.95 ? CE2 PHE 356 I 1 
ATOM 2339 C CZ PHE 4 . . C 3 8.564 -8.413 5.762 1 42.19 ? CZ PHE 356 I 1 
ATOM 2340 N N GLU 5 . . C 3 5.756 -7.485 -0.505 1 43.55 ? N GLU 357 I 1 
ATOM 2341 C CA GLU 5 . . C 3 5.559 -6.823 -1.798 1 43.43 ? CA GLU 357 I 1 
ATOM 2342 C C GLU 5 . . C 3 6.891 -6.171 -2.156 1 44.52 ? C GLU 357 I 1 
ATOM 2343 O O GLU 5 . . C 3 7.757 -5.87 -1.309 1 45.78 ? O GLU 357 I 1 
ATOM 2344 C CB GLU 5 . . C 3 4.448 -5.811 -1.818 1 39.69 ? CB GLU 357 I 1 
ATOM 2345 C CG GLU 5 . . C 3 4.539 -4.914 -3.05 1 38.19 ? CG GLU 357 I 1 
ATOM 2346 C CD GLU 5 . . C 3 3.595 -3.747 -2.906 1 37.95 ? CD GLU 357 I 1 
ATOM 2347 O OE1 GLU 5 . . C 3 2.835 -3.531 -1.982 1 36.65 ? OE1 GLU 357 I 1 
ATOM 2348 O OE2 GLU 5 . . C 3 3.807 -2.964 -3.844 1 40.79 ? OE2 GLU 357 I 1 
ATOM 2349 N N GLU 6 . . C 3 7.066 -5.906 -3.417 1 45.31 ? N GLU 358 I 1 
ATOM 2350 C CA GLU 6 . . C 3 8.32 -5.437 -4.001 1 47.06 ? CA GLU 358 I 1 
ATOM 2351 C C GLU 6 . . C 3 8.676 -3.989 -3.661 1 48.09 ? C GLU 358 I 1 
ATOM 2352 O O GLU 6 . . C 3 7.808 -3.07 -3.705 1 48.18 ? O GLU 358 I 1 
ATOM 2353 C CB GLU 6 . . C 3 8.295 -5.599 -5.54 1 48.18 ? CB GLU 358 I 1 
ATOM 2354 C CG GLU 6 . . C 3 7.491 -6.703 -6.2 1 49.96 ? CG GLU 358 I 1 
ATOM 2355 C CD GLU 6 . . C 3 6.071 -7.079 -5.872 1 50 ? CD GLU 358 I 1 
ATOM 2356 O OE1 GLU 6 . . C 3 5.177 -6.335 -6.362 1 50 ? OE1 GLU 358 I 1 
ATOM 2357 O OE2 GLU 6 . . C 3 5.728 -8.111 -5.279 1 50 ? OE2 GLU 358 I 1 
ATOM 2358 N N ILE 7 . . C 3 9.994 -3.816 -3.53 1 47.35 ? N ILE 359 I 1 
ATOM 2359 C CA ILE 7 . . C 3 10.505 -2.469 -3.258 1 48.01 ? CA ILE 359 I 1 
ATOM 2360 C C ILE 7 . . C 3 11.181 -1.962 -4.531 1 49.38 ? C ILE 359 I 1 
ATOM 2361 O O ILE 7 . . C 3 11.693 -2.886 -5.185 1 50 ? O ILE 359 I 1 
ATOM 2362 C CB ILE 7 . . C 3 11.403 -2.474 -1.999 1 46.27 ? CB ILE 359 I 1 
ATOM 2363 C CG1 ILE 7 . . C 3 12.757 -1.791 -2.283 1 45.29 ? CG1 ILE 359 I 1 
ATOM 2364 C CG2 ILE 7 . . C 3 11.6 -3.934 -1.507 1 49.07 ? CG2 ILE 359 I 1 
ATOM 2365 C CD1 ILE 7 . . C 3 13.773 -2.006 -1.123 1 43.8 ? CD1 ILE 359 I 1 
ATOM 2366 N N PRO 8 . . C 3 11.151 -0.644 -4.721 1 49.75 ? N PRO 360 I 1 
ATOM 2367 C CA PRO 8 . . C 3 11.734 0.1 -5.809 1 49.25 ? CA PRO 360 I 1 
ATOM 2368 C C PRO 8 . . C 3 13.264 0.134 -5.851 1 48.77 ? C PRO 360 I 1 
ATOM 2369 O O PRO 8 . . C 3 14.01 0.653 -5.02 1 47.95 ? O PRO 360 I 1 
ATOM 2370 C CB PRO 8 . . C 3 11.297 1.564 -5.623 1 50 ? CB PRO 360 I 1 
ATOM 2371 C CG PRO 8 . . C 3 10.715 1.692 -4.239 1 50 ? CG PRO 360 I 1 
ATOM 2372 C CD PRO 8 . . C 3 10.515 0.288 -3.742 1 50 ? CD PRO 360 I 1 
ATOM 2373 N N GLU 9 . . C 3 13.7 -0.265 -7.019 1 49.1 ? N GLU 361 I 1 
ATOM 2374 C CA GLU 9 . . C 3 15.09 -0.45 -7.403 1 50 ? CA GLU 361 I 1 
ATOM 2375 C C GLU 9 . . C 3 15.904 0.791 -7.096 1 50 ? C GLU 361 I 1 
ATOM 2376 O O GLU 9 . . C 3 17.163 0.707 -7.069 1 50 ? O GLU 361 I 1 
ATOM 2377 N N GLU 10 . . C 3 15.168 1.897 -7.078 1 50 ? N GLU 362 I 1 
ATOM 2378 C CA GLU 10 . . C 3 15.865 3.19 -6.8 1 50 ? CA GLU 362 I 1 
ATOM 2379 C C GLU 10 . . C 3 16.553 2.903 -5.45 1 50 ? C GLU 362 I 1 
ATOM 2380 O O GLU 10 . . C 3 17.607 3.478 -5.187 1 49.76 ? O GLU 362 I 1 
ATOM 2381 C CB GLU 10 . . C 3 14.987 4.444 -6.725 1 50 ? CB GLU 362 I 1 
ATOM 2382 C CG GLU 10 . . C 3 13.745 4.485 -5.866 1 50 ? CG GLU 362 I 1 
ATOM 2383 C CD GLU 10 . . C 3 12.384 5.002 -6.141 1 50 ? CD GLU 362 I 1 
ATOM 2384 O OE1 GLU 10 . . C 3 11.477 4.524 -6.854 1 50 ? OE1 GLU 362 I 1 
ATOM 2385 O OE2 GLU 10 . . C 3 12.157 5.993 -5.369 1 50 ? OE2 GLU 362 I 1 
HETATM 2386 N N TYS 11 . . C 3 16.02 1.856 -4.818 1 49.27 ? N TYS 363 I 1 
HETATM 2387 C CA TYS 11 . . C 3 16.457 1.399 -3.517 1 49.34 ? CA TYS 363 I 1 
HETATM 2388 C CB TYS 11 . . C 3 15.181 1.357 -2.643 1 47.73 ? CB TYS 363 I 1 
HETATM 2389 C CG TYS 11 . . C 3 14.427 2.655 -2.553 1 45.87 ? CG TYS 363 I 1 
HETATM 2390 C CD1 TYS 11 . . C 3 15.114 3.863 -2.368 1 45.18 ? CD1 TYS 363 I 1 
HETATM 2391 C CD2 TYS 11 . . C 3 13.036 2.631 -2.645 1 44.82 ? CD2 TYS 363 I 1 
HETATM 2392 C CE1 TYS 11 . . C 3 14.418 5.069 -2.27 1 43.22 ? CE1 TYS 363 I 1 
HETATM 2393 C CE2 TYS 11 . . C 3 12.343 3.819 -2.535 1 44.9 ? CE2 TYS 363 I 1 
HETATM 2394 C CZ TYS 11 . . C 3 13.047 5.006 -2.336 1 43.88 ? CZ TYS 363 I 1 
HETATM 2395 O OH TYS 11 . . C 3 12.253 6.115 -2.214 1 46.8 ? OH TYS 363 I 1 
HETATM 2396 S S TYS 11 . . C 3 11.097 6.113 -0.985 1 47.79 ? S TYS 363 I 1 
HETATM 2397 O O1 TYS 11 . . C 3 10.482 4.831 -0.942 1 45.55 ? O1 TYS 363 I 1 
HETATM 2398 O O2 TYS 11 . . C 3 12.08 6.58 -0.02 1 47.82 ? O2 TYS 363 I 1 
HETATM 2399 O O3 TYS 11 . . C 3 10.112 7.138 -1.327 1 48.48 ? O3 TYS 363 I 1 
HETATM 2400 C C TYS 11 . . C 3 17.028 -0.009 -3.34 1 49.88 ? C TYS 363 I 1 
HETATM 2401 O O TYS 11 . . C 3 16.794 -0.545 -2.23 1 50 ? O TYS 363 I 1 
ATOM 2402 N N LEU 12 . . C 3 17.67 -0.607 -4.29 1 49.53 ? N LEU 364 I 1 
ATOM 2403 C CA LEU 12 . . C 3 18.245 -1.948 -4.191 1 49.95 ? CA LEU 364 I 1 
ATOM 2404 C C LEU 12 . . C 3 19.67 -1.856 -4.743 1 50 ? C LEU 364 I 1 
ATOM 2405 O O LEU 12 . . C 3 20.275 -0.77 -4.485 1 50 ? O LEU 364 I 1 
ATOM 2406 C CB LEU 12 . . C 3 17.277 -2.911 -4.848 1 48.41 ? CB LEU 364 I 1 
ATOM 2407 C CG LEU 12 . . C 3 16.111 -3.374 -3.978 1 48.9 ? CG LEU 364 I 1 
ATOM 2408 C CD1 LEU 12 . . C 3 15.114 -4.239 -4.741 1 48.85 ? CD1 LEU 364 I 1 
ATOM 2409 C CD2 LEU 12 . . C 3 16.64 -4.197 -2.805 1 47.88 ? CD2 LEU 364 I 1 
HETATM 2410 O O4 34H 1 . . D 4 13.094 -17.697 23.835 1 31.86 ? O4 34H 1 J 1 
HETATM 2411 C C9 34H 1 . . D 4 15.602 -20.359 24.51 1 29.85 ? C9 34H 1 J 1 
HETATM 2412 C C8 34H 1 . . D 4 15.995 -20.508 25.818 1 29.73 ? C8 34H 1 J 1 
HETATM 2413 C C7 34H 1 . . D 4 15.068 -20.723 26.755 1 29.79 ? C7 34H 1 J 1 
HETATM 2414 C C6 34H 1 . . D 4 13.742 -20.812 26.421 1 28.89 ? C6 34H 1 J 1 
HETATM 2415 C C5 34H 1 . . D 4 13.354 -20.706 25.121 1 29.23 ? C5 34H 1 J 1 
HETATM 2416 C C4 34H 1 . . D 4 14.269 -20.383 24.194 1 29.89 ? C4 34H 1 J 1 
HETATM 2417 O O3 34H 1 . . D 4 15.406 -20.917 28.112 1 30.51 ? O3 34H 1 J 1 
HETATM 2418 C C3 34H 1 . . D 4 13.791 -19.843 22.873 1 31.04 ? C3 34H 1 J 1 
HETATM 2419 C C2 34H 1 . . D 4 13.818 -18.307 22.736 1 32.06 ? C2 34H 1 J 1 
HETATM 2420 C C1 34H 1 . . D 4 15.236 -17.781 22.754 1 32.42 ? C1 34H 1 J 1 
HETATM 2421 O O2 34H 1 . . D 4 16.115 -18.127 21.955 1 33.11 ? O2 34H 1 J 1 
ATOM 2422 N N LEU 2 . . D 4 15.422 -16.873 23.701 1 33.67 ? N LEU 2 J 1 
ATOM 2423 C CA LEU 2 . . D 4 16.566 -16.038 24.045 1 34.16 ? CA LEU 2 J 1 
ATOM 2424 C C LEU 2 . . D 4 16.445 -14.947 23.015 1 33.75 ? C LEU 2 J 1 
ATOM 2425 O O LEU 2 . . D 4 15.451 -14.204 23.115 1 33.64 ? O LEU 2 J 1 
ATOM 2426 C CB LEU 2 . . D 4 17.767 -16.95 24.218 1 35.33 ? CB LEU 2 J 1 
ATOM 2427 C CG LEU 2 . . D 4 17.658 -17.686 25.547 1 33.72 ? CG LEU 2 J 1 
ATOM 2428 C CD1 LEU 2 . . D 4 18.588 -17.049 26.554 1 34.12 ? CD1 LEU 2 J 1 
ATOM 2429 C CD2 LEU 2 . . D 4 16.243 -17.585 26.122 1 32.53 ? CD2 LEU 2 J 1 
HETATM 2430 O O PRJ 3 . . D 4 15.522 -13.947 19.768 1 35.93 ? O PRJ 3 J 1 
HETATM 2431 N N PRJ 3 . . D 4 17.262 -14.761 21.976 1 34.05 ? N PRJ 3 J 1 
HETATM 2432 C C PRJ 3 . . D 4 16.007 -13.108 20.529 1 34.79 ? C PRJ 3 J 1 
HETATM 2433 C CA PRJ 3 . . D 4 17.151 -13.511 21.311 1 34.56 ? CA PRJ 3 J 1 
HETATM 2434 C CB PRJ 3 . . D 4 18.536 -13.275 20.659 1 34.43 ? CB PRJ 3 J 1 
HETATM 2435 C CG PRJ 3 . . D 4 19.539 -14.175 21.363 1 34.37 ? CG PRJ 3 J 1 
HETATM 2436 C C11 PRJ 3 . . D 4 20.841 -14.395 20.604 1 35 ? C11 PRJ 3 J 1 
HETATM 2437 C C12 PRJ 3 . . D 4 20.607 -15.131 19.215 1 35.19 ? C12 PRJ 3 J 1 
