data_5EN2 # _entry.id 5EN2 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.285 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5EN2 WWPDB D_1000215113 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5EN2 _pdbx_database_status.recvd_initial_deposition_date 2015-11-09 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _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 'Mahmutovic, S.' 1 'Clark, L.' 2 'Levis, S.' 3 'Briggiler, A.' 4 'Enria, D.' 5 'Harrison, S.C.' 6 'Abraham, J.' 7 # _citation.abstract ? _citation.abstract_id_CAS ? _citation.book_id_ISBN ? _citation.book_publisher ? _citation.book_publisher_city ? _citation.book_title ? _citation.coordinate_linkage ? _citation.country US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'Cell Host Microbe' _citation.journal_id_ASTM ? _citation.journal_id_CSD ? _citation.journal_id_ISSN 1934-6069 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 18 _citation.language ? _citation.page_first 705 _citation.page_last 713 _citation.title 'Molecular Basis for Antibody-Mediated Neutralization of New World Hemorrhagic Fever Mammarenaviruses.' _citation.year 2015 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1016/j.chom.2015.11.005 _citation.pdbx_database_id_PubMed 26651946 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Mahmutovic, S.' 1 primary 'Clark, L.' 2 primary 'Levis, S.C.' 3 primary 'Briggiler, A.M.' 4 primary 'Enria, D.A.' 5 primary 'Harrison, S.C.' 6 primary 'Abraham, J.' 7 # _cell.angle_alpha 90.000 _cell.angle_alpha_esd ? _cell.angle_beta 90.000 _cell.angle_beta_esd ? _cell.angle_gamma 90.000 _cell.angle_gamma_esd ? _cell.entry_id 5EN2 _cell.details ? _cell.formula_units_Z ? _cell.length_a 52.110 _cell.length_a_esd ? _cell.length_b 74.790 _cell.length_b_esd ? _cell.length_c 177.640 _cell.length_c_esd ? _cell.volume ? _cell.volume_esd ? _cell.Z_PDB 4 _cell.reciprocal_angle_alpha ? _cell.reciprocal_angle_beta ? _cell.reciprocal_angle_gamma ? _cell.reciprocal_angle_alpha_esd ? _cell.reciprocal_angle_beta_esd ? _cell.reciprocal_angle_gamma_esd ? _cell.reciprocal_length_a ? _cell.reciprocal_length_b ? _cell.reciprocal_length_c ? _cell.reciprocal_length_a_esd ? _cell.reciprocal_length_b_esd ? _cell.reciprocal_length_c_esd ? _cell.pdbx_unique_axis ? # _symmetry.entry_id 5EN2 _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall ? _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'GD01 heavy chain' 24167.051 1 ? ? ? ? 2 polymer man 'GD01 light chain' 23459.918 1 ? ? ? ? 3 polymer man 'Pre-glycoprotein polyprotein GP complex' 16312.702 1 ? ? ? ? 4 non-polymer man 'CHLORIDE ION' 35.453 1 ? ? ? ? 5 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 6 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 7 non-polymer man ALPHA-D-MANNOSE 180.156 4 ? ? ? ? 8 water nat water 18.015 886 ? ? ? ? # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;EVKLQQSGAELARPGTSVKLSCKASGYTFTNYWMQWIKQRPGQGLEWIGAVYPGDGDTRFSQKFKGKATLTADKSSSTAY MQLSSLSSEDSAVYFCARRRVYYGSNYIYALDYWGQGTSVTVSAAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEP VTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPR ; ;EVKLQQSGAELARPGTSVKLSCKASGYTFTNYWMQWIKQRPGQGLEWIGAVYPGDGDTRFSQKFKGKATLTADKSSSTAY MQLSSLSSEDSAVYFCARRRVYYGSNYIYALDYWGQGTSVTVSAAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEP VTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPR ; A ? 2 'polypeptide(L)' no no ;DIVMTQSQKFMSTSIGDRVSITCKASQNVGSAVAWYQQKPGQSPKLLIYSASNRYTGVPDRFIGSESGTDFTLTISNMQS EDLADYFCQQYSSYPLAFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVL NSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRN ; ;DIVMTQSQKFMSTSIGDRVSITCKASQNVGSAVAWYQQKPGQSPKLLIYSASNRYTGVPDRFIGSESGTDFTLTISNMQS EDLADYFCQQYSSYPLAFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVL NSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRN ; B ? 3 'polypeptide(L)' no no ;DLPLLCTLNKSHLYIKGGNASFKISFDDIAVLLPEYDVIIQHPADMSWCSKSDDQIWLSQWFMNAVGHDWYLDPPFLCRN RTKTEGFIFQVNTSKTGINENYAKKFKTGMHHLYREYPDSCLDGKLCLMKAQPTSWPLQCP ; ;DLPLLCTLNKSHLYIKGGNASFKISFDDIAVLLPEYDVIIQHPADMSWCSKSDDQIWLSQWFMNAVGHDWYLDPPFLCRN RTKTEGFIFQVNTSKTGINENYAKKFKTGMHHLYREYPDSCLDGKLCLMKAQPTSWPLQCP ; C ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLU n 1 2 VAL n 1 3 LYS n 1 4 LEU n 1 5 GLN n 1 6 GLN n 1 7 SER n 1 8 GLY n 1 9 ALA n 1 10 GLU n 1 11 LEU n 1 12 ALA n 1 13 ARG n 1 14 PRO n 1 15 GLY n 1 16 THR n 1 17 SER n 1 18 VAL n 1 19 LYS n 1 20 LEU n 1 21 SER n 1 22 CYS n 1 23 LYS n 1 24 ALA n 1 25 SER n 1 26 GLY n 1 27 TYR n 1 28 THR n 1 29 PHE n 1 30 THR n 1 31 ASN n 1 32 TYR n 1 33 TRP n 1 34 MET n 1 35 GLN n 1 36 TRP n 1 37 ILE n 1 38 LYS n 1 39 GLN n 1 40 ARG n 1 41 PRO n 1 42 GLY n 1 43 GLN n 1 44 GLY n 1 45 LEU n 1 46 GLU n 1 47 TRP n 1 48 ILE n 1 49 GLY n 1 50 ALA n 1 51 VAL n 1 52 TYR n 1 53 PRO n 1 54 GLY n 1 55 ASP n 1 56 GLY n 1 57 ASP n 1 58 THR n 1 59 ARG n 1 60 PHE n 1 61 SER n 1 62 GLN n 1 63 LYS n 1 64 PHE n 1 65 LYS n 1 66 GLY n 1 67 LYS n 1 68 ALA n 1 69 THR n 1 70 LEU n 1 71 THR n 1 72 ALA n 1 73 ASP n 1 74 LYS n 1 75 SER n 1 76 SER n 1 77 SER n 1 78 THR n 1 79 ALA n 1 80 TYR n 1 81 MET n 1 82 GLN n 1 83 LEU n 1 84 SER n 1 85 SER n 1 86 LEU n 1 87 SER n 1 88 SER n 1 89 GLU n 1 90 ASP n 1 91 SER n 1 92 ALA n 1 93 VAL n 1 94 TYR n 1 95 PHE n 1 96 CYS n 1 97 ALA n 1 98 ARG n 1 99 ARG n 1 100 ARG n 1 101 VAL n 1 102 TYR n 1 103 TYR n 1 104 GLY n 1 105 SER n 1 106 ASN n 1 107 TYR n 1 108 ILE n 1 109 TYR n 1 110 ALA n 1 111 LEU n 1 112 ASP n 1 113 TYR n 1 114 TRP n 1 115 GLY n 1 116 GLN n 1 117 GLY n 1 118 THR n 1 119 SER n 1 120 VAL n 1 121 THR n 1 122 VAL n 1 123 SER n 1 124 ALA n 1 125 ALA n 1 126 LYS n 1 127 THR n 1 128 THR n 1 129 ALA n 1 130 PRO n 1 131 SER n 1 132 VAL n 1 133 TYR n 1 134 PRO n 1 135 LEU n 1 136 ALA n 1 137 PRO n 1 138 VAL n 1 139 CYS n 1 140 GLY n 1 141 ASP n 1 142 THR n 1 143 THR n 1 144 GLY n 1 145 SER n 1 146 SER n 1 147 VAL n 1 148 THR n 1 149 LEU n 1 150 GLY n 1 151 CYS n 1 152 LEU n 1 153 VAL n 1 154 LYS n 1 155 GLY n 1 156 TYR n 1 157 PHE n 1 158 PRO n 1 159 GLU n 1 160 PRO n 1 161 VAL n 1 162 THR n 1 163 LEU n 1 164 THR n 1 165 TRP n 1 166 ASN n 1 167 SER n 1 168 GLY n 1 169 SER n 1 170 LEU n 1 171 SER n 1 172 SER n 1 173 GLY n 1 174 VAL n 1 175 HIS n 1 176 THR n 1 177 PHE n 1 178 PRO n 1 179 ALA n 1 180 VAL n 1 181 LEU n 1 182 GLN n 1 183 SER n 1 184 ASP n 1 185 LEU n 1 186 TYR n 1 187 THR n 1 188 LEU n 1 189 SER n 1 190 SER n 1 191 SER n 1 192 VAL n 1 193 THR n 1 194 VAL n 1 195 THR n 1 196 SER n 1 197 SER n 1 198 THR n 1 199 TRP n 1 200 PRO n 1 201 SER n 1 202 GLN n 1 203 SER n 1 204 ILE n 1 205 THR n 1 206 CYS n 1 207 ASN n 1 208 VAL n 1 209 ALA n 1 210 HIS n 1 211 PRO n 1 212 ALA n 1 213 SER n 1 214 SER n 1 215 THR n 1 216 LYS n 1 217 VAL n 1 218 ASP n 1 219 LYS n 1 220 LYS n 1 221 ILE n 1 222 GLU n 1 223 PRO n 1 224 ARG n 2 1 ASP n 2 2 ILE n 2 3 VAL n 2 4 MET n 2 5 THR n 2 6 GLN n 2 7 SER n 2 8 GLN n 2 9 LYS n 2 10 PHE n 2 11 MET n 2 12 SER n 2 13 THR n 2 14 SER n 2 15 ILE n 2 16 GLY n 2 17 ASP n 2 18 ARG n 2 19 VAL n 2 20 SER n 2 21 ILE n 2 22 THR n 2 23 CYS n 2 24 LYS n 2 25 ALA n 2 26 SER n 2 27 GLN n 2 28 ASN n 2 29 VAL n 2 30 GLY n 2 31 SER n 2 32 ALA n 2 33 VAL n 2 34 ALA n 2 35 TRP n 2 36 TYR n 2 37 GLN n 2 38 GLN n 2 39 LYS n 2 40 PRO n 2 41 GLY n 2 42 GLN n 2 43 SER n 2 44 PRO n 2 45 LYS n 2 46 LEU n 2 47 LEU n 2 48 ILE n 2 49 TYR n 2 50 SER n 2 51 ALA n 2 52 SER n 2 53 ASN n 2 54 ARG n 2 55 TYR n 2 56 THR n 2 57 GLY n 2 58 VAL n 2 59 PRO n 2 60 ASP n 2 61 ARG n 2 62 PHE n 2 63 ILE n 2 64 GLY n 2 65 SER n 2 66 GLU n 2 67 SER n 2 68 GLY n 2 69 THR n 2 70 ASP n 2 71 PHE n 2 72 THR n 2 73 LEU n 2 74 THR n 2 75 ILE n 2 76 SER n 2 77 ASN n 2 78 MET n 2 79 GLN n 2 80 SER n 2 81 GLU n 2 82 ASP n 2 83 LEU n 2 84 ALA n 2 85 ASP n 2 86 TYR n 2 87 PHE n 2 88 CYS n 2 89 GLN n 2 90 GLN n 2 91 TYR n 2 92 SER n 2 93 SER n 2 94 TYR n 2 95 PRO n 2 96 LEU n 2 97 ALA n 2 98 PHE n 2 99 GLY n 2 100 ALA n 2 101 GLY n 2 102 THR n 2 103 LYS n 2 104 LEU n 2 105 GLU n 2 106 LEU n 2 107 LYS n 2 108 ARG n 2 109 ALA n 2 110 ASP n 2 111 ALA n 2 112 ALA n 2 113 PRO n 2 114 THR n 2 115 VAL n 2 116 SER n 2 117 ILE n 2 118 PHE n 2 119 PRO n 2 120 PRO n 2 121 SER n 2 122 SER n 2 123 GLU n 2 124 GLN n 2 125 LEU n 2 126 THR n 2 127 SER n 2 128 GLY n 2 129 GLY n 2 130 ALA n 2 131 SER n 2 132 VAL n 2 133 VAL n 2 134 CYS n 2 135 PHE n 2 136 LEU n 2 137 ASN n 2 138 ASN n 2 139 PHE n 2 140 TYR n 2 141 PRO n 2 142 LYS n 2 143 ASP n 2 144 ILE n 2 145 ASN n 2 146 VAL n 2 147 LYS n 2 148 TRP n 2 149 LYS n 2 150 ILE n 2 151 ASP n 2 152 GLY n 2 153 SER n 2 154 GLU n 2 155 ARG n 2 156 GLN n 2 157 ASN n 2 158 GLY n 2 159 VAL n 2 160 LEU n 2 161 ASN n 2 162 SER n 2 163 TRP n 2 164 THR n 2 165 ASP n 2 166 GLN n 2 167 ASP n 2 168 SER n 2 169 LYS n 2 170 ASP n 2 171 SER n 2 172 THR n 2 173 TYR n 2 174 SER n 2 175 MET n 2 176 SER n 2 177 SER n 2 178 THR n 2 179 LEU n 2 180 THR n 2 181 LEU n 2 182 THR n 2 183 LYS n 2 184 ASP n 2 185 GLU n 2 186 TYR n 2 187 GLU n 2 188 ARG n 2 189 HIS n 2 190 ASN n 2 191 SER n 2 192 TYR n 2 193 THR n 2 194 CYS n 2 195 GLU n 2 196 ALA n 2 197 THR n 2 198 HIS n 2 199 LYS n 2 200 THR n 2 201 SER n 2 202 THR n 2 203 SER n 2 204 PRO n 2 205 ILE n 2 206 VAL n 2 207 LYS n 2 208 