HETATM 2438 C C13 PRJ 3 . . D 4 19.73 -16.368 19.498 1 35.81 ? C13 PRJ 3 J 1 
HETATM 2439 C C14 PRJ 3 . . D 4 18.328 -16.047 20.146 1 35.43 ? C14 PRJ 3 J 1 
HETATM 2440 C CD PRJ 3 . . D 4 18.518 -15.334 21.587 1 34.9 ? CD PRJ 3 J 1 
HETATM 2441 O O2 PRJ 3 . . D 4 20.409 -17.461 20.107 1 36.25 ? O2 PRJ 3 J 1 
HETATM 2442 O O OAR 4 . . D 4 15.761 -11.052 17.937 1 33.76 ? O OAR 4 J 1 
HETATM 2443 N N1 OAR 4 . . D 4 15.461 -11.891 20.571 1 33.49 ? N1 OAR 4 J 1 
HETATM 2444 N NE OAR 4 . . D 4 11.498 -12.16 23.68 1 29.99 ? NE OAR 4 J 1 
HETATM 2445 N NH1 OAR 4 . . D 4 10.367 -10.548 25.008 1 29.07 ? NH1 OAR 4 J 1 
HETATM 2446 N NH2 OAR 4 . . D 4 10.157 -12.834 25.468 1 29.35 ? NH2 OAR 4 J 1 
HETATM 2447 C CA OAR 4 . . D 4 14.254 -11.607 19.907 1 33.28 ? CA OAR 4 J 1 
HETATM 2448 C CB OAR 4 . . D 4 13.209 -10.809 20.739 1 32 ? CB OAR 4 J 1 
HETATM 2449 C CG OAR 4 . . D 4 13.174 -11.783 21.908 1 30.27 ? CG OAR 4 J 1 
HETATM 2450 C CD OAR 4 . . D 4 12.218 -11.1 22.929 1 29.94 ? CD OAR 4 J 1 
HETATM 2451 C CZ OAR 4 . . D 4 10.674 -11.833 24.72 1 29.47 ? CZ OAR 4 J 1 
HETATM 2452 C C OAR 4 . . D 4 14.551 -10.698 18.713 1 33.28 ? C OAR 4 J 1 
HETATM 2453 NA NA NA . . . E 5 5.884 -13.758 30.449 1 28 ? NA NA 626 H 1 
HETATM 2454 O O HOH . . . F 6 -6.319 6.515 26.148 1 30.26 ? O HOH 471 L 1 
HETATM 2455 O O HOH . . . F 6 -6.164 13.032 13.311 0.56 32.48 ? O HOH 487 L 1 
HETATM 2456 O O HOH . . . F 6 -2.648 1.026 33.911 0.71 27.25 ? O HOH 493 L 1 
HETATM 2457 O O HOH . . . F 6 -1.991 12.315 22.956 0.99 23.2 ? O HOH 495 L 1 
HETATM 2458 O O HOH . . . F 6 -5.35 15.911 24.633 0.5 31.96 ? O HOH 499 L 1 
HETATM 2459 O O HOH . . . F 6 16.955 17.82 28.127 0.63 18.45 ? O HOH 507 L 1 
HETATM 2460 O O HOH . . . F 6 -4.997 10.644 15.082 0.98 28.89 ? O HOH 508 L 1 
HETATM 2461 O O HOH . . . F 6 -3.337 -0.227 21.992 0.76 42.58 ? O HOH 510 L 1 
HETATM 2462 O O HOH . . . F 6 -4.086 19.659 12.755 1 34.16 ? O HOH 517 L 1 
HETATM 2463 O O HOH . . . F 6 -9.113 11.636 21.499 0.84 34.05 ? O HOH 519 L 1 
HETATM 2464 O O HOH . . . F 6 -8.608 7.801 25.948 0.32 26.39 ? O HOH 520 L 1 
HETATM 2465 O O HOH . . . F 6 -9.958 4.797 27.659 0.63 28.38 ? O HOH 525 L 1 
HETATM 2466 O O HOH . . . F 6 -2.315 17.581 37.247 0.77 29.4 ? O HOH 528 L 1 
HETATM 2467 O O HOH . . . F 6 -7.749 10.252 17.715 0.72 43.15 ? O HOH 533 L 1 
HETATM 2468 O O HOH . . . F 6 21.419 20.633 20.468 0.73 37.51 ? O HOH 542 L 1 
HETATM 2469 O O HOH . . . F 6 14.075 15.311 28.475 0.92 35.35 ? O HOH 543 L 1 
HETATM 2470 O O HOH . . . F 6 16.893 16.12 13.849 0.83 25.94 ? O HOH 549 L 1 
HETATM 2471 O O HOH . . . F 6 13.674 19.446 13.528 0.54 37.74 ? O HOH 558 L 1 
HETATM 2472 O O HOH . . . F 6 -0.087 17.797 13.225 0.77 34.75 ? O HOH 563 L 1 
HETATM 2473 O O HOH . . . F 6 1.918 1.564 39.263 0.63 32.46 ? O HOH 565 L 1 
HETATM 2474 O O HOH . . . F 6 -7.937 7.415 19.645 0.8 34.16 ? O HOH 567 L 1 
HETATM 2475 O O HOH . . . F 6 12.524 22.794 15.565 0.51 23.96 ? O HOH 570 L 1 
HETATM 2476 O O HOH . . . F 6 17.459 21.267 18.332 0.32 10.21 ? O HOH 573 L 1 
HETATM 2477 O O HOH . . . F 6 -9.447 7.887 23.63 0.67 43.17 ? O HOH 575 L 1 
HETATM 2478 O O HOH . . . F 6 -6.62 8.619 33.467 0.63 30.62 ? O HOH 577 L 1 
HETATM 2479 O O HOH . . . F 6 13.664 24.877 18.003 0.42 21.06 ? O HOH 585 L 1 
HETATM 2480 O O HOH . . . G 6 12.284 -8.265 25.198 1 11.36 ? O HOH 450 H 1 
HETATM 2481 O O HOH . . . G 6 9.909 -3.968 16.686 1 21.92 ? O HOH 451 H 1 
HETATM 2482 O O HOH . . . G 6 16.766 3.715 30.123 1 19.4 ? O HOH 452 H 1 
HETATM 2483 O O HOH . . . G 6 1.753 5.221 -0.486 0.9 31.38 ? O HOH 453 H 1 
HETATM 2484 O O HOH . . . G 6 21.919 -4.857 27.685 1 23.17 ? O HOH 454 H 1 
HETATM 2485 O O HOH . . . G 6 1.713 4.744 10.637 0.98 18.48 ? O HOH 455 H 1 
HETATM 2486 O O HOH . . . G 6 0.512 1.11 -0.67 0.9 33.34 ? O HOH 456 H 1 
HETATM 2487 O O HOH . . . G 6 1.704 10.696 14.069 1 24.26 ? O HOH 457 H 1 
HETATM 2488 O O HOH . . . G 6 8.679 2.013 9.669 1 20.89 ? O HOH 458 H 1 
HETATM 2489 O O HOH . . . G 6 6.016 3.467 20.41 1 23.48 ? O HOH 459 H 1 
HETATM 2490 O O HOH . . . G 6 21.898 0.545 3.233 1 29.94 ? O HOH 460 H 1 
HETATM 2491 O O HOH . . . G 6 13.156 -14.641 31.531 1 20.76 ? O HOH 461 H 1 
HETATM 2492 O O HOH . . . G 6 2.499 13.95 6.1 0.73 38.8 ? O HOH 463 H 1 
HETATM 2493 O O HOH . . . G 6 4.866 -7.14 35.912 1 24.1 ? O HOH 464 H 1 
HETATM 2494 O O HOH . . . G 6 10.093 14.707 31.365 1 27.06 ? O HOH 465 H 1 
HETATM 2495 O O HOH . . . G 6 9.441 -5.299 14.524 1 14.52 ? O HOH 466 H 1 
HETATM 2496 O O HOH . . . G 6 13.32 18.371 24.439 0.92 36.53 ? O HOH 467 H 1 
HETATM 2497 O O HOH . . . G 6 7.314 10.307 1.687 0.66 27.73 ? O HOH 468 H 1 
HETATM 2498 O O HOH . . . G 6 8.284 -8.123 27.668 1 21.24 ? O HOH 469 H 1 
HETATM 2499 O O HOH . . . G 6 30.647 -13.066 29.842 1 26.15 ? O HOH 470 H 1 
HETATM 2500 O O HOH . . . G 6 5.684 -4.737 37.971 0.99 31.27 ? O HOH 472 H 1 
HETATM 2501 O O HOH . . . G 6 -4.422 8.823 13.402 1 31.2 ? O HOH 473 H 1 
HETATM 2502 O O HOH . . . G 6 5.868 10.423 5.505 1 25.63 ? O HOH 474 H 1 
HETATM 2503 O O HOH . . . G 6 31.774 -10.511 23.519 0.64 21.43 ? O HOH 475 H 1 
HETATM 2504 O O HOH . . . G 6 6.739 15.522 12.244 0.96 27.13 ? O HOH 476 H 1 
HETATM 2505 O O HOH . . . G 6 -2.836 -3.462 35.369 0.82 32.57 ? O HOH 477 H 1 
HETATM 2506 O O HOH . . . G 6 27.491 0.322 30.735 0.83 25.69 ? O HOH 478 H 1 
HETATM 2507 O O HOH . . . G 6 8.114 5.464 11.282 0.99 32.17 ? O HOH 479 H 1 
HETATM 2508 O O HOH . . . G 6 20.71 -6.89 26.559 1 26.09 ? O HOH 480 H 1 
HETATM 2509 O O HOH . . . G 6 0.167 -13.57 32.916 0.7 34.44 ? O HOH 481 H 1 
HETATM 2510 O O HOH . . . G 6 3.184 -10.515 29.749 0.68 18.67 ? O HOH 482 H 1 
HETATM 2511 O O HOH . . . G 6 26.991 -0.499 38.119 1 42.67 ? O HOH 483 H 1 
HETATM 2512 O O HOH . . . G 6 10.805 -21.521 29.86 0.79 35.33 ? O HOH 484 H 1 
HETATM 2513 O O HOH . . . G 6 1.442 -0.455 -3.108 0.69 35.18 ? O HOH 485 H 1 
HETATM 2514 O O HOH . . . G 6 6.885 -21.743 31.219 1 44.44 ? O HOH 486 H 1 
HETATM 2515 O O HOH . . . G 6 6.099 1.387 -7.295 0.4 24.41 ? O HOH 488 H 1 
HETATM 2516 O O HOH . . . G 6 31.662 -0.755 11.667 1 49.87 ? O HOH 489 H 1 
HETATM 2517 O O HOH . . . G 6 3.365 3.834 13.436 1 23.94 ? O HOH 490 H 1 
HETATM 2518 O O HOH . . . G 6 1.128 2.558 12.764 1 23.32 ? O HOH 492 H 1 
HETATM 2519 O O HOH . . . G 6 3.941 6.143 11.415 1 23.79 ? O HOH 496 H 1 
HETATM 2520 O O HOH . . . G 6 3.976 7.326 -6.454 1 42.08 ? O HOH 497 H 1 
HETATM 2521 O O HOH . . . G 6 28.063 -5.407 11.952 0.89 40.1 ? O HOH 498 H 1 
HETATM 2522 O O HOH . . . G 6 1.924 4.988 8.266 1 30.33 ? O HOH 500 H 1 
HETATM 2523 O O HOH . . . G 6 21.675 13.603 30.375 0.69 32.97 ? O HOH 501 H 1 
HETATM 2524 O O HOH . . . G 6 5.8 19.712 25.234 0.76 24.83 ? O HOH 502 H 1 
HETATM 2525 O O HOH . . . G 6 5.328 -11.607 32.358 0.81 22.71 ? O HOH 503 H 1 
HETATM 2526 O O HOH . . . G 6 -5.529 -13.698 27.472 0.89 34.67 ? O HOH 504 H 1 
HETATM 2527 O O HOH . . . G 6 3.565 4.968 20.854 1 26.8 ? O HOH 505 H 1 
HETATM 2528 O O HOH . . . G 6 -0.235 -8.971 18.843 1 22.68 ? O HOH 506 H 1 
HETATM 2529 O O HOH . . . G 6 26.628 -5.056 35.121 0.7 32.79 ? O HOH 511 H 1 
HETATM 2530 O O HOH . . . G 6 12.758 -15.348 6.772 0.88 36.24 ? O HOH 512 H 1 
HETATM 2531 O O HOH . . . G 6 32.416 -7.47 21.231 0.85 45.66 ? O HOH 513 H 1 
HETATM 2532 O O HOH . . . G 6 -3.13 -7.655 12.077 0.99 35.62 ? O HOH 514 H 1 
HETATM 2533 O O HOH . . . G 6 31.455 1.655 17.416 0.55 19.05 ? O HOH 515 H 1 
HETATM 2534 O O HOH . . . G 6 17.379 9.245 3.739 0.67 27.97 ? O HOH 516 H 1 
HETATM 2535 O O HOH . . . G 6 6.059 23.964 25.373 0.68 31.46 ? O HOH 518 H 1 