SER n 2 209 PHE n 2 210 ASN n 2 211 ARG n 2 212 ASN n 3 1 ASP n 3 2 LEU n 3 3 PRO n 3 4 LEU n 3 5 LEU n 3 6 CYS n 3 7 THR n 3 8 LEU n 3 9 ASN n 3 10 LYS n 3 11 SER n 3 12 HIS n 3 13 LEU n 3 14 TYR n 3 15 ILE n 3 16 LYS n 3 17 GLY n 3 18 GLY n 3 19 ASN n 3 20 ALA n 3 21 SER n 3 22 PHE n 3 23 LYS n 3 24 ILE n 3 25 SER n 3 26 PHE n 3 27 ASP n 3 28 ASP n 3 29 ILE n 3 30 ALA n 3 31 VAL n 3 32 LEU n 3 33 LEU n 3 34 PRO n 3 35 GLU n 3 36 TYR n 3 37 ASP n 3 38 VAL n 3 39 ILE n 3 40 ILE n 3 41 GLN n 3 42 HIS n 3 43 PRO n 3 44 ALA n 3 45 ASP n 3 46 MET n 3 47 SER n 3 48 TRP n 3 49 CYS n 3 50 SER n 3 51 LYS n 3 52 SER n 3 53 ASP n 3 54 ASP n 3 55 GLN n 3 56 ILE n 3 57 TRP n 3 58 LEU n 3 59 SER n 3 60 GLN n 3 61 TRP n 3 62 PHE n 3 63 MET n 3 64 ASN n 3 65 ALA n 3 66 VAL n 3 67 GLY n 3 68 HIS n 3 69 ASP n 3 70 TRP n 3 71 TYR n 3 72 LEU n 3 73 ASP n 3 74 PRO n 3 75 PRO n 3 76 PHE n 3 77 LEU n 3 78 CYS n 3 79 ARG n 3 80 ASN n 3 81 ARG n 3 82 THR n 3 83 LYS n 3 84 THR n 3 85 GLU n 3 86 GLY n 3 87 PHE n 3 88 ILE n 3 89 PHE n 3 90 GLN n 3 91 VAL n 3 92 ASN n 3 93 THR n 3 94 SER n 3 95 LYS n 3 96 THR n 3 97 GLY n 3 98 ILE n 3 99 ASN n 3 100 GLU n 3 101 ASN n 3 102 TYR n 3 103 ALA n 3 104 LYS n 3 105 LYS n 3 106 PHE n 3 107 LYS n 3 108 THR n 3 109 GLY n 3 110 MET n 3 111 HIS n 3 112 HIS n 3 113 LEU n 3 114 TYR n 3 115 ARG n 3 116 GLU n 3 117 TYR n 3 118 PRO n 3 119 ASP n 3 120 SER n 3 121 CYS n 3 122 LEU n 3 123 ASP n 3 124 GLY n 3 125 LYS n 3 126 LEU n 3 127 CYS n 3 128 LEU n 3 129 MET n 3 130 LYS n 3 131 ALA n 3 132 GLN n 3 133 PRO n 3 134 THR n 3 135 SER n 3 136 TRP n 3 137 PRO n 3 138 LEU n 3 139 GLN n 3 140 CYS n 3 141 PRO n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample 'Biological sequence' 1 224 ? ? ? ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 sample 'Biological sequence' 1 212 ? ? ? ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? 3 1 sample 'Biological sequence' 1 141 JUNV ? 'GPC, GP-C' ? ? ? ? ? ? 'Junin mammarenavirus' 11619 ? ? ? ? ? ? ? ? 'Homo sapiens' 9606 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin 1 PDB 5EN2 5EN2 ? 1 ? 1 2 PDB 5EN2 5EN2 ? 2 ? 1 3 UNP GLYC_JUNIN P26313 ? 3 ;DLPLLCTLNKSHLYIKGGNASFKISFDDIAVLLPEYDVIIQHPADMSWCSKSDDQIWLSQWFMNAVGHDWYLDPPFLCRN RTKTEGFIFQVNTSKTGINENYAKKFKTGMHHLYREYPDSCLDGKLCLMKAQPTSWPLQCP ; 87 # 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 5EN2 A 1 ? 224 ? 5EN2 1 ? 213 ? 1 213 2 2 5EN2 B 1 ? 212 ? 5EN2 1 ? 212 ? 1 212 3 3 5EN2 C 1 ? 141 ? P26313 87 ? 227 ? 87 227 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.absorpt_coefficient_mu ? _exptl.absorpt_correction_T_max ? _exptl.absorpt_correction_T_min ? _exptl.absorpt_correction_type ? _exptl.absorpt_process_details ? _exptl.entry_id 5EN2 _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 2.71 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 54.56 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 8.0 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details ;JUNV GP1 and GD01 Fab, when mixed in equimolar ratio crystallized in mother liquor containing 24% PEG 3350 (v/v), 10 mM Tris, pH 8.0, 150 mM NaCl. ; _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'PSI PILATUS 6M' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2014-02-26 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # loop_ _diffrn_radiation_wavelength.id _diffrn_radiation_wavelength.wavelength _diffrn_radiation_wavelength.wt 1 0.9789 1.0 2 0.97890 1.0 # _diffrn_source.current ? _diffrn_source.details ? _diffrn_source.diffrn_id 1 _diffrn_source.power ? _diffrn_source.size ? _diffrn_source.source SYNCHROTRON _diffrn_source.target ? _diffrn_source.type 'APS BEAMLINE 24-ID-C' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.97890 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline 24-ID-C _diffrn_source.pdbx_synchrotron_site APS # _reflns.B_iso_Wilson_estimate 20.230 _reflns.entry_id 5EN2 _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 1.821 _reflns.d_resolution_low 68.93 _reflns.