HETATM 2536 O O HOH . . . G 6 5.729 -22.865 22.062 0.96 46.7 ? O HOH 521 H 1 
HETATM 2537 O O HOH . . . G 6 -2.54 -3.72 23.614 0.61 30.51 ? O HOH 522 H 1 
HETATM 2538 O O HOH . . . G 6 -4.273 -9.761 28.086 0.82 34.5 ? O HOH 523 H 1 
HETATM 2539 O O HOH . . . G 6 -0.623 16.945 24.322 0.63 20.96 ? O HOH 524 H 1 
HETATM 2540 O O HOH . . . G 6 26.266 -10.383 -0.73 0.71 44.98 ? O HOH 526 H 1 
HETATM 2541 O O HOH . . . G 6 4.385 -17.796 14.691 0.57 23.97 ? O HOH 527 H 1 
HETATM 2542 O O HOH . . . G 6 15.403 12.468 20.042 1 22.31 ? O HOH 529 H 1 
HETATM 2543 O O HOH . . . G 6 15.199 1.159 19.141 1 21.72 ? O HOH 530 H 1 
HETATM 2544 O O HOH . . . G 6 -6.078 -5.801 17.467 1 24.72 ? O HOH 531 H 1 
HETATM 2545 O O HOH . . . G 6 12.397 -12.76 42.731 0.96 29.93 ? O HOH 532 H 1 
HETATM 2546 O O HOH . . . G 6 26.032 4.328 33.532 0.92 32.7 ? O HOH 534 H 1 
HETATM 2547 O O HOH . . . G 6 0.62 -1.384 36.554 1 34.99 ? O HOH 535 H 1 
HETATM 2548 O O HOH . . . G 6 5.29 4.048 12.161 1 18.1 ? O HOH 536 H 1 
HETATM 2549 O O HOH . . . G 6 17.129 -15.067 13.755 0.64 14.77 ? O HOH 538 H 1 
HETATM 2550 O O HOH . . . G 6 -8.909 -5.467 32.814 0.49 28.12 ? O HOH 539 H 1 
HETATM 2551 O O HOH . . . G 6 6.444 -10.444 29.351 0.84 33.14 ? O HOH 540 H 1 
HETATM 2552 O O HOH . . . G 6 29.732 -8.424 30.697 0.63 24.42 ? O HOH 541 H 1 
HETATM 2553 O O HOH . . . G 6 31.165 -5.278 18.949 0.92 30.42 ? O HOH 544 H 1 
HETATM 2554 O O HOH . . . G 6 3.438 -19.151 25.563 0.98 40.47 ? O HOH 545 H 1 
HETATM 2555 O O HOH . . . G 6 29.909 0.205 29.478 0.7 21.68 ? O HOH 546 H 1 
HETATM 2556 O O HOH . . . G 6 -6.134 -0.788 16.864 0.56 35.28 ? O HOH 547 H 1 
HETATM 2557 O O HOH . . . G 6 32.673 -8.346 10.476 0.81 45.35 ? O HOH 550 H 1 
HETATM 2558 O O HOH . . . G 6 25.507 -15.684 22.227 0.48 24.45 ? O HOH 551 H 1 
HETATM 2559 O O HOH . . . G 6 38.67 -16.487 21.841 0.5 24.76 ? O HOH 552 H 1 
HETATM 2560 O O HOH . . . G 6 7.564 -24.697 30.518 0.59 16.55 ? O HOH 554 H 1 
HETATM 2561 O O HOH . . . G 6 32.446 12.292 22.918 0.71 39.43 ? O HOH 555 H 1 
HETATM 2562 O O HOH . . . G 6 -4.054 -16.653 28.782 0.8 36.59 ? O HOH 556 H 1 
HETATM 2563 O O HOH . . . G 6 7.698 19.416 8.916 0.61 46.44 ? O HOH 557 H 1 
HETATM 2564 O O HOH . . . G 6 28.822 -11.147 6.791 0.65 35.37 ? O HOH 559 H 1 
HETATM 2565 O O HOH . . . G 6 6.911 9.007 38.789 1 28.76 ? O HOH 560 H 1 
HETATM 2566 O O HOH . . . G 6 35.849 -0.182 26.659 0.5 45.44 ? O HOH 561 H 1 
HETATM 2567 O O HOH . . . G 6 32.121 3.619 19.911 0.63 33.81 ? O HOH 562 H 1 
HETATM 2568 O O HOH . . . G 6 -4.493 -12.429 14.434 0.52 30.59 ? O HOH 564 H 1 
HETATM 2569 O O HOH . . . G 6 23.116 -7.224 -0.728 0.46 26.5 ? O HOH 566 H 1 
HETATM 2570 O O HOH . . . G 6 14.542 17.213 8.817 1 50 ? O HOH 568 H 1 
HETATM 2571 O O HOH . . . G 6 11.955 -12.44 11.986 0.28 10 ? O HOH 569 H 1 
HETATM 2572 O O HOH . . . G 6 16.263 4.67 38.025 0.85 49.16 ? O HOH 571 H 1 
HETATM 2573 O O HOH . . . G 6 5.804 11.796 -9.476 0.47 27.24 ? O HOH 572 H 1 
HETATM 2574 O O HOH . . . G 6 -4.046 -5.298 7.915 0.57 16.21 ? O HOH 574 H 1 
HETATM 2575 O O HOH . . . G 6 4.057 0.435 -6.392 0.54 27.33 ? O HOH 576 H 1 
HETATM 2576 O O HOH . . . G 6 23.776 -13.886 8.042 0.73 23.97 ? O HOH 578 H 1 
HETATM 2577 O O HOH . . . G 6 3.096 16.64 10.583 0.77 31.46 ? O HOH 579 H 1 
HETATM 2578 O O HOH . . . G 6 11.151 -24.657 26.626 0.59 33.9 ? O HOH 580 H 1 
HETATM 2579 O O HOH . . . G 6 -0.651 -4.62 5.389 1 29.8 ? O HOH 581 H 1 
HETATM 2580 O O HOH . . . G 6 3.82 -8.347 15.754 0.83 19.18 ? O HOH 582 H 1 
HETATM 2581 O O HOH . . . G 6 7.765 -14.09 39.546 0.81 19.98 ? O HOH 583 H 1 
HETATM 2582 O O HOH . . . G 6 26.827 -9.539 36.184 0.93 25.39 ? O HOH 584 H 1 
HETATM 2583 O O HOH . . . G 6 17.395 4.758 35.882 0.55 41.14 ? O HOH 586 H 1 
HETATM 2584 O O HOH . . . G 6 22.438 8.318 37.171 0.76 27.54 ? O HOH 587 H 1 
HETATM 2585 O O HOH . . . G 6 32.503 1.413 28.168 0.74 29.71 ? O HOH 588 H 1 
HETATM 2586 O O HOH . . . G 6 32.134 3.698 25.857 0.4 21.84 ? O HOH 589 H 1 
HETATM 2587 O O HOH . . . G 6 33.237 -6.846 25.915 0.54 36.35 ? O HOH 590 H 1 
HETATM 2588 O O HOH . . . G 6 10.006 -15.934 5.536 0.53 25.56 ? O HOH 593 H 1 
HETATM 2589 O O HOH . . . G 6 10.153 18.626 13.967 0.91 48.56 ? O HOH 594 H 1 
HETATM 2590 O O HOH . . . G 6 -1.812 -7.317 27.016 0.68 17.73 ? O HOH 595 H 1 
HETATM 2591 O O HOH . . . G 6 2.873 -20.425 29.249 0.78 48.27 ? O HOH 596 H 1 
HETATM 2592 O O HOH . . . G 6 0.249 16.575 6.496 0.61 47.28 ? O HOH 597 H 1 
HETATM 2593 O O HOH . . . G 6 9.316 21.21 21.324 0.81 37.69 ? O HOH 598 H 1 
HETATM 2594 O O HOH . . . G 6 37.88 -3.651 29.107 0.79 43.58 ? O HOH 599 H 1 
HETATM 2595 O O HOH . . . G 6 4.897 10.785 -5.206 0.58 18.72 ? O HOH 600 H 1 
HETATM 2596 O O HOH . . . G 6 17.134 -12.421 43.321 0.77 27.95 ? O HOH 601 H 1 
HETATM 2597 O O HOH . . . G 6 10.806 12.214 -0.124 0.55 15.56 ? O HOH 602 H 1 
HETATM 2598 O O HOH . . . G 6 10.579 -18.673 19.863 0.46 29.73 ? O HOH 603 H 1 
HETATM 2599 O O HOH . . . G 6 -2.04 -14.935 21.232 0.47 11.62 ? O HOH 604 H 1 
HETATM 2600 O O HOH . . . G 6 -7.651 -13.726 32.38 0.62 50 ? O HOH 605 H 1 
HETATM 2601 O O HOH . . . G 6 36.556 -11.411 19.398 0.57 25.67 ? O HOH 606 H 1 
HETATM 2602 O O HOH . . . G 6 33.275 -9.066 18.618 0.48 35.32 ? O HOH 607 H 1 
HETATM 2603 O O HOH . . . G 6 26.776 -19.176 21.422 0.81 22.88 ? O HOH 608 H 1 
HETATM 2604 O O HOH . . . G 6 24.332 -22.366 16.867 0.55 38.8 ? O HOH 609 H 1 
HETATM 2605 O O HOH . . . G 6 22.089 -15.719 25.31 0.92 25.83 ? O HOH 610 H 1 
HETATM 2606 O O HOH . . . G 6 31.26 6.881 28.876 0.54 21.35 ? O HOH 611 H 1 
HETATM 2607 O O HOH . . . G 6 32.856 1.395 7.233 0.84 37.6 ? O HOH 613 H 1 
HETATM 2608 O O HOH . . . G 6 7.305 -4.547 1.044 0.91 25.89 ? O HOH 615 H 1 
HETATM 2609 O O HOH . . . G 6 33.356 4.743 22.129 0.88 47.31 ? O HOH 616 H 1 
HETATM 2610 O O HOH . . . G 6 2.457 -2.887 40.452 0.78 50 ? O HOH 617 H 1 
HETATM 2611 O O HOH . . . G 6 7.362 10.217 -8.227 0.37 10.77 ? O HOH 618 H 1 
HETATM 2612 O O HOH . . . G 6 32.765 1.527 14.066 0.62 26.76 ? O HOH 619 H 1 
HETATM 2613 O O HOH . . . G 6 36.238 -1.409 24.495 0.8 46.03 ? O HOH 620 H 1 
HETATM 2614 O O HOH . . . G 6 -2.161 -11.081 18.66 0.86 46.07 ? O HOH 621 H 1 
HETATM 2615 O O HOH . . . G 6 11.607 17.763 8.266 0.85 34.07 ? O HOH 622 H 1 
HETATM 2616 O O HOH . . . G 6 8.317 18.042 11.272 0.57 15.32 ? O HOH 623 H 1 
HETATM 2617 O O HOH . . . G 6 24.023 -20.492 19.471 0.89 45.14 ? O HOH 625 H 1 
HETATM 2618 O O HOH . . . H 6 3.379 -7.946 -4.821 0.82 35.94 ? O HOH 491 I 1 
HETATM 2619 O O HOH . . . H 6 3.046 -10.389 -6.708 0.89 32.75 ? O HOH 509 I 1 
HETATM 2620 O O HOH . . . H 6 10.26 -10.647 -4.845 0.26 15.61 ? O HOH 537 I 1 
HETATM 2621 O O HOH . . . H 6 12.095 6.92 -10.176 0.45 16.6 ? O HOH 548 I 1 
HETATM 2622 O O HOH . . . H 6 5.93 -12.299 5.008 1 43.15 ? O HOH 553 I 1 
HETATM 2623 O O HOH . . . H 6 13.359 8.466 -7.705 0.72 42.51 ? O HOH 614 I 1 
HETATM 2624 O O HOH . . . I 6 12.73 -14.481 21.246 0.88 29.16 ? O HOH 462 J 1 
HETATM 2625 O O HOH . . . I 6 16.9 -19.727 18.548 0.51 37.41 ? O HOH 494 J 1 
HETATM 2626 O O HOH . . . I 6 12.628 -16.596 19.561 0.56 31.6 ? O HOH 591 J 1 
HETATM 2627 O O HOH . . . I 6 13.554 -21.496 17.968 0.51 48.83 ? O HOH 592 J 1 
HETATM 2628 O O HOH . . . I 6 21.571 -21.131 21.762 0.46 36.84 ? O HOH 612 J 1 
HETATM 2629 O O HOH . . . I 6 21.076 -20.895 24.207 0.69 36.43 ? O HOH 624 J 1 
#
_database_PDB_caveat.id      1 
_database_PDB_caveat.text    'The C-N bond distance is too long between ASP 14L  and GLY 14M  in chain L.' 