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.number_all 63113 _reflns.number_obs 63113 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 99.900 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 5.900 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value 0.226 _reflns.pdbx_netI_over_av_sigmaI 3.125 _reflns.pdbx_netI_over_sigmaI 6.700 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all 0.248 _reflns.pdbx_Rpim_I_all 0.101 _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all 371895 _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.meanI_over_sigI_all _reflns_shell.meanI_over_sigI_obs _reflns_shell.number_measured_all _reflns_shell.number_measured_obs _reflns_shell.number_possible _reflns_shell.number_unique_all _reflns_shell.number_unique_obs _reflns_shell.percent_possible_all _reflns_shell.percent_possible_obs _reflns_shell.Rmerge_F_all _reflns_shell.Rmerge_F_obs _reflns_shell.Rmerge_I_all _reflns_shell.Rmerge_I_obs _reflns_shell.meanI_over_sigI_gt _reflns_shell.meanI_over_uI_all _reflns_shell.meanI_over_uI_gt _reflns_shell.number_measured_gt _reflns_shell.number_unique_gt _reflns_shell.percent_possible_gt _reflns_shell.Rmerge_F_gt _reflns_shell.Rmerge_I_gt _reflns_shell.pdbx_redundancy _reflns_shell.pdbx_Rsym_value _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_netI_over_sigmaI_all _reflns_shell.pdbx_netI_over_sigmaI_obs _reflns_shell.pdbx_Rrim_I_all _reflns_shell.pdbx_Rpim_I_all _reflns_shell.pdbx_rejects _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id _reflns_shell.pdbx_CC_half _reflns_shell.pdbx_R_split 1.820 1.920 ? 0.500 51454 ? ? 9075 ? 99.900 ? ? ? ? 1.418 ? ? ? ? ? ? ? ? 5.700 1.418 ? ? 1.500 ? 0.648 0 1 1 ? ? 1.920 2.040 ? 0.700 51734 ? ? 8599 ? 100.000 ? ? ? ? 0.950 ? ? ? ? ? ? ? ? 6.000 0.950 ? ? 2.200 ? 0.419 0 2 1 ? ? 2.040 2.180 ? 1.100 45270 ? ? 8126 ? 99.900 ? ? ? ? 0.640 ? ? ? ? ? ? ? ? 5.600 0.640 ? ? 3.000 ? 0.295 0 3 1 ? ? 2.180 2.350 ? 1.600 46739 ? ? 7558 ? 100.000 ? ? ? ? 0.455 ? ? ? ? ? ? ? ? 6.200 0.455 ? ? 4.200 ? 0.197 0 4 1 ? ? 2.350 2.580 ? 2.300 40651 ? ? 6980 ? 99.900 ? ? ? ? 0.324 ? ? ? ? ? ? ? ? 5.800 0.324 ? ? 5.400 ? 0.145 0 5 1 ? ? 2.580 2.880 ? 3.500 38958 ? ? 6356 ? 100.000 ? ? ? ? 0.208 ? ? ? ? ? ? ? ? 6.100 0.208 ? ? 7.700 ? 0.091 0 6 1 ? ? 2.880 3.320 ? 5.400 33451 ? ? 5610 ? 99.900 ? ? ? ? 0.133 ? ? ? ? ? ? ? ? 6.000 0.133 ? ? 11.300 ? 0.059 0 7 1 ? ? 3.320 4.070 ? 7.900 29380 ? ? 4804 ? 99.900 ? ? ? ? 0.089 ? ? ? ? ? ? ? ? 6.100 0.089 ? ? 16.400 ? 0.039 0 8 1 ? ? 4.070 5.760 ? 9.100 21775 ? ? 3794 ? 99.900 ? ? ? ? 0.072 ? ? ? ? ? ? ? ? 5.700 0.072 ? ? 18.200 ? 0.032 0 9 1 ? ? 5.760 68.930 ? 8.400 12483 ? ? 2211 ? 99.900 ? ? ? ? 0.068 ? ? ? ? ? ? ? ? 5.600 0.068 ? ? 16.400 ? 0.031 0 10 1 ? ? # _refine.aniso_B[1][1] 2.0897 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] 0.0000 _refine.aniso_B[2][2] -0.4200 _refine.aniso_B[2][3] 0.0000 _refine.aniso_B[3][3] -1.6697 _refine.B_iso_max 163.530 _refine.B_iso_mean 25.5100 _refine.B_iso_min 3.000 _refine.correlation_coeff_Fo_to_Fc 0.9458 _refine.correlation_coeff_Fo_to_Fc_free 0.9137 _refine.details ? _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 5EN2 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 1.821 _refine.ls_d_res_low 68.9300 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 63032 _refine.ls_number_reflns_R_free 3168 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.6900 _refine.ls_percent_reflns_R_free 5.0300 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1827 _refine.ls_R_factor_R_free 0.2244 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.1805 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.000 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model '3KAS, 3FMG' _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI 0.1200 _refine.pdbx_overall_SU_R_free_Blow_DPI 0.1300 _refine.pdbx_overall_SU_R_Blow_DPI 0.1380 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML ? _refine.overall_SU_R_Cruickshank_DPI 0.1200 _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_analyze.entry_id 5EN2 _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_coordinate_error_obs 0.218 _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_sigma_a_free_details ? _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_sigma_a_obs_details ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.RG_d_res_high ? _refine_analyze.RG_d_res_low ? _refine_analyze.RG_free ? _refine_analyze.RG_work ? _refine_analyze.RG_free_work_ratio ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? # _refine_hist.cycle_id final _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.d_res_high 1.821 _refine_hist.d_res_low 68.9300 _refine_hist.pdbx_number_atoms_ligand 125 _refine_hist.number_atoms_solvent 886 _refine_hist.number_atoms_total 5470 _refine_hist.pdbx_number_residues_total 572 _refine_hist.pdbx_B_iso_mean_ligand 56.78 _refine_hist.pdbx_B_iso_mean_solvent 39.57 _refine_hist.pdbx_number_atoms_protein 4459 _refine_hist.pdbx_number_atoms_nucleic_acid 0 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? ? ? 1601 ? t_dihedral_angle_d 2.000 SINUSOIDAL 'X-RAY DIFFRACTION' ? ? ? 99 ? t_trig_c_planes 2.000 HARMONIC 'X-RAY DIFFRACTION' ? ? ? 