#
loop_
_pdbx_poly_seq_scheme.asym_id
_pdbx_poly_seq_scheme.entity_id
_pdbx_poly_seq_scheme.seq_id
_pdbx_poly_seq_scheme.mon_id
_pdbx_poly_seq_scheme.ndb_seq_num
_pdbx_poly_seq_scheme.pdb_seq_num
_pdbx_poly_seq_scheme.auth_seq_num
_pdbx_poly_seq_scheme.pdb_mon_id
_pdbx_poly_seq_scheme.auth_mon_id
_pdbx_poly_seq_scheme.pdb_strand_id
_pdbx_poly_seq_scheme.pdb_ins_code
_pdbx_poly_seq_scheme.hetero
A 1 1 THR 1 1 1 THR THR L H n 
A 1 2 PHE 2 1 1 PHE PHE L G n 
A 1 3 GLY 3 1 1 GLY GLY L F n 
A 1 4 SER 4 1 1 SER SER L E n 
A 1 5 GLY 5 1 1 GLY GLY L D n 
A 1 6 GLU 6 1 1 GLU GLU L C n 
A 1 7 ALA 7 1 1 ALA ALA L B n 
A 1 8 ASP 8 1 1 ASP ASP L A n 
A 1 9 CYS 9 1 1 CYS CYS L . n 
A 1 10 GLY 10 2 2 GLY GLY L . n 
A 1 11 LEU 11 3 3 LEU LEU L . n 
A 1 12 ARG 12 4 4 ARG ARG L . n 
A 1 13 PRO 13 5 5 PRO PRO L . n 
A 1 14 LEU 14 6 6 LEU LEU L . n 
A 1 15 PHE 15 7 7 PHE PHE L . n 
A 1 16 GLU 16 8 8 GLU GLU L . n 
A 1 17 LYS 17 9 9 LYS LYS L . n 
A 1 18 LYS 18 10 10 LYS LYS L . n 
A 1 19 SER 19 11 11 SER SER L . n 
A 1 20 LEU 20 12 12 LEU LEU L . n 
A 1 21 GLU 21 13 13 GLU GLU L . n 
A 1 22 ASP 22 14 14 ASP ASP L . n 
A 1 23 LYS 23 14 14 LYS LYS L A n 
A 1 24 THR 24 14 14 THR THR L B n 
A 1 25 GLU 25 14 14 GLU GLU L C n 
A 1 26 ARG 26 14 14 ARG ARG L D n 
A 1 27 GLU 27 14 14 GLU GLU L E n 
A 1 28 LEU 28 14 14 LEU LEU L F n 
A 1 29 LEU 29 14 14 LEU LEU L G n 
A 1 30 GLU 30 14 14 GLU GLU L H n 
A 1 31 SER 31 14 14 SER SER L I n 
A 1 32 TYR 32 14 14 TYR TYR L J n 
A 1 33 ILE 33 14 14 ILE ILE L K n 
A 1 34 ASP 34 14 14 ASP ASP L L n 
A 1 35 GLY 35 14 14 GLY GLY L M n 
A 1 36 ARG 36 15 15 ARG ARG L . n 
B 2 1 ILE 1 16 16 ILE ILE H . n 
B 2 2 VAL 2 17 17 VAL VAL H . n 
B 2 3 GLU 3 18 18 GLU GLU H . n 
B 2 4 GLY 4 19 19 GLY GLY H . n 
B 2 5 SER 5 20 20 SER SER H . n 
B 2 6 ASP 6 21 21 ASP ASP H . n 
B 2 7 ALA 7 22 22 ALA ALA H . n 
B 2 8 GLU 8 23 23 GLU GLU H . n 
B 2 9 ILE 9 24 24 ILE ILE H . n 
B 2 10 GLY 10 25 25 GLY GLY H . n 
B 2 11 MET 11 26 26 MET MET H . n 
B 2 12 SER 12 27 27 SER SER H . n 
B 2 13 PRO 13 28 28 PRO PRO H . n 
B 2 14 TRP 14 29 29 TRP TRP H . n 
B 2 15 GLN 15 30 30 GLN GLN H . n 
B 2 16 VAL 16 31 31 VAL VAL H . n 
B 2 17 MET 17 32 32 MET MET H . n 
B 2 18 LEU 18 33 33 LEU LEU H . n 
B 2 19 PHE 19 34 34 PHE PHE H . n 
B 2 20 ARG 20 35 35 ARG ARG H . n 
B 2 21 LYS 21 36 36 LYS LYS H . n 
B 2 22 SER 22 36 36 SER SER H A n 
B 2 23 PRO 23 37 37 PRO PRO H . n 
B 2 24 GLN 24 38 38 GLN GLN H . n 
B 2 25 GLU 25 39 39 GLU GLU H . n 
B 2 26 LEU 26 40 40 LEU LEU H . n 
B 2 27 LEU 27 41 41 LEU LEU H . n 
B 2 28 CYS 28 42 42 CYS CYS H . n 
B 2 29 GLY 29 43 43 GLY GLY H . n 
B 2 30 ALA 30 44 44 ALA ALA H . n 
B 2 31 SER 31 45 45 SER SER H . n 
B 2 32 LEU 32 46 46 LEU LEU H . n 
B 2 33 ILE 33 47 47 ILE ILE H . n 
B 2 34 SER 34 48 48 SER SER H . n 
B 2 35 ASP 35 49 49 ASP ASP H . n 
B 2 36 ARG 36 50 50 ARG ARG H . n 
B 2 37 TRP 37 51 51 TRP TRP H . n 
B 2 38 VAL 38 52 52 VAL VAL H . n 
B 2 39 LEU 39 53 53 LEU LEU H . n 
B 2 40 THR 40 54 54 THR THR H . n 
B 2 41 ALA 41 55 55 ALA ALA H . n 
B 2 42 ALA 42 56 56 ALA ALA H . n 
B 2 43 HIS 43 57 57 HIS HIS H . n 
B 2 44 CYS 44 58 58 CYS CYS H . n 
B 2 45 LEU 45 59 59 LEU LEU H . n 
B 2 46 LEU 46 60 60 LEU LEU H . n 
B 2 47 TYR 47 60 60 TYR TYR H A n 
B 2 48 PRO 48 60 60 PRO PRO H B n 
B 2 49 PRO 49 60 60 PRO PRO H C n 
B 2 50 TRP 50 60 60 TRP TRP H D n 
B 2 51 ASP 51 60 60 ASP ASP H E n 
B 2 52 LYS 52 60 60 LYS LYS H F n 
B 2 53 ASN 53 60 60 ASN ASN H G n 
B 2 54 PHE 54 60 60 PHE PHE H H n 
B 2 55 THR 55 60 60 THR THR H I n 
B 2 56 GLU 56 61 61 GLU GLU H . n 
B 2 57 ASN 57 62 62 ASN ASN H . n 
B 2 58 ASP 58 63 63 ASP ASP H . n 
B 2 59 LEU 59 64 64 LEU LEU H . n 
B 2 60 LEU 60 65 65 LEU LEU H . n 
B 2 61 VAL 61 66 66 VAL VAL H . n 
B 2 62 ARG 62 67 67 ARG ARG H . n 
B 2 63 ILE 63 68 68 ILE ILE H . n 
B 2 64 GLY 64 69 69 GLY GLY H . n 
B 2 65 LYS 65 70 70 LYS LYS H . n 
B 2 66 HIS 66 71 71 HIS HIS H . n 
B 2 67 SER 67 72 72 SER SER H . n 
B 2 68 ARG 68 73 73 ARG ARG H . n 
B 2 69 THR 69 74 74 THR THR H . n 
B 2 70 ARG 70 75 75 ARG ARG H . n 
B 2 71 TYR 71 76 76 TYR TYR H . n 
B 2 72 GLU 72 77 77 GLU GLU H . n 
B 2 73 ARG 73 77 77 ARG ARG H A n 
B 2 74 ASN 74 78 78 ASN ASN H . n 
B 2 75 ILE 75 79 79 ILE ILE H . n 
B 2 76 GLU 76 80 80 GLU GLU H . n 
B 2 77 LYS 77 81 81 LYS LYS H . n 
B 2 78 ILE 78 82 82 ILE ILE H . n 
B 2 79 SER 79 83 83 SER SER H . n 
B 2 80 MET 80 84 84 MET MET H . n 
B 2 81 LEU 81 85 85 LEU LEU H . n 
B 2 82 GLU 82 86 86 GLU GLU H . n 
B 2 83 LYS 83 87 87 LYS LYS H . n 
B 2 84 ILE 84 88 88 ILE ILE H . n 
B 2 85 TYR 85 89 89 TYR TYR H . n 
B 2 86 ILE 86 90 90 ILE ILE H . n 
B 2 87 HIS 87 91 91 HIS HIS H . n 
B 2 88 PRO 88 92 92 PRO PRO H . n 
B 2 89 ARG 89 93 93 ARG ARG H . n 
B 2 90 TYR 90 94 94 TYR TYR H . n 
B 2 91 ASN 91 95 95 ASN ASN H . n 
B 2 92 TRP 92 96 96 TRP TRP H . n 
B 2 93 ARG 93 97 97 ARG ARG H . n 
B 2 94 GLU 94 97 97 GLU GLU H A n 
B 2 95 ASN 95 98 98 ASN ASN H . n 
B 2 96 LEU 96 99 99 LEU LEU H . n 
B 2 97 ASP 97 100 100 ASP ASP H . n 
B 2 98 ARG 98 101 101 ARG ARG H . n 
B 2 99 ASP 99 102 102 ASP ASP H . n 
B 2 100 ILE 100 103 103 ILE ILE H . n 
B 2 101 ALA 101 104 104 ALA ALA H . n 
B 2 102 LEU 102 105 105 LEU LEU H . n 
B 2 103 MET 103 106 106 MET MET H . n 
B 2 104 LYS 104 107 107 LYS LYS H . n 
B 2 105 LEU 105 108 108 LEU LEU H . n 
B 2 106 LYS 106 109 109 LYS LYS H . n 
B 2 107 LYS 107 110 110 LYS LYS H . n 
B 2 108 PRO 108 111 111 PRO PRO H . n 
B 2 109 VAL 109 112 112 VAL VAL H . n 
B 2 110 ALA 110 113 113 ALA ALA H . n 
B 2 111 PHE 111 114 114 PHE PHE H . n 
B 2 112 SER 112 115 115 SER SER H . n 
B 2 113 ASP 113 116 116 ASP ASP H . n 
B 2 114 TYR 114 117 117 TYR TYR H . n 
B 2 115 ILE 115 118 118 ILE ILE H . n 
B 2 116 HIS 116 119 119 HIS HIS H . n 
B 2 117 PRO 117 120 120 PRO PRO H . n 
B 2 118 VAL 118 121 121 VAL VAL H . n 
B 2 119 CYS 119 122 122 CYS CYS H . n 
B 2 120 LEU 120 123 123 LEU LEU H . n 
B 2 121 PRO 121 124 124 PRO PRO H . n 
B 2 122 ASP 122 125 125 ASP ASP H . n 
B 2 123 ARG 123 126 126 ARG ARG H . n 
B 2 124 GLU 124 127 127 GLU GLU H . n 
B 2 125 THR 125 128 128 THR THR H . n 
B 2 126 ALA 126 129 129 ALA ALA H . n 
B 2 127 ALA 127 129 129 ALA ALA H A n 
B 2 128 SER 128 129 129 SER SER H B n 
B 2 129 LEU 129 129 129 LEU LEU H C n 
B 2 130 LEU 130 130 130 LEU LEU H . n 
B 2 131 GLN 131 131 131 GLN GLN H . n 
B 2 132 ALA 132 132 132 ALA ALA H . n 
B 2 133 GLY 133 133 133 GLY GLY H . n 
B 2 134 TYR 134 134 134 TYR TYR H . n 
B 2 135 LYS 135 135 135 LYS LYS H . n 
B 2 136 GLY 136 136 136 GLY GLY H . n 
B 2 137 ARG 137 137 137 ARG ARG H . n 
B 2 138 VAL 138 138 138 VAL VAL H . n 
B 2 139 THR 139 139 139 THR THR H . n 
B 2 140 GLY 140 140 140 GLY GLY H . n 
B 2 141 TRP 141 141 141 TRP TRP H . n 
B 2 142 GLY 142 142 142 GLY GLY H . n 
B 2 143 ASN 143 143 143 ASN ASN H . n 
B 2 144 LEU 144 144 144 LEU LEU H . n 
B 2 145 LYS 145 145 145 LYS LYS H . n 
B 2 146 GLU 146 146 146 GLU GLU H . n 
B 2 147 THR 147 147 147 THR THR H . n 
B 2 148 TRP 148 147 . . . H A n 
B 2 149 THR 149 147 . . . H B n 
B 2 150 ALA 150 147 . . . H C n 
B 2 151 ASN 151 147 . . . H D n 
B 2 152 VAL 152 147 . . . H E n 