672 ? t_gen_planes 5.000 HARMONIC 'X-RAY DIFFRACTION' ? ? ? 4718 ? t_it 20.000 HARMONIC 'X-RAY DIFFRACTION' ? ? ? ? ? t_nbd ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_improper_torsion ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_pseud_angle ? ? 'X-RAY DIFFRACTION' ? ? ? 656 ? t_chiral_improper_torsion 5.000 SEMIHARMONIC 'X-RAY DIFFRACTION' ? ? ? ? ? t_sum_occupancies ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_utility_distance ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_utility_angle ? ? 'X-RAY DIFFRACTION' ? ? ? ? ? t_utility_torsion ? ? 'X-RAY DIFFRACTION' ? ? ? 5905 ? t_ideal_dist_contact 4.000 SEMIHARMONIC 'X-RAY DIFFRACTION' ? 0.010 ? 4718 ? t_bond_d 2.000 HARMONIC 'X-RAY DIFFRACTION' ? 1.060 ? 6433 ? t_angle_deg 2.000 HARMONIC 'X-RAY DIFFRACTION' ? 3.860 ? ? ? t_omega_torsion ? ? 'X-RAY DIFFRACTION' ? 15.330 ? ? ? t_other_torsion ? ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.d_res_high 1.8200 _refine_ls_shell.d_res_low 1.8700 _refine_ls_shell.number_reflns_all 4498 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.number_reflns_R_free 229 _refine_ls_shell.number_reflns_R_work 4269 _refine_ls_shell.percent_reflns_obs 97.3300 _refine_ls_shell.percent_reflns_R_free 5.0900 _refine_ls_shell.R_factor_all 0.2406 _refine_ls_shell.R_factor_obs ? _refine_ls_shell.R_factor_R_free 0.2740 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.R_factor_R_work 0.2388 _refine_ls_shell.redundancy_reflns_all ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.wR_factor_all ? _refine_ls_shell.wR_factor_obs ? _refine_ls_shell.wR_factor_R_free ? _refine_ls_shell.wR_factor_R_work ? _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.pdbx_phase_error ? _refine_ls_shell.pdbx_fsc_work ? _refine_ls_shell.pdbx_fsc_free ? # _struct.entry_id 5EN2 _struct.title 'Molecular basis for antibody-mediated neutralization of New World hemorrhagic fever mammarenaviruses' _struct.pdbx_descriptor 'GD01 light chain, GD01 heavy chain, Pre-glycoprotein polyprotein GP complex' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 5EN2 _struct_keywords.text 'Immunoglobulin, glycoprotein, virus, complex, VIRAL PROTEIN-IMMUNE SYSTEM complex' _struct_keywords.pdbx_keywords 'VIRAL PROTEIN/IMMUNE SYSTEM' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 5 ? F N N 5 ? G N N 6 ? H N N 7 ? I N N 7 ? J N N 7 ? K N N 7 ? L N N 5 ? M N N 5 ? N N N 5 ? O N N 8 ? P N N 8 ? Q N N 8 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 THR A 28 ? THR A 30 ? THR A 28 THR A 30 5 ? 3 HELX_P HELX_P2 AA2 GLN A 62 ? LYS A 65 ? GLN A 61 LYS A 64 5 ? 4 HELX_P HELX_P3 AA3 SER A 87 ? SER A 91 ? SER A 83 SER A 87 5 ? 5 HELX_P HELX_P4 AA4 SER A 167 ? SER A 169 ? SER A 156 SER A 158 5 ? 3 HELX_P HELX_P5 AA5 PRO A 211 ? SER A 214 ? PRO A 200 SER A 203 5 ? 4 HELX_P HELX_P6 AA6 GLN B 79 ? LEU B 83 ? GLN B 79 LEU B 83 5 ? 5 HELX_P HELX_P7 AA7 SER B 121 ? SER B 127 ? SER B 121 SER B 127 1 ? 7 HELX_P HELX_P8 AA8 LYS B 183 ? GLU B 187 ? LYS B 183 GLU B 187 1 ? 5 HELX_P HELX_P9 AA9 HIS C 42 ? SER C 50 ? HIS C 128 SER C 136 5 ? 9 HELX_P HELX_P10 AB1 SER C 52 ? VAL C 66 ? SER C 138 VAL C 152 1 ? 15 HELX_P HELX_P11 AB2 THR C 96 ? ILE C 98 ? THR C 182 ILE C 184 5 ? 3 HELX_P HELX_P12 AB3 ASN C 99 ? TYR C 114 ? ASN C 185 TYR C 200 1 ? 16 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_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_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 22 SG ? ? ? 1_555 A CYS 96 SG ? ? A CYS 22 A CYS 92 1_555 ? ? ? ? ? ? ? 2.047 ? disulf2 disulf ? ? A CYS 151 SG ? ? ? 1_555 A CYS 206 SG ? ? A CYS 140 A CYS 195 1_555 ? ? ? ? ? ? ? 2.038 ? disulf3 disulf ? ? B CYS 23 SG ? ? ? 1_555 B CYS 88 SG ? ? B CYS 23 B CYS 88 1_555 ? ? ? ? ? ? ? 2.065 ? disulf4 disulf ? ? B CYS 134 SG ? ? ? 1_555 B CYS 194 SG ? ? B CYS 134 B CYS 194 1_555 ? ? ? ? ? ? ? 2.065 ? disulf5 disulf ? ? C CYS 6 SG ? ? ? 1_555 C CYS 140 SG ? ? C CYS 92 C CYS 226 1_555 ? ? ? ? ? ? ? 2.042 ? disulf6 disulf ? ? C CYS 49 SG ? ? ? 1_555 C CYS 78 SG ? ? C CYS 135 C CYS 164 1_555 ? ? ? ? ? ? ? 2.018 ? disulf7 disulf ? ? C CYS 121 SG ? ? ? 1_555 C CYS 127 SG ? ? C CYS 207 C CYS 213 1_555 ? ? ? ? ? ? ? 2.112 ? covale1 covale one ? C ASN 19 ND2 ? ? ? 1_555 N NAG . C1 ? ? C ASN 105 C NAG 610 1_555 ? ? ? ? ? ? ? 1.438 ? covale2 covale one ? C ASN 80 ND2 ? ? ? 1_555 L NAG . C1 ? ? C ASN 166 C NAG 608 1_555 ? ? ? ? ? ? ? 1.433 ? covale3 covale one ? C ASN 92 ND2 ? ? ? 1_555 E NAG . C1 ? ? C ASN 178 C NAG 601 1_555 ? ? ? ? ? ? ? 1.433 ? covale4 covale both ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? C NAG 601 C NAG 602 1_555 ? ? ? ? ? ? ? 1.415 ? covale5 covale both ? F NAG . O4 ? ? ? 1_555 G BMA . C1 ? ? C NAG 602 C BMA 603 1_555 ? ? ? ? ? ? ? 1.398 ? covale6 covale one ? G BMA . O3 ? ? ? 1_555 J MAN . C1 ? ? C BMA 603 C MAN 606 1_555 ? ? ? ? ? ? ? 1.436 ? covale7 covale one ? G BMA . O6 ? ? ? 1_555 H MAN . C1 ? ? C BMA 603 C MAN 604 1_555 ? ? ? ? ? ? ? 1.404 ? covale8 covale one ? H MAN . O3 ? ? ? 1_555 I MAN . C1 ? ? C MAN 604 C MAN 605 1_555 ? ? ? ? ? ? ? 1.437 ? covale9 covale one ? H MAN . O6 ? ? ? 1_555 K MAN . C1 ? ? C MAN 604 C MAN 607 1_555 ? ? ? ? ? ? ? 1.404 ? covale10 covale both ? L NAG . O4 ? ? ? 1_555 M NAG . C1 ? ? C NAG 608 C NAG 609 1_555 ? ? ? ? ? ? ? 1.431 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 PHE 157 A . ? PHE 146 A PRO 158 A ? PRO 147 A 1 -2.95 2 GLU 159 A . ? GLU 148 A PRO 160 A ? PRO 149 A 1 1.46 3 TRP 199 A . ? TRP 188 A PRO 200 A ? PRO 189 A 1 2.07 4 TYR 94 B . ? TYR 94 B PRO 95 B ? PRO 95 B 1 3.45 5 TYR 140 B . ? TYR 140 B PRO 141 B ? PRO 141 B 1 1.96 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 4 ? AA2 ? 6 ? AA3 ? 4 ? AA4 ? 4 ? AA5 ? 3 ? AA6 ? 4 ? AA7 ? 6 ? AA8 ? 4 ? AA9 ? 4 ? AB1 ? 4 ? AB2 ? 7 ? # 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 AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA2 1 2 ? parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA2 4 5 ? anti-parallel AA2 5 6 ? anti-parallel AA3 1 2 ? anti-parallel AA3 2 3 ? anti-parallel AA3 3 4 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA4 3 4 ? anti-parallel AA5 1 2 ? anti-parallel AA5 2 3 ? anti-parallel AA6 1 2 ? anti-parallel AA6 2 3 ? anti-parallel AA6 3 4 ? anti-parallel AA7 1 2 ? parallel AA7 2 3 ? anti-parallel AA7 3 4 ? anti-parallel AA7 4 5 ? anti-parallel AA7 5 6 ? anti-parallel AA8 1 2 ? parallel AA8 2 3 ? anti-parallel AA8 3 4 ? anti-parallel AA9 1 2 ? anti-parallel AA9 2 3 ? anti-parallel AA9 3 4 ? anti-parallel AB1 1 2 ? anti-parallel AB1 2 3 ? anti-parallel AB1 3 4 ? anti-parallel AB2 1 2 ? anti-parallel AB2 2 3 ? anti-parallel AB2 3 4 ? anti-parallel AB2 4 5 ? anti-parallel AB2 5 6 ? anti-parallel AB2 6 7 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 LYS A 3 ? GLN A 6 ? LYS A 3 GLN A 6 AA1 2 VAL A 18 ? SER A 25 ? VAL A 18 SER A 25 AA1 3 THR A 78 ? LEU A 83 ? THR A 77 LEU A 82 AA1 4 ALA A 68 ? ASP A 73 ? ALA A 67 ASP A 72 AA2 1 GLU A 10 ? ALA A 12 ? GLU A 10 ALA A 12 AA2 2 THR A 118 ? VAL A 122 ? THR A 107 VAL A 111 AA2 3 ALA A 92 ? ARG A 100 ? ALA A 88 ARG A 96 AA2 4 TYR A 32 ? GLN A 39 ? TYR A 32 GLN A 39 AA2 5 LEU A 45 ? VAL A 51 ? LEU A 45 VAL A 51 AA2 6 THR A 58 ? PHE A 60 ? THR A 57 PHE A 59 AA3 1 SER A 131 ? LEU A 135 ? SER A 120 LEU A 124 AA3 2 SER A 146 ? TYR A 156 ? SER A 135 TYR A 145 AA3 3 LEU A 185 ? THR A 195 ? LEU A 174 THR A 184 AA3 4 VAL A 174 ? THR A 176 ? VAL A 163 THR A 165 AA4 1 SER A 131 ? LEU A 135 ? SER A 120 LEU A 124 AA4 2 SER A 146 ? TYR A 156 ? SER A 135 TYR A 145 AA4 3 LEU A 185 ? THR A 195 ? LEU A 174 THR A 184 AA4 4 VAL A 180 ? GLN A 182 ? VAL A 169 GLN A 171 AA5 1 THR A 162 ? TRP A 165 ? THR A 151 TRP A 154 AA5 2 THR A 205 ? HIS A 210 ? THR A 194 HIS A 199 AA5 3 THR A 215 ? LYS A 220 ? THR A 204 LYS A 209 AA6 1 MET B 4 ? GLN B 6 ? MET B 4 GLN B 6 AA6 2 VAL B 19 ? ALA B 25 ? VAL B 19 ALA B 25 AA6 3 ASP B 70 ? ILE B 75 ? ASP B 70 ILE B 75 AA6 4 PHE B 62 ? SER B 67 ? PHE B 62 SER B 67 AA7 1 PHE B 10 ? THR B 13 ? PHE B 10 THR B 13 AA7 2 THR B 102 ? LEU B 106 ? THR B 102 LEU B 106 AA7 3 ASP B 85 ? GLN B 90 ? ASP B 85 GLN B 90 AA7 4 VAL B 33 ? GLN B 38 ? VAL B 33 GLN B 38 AA7 5 LYS B 45 ? TYR B 49 ? LYS B 45 TYR B 49 AA7 6 ASN B 53 ? ARG B 54 ? ASN B 53 ARG B 54 AA8 1 PHE B 10 ? THR B 13 ? PHE B 10 THR B 13 AA8 2 THR B 102 ? LEU B 106 ? THR B 102 LEU B 106 AA8 3 ASP B 85 ? GLN B 90 ? ASP B 85 GLN B 90 AA8 4 ALA B 97 ? PHE B 98 ? ALA B 97 PHE B 98 AA9 1 THR B 114 ? PHE B 118 ? THR B 114 PHE B 118 AA9 2 GLY B 129 ? PHE B 139 ? GLY B 129 PHE B 139 AA9 3 TYR B 173 ? THR B 182 ? TYR B 173 THR B 182 AA9 4 VAL B 159 ? TRP B 163 ? VAL B 159 TRP B 163 AB1 1 SER B 153 ? ARG B 155 ? SER B 153 ARG B 155 AB1 2 ASN B 145 ? ILE B 150 ? ASN B 145 ILE B 150 AB1 3 SER B 191 ? THR B 197 ? SER B 191 THR B 197 AB1 4 ILE B 205 ? ASN B 210 ? ILE B 205 ASN B 210 AB2 1 LEU C 4 ? LEU C 8 ? LEU C 90 LEU C 94 AB2 2 HIS C 12 ? GLY C 17 ? HIS C 98 GLY C 103 AB2 3 ALA C 20 ? ASP C 27 ? ALA C 106 ASP C 113 AB2 4 LEU C 128 ? PRO C 133 ? LEU C 214 PRO C 219 AB2 5 PHE C 89 ? ASN C 92 ? PHE C 175 ASN C 178 AB2 6 PHE C 76 ? CYS C 78 ? PHE C 162 CYS C 164 AB2 7 VAL C 38 ? ILE C 40 ? VAL C 124 ILE C 126 # 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 