B 2 153 GLY 153 147 . . . H F n 
B 2 154 LYS 154 147 . . . H G n 
B 2 155 GLY 155 150 150 GLY GLY H . n 
B 2 156 GLN 156 151 151 GLN GLN H . n 
B 2 157 PRO 157 152 152 PRO PRO H . n 
B 2 158 SER 158 153 153 SER SER H . n 
B 2 159 VAL 159 154 154 VAL VAL H . n 
B 2 160 LEU 160 155 155 LEU LEU H . n 
B 2 161 GLN 161 156 156 GLN GLN H . n 
B 2 162 VAL 162 157 157 VAL VAL H . n 
B 2 163 VAL 163 158 158 VAL VAL H . n 
B 2 164 ASN 164 159 159 ASN ASN H . n 
B 2 165 LEU 165 160 160 LEU LEU H . n 
B 2 166 PRO 166 161 161 PRO PRO H . n 
B 2 167 ILE 167 162 162 ILE ILE H . n 
B 2 168 VAL 168 163 163 VAL VAL H . n 
B 2 169 GLU 169 164 164 GLU GLU H . n 
B 2 170 ARG 170 165 165 ARG ARG H . n 
B 2 171 PRO 171 166 166 PRO PRO H . n 
B 2 172 VAL 172 167 167 VAL VAL H . n 
B 2 173 CYS 173 168 168 CYS CYS H . n 
B 2 174 LYS 174 169 169 LYS LYS H . n 
B 2 175 ASP 175 170 170 ASP ASP H . n 
B 2 176 SER 176 171 171 SER SER H . n 
B 2 177 THR 177 172 172 THR THR H . n 
B 2 178 ARG 178 173 173 ARG ARG H . n 
B 2 179 ILE 179 174 174 ILE ILE H . n 
B 2 180 ARG 180 175 175 ARG ARG H . n 
B 2 181 ILE 181 176 176 ILE ILE H . n 
B 2 182 THR 182 177 177 THR THR H . n 
B 2 183 ASP 183 178 178 ASP ASP H . n 
B 2 184 ASN 184 179 179 ASN ASN H . n 
B 2 185 MET 185 180 180 MET MET H . n 
B 2 186 PHE 186 181 181 PHE PHE H . n 
B 2 187 CYS 187 182 182 CYS CYS H . n 
B 2 188 ALA 188 183 183 ALA ALA H . n 
B 2 189 GLY 189 184 184 GLY GLY H . n 
B 2 190 TYR 190 184 184 TYR TYR H A n 
B 2 191 LYS 191 185 185 LYS LYS H . n 
B 2 192 PRO 192 186 186 PRO PRO H . n 
B 2 193 ASP 193 186 186 ASP ASP H A n 
B 2 194 GLU 194 186 186 GLU GLU H B n 
B 2 195 GLY 195 186 186 GLY GLY H C n 
B 2 196 LYS 196 186 186 LYS LYS H D n 
B 2 197 ARG 197 187 187 ARG ARG H . n 
B 2 198 GLY 198 188 188 GLY GLY H . n 
B 2 199 ASP 199 189 189 ASP ASP H . n 
B 2 200 ALA 200 190 190 ALA ALA H . n 
B 2 201 CYS 201 191 191 CYS CYS H . n 
B 2 202 GLU 202 192 192 GLU GLU H . n 
B 2 203 GLY 203 193 193 GLY GLY H . n 
B 2 204 ASP 204 194 194 ASP ASP H . n 
B 2 205 SER 205 195 195 SER SER H . n 
B 2 206 GLY 206 196 196 GLY GLY H . n 
B 2 207 GLY 207 197 197 GLY GLY H . n 
B 2 208 PRO 208 198 198 PRO PRO H . n 
B 2 209 PHE 209 199 199 PHE PHE H . n 
B 2 210 VAL 210 200 200 VAL VAL H . n 
B 2 211 MET 211 201 201 MET MET H . n 
B 2 212 LYS 212 202 202 LYS LYS H . n 
B 2 213 SER 213 203 203 SER SER H . n 
B 2 214 PRO 214 204 204 PRO PRO H . n 
B 2 215 PHE 215 204 204 PHE PHE H A n 
B 2 216 ASN 216 204 204 ASN ASN H B n 
B 2 217 ASN 217 205 205 ASN ASN H . n 
B 2 218 ARG 218 206 206 ARG ARG H . n 
B 2 219 TRP 219 207 207 TRP TRP H . n 
B 2 220 TYR 220 208 208 TYR TYR H . n 
B 2 221 GLN 221 209 209 GLN GLN H . n 
B 2 222 MET 222 210 210 MET MET H . n 
B 2 223 GLY 223 211 211 GLY GLY H . n 
B 2 224 ILE 224 212 212 ILE ILE H . n 
B 2 225 VAL 225 213 213 VAL VAL H . n 
B 2 226 SER 226 214 214 SER SER H . n 
B 2 227 TRP 227 215 215 TRP TRP H . n 
B 2 228 GLY 228 216 216 GLY GLY H . n 
B 2 229 GLU 229 217 217 GLU GLU H . n 
B 2 230 GLY 230 219 219 GLY GLY H . n 
B 2 231 CYS 231 220 220 CYS CYS H . n 
B 2 232 ASP 232 221 221 ASP ASP H . n 
B 2 233 ARG 233 221 221 ARG ARG H A n 
B 2 234 ASP 234 222 222 ASP ASP H . n 
B 2 235 GLY 235 223 223 GLY GLY H . n 
B 2 236 LYS 236 224 224 LYS LYS H . n 
B 2 237 TYR 237 225 225 TYR TYR H . n 
B 2 238 GLY 238 226 226 GLY GLY H . n 
B 2 239 PHE 239 227 227 PHE PHE H . n 
B 2 240 TYR 240 228 228 TYR TYR H . n 
B 2 241 THR 241 229 229 THR THR H . n 
B 2 242 HIS 242 230 230 HIS HIS H . n 
B 2 243 VAL 243 231 231 VAL VAL H . n 
B 2 244 PHE 244 232 232 PHE PHE H . n 
B 2 245 ARG 245 233 233 ARG ARG H . n 
B 2 246 LEU 246 234 234 LEU LEU H . n 
B 2 247 LYS 247 235 235 LYS LYS H . n 
B 2 248 LYS 248 236 236 LYS LYS H . n 
B 2 249 TRP 249 237 237 TRP TRP H . n 
B 2 250 ILE 250 238 238 ILE ILE H . n 
B 2 251 GLN 251 239 239 GLN GLN H . n 
B 2 252 LYS 252 240 240 LYS LYS H . n 
B 2 253 VAL 253 241 241 VAL VAL H . n 
B 2 254 ILE 254 242 242 ILE ILE H . n 
B 2 255 ASP 255 243 243 ASP ASP H . n 
B 2 256 GLN 256 244 244 GLN GLN H . n 
B 2 257 PHE 257 245 245 PHE PHE H . n 
B 2 258 GLY 258 246 246 GLY GLY H . n 
B 2 259 GLU 259 247 247 GLU GLU H . n 
C 3 1 ASN 1 353 . . . I . n 
C 3 2 GLY 2 354 . . . I . n 
C 3 3 ASP 3 355 355 ASP ASP I . n 
C 3 4 PHE 4 356 356 PHE PHE I . n 
C 3 5 GLU 5 357 357 GLU GLU I . n 
C 3 6 GLU 6 358 358 GLU GLU I . n 
C 3 7 ILE 7 359 359 ILE ILE I . n 
C 3 8 PRO 8 360 360 PRO PRO I . n 
C 3 9 GLU 9 361 361 GLU GLU I . n 
C 3 10 GLU 10 362 362 GLU GLU I . n 
C 3 11 TYS 11 363 363 TYS TYS I . n 
C 3 12 LEU 12 364 364 LEU LEU I . n 
D 4 1 34H 1 1 1 34H 34H J . n 
D 4 2 LEU 2 2 2 LEU LEU J . n 
D 4 3 PRJ 3 3 3 PRJ PRJ J . n 
D 4 4 OAR 4 4 4 OAR OAR J . n 
#
loop_
_pdbx_nonpoly_scheme.asym_id
_pdbx_nonpoly_scheme.entity_id
_pdbx_nonpoly_scheme.mon_id
_pdbx_nonpoly_scheme.pdb_strand_id
_pdbx_nonpoly_scheme.ndb_seq_num
_pdbx_nonpoly_scheme.pdb_seq_num
_pdbx_nonpoly_scheme.auth_seq_num
_pdbx_nonpoly_scheme.pdb_mon_id
_pdbx_nonpoly_scheme.auth_mon_id
_pdbx_nonpoly_scheme.pdb_ins_code
E 5 NA H 1 626 626 NA NA . 
F 6 HOH L 1 471 471 HOH HOH . 
F 6 HOH L 2 487 487 HOH HOH . 
F 6 HOH L 3 493 493 HOH HOH . 
F 6 HOH L 4 495 495 HOH HOH . 
F 6 HOH L 5 499 499 HOH HOH . 
F 6 HOH L 6 507 507 HOH HOH . 
F 6 HOH L 7 508 508 HOH HOH . 
F 6 HOH L 8 510 510 HOH HOH . 
F 6 HOH L 9 517 517 HOH HOH . 
F 6 HOH L 10 519 519 HOH HOH . 
F 6 HOH L 11 520 520 HOH HOH . 
F 6 HOH L 12 525 525 HOH HOH . 
F 6 HOH L 13 528 528 HOH HOH . 
F 6 HOH L 14 533 533 HOH HOH . 
F 6 HOH L 15 542 542 HOH HOH . 
F 6 HOH L 16 543 543 HOH HOH . 
F 6 HOH L 17 549 549 HOH HOH . 
F 6 HOH L 18 558 558 HOH HOH . 
F 6 HOH L 19 563 563 HOH HOH . 
F 6 HOH L 20 565 565 HOH HOH . 
F 6 HOH L 21 567 567 HOH HOH . 
F 6 HOH L 22 570 570 HOH HOH . 
F 6 HOH L 23 573 573 HOH HOH . 
F 6 HOH L 24 575 575 HOH HOH . 
F 6 HOH L 25 577 577 HOH HOH . 
F 6 HOH L 26 585 585 HOH HOH . 
G 6 HOH H 1 450 450 HOH HOH . 
G 6 HOH H 2 451 451 HOH HOH . 
G 6 HOH H 3 452 452 HOH HOH . 
G 6 HOH H 4 453 453 HOH HOH . 
G 6 HOH H 5 454 454 HOH HOH . 
G 6 HOH H 6 455 455 HOH HOH . 
G 6 HOH H 7 456 456 HOH HOH . 
G 6 HOH H 8 457 457 HOH HOH . 
G 6 HOH H 9 458 458 HOH HOH . 
G 6 HOH H 10 459 459 HOH HOH . 
G 6 HOH H 11 460 460 HOH HOH . 
G 6 HOH H 12 461 461 HOH HOH . 
G 6 HOH H 13 463 463 HOH HOH . 
G 6 HOH H 14 464 464 HOH HOH . 
G 6 HOH H 15 465 465 HOH HOH . 
G 6 HOH H 16 466 466 HOH HOH . 
G 6 HOH H 17 467 467 HOH HOH . 
G 6 HOH H 18 468 468 HOH HOH . 
G 6 HOH H 19 469 469 HOH HOH . 
G 6 HOH H 20 470 470 HOH HOH . 
G 6 HOH H 21 472 472 HOH HOH . 
G 6 HOH H 22 473 473 HOH HOH . 
G 6 HOH H 23 474 474 HOH HOH . 
G 6 HOH H 24 475 475 HOH HOH . 
G 6 HOH H 25 476 476 HOH HOH . 
G 6 HOH H 26 477 477 HOH HOH . 
G 6 HOH H 27 478 478 HOH HOH . 
G 6 HOH H 28 479 479 HOH HOH . 
G 6 HOH H 29 480 480 HOH HOH . 
G 6 HOH H 30 481 481 HOH HOH . 
G 6 HOH H 31 482 482 HOH HOH . 
G 6 HOH H 32 483 483 HOH HOH . 
G 6 HOH H 33 484 484 HOH HOH . 
G 6 HOH H 34 485 485 HOH HOH . 
G 6 HOH H 35 486 486 HOH HOH . 
G 6 HOH H 36 488 488 HOH HOH . 
G 6 HOH H 37 489 489 HOH HOH . 
G 6 HOH H 38 490 490 HOH HOH . 
G 6 HOH H 39 492 492 HOH HOH . 
G 6 HOH H 40 496 496 HOH HOH . 
G 6 HOH H 41 497 497 HOH HOH . 
G 6 HOH H 42 498 498 HOH HOH . 
G 6 HOH H 43 500 500 HOH HOH . 
G 6 HOH H 44 501 501 HOH HOH . 
G 6 HOH H 45 502 502 HOH HOH . 
G 6 HOH H 46 503 503 HOH HOH . 
G 6 HOH H 47 504 504 HOH HOH . 
G 6 HOH H 48 505 505 HOH HOH . 
G 6 HOH H 49 506 506 HOH HOH . 
G 6 HOH H 50 511 511 HOH HOH . 
G 6 HOH H 51 512 512 HOH HOH . 
G 6 HOH H 52 513 513 HOH HOH . 
G 6 HOH H 53 514 514 HOH HOH . 
G 6 HOH H 54 515 515 HOH HOH . 
G 6 HOH H 55 516 516 HOH HOH . 
G 6 HOH H 56 518 518 HOH HOH . 
G 6 HOH H 57 521 521 HOH HOH . 
G 6 HOH H 58 522 522 HOH HOH . 
G 6 HOH H 59 523 523 HOH HOH . 
G 6 HOH H 60 524 524 HOH HOH . 
G 6 HOH H 61 526 526 HOH HOH . 
G 6 HOH H 62 527 527 HOH HOH . 
G 6 HOH H 63 529 529 HOH HOH . 
G 6 HOH H 64 530 530 HOH HOH . 
G 6 HOH H 65 531 531 HOH HOH . 
G 6 HOH H 66 532 532 HOH HOH . 
G 6 HOH H 67 534 534 HOH HOH . 
G 6 HOH H 68 535 535 HOH HOH . 
G 6 HOH H 69 536 536 HOH HOH . 
G 6 HOH H 70 538 538 HOH HOH . 
G 6 HOH H 71 539 539 HOH HOH . 
G 6 HOH H 72 540 540 HOH HOH . 
G 6 HOH H 73 541 541 HOH HOH . 
G 6 HOH H 74 544 544 HOH HOH . 
G 6 HOH H 75 545 545 HOH HOH . 
G 6 HOH H 76 546 546 HOH HOH . 
G 6 HOH H 77 547 547 HOH HOH . 
G 6 HOH H 78 550 550 HOH HOH . 
G 6 HOH H 79 551 551 HOH HOH . 
G 6 HOH H 80 552 552 HOH HOH . 
G 6 HOH H 81 554 554 HOH HOH . 
G 6 HOH H 82 555 555 HOH HOH . 
G 6 HOH H 83 556 556 HOH HOH . 
G 6 HOH H 84 557 557 HOH HOH . 
G 6 HOH H 85 559 559 HOH HOH . 
G 6 HOH H 86 560 560 HOH HOH . 
G 6 HOH H 87 561 561 HOH HOH . 
G 6 HOH H 88 562 562 HOH HOH . 
G 6 HOH H 89 564 564 HOH HOH . 
G 6 HOH H 90 566 566 HOH HOH . 
G 6 HOH H 91 568 568 HOH HOH . 
G 6 HOH H 92 569 569 HOH HOH . 
G 6 HOH H 93 571 571 HOH HOH . 
G 6 HOH H 94 572 572 HOH HOH . 
G 6 HOH H 95 574 574 HOH HOH . 
G 6 HOH H 96 576 576 HOH HOH . 
G 6 HOH H 97 578 578 HOH HOH . 
G 6 HOH H 98 579 579 HOH HOH . 
G 6 HOH H 99 580 580 HOH HOH . 
G 6 HOH H 100 581 581 HOH HOH . 
G 6 HOH H 101 582 582 HOH HOH . 
G 6 HOH H 102 583 583 HOH HOH . 
G 6 HOH H 103 584 584 HOH HOH . 
G 6 HOH H 104 586 586 HOH HOH . 
G 6 HOH H 105 587 587 HOH HOH . 
G 6 HOH H 106 588 588 HOH HOH . 
G 6 HOH H 107 589 589 HOH HOH . 
G 6 HOH H 108 590 590 HOH HOH . 
G 6 HOH H 109 593 593 HOH HOH . 
G 6 HOH H 110 594 594 HOH HOH . 
G 6 HOH H 111 595 595 HOH HOH . 
G 6 HOH H 112 596 596 HOH HOH . 
G 6 HOH H 113 597 597 HOH HOH . 
G 6 HOH H 114 598 598 HOH HOH . 
G 6 HOH H 115 599 599 HOH HOH . 
G 6 HOH H 116 600 600 HOH HOH . 
G 6 HOH H 117 601 601 HOH HOH . 
G 6 HOH H 118 602 602 HOH HOH . 
G 6 HOH H 119 603 603 HOH HOH . 
G 6 HOH H 120 604 604 HOH HOH . 
G 6 HOH H 121 605 605 HOH HOH . 
G 6 HOH H 122 606 606 HOH HOH . 
G 6 HOH H 123 607 607 HOH HOH . 
G 6 HOH H 124 608 608 HOH HOH . 
G 6 HOH H 125 609 609 HOH HOH . 
G 6 HOH H 126 610 610 HOH HOH . 
G 6 HOH H 127 611 611 HOH HOH . 
G 6 HOH H 128 613 613 HOH HOH . 
G 6 HOH H 129 615 615 HOH HOH . 
G 6 HOH H 130 616 616 HOH HOH . 
G 6 HOH H 131 617 617 HOH HOH . 
G 6 HOH H 132 618 618 HOH HOH . 
G 6 HOH H 133 619 619 HOH HOH . 
G 6 HOH H 134 620 620 HOH HOH . 
G 6 HOH H 135 621 621 HOH HOH . 
G 6 HOH H 136 622 622 HOH HOH . 
G 6 HOH H 137 623 623 HOH HOH . 
G 6 HOH H 138 625 625 HOH HOH . 
H 6 HOH I 1 491 491 HOH HOH . 
H 6 HOH I 2 509 509 HOH HOH . 
H 6 HOH I 3 537 537 HOH HOH . 
H 6 HOH I 4 548 548 HOH HOH . 
H 6 HOH I 5 553 553 HOH HOH . 
H 6 HOH I 6 614 614 HOH HOH . 
I 6 HOH J 1 462 462 HOH HOH . 
I 6 HOH J 2 494 494 HOH HOH . 
I 6 HOH J 3 591 591 HOH HOH . 
I 6 HOH J 4 592 592 HOH HOH . 
I 6 HOH J 5 612 612 HOH HOH . 
I 6 HOH J 6 624 624 HOH HOH . 
#
_pdbx_molecule_features.prd_id     PRD_000555 
_pdbx_molecule_features.class      'thrombin inhibitor, trypsin inhibitor' 
_pdbx_molecule_features.type       oligopeptide 
_pdbx_molecule_features.name       'AERUGINOSIN 298-A' 
_pdbx_molecule_features.details    ? 
#
_pdbx_molecule.prd_id         PRD_000555 
_pdbx_molecule.instance_id    1 
_pdbx_molecule.asym_id        D 
#
loop_
_pdbx_struct_mod_residue.id
_pdbx_struct_mod_residue.auth_asym_id
_pdbx_struct_mod_residue.auth_comp_id
_pdbx_struct_mod_residue.auth_seq_id
_pdbx_struct_mod_residue.PDB_ins_code
_pdbx_struct_mod_residue.label_asym_id
_pdbx_struct_mod_residue.label_comp_id
_pdbx_struct_mod_residue.label_seq_id
_pdbx_struct_mod_residue.parent_comp_id
_pdbx_struct_mod_residue.details
1 I TYS 363 ? C TYS 11 TYR O-SULFO-L-TYROSINE 
2 J PRJ 3 ? D PRJ 3 PRO ? 
3 J OAR 4 ? D OAR 4 ARG N-(4-AMINO-5-HYDROXY-PENTYL)-GUANIDINE 
#
_pdbx_struct_assembly.method_details        ? 
_pdbx_struct_assembly.oligomeric_details    tetrameric 
_pdbx_struct_assembly.oligomeric_count      4 
_pdbx_struct_assembly.details               author_defined_assembly 
_pdbx_struct_assembly.id                    1 
#
_pdbx_struct_assembly_gen.asym_id_list       A,B,C,D,E,F,G,H,I 
_pdbx_struct_assembly_gen.assembly_id        1 
_pdbx_struct_assembly_gen.oper_expression    1 
#
_pdbx_struct_oper_list.id                    1 
_pdbx_struct_oper_list.type                  'identity operation' 
_pdbx_struct_oper_list.name                  1_555 
_pdbx_struct_oper_list.symmetry_operation    x,y,z 
_pdbx_struct_oper_list.matrix[1][1]          1 
_pdbx_struct_oper_list.matrix[1][2]          0 
_pdbx_struct_oper_list.matrix[1][3]          0 
_pdbx_struct_oper_list.matrix[2][1]          0 
_pdbx_struct_oper_list.matrix[2][2]          1 
_pdbx_struct_oper_list.matrix[2][3]          0 
_pdbx_struct_oper_list.matrix[3][1]          0 
_pdbx_struct_oper_list.matrix[3][2]          0 
_pdbx_struct_oper_list.matrix[3][3]          1 
_pdbx_struct_oper_list.vector[1]             0 
_pdbx_struct_oper_list.vector[2]             0 
_pdbx_struct_oper_list.vector[3]             0 
#
loop_
_pdbx_struct_conn_angle.id
_pdbx_struct_conn_angle.ptnr1_label_atom_id
_pdbx_struct_conn_angle.ptnr1_label_alt_id
_pdbx_struct_conn_angle.ptnr1_label_asym_id
_pdbx_struct_conn_angle.ptnr1_label_comp_id
_pdbx_struct_conn_angle.ptnr1_label_seq_id
_pdbx_struct_conn_angle.ptnr1_auth_atom_id
_pdbx_struct_conn_angle.ptnr1_auth_asym_id
_pdbx_struct_conn_angle.ptnr1_auth_comp_id
_pdbx_struct_conn_angle.ptnr1_auth_seq_id
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code
_pdbx_struct_conn_angle.ptnr1_symmetry
_pdbx_struct_conn_angle.ptnr2_label_atom_id
_pdbx_struct_conn_angle.ptnr2_label_alt_id
_pdbx_struct_conn_angle.ptnr2_label_asym_id
_pdbx_struct_conn_angle.ptnr2_label_comp_id
_pdbx_struct_conn_angle.ptnr2_label_seq_id
_pdbx_struct_conn_angle.ptnr2_auth_atom_id
_pdbx_struct_conn_angle.ptnr2_auth_asym_id
_pdbx_struct_conn_angle.ptnr2_auth_comp_id
_pdbx_struct_conn_angle.ptnr2_auth_seq_id
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code
_pdbx_struct_conn_angle.ptnr2_symmetry
_pdbx_struct_conn_angle.ptnr3_label_atom_id
_pdbx_struct_conn_angle.ptnr3_label_alt_id
_pdbx_struct_conn_angle.ptnr3_label_asym_id
_pdbx_struct_conn_angle.ptnr3_label_comp_id
_pdbx_struct_conn_angle.ptnr3_label_seq_id
_pdbx_struct_conn_angle.ptnr3_auth_atom_id
_pdbx_struct_conn_angle.ptnr3_auth_asym_id
_pdbx_struct_conn_angle.ptnr3_auth_comp_id
_pdbx_struct_conn_angle.ptnr3_auth_seq_id
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code
_pdbx_struct_conn_angle.ptnr3_symmetry
_pdbx_struct_conn_angle.value
_pdbx_struct_conn_angle.value_esd
1 O . B LYS 236 . H LYS 224 . 1_555 NA . E NA . . H NA 626 . 1_555 O . B ARG 233 . H ARG 221 A 1_555 90.2 . 
2 O . B LYS 236 . H LYS 224 . 1_555 NA . E NA . . H NA 626 . 1_555 O . G HOH . . H HOH 503 . 1_555 73.7 . 
3 O . B ARG 233 . H ARG 221 A 1_555 NA . E NA . . H NA 626 . 1_555 O . G HOH . . H HOH 503 . 1_555 132.20000000000002 . 
#
loop_
_pdbx_audit_revision_history.ordinal
_pdbx_audit_revision_history.data_content_type
_pdbx_audit_revision_history.major_revision
_pdbx_audit_revision_history.minor_revision
_pdbx_audit_revision_history.revision_date
1 'Structure model' 1 0 1998-07-01 
2 'Structure model' 1 1 2008-03-24 
3 'Structure model' 1 2 2011-07-13 
4 'Structure model' 1 3 2012-12-12 
5 'Structure model' 1 4 2013-06-05 
#
_pdbx_audit_revision_details.ordinal              1 
_pdbx_audit_revision_details.revision_ordinal     1 
_pdbx_audit_revision_details.data_content_type    'Structure model' 
_pdbx_audit_revision_details.provider             repository 
_pdbx_audit_revision_details.type                 'Initial release' 
_pdbx_audit_revision_details.description          . 