AA1 1 2 N GLN A 5 ? N GLN A 5 O LYS A 23 ? O LYS A 23 AA1 2 3 N LEU A 20 ? N LEU A 20 O MET A 81 ? O MET A 80 AA1 3 4 O THR A 78 ? O THR A 77 N ASP A 73 ? N ASP A 72 AA2 1 2 N GLU A 10 ? N GLU A 10 O SER A 119 ? O SER A 108 AA2 2 3 O THR A 118 ? O THR A 107 N TYR A 94 ? N TYR A 90 AA2 3 4 O ALA A 97 ? O ALA A 93 N GLN A 35 ? N GLN A 35 AA2 4 5 N LYS A 38 ? N LYS A 38 O GLU A 46 ? O GLU A 46 AA2 5 6 N ALA A 50 ? N ALA A 50 O ARG A 59 ? O ARG A 58 AA3 1 2 N TYR A 133 ? N TYR A 122 O LEU A 152 ? O LEU A 141 AA3 2 3 N VAL A 153 ? N VAL A 142 O LEU A 188 ? O LEU A 177 AA3 3 4 O SER A 191 ? O SER A 180 N HIS A 175 ? N HIS A 164 AA4 1 2 N TYR A 133 ? N TYR A 122 O LEU A 152 ? O LEU A 141 AA4 2 3 N VAL A 153 ? N VAL A 142 O LEU A 188 ? O LEU A 177 AA4 3 4 O LEU A 185 ? O LEU A 174 N GLN A 182 ? N GLN A 171 AA5 1 2 N THR A 164 ? N THR A 153 O ASN A 207 ? O ASN A 196 AA5 2 3 N VAL A 208 ? N VAL A 197 O VAL A 217 ? O VAL A 206 AA6 1 2 N THR B 5 ? N THR B 5 O LYS B 24 ? O LYS B 24 AA6 2 3 N CYS B 23 ? N CYS B 23 O PHE B 71 ? O PHE B 71 AA6 3 4 O THR B 74 ? O THR B 74 N ILE B 63 ? N ILE B 63 AA7 1 2 N MET B 11 ? N MET B 11 O GLU B 105 ? O GLU B 105 AA7 2 3 O THR B 102 ? O THR B 102 N TYR B 86 ? N TYR B 86 AA7 3 4 O PHE B 87 ? O PHE B 87 N TYR B 36 ? N TYR B 36 AA7 4 5 N TRP B 35 ? N TRP B 35 O LEU B 47 ? O LEU B 47 AA7 5 6 N TYR B 49 ? N TYR B 49 O ASN B 53 ? O ASN B 53 AA8 1 2 N MET B 11 ? N MET B 11 O GLU B 105 ? O GLU B 105 AA8 2 3 O THR B 102 ? O THR B 102 N TYR B 86 ? N TYR B 86 AA8 3 4 N GLN B 90 ? N GLN B 90 O ALA B 97 ? O ALA B 97 AA9 1 2 N THR B 114 ? N THR B 114 O ASN B 137 ? O ASN B 137 AA9 2 3 N ALA B 130 ? N ALA B 130 O LEU B 181 ? O LEU B 181 AA9 3 4 O THR B 178 ? O THR B 178 N LEU B 160 ? N LEU B 160 AB1 1 2 O SER B 153 ? O SER B 153 N ILE B 150 ? N ILE B 150 AB1 2 3 N ASN B 145 ? N ASN B 145 O THR B 197 ? O THR B 197 AB1 3 4 N ALA B 196 ? N ALA B 196 O ILE B 205 ? O ILE B 205 AB2 1 2 N LEU C 8 ? N LEU C 94 O HIS C 12 ? O HIS C 98 AB2 2 3 N ILE C 15 ? N ILE C 101 O PHE C 22 ? O PHE C 108 AB2 3 4 N ASP C 27 ? N ASP C 113 O LEU C 128 ? O LEU C 214 AB2 4 5 O MET C 129 ? O MET C 215 N VAL C 91 ? N VAL C 177 AB2 5 6 O GLN C 90 ? O GLN C 176 N LEU C 77 ? N LEU C 163 AB2 6 7 O PHE C 76 ? O PHE C 162 N ILE C 40 ? N ILE C 126 # loop_ _struct_site.id _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 _struct_site.pdbx_num_residues _struct_site.details AC1 Software B CL 301 ? 4 'binding site for residue CL B 301' AC2 Software C NAG 610 ? 2 'binding site for Mono-Saccharide NAG C 610 bound to ASN C 105' AC3 Software C ASN 166 ? 4 'binding site for Poly-Saccharide residues NAG C 608 through NAG C 609 bound to ASN C 166' AC4 Software C ASN 178 ? 16 'binding site for Poly-Saccharide residues NAG C 601 through MAN C 607 bound to ASN C 178' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 4 TYR A 107 C TYR A 100 . ? 4_555 ? 2 AC1 4 HOH O . ? HOH A 526 . ? 4_555 ? 3 AC1 4 PRO B 59 ? PRO B 59 . ? 1_555 ? 4 AC1 4 ARG B 61 ? ARG B 61 . ? 1_555 ? 5 AC2 2 ASN C 19 ? ASN C 105 . ? 1_555 ? 6 AC2 2 HOH Q . ? HOH C 755 . ? 1_555 ? 7 AC3 4 TRP C 48 ? TRP C 134 . ? 1_555 ? 8 AC3 4 ASN C 80 ? ASN C 166 . ? 1_555 ? 9 AC3 4 THR C 82 ? THR C 168 . ? 1_555 ? 10 AC3 4 HOH Q . ? HOH C 806 . ? 1_555 ? 11 AC4 16 SER A 201 ? SER A 190 . ? 1_565 ? 12 AC4 16 LYS A 220 ? LYS A 209 . ? 1_565 ? 13 AC4 16 SER B 26 ? SER B 26 . ? 1_555 ? 14 AC4 16 GLN B 27 ? GLN B 27 . ? 1_555 ? 15 AC4 16 ASN B 28 ? ASN B 28 . ? 1_555 ? 16 AC4 16 HOH P . ? HOH B 409 . ? 1_555 ? 17 AC4 16 HOH P . ? HOH B 492 . ? 1_555 ? 18 AC4 16 ASN C 92 ? ASN C 178 . ? 1_555 ? 19 AC4 16 THR C 96 ? THR C 182 . ? 1_555 ? 20 AC4 16 ASN C 99 ? ASN C 185 . ? 1_555 ? 21 AC4 16 HOH Q . ? HOH C 710 . ? 1_555 ? 22 AC4 16 HOH Q . ? HOH C 729 . ? 1_555 ? 23 AC4 16 HOH Q . ? HOH C 738 . ? 1_555 ? 24 AC4 16 HOH Q . ? HOH C 758 . ? 1_555 ? 25 AC4 16 HOH Q . ? HOH C 781 . ? 1_555 ? 26 AC4 16 HOH Q . ? HOH C 809 . ? 1_555 ? # _atom_sites.entry_id 5EN2 _atom_sites.fract_transf_matrix[1][1] 0.019190 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.013371 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.005629 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CL N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _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_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLU A 1 1 ? -26.698 11.277 -3.446 1.00 26.07 ? 1 GLU A N 1 ATOM 2 C CA . GLU A 1 1 ? -25.299 11.388 -3.845 1.00 24.24 ? 1 GLU A CA 1 ATOM 3 C C . GLU A 1 1 ? -25.199 11.825 -5.312 1.00 21.44 ? 1 GLU A C 1 ATOM 4 O O . GLU A 1 1 ? -26.035 11.447 -6.124 1.00 19.63 ? 