#
loop_
_pdbx_audit_revision_group.ordinal
_pdbx_audit_revision_group.revision_ordinal
_pdbx_audit_revision_group.data_content_type
_pdbx_audit_revision_group.group
1 2 'Structure model' 'Version format compliance' 
2 3 'Structure model' 'Atomic model' 
3 3 'Structure model' 'Database references' 
4 3 'Structure model' 'Derived calculations' 
5 3 'Structure model' 'Non-polymer description' 
6 3 'Structure model' 'Structure summary' 
7 3 'Structure model' 'Version format compliance' 
8 4 'Structure model' Other 
9 5 'Structure model' 'Atomic model' 
#
loop_
_software.classification
_software.date
_software.description
_software.name
_software.type
_software.version
_software.pdbx_ordinal
'data collection' . . RIGAKU . . 1 
'data reduction' . . RIGAKU . . 2 
'model building' . . X-PLOR . . 3 
refinement . . PROLSQ . . 4 
refinement . . X-PLOR . . 5 
'data scaling' . . RIGAKU . . 6 
phasing . . X-PLOR . . 7 
#
_pdbx_entry_details.entry_id              1A2C 
_pdbx_entry_details.compound_details      
;THROMBIN IS CLEAVED BETWEEN RESIDUES 15 AND 16.  CHAIN
IDENTIFIER *L* IS USED FOR RESIDUES 1H - 15 AND CHAIN
IDENTIFIER *H* IS USED FOR RESIDUES 16 - 247.  RESIDUES
355 - 364 REPRESENT THE HIRUGEN AND HAVE BEEN ASSIGNED
CHAIN IDENTIFIER *I*. THE HIRUGEN RESIDUE NUMBERING
CORRESPONDS TO THE C-TERMINAL RESIDUES OF HIRUDIN.
;
_pdbx_entry_details.source_details        . 
_pdbx_entry_details.nonpolymer_details    . 
_pdbx_entry_details.sequence_details      . 
#
loop_
_pdbx_validate_close_contact.id
_pdbx_validate_close_contact.PDB_model_num
_pdbx_validate_close_contact.auth_atom_id_1
_pdbx_validate_close_contact.auth_asym_id_1
_pdbx_validate_close_contact.auth_comp_id_1
_pdbx_validate_close_contact.auth_seq_id_1
_pdbx_validate_close_contact.PDB_ins_code_1
_pdbx_validate_close_contact.label_alt_id_1
_pdbx_validate_close_contact.auth_atom_id_2
_pdbx_validate_close_contact.auth_asym_id_2
_pdbx_validate_close_contact.auth_comp_id_2
_pdbx_validate_close_contact.auth_seq_id_2
_pdbx_validate_close_contact.PDB_ins_code_2
_pdbx_validate_close_contact.label_alt_id_2
_pdbx_validate_close_contact.dist
1 1 O H PRO 124 . . NZ H LYS 235 . . 2.09 
2 1 N H GLY 219 . . O4 J 34H 1 . . 2.13 
3 1 ND2 H ASN 98 . . O H ARG 175 . . 2.18 
4 1 OE1 H GLN 30 . . OG1 H THR 139 . . 2.18 
#
loop_
_pdbx_validate_symm_contact.id
_pdbx_validate_symm_contact.PDB_model_num
_pdbx_validate_symm_contact.auth_atom_id_1
_pdbx_validate_symm_contact.auth_asym_id_1
_pdbx_validate_symm_contact.auth_comp_id_1
_pdbx_validate_symm_contact.auth_seq_id_1
_pdbx_validate_symm_contact.PDB_ins_code_1
_pdbx_validate_symm_contact.label_alt_id_1
_pdbx_validate_symm_contact.site_symmetry_1
_pdbx_validate_symm_contact.auth_atom_id_2
_pdbx_validate_symm_contact.auth_asym_id_2
_pdbx_validate_symm_contact.auth_comp_id_2
_pdbx_validate_symm_contact.auth_seq_id_2
_pdbx_validate_symm_contact.PDB_ins_code_2
_pdbx_validate_symm_contact.label_alt_id_2
_pdbx_validate_symm_contact.site_symmetry_2
_pdbx_validate_symm_contact.dist
1 1 C L ASP 14 L . 1_555 NH2 H ARG 173 . . 4_556 1.86 
2 1 O L ASP 14 L . 1_555 NH2 H ARG 173 . . 4_556 2.09 
#
loop_
_pdbx_validate_rmsd_bond.id
_pdbx_validate_rmsd_bond.PDB_model_num
_pdbx_validate_rmsd_bond.auth_atom_id_1
_pdbx_validate_rmsd_bond.auth_asym_id_1
_pdbx_validate_rmsd_bond.auth_comp_id_1
_pdbx_validate_rmsd_bond.auth_seq_id_1
_pdbx_validate_rmsd_bond.PDB_ins_code_1
_pdbx_validate_rmsd_bond.label_alt_id_1
_pdbx_validate_rmsd_bond.auth_atom_id_2
_pdbx_validate_rmsd_bond.auth_asym_id_2
_pdbx_validate_rmsd_bond.auth_comp_id_2
_pdbx_validate_rmsd_bond.auth_seq_id_2
_pdbx_validate_rmsd_bond.PDB_ins_code_2
_pdbx_validate_rmsd_bond.label_alt_id_2
_pdbx_validate_rmsd_bond.bond_value
_pdbx_validate_rmsd_bond.bond_target_value
_pdbx_validate_rmsd_bond.bond_deviation
_pdbx_validate_rmsd_bond.bond_standard_deviation
_pdbx_validate_rmsd_bond.linker_flag
1 1 C L TYR 14 J . N L ILE 14 K . 1.124 1.336 -0.212 0.023 Y 
2 1 C H GLY 216 . . N H GLU 217 . . 1.493 1.336 0.157 0.023 Y 
#
loop_
_pdbx_validate_rmsd_angle.id
_pdbx_validate_rmsd_angle.PDB_model_num
_pdbx_validate_rmsd_angle.auth_atom_id_1
_pdbx_validate_rmsd_angle.auth_asym_id_1
_pdbx_validate_rmsd_angle.auth_comp_id_1
_pdbx_validate_rmsd_angle.auth_seq_id_1
_pdbx_validate_rmsd_angle.PDB_ins_code_1
_pdbx_validate_rmsd_angle.label_alt_id_1
_pdbx_validate_rmsd_angle.auth_atom_id_2
_pdbx_validate_rmsd_angle.auth_asym_id_2
_pdbx_validate_rmsd_angle.auth_comp_id_2
_pdbx_validate_rmsd_angle.auth_seq_id_2
_pdbx_validate_rmsd_angle.PDB_ins_code_2
_pdbx_validate_rmsd_angle.label_alt_id_2
_pdbx_validate_rmsd_angle.auth_atom_id_3
_pdbx_validate_rmsd_angle.auth_asym_id_3
_pdbx_validate_rmsd_angle.auth_comp_id_3
_pdbx_validate_rmsd_angle.auth_seq_id_3
_pdbx_validate_rmsd_angle.PDB_ins_code_3
_pdbx_validate_rmsd_angle.label_alt_id_3
_pdbx_validate_rmsd_angle.angle_value
_pdbx_validate_rmsd_angle.angle_target_value
_pdbx_validate_rmsd_angle.angle_deviation
_pdbx_validate_rmsd_angle.angle_standard_deviation
_pdbx_validate_rmsd_angle.linker_flag
1 1 CB L ASP 1 A . CG L ASP 1 A . OD1 L ASP 1 A . 107.02 118.30000000000001 -11.28 0.9 N 
2 1 CB L ASP 1 A . CG L ASP 1 A . OD2 L ASP 1 A . 128.67000000000002 118.30000000000001 10.370000000000001 0.9 N 
3 1 NH1 L ARG 4 . . CZ L ARG 4 . . NH2 L ARG 4 . . 110.85000000000001 119.4 -8.55 1.1 N 
4 1 NE L ARG 4 . . CZ L ARG 4 . . NH2 L ARG 4 . . 125.76 120.30000000000001 5.46 0.5 N 
5 1 O L LYS 10 . . C L LYS 10 . . N L SER 11 . . 134.44 122.7 11.74 1.6 Y 
6 1 CB L GLU 13 . . CA L GLU 13 . . C L GLU 13 . . 96.9 110.4 -13.5 2 N 
7 1 CB L ASP 14 . . CG L ASP 14 . . OD1 L ASP 14 . . 109.2 118.30000000000001 -9.1 0.9 N 
8 1 CB L ASP 14 . . CG L ASP 14 . . OD2 L ASP 14 . . 126.05 118.30000000000001 7.75 0.9 N 
9 1 NE L ARG 14 D . CZ L ARG 14 D . NH2 L ARG 14 D . 124.07000000000001 120.30000000000001 3.77 0.5 N 
10 1 CA L TYR 14 J . C L TYR 14 J . N L ILE 14 K . 102.22 117.2 -14.98 2.2 Y 
11 1 C H ILE 24 . . N H GLY 25 . . CA H GLY 25 . . 137.64000000000001 122.30000000000001 15.34 2.1 Y 
12 1 N H SER 27 . . CA H SER 27 . . CB H SER 27 . . 101.23 110.5 -9.27 1.5 N 
13 1 CA H GLN 30 . . CB H GLN 30 . . CG H GLN 30 . . 127.62 113.4 14.22 2.2 N 
14 1 N H LEU 33 . . CA H LEU 33 . . CB H LEU 33 . . 97.3 110.4 -13.1 2 N 
15 1 O H GLN 38 . . C H GLN 38 . . N H GLU 39 . . 133.19 122.7 10.49 1.6 Y 
16 1 CB H ASP 49 . . CG H ASP 49 . . OD1 H ASP 49 . . 110.33 118.30000000000001 -7.97 0.9 N 
17 1 CB H ASP 49 . . CG H ASP 49 . . OD2 H ASP 49 . . 124.92 118.30000000000001 6.62 0.9 N 
18 1 CA H TYR 60 A . CB H TYR 60 A . CG H TYR 60 A . 101.38 113.4 -12.02 1.9000000000000001 N 
19 1 N H ASP 60 E . CA H ASP 60 E . CB H ASP 60 E . 99.65 110.60000000000001 -10.950000000000001 1.8 N 
20 1 CB H ASP 60 E . CG H ASP 60 E . OD1 H ASP 60 E . 110.51 118.30000000000001 -7.79 0.9 N 
21 1 O H ASP 63 . . C H ASP 63 . . N H LEU 64 . . 132.51 122.7 9.81 1.6 Y 
22 1 NH1 H ARG 73 . . CZ H ARG 73 . . NH2 H ARG 73 . . 109.56 119.4 -9.84 1.1 N 
23 1 NE H ARG 73 . . CZ H ARG 73 . . NH1 H ARG 73 . . 124.76 120.30000000000001 4.46 0.5 N 
24 1 NE H ARG 73 . . CZ H ARG 73 . . NH2 H ARG 73 . . 125.33 120.30000000000001 5.03 0.5 N 
25 1 NE H ARG 75 . . CZ H ARG 75 . . NH2 H ARG 75 . . 124.15 120.30000000000001 3.85 0.5 N 
26 1 NE H ARG 77 A . CZ H ARG 77 A . NH1 H ARG 77 A . 117.23 120.30000000000001 -3.0700000000000003 0.5 N 
27 1 CA H ARG 77 A . C H ARG 77 A . O H ARG 77 A . 106.82000000000001 120.10000000000001 -13.280000000000001 2.1 N 
28 1 CB H TYR 94 . . CG H TYR 94 . . CD2 H TYR 94 . . 116.9 121 -4.1 0.6000000000000001 N 
29 1 CD H ARG 97 . . NE H ARG 97 . . CZ H ARG 97 . . 112.43 123.60000000000001 -11.17 1.4000000000000001 N 
30 1 NE H ARG 97 . . CZ H ARG 97 . . NH1 H ARG 97 . . 114.27 120.30000000000001 -6.03 0.5 N 
31 1 NE H ARG 97 . . CZ H ARG 97 . . NH2 H ARG 97 . . 127.11 120.30000000000001 6.8100000000000005 0.5 N 
32 1 NE H ARG 101 . . CZ H ARG 101 . . NH2 H ARG 101 . . 113.97 120.30000000000001 -6.33 0.5 N 
33 1 CA H LEU 123 . . CB H LEU 123 . . CG H LEU 123 . . 132.15 115.30000000000001 16.85 2.3000000000000003 N 
34 1 CB H ASP 125 . . CG H ASP 125 . . OD2 H ASP 125 . . 124.76 118.30000000000001 6.46 0.9 N 
35 1 CG H ARG 126 . . CD H ARG 126 . . NE H ARG 126 . . 124.5 111.80000000000001 12.700000000000001 2.1 N 
36 1 NH1 H ARG 126 . . CZ H ARG 126 . . NH2 H ARG 126 . . 112.49000000000001 119.4 -6.91 1.1 N 
37 1 NE H ARG 126 . . CZ H ARG 126 . . NH2 H ARG 126 . . 128.36 120.30000000000001 8.06 0.5 N 
38 1 O H ALA 132 . . C H ALA 132 . . N H GLY 133 . . 135.24 123.2 12.040000000000001 1.7000000000000002 Y 
39 1 NE H ARG 137 . . CZ H ARG 137 . . NH1 H ARG 137 . . 114.87 120.30000000000001 -5.43 0.5 N 
40 1 NE H ARG 137 . . CZ H ARG 137 . . NH2 H ARG 137 . . 124.71000000000001 120.30000000000001 4.41 0.5 N 
41 1 CA H ARG 137 . . C H ARG 137 . . O H ARG 137 . . 106.37 120.10000000000001 -13.73 2.1 N 
42 1 O H ARG 137 . . C H ARG 137 . . N H VAL 138 . . 134.58 122.7 11.88 1.6 Y 
43 1 O H TRP 141 . . C H TRP 141 . . N H GLY 142 . . 109.3 123.2 -13.9 1.7000000000000002 Y 
44 1 CA H GLY 142 . . C H GLY 142 . . O H GLY 142 . . 131.4 120.60000000000001 10.8 1.8 N 
45 1 O H ASN 143 . . C H ASN 143 . . N H LEU 144 . . 133.62 122.7 10.92 1.6 Y 
46 1 N H LYS 145 . . CA H LYS 145 . . CB H LYS 145 . . 121.74000000000001 110.60000000000001 11.14 1.8 N 
47 1 OE1 H GLU 146 . . CD H GLU 146 . . OE2 H GLU 146 . . 136.33 123.30000000000001 13.030000000000001 1.2000000000000002 N 
48 1 CA H ARG 165 . . CB H ARG 165 . . CG H ARG 165 . . 131.36 113.4 17.96 2.2 N 
49 1 CD H ARG 165 . . NE H ARG 165 . . CZ H ARG 165 . . 115.07000000000001 123.60000000000001 -8.53 1.4000000000000001 N 
50 1 CD H ARG 173 . . NE H ARG 173 . . CZ H ARG 173 . . 113.89 123.60000000000001 -9.71 1.4000000000000001 N 
51 1 NE H ARG 173 . . CZ H ARG 173 . . NH1 H ARG 173 . . 117.06 120.30000000000001 -3.24 0.5 N 
52 1 NE H ARG 173 . . CZ H ARG 173 . . NH2 H ARG 173 . . 125.71000000000001 120.30000000000001 5.41 0.5 N 
53 1 CA H ILE 176 . . CB H ILE 176 . . CG2 H ILE 176 . . 125.69 110.9 14.790000000000001 2 N 
54 1 CG H GLU 186 B . CD H GLU 186 B . OE1 H GLU 186 B . 105.09 118.30000000000001 -13.21 2 N 
55 1 CG H GLU 186 B . CD H GLU 186 B . OE2 H GLU 186 B . 132.45 118.30000000000001 14.15 2 N 
56 1 CB H ASP 194 . . CG H ASP 194 . . OD1 H ASP 194 . . 107.41 118.30000000000001 -10.89 0.9 N 
57 1 CB H ASP 194 . . CG H ASP 194 . . OD2 H ASP 194 . . 127.43 118.30000000000001 9.13 0.9 N 
58 1 O H PHE 199 . . C H PHE 199 . . N H VAL 200 . . 112.71000000000001 122.7 -9.99 1.6 Y 
59 1 CA H VAL 200 . . CB H VAL 200 . . CG1 H VAL 200 . . 121.9 110.9 11 1.5 N 
60 1 CA H MET 201 . . CB H MET 201 . . CG H MET 201 . . 101.89 113.30000000000001 -11.41 1.7000000000000002 N 
61 1 NE H ARG 206 . . CZ H ARG 206 . . NH1 H ARG 206 . . 129.57 120.30000000000001 9.27 0.5 N 
62 1 NE H ARG 206 . . CZ H ARG 206 . . NH2 H ARG 206 . . 112.82000000000001 120.30000000000001 -7.48 0.5 N 
63 1 CA H MET 210 . . CB H MET 210 . . CG H MET 210 . . 102.97 113.30000000000001 -10.33 1.7000000000000002 N 
64 1 CG H MET 210 . . SD H MET 210 . . CE H MET 210 . . 90.43 100.2 -9.77 1.6 N 
65 1 NE H ARG 221 A . CZ H ARG 221 A . NH1 H ARG 221 A . 115.61 120.30000000000001 -4.69 0.5 N 
66 1 CD H ARG 233 . . NE H ARG 233 . . CZ H ARG 233 . . 137.78 123.60000000000001 14.18 1.4000000000000001 N 
67 1 CB H ASP 243 . . CG H ASP 243 . . OD1 H ASP 243 . . 129.34 118.30000000000001 11.040000000000001 0.9 N 
68 1 CB I GLU 362 . . CG I GLU 362 . . CD I GLU 362 . . 131.23 114.2 17.03 2.7 N 
69 1 CB J LEU 2 . . CA J LEU 2 . . C J LEU 2 . . 125.24000000000001 110.2 15.040000000000001 1.9000000000000001 N 
#
loop_
_pdbx_validate_torsion.id
_pdbx_validate_torsion.PDB_model_num
_pdbx_validate_torsion.auth_comp_id
_pdbx_validate_torsion.auth_asym_id
_pdbx_validate_torsion.auth_seq_id
_pdbx_validate_torsion.PDB_ins_code
_pdbx_validate_torsion.label_alt_id
_pdbx_validate_torsion.phi
_pdbx_validate_torsion.psi
1 1 PHE L 1 G . -67.84 -141.19 
2 1 SER L 1 E . 33.89 83.5 
3 1 GLU L 1 C . -71.21000000000001 -148.66 
4 1 ALA L 1 B . -101.5 -60.15 
5 1 PHE L 7 . . -134.21 -74.75 
6 1 TYR L 14 J . -76.29 39.46 
7 1 ILE L 14 K . 29.060000000000002 48.63 
8 1 ALA H 44 . . 169.17000000000002 164.93 
9 1 SER H 48 . . -179.01 -174.88 
10 1 TYR H 60 A . -161.19 77.26 
11 1 ASN H 60 G . -150.45000000000002 70.72 
12 1 HIS H 71 . . -136.76 -50.620000000000005 
13 1 GLU H 97 A . -116.28 -71.84 
14 1 SER H 115 . . -167.52 -168.11 
15 1 ARG H 126 . . -34.81 -33.96 
16 1 ASP H 170 . . -59.15 -8 
17 1 GLU H 192 . . -37.9 154.53 
18 1 ASN H 205 . . 57.370000000000005 8.51 
19 1 SER H 214 . . -109.63 -69.67 
20 1 PHE H 245 . . -161.02 31 
#
loop_
_pdbx_validate_main_chain_plane.id
_pdbx_validate_main_chain_plane.PDB_model_num
_pdbx_validate_main_chain_plane.auth_comp_id
_pdbx_validate_main_chain_plane.auth_asym_id
_pdbx_validate_main_chain_plane.auth_seq_id
_pdbx_validate_main_chain_plane.PDB_ins_code
_pdbx_validate_main_chain_plane.label_alt_id
_pdbx_validate_main_chain_plane.improper_torsion_angle
1 1 LEU L 3 . . 13.6 
2 1 PRO L 5 . . -10.75 
3 1 ARG L 14 D . 13.1 
4 1 TRP H 29 . . -11.15 
5 1 GLY H 43 . . -11.450000000000001 
6 1 ALA H 44 . . 10.540000000000001 
7 1 ILE H 47 . . -11.92 
8 1 PRO H 60 C . 13.09 
9 1 TRP H 60 D . 14.92 
10 1 LEU H 65 . . -13.48 
11 1 SER H 72 . . -11.05 
12 1 ILE H 79 . . -10.71 
13 1 LEU H 99 . . 10.25 
14 1 LYS H 107 . . 10 
15 1 TYR H 134 . . -14.86 
16 1 TRP H 141 . . 17.48 
17 1 GLN H 151 . . 10.15 
18 1 GLU H 164 . . 11.82 
19 1 THR H 172 . . -12.63 
20 1 GLU H 192 . . -11.620000000000001 
21 1 GLY H 196 . . -12.790000000000001 
22 1 GLY H 197 . . -11.27 
23 1 ILE H 212 . . 15.57 
#
_pdbx_validate_planes.id               1 
_pdbx_validate_planes.PDB_model_num    1 
_pdbx_validate_planes.auth_comp_id     ARG 
_pdbx_validate_planes.auth_asym_id     H 
_pdbx_validate_planes.auth_seq_id      75 
_pdbx_validate_planes.PDB_ins_code     . 
_pdbx_validate_planes.label_alt_id     . 
_pdbx_validate_planes.rmsd             0.079 
_pdbx_validate_planes.type             'SIDE CHAIN' 
#
loop_
_pdbx_validate_polymer_linkage.id
_pdbx_validate_polymer_linkage.PDB_model_num
_pdbx_validate_polymer_linkage.auth_atom_id_1
_pdbx_validate_polymer_linkage.auth_asym_id_1
_pdbx_validate_polymer_linkage.auth_comp_id_1
_pdbx_validate_polymer_linkage.auth_seq_id_1
_pdbx_validate_polymer_linkage.PDB_ins_code_1
_pdbx_validate_polymer_linkage.label_alt_id_1
_pdbx_validate_polymer_linkage.auth_atom_id_2
_pdbx_validate_polymer_linkage.auth_asym_id_2
_pdbx_validate_polymer_linkage.auth_comp_id_2
_pdbx_validate_polymer_linkage.auth_seq_id_2
_pdbx_validate_polymer_linkage.PDB_ins_code_2
_pdbx_validate_polymer_linkage.label_alt_id_2
_pdbx_validate_polymer_linkage.dist
1 1 C L TYR 14 J . N L ILE 14 K . 1.12 
2 1 C L ASP 14 L . N L GLY 14 M . 1.74 
#
loop_
_pdbx_unobs_or_zero_occ_atoms.id
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num
_pdbx_unobs_or_zero_occ_atoms.polymer_flag
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id
_pdbx_unobs_or_zero_occ_atoms.label_alt_id
_pdbx_unobs_or_zero_occ_atoms.label_asym_id
_pdbx_unobs_or_zero_occ_atoms.label_comp_id
_pdbx_unobs_or_zero_occ_atoms.label_seq_id
_pdbx_unobs_or_zero_occ_atoms.label_atom_id
1 1 Y 1 L ARG 15 . CG . A ARG 36 CG 
2 1 Y 1 L ARG 15 . CD . A ARG 36 CD 
3 1 Y 1 L ARG 15 . NE . A ARG 36 NE 
4 1 Y 1 L ARG 15 . CZ . A ARG 36 CZ 
5 1 Y 1 L ARG 15 . NH1 . A ARG 36 NH1 
6 1 Y 1 L ARG 15 . NH2 . A ARG 36 NH2 
7 1 Y 1 I GLU 361 . CB . C GLU 9 CB 
8 1 Y 1 I GLU 361 . CG . C GLU 9 CG 
9 1 Y 1 I GLU 361 . CD . C GLU 9 CD 
10 1 Y 1 I GLU 361 . OE1 . C GLU 9 OE1 
11 1 Y 1 I GLU 361 . OE2 . C GLU 9 OE2 
#
loop_
_pdbx_unobs_or_zero_occ_residues.id
_pdbx_unobs_or_zero_occ_residues.polymer_flag
_pdbx_unobs_or_zero_occ_residues.occupancy_flag
_pdbx_unobs_or_zero_occ_residues.PDB_model_num
_pdbx_unobs_or_zero_occ_residues.auth_asym_id
_pdbx_unobs_or_zero_occ_residues.auth_comp_id
_pdbx_unobs_or_zero_occ_residues.auth_seq_id
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code
_pdbx_unobs_or_zero_occ_residues.label_asym_id
_pdbx_unobs_or_zero_occ_residues.label_comp_id
_pdbx_unobs_or_zero_occ_residues.label_seq_id
1 y 1 1 H TRP 147 A B TRP 148 
2 y 1 1 H THR 147 B B THR 149 
3 y 1 1 H ALA 147 C B ALA 150 
4 y 1 1 H ASN 147 D B ASN 151 
5 y 1 1 H VAL 147 E B VAL 152 
6 y 1 1 H GLY 147 F B GLY 153 
7 y 1 1 H LYS 147 G B LYS 154 
8 y 1 1 I ASN 353 ? C ASN 1 
9 y 1 1 I GLY 354 ? C GLY 2 
#
loop_
_pdbx_entity_nonpoly.entity_id
_pdbx_entity_nonpoly.comp_id
_pdbx_entity_nonpoly.name
5 NA 'SODIUM ION' 
6 HOH water 
#
_model_server_stats.io_time_ms              5 
_model_server_stats.parse_time_ms           69 
_model_server_stats.create_model_time_ms    12 
_model_server_stats.query_time_ms           232 
_model_server_stats.encode_time_ms          70 
_model_server_stats.element_count           2629 
#