1 GLU A O 1 ATOM 5 C CB . GLU A 1 1 ? -24.545 10.081 -3.556 1.00 25.86 ? 1 GLU A CB 1 ATOM 6 C CG . GLU A 1 1 ? -25.227 8.809 -4.048 1.00 46.06 ? 1 GLU A CG 1 ATOM 7 C CD . GLU A 1 1 ? -26.630 8.462 -3.575 1.00 82.91 ? 1 GLU A CD 1 ATOM 8 O OE1 . GLU A 1 1 ? -26.948 8.717 -2.390 1.00 89.94 ? 1 GLU A OE1 1 ATOM 9 O OE2 . GLU A 1 1 ? -27.416 7.938 -4.398 1.00 82.54 ? 1 GLU A OE2 1 ATOM 10 N N . VAL A 1 2 ? -24.193 12.625 -5.641 1.00 17.33 ? 2 VAL A N 1 ATOM 11 C CA . VAL A 1 2 ? -24.000 13.160 -6.999 1.00 16.16 ? 2 VAL A CA 1 ATOM 12 C C . VAL A 1 2 ? -23.483 12.067 -7.921 1.00 17.91 ? 2 VAL A C 1 ATOM 13 O O . VAL A 1 2 ? -22.512 11.381 -7.599 1.00 18.04 ? 2 VAL A O 1 ATOM 14 C CB . VAL A 1 2 ? -23.104 14.434 -7.002 1.00 18.70 ? 2 VAL A CB 1 ATOM 15 C CG1 . VAL A 1 2 ? -22.894 14.969 -8.417 1.00 19.21 ? 2 VAL A CG1 1 ATOM 16 C CG2 . VAL A 1 2 ? -23.681 15.514 -6.099 1.00 17.00 ? 2 VAL A CG2 1 ATOM 17 N N . LYS A 1 3 ? -24.141 11.897 -9.066 1.00 13.58 ? 3 LYS A N 1 ATOM 18 C CA . LYS A 1 3 ? -23.715 10.878 -10.025 1.00 14.68 ? 3 LYS A CA 1 ATOM 19 C C . LYS A 1 3 ? -23.960 11.356 -11.446 1.00 16.24 ? 3 LYS A C 1 ATOM 20 O O . LYS A 1 3 ? -24.987 11.986 -11.708 1.00 14.82 ? 3 LYS A O 1 ATOM 21 C CB . LYS A 1 3 ? -24.470 9.572 -9.797 1.00 17.65 ? 3 LYS A CB 1 ATOM 22 C CG . LYS A 1 3 ? -23.694 8.551 -8.999 1.00 36.37 ? 3 LYS A CG 1 ATOM 23 C CD . LYS A 1 3 ? -24.535 7.287 -8.764 1.00 46.49 ? 3 LYS A CD 1 ATOM 24 C CE . LYS A 1 3 ? -25.058 7.192 -7.350 1.00 44.72 ? 3 LYS A CE 1 ATOM 25 N NZ . LYS A 1 3 ? -23.946 7.055 -6.369 1.00 46.25 ? 3 LYS A NZ 1 ATOM 26 N N . LEU A 1 4 ? -22.997 11.084 -12.340 1.00 13.34 ? 4 LEU A N 1 ATOM 27 C CA . LEU A 1 4 ? -23.115 11.392 -13.775 1.00 13.13 ? 4 LEU A CA 1 ATOM 28 C C . LEU A 1 4 ? -22.936 10.063 -14.498 1.00 17.03 ? 4 LEU A C 1 ATOM 29 O O . LEU A 1 4 ? -21.857 9.464 -14.409 1.00 17.01 ? 4 LEU A O 1 ATOM 30 C CB . LEU A 1 4 ? -22.050 12.418 -14.242 1.00 13.59 ? 4 LEU A CB 1 ATOM 31 C CG . LEU A 1 4 ? -22.219 13.856 -13.744 1.00 18.46 ? 4 LEU A CG 1 ATOM 32 C CD1 . LEU A 1 4 ? -21.072 14.738 -14.253 1.00 18.74 ? 4 LEU A CD1 1 ATOM 33 C CD2 . LEU A 1 4 ? -23.508 14.445 -14.265 1.00 23.89 ? 4 LEU A CD2 1 ATOM 34 N N . GLN A 1 5 ? -24.009 9.569 -15.151 1.00 14.15 ? 5 GLN A N 1 ATOM 35 C CA . GLN A 1 5 ? -24.007 8.257 -15.827 1.00 14.49 ? 5 GLN A CA 1 ATOM 36 C C . GLN A 1 5 ? -24.020 8.446 -17.335 1.00 14.98 ? 5 GLN A C 1 ATOM 37 O O . GLN A 1 5 ? -24.986 8.967 -17.889 1.00 13.58 ? 5 GLN A O 1 ATOM 38 C CB . GLN A 1 5 ? -25.202 7.388 -15.365 1.00 16.45 ? 5 GLN A CB 1 ATOM 39 C CG . GLN A 1 5 ? -25.343 6.034 -16.121 1.00 20.24 ? 5 GLN A CG 1 ATOM 40 C CD . GLN A 1 5 ? -24.267 4.993 -15.843 1.00 36.27 ? 5 GLN A CD 1 ATOM 41 O OE1 . GLN A 1 5 ? -23.549 5.027 -14.832 1.00 29.19 ? 5 GLN A OE1 1 ATOM 42 N NE2 . GLN A 1 5 ? -24.133 4.031 -16.748 1.00 30.23 ? 5 GLN A NE2 1 ATOM 43 N N . GLN A 1 6 ? -22.943 8.019 -17.996 1.00 11.43 ? 6 GLN A N 1 ATOM 44 C CA . GLN A 1 6 ? -22.829 8.156 -19.444 1.00 10.64 ? 6 GLN A CA 1 ATOM 45 C C . GLN A 1 6 ? -23.319 6.898 -20.172 1.00 17.72 ? 6 GLN A C 1 ATOM 46 O O . GLN A 1 6 ? -23.329 5.811 -19.594 1.00 17.60 ? 6 GLN A O 1 ATOM 47 C CB . GLN A 1 6 ? -21.388 8.509 -19.851 1.00 11.25 ? 6 GLN A CB 1 ATOM 48 C CG . GLN A 1 6 ? -21.015 9.917 -19.420 1.00 14.15 ? 6 GLN A CG 1 ATOM 49 C CD . GLN A 1 6 ? -19.633 10.304 -19.871 1.00 11.54 ? 6 GLN A CD 1 ATOM 50 O OE1 . GLN A 1 6 ? -18.717 10.424 -19.065 1.00 10.75 ? 6 GLN A OE1 1 ATOM 51 N NE2 . GLN A 1 6 ? -19.484 10.606 -21.157 1.00 12.41 ? 6 GLN A NE2 1 ATOM 52 N N . SER A 1 7 ? -23.769 7.076 -21.438 1.00 14.63 ? 7 SER A N 1 ATOM 53 C CA . SER A 1 7 ? -24.247 6.022 -22.338 1.00 12.84 ? 7 SER A CA 1 ATOM 54 C C . SER A 1 7 ? -23.057 5.120 -22.738 1.00 15.92 ? 7 SER A C 1 ATOM 55 O O . SER A 1 7 ? -21.902 5.466 -22.495 1.00 12.75 ? 7 SER A O 1 ATOM 56 C CB . SER A 1 7 ? -24.942 6.638 -23.547 1.00 14.60 ? 7 SER A CB 1 ATOM 57 O OG . SER A 1 7 ? -24.166 7.706 -24.074 1.00 19.96 ? 7 SER A OG 1 ATOM 58 N N . GLY A 1 8 ? -23.356 3.932 -23.248 1.00 13.52 ? 8 GLY A N 1 ATOM 59 C CA . GLY A 1 8 ? -22.352 2.923 -23.558 1.00 12.65 ? 8 GLY A CA 1 ATOM 60 C C . GLY A 1 8 ? -21.529 3.222 -24.787 1.00 17.17 ? 8 GLY A C 1 ATOM 61 O O . GLY A 1 8 ? -21.793 4.198 -25.498 1.00 17.18 ? 8 GLY A O 1 ATOM 62 N N . ALA A 1 9 ? -20.575 2.324 -25.078 1.00 14.63 ? 9 ALA A N 1 ATOM 63 C CA . ALA A 1 9 ? -19.663 2.413 -26.220 1.00 14.64 ? 9 ALA A CA 1 ATOM 64 C C . ALA A 1 9 ? -20.395 2.578 -27.570 1.00 18.26 ? 9 ALA A C 1 ATOM 65 O O . ALA A 1 9 ? -21.433 1.944 -27.816 1.00 17.89 ? 9 ALA A O 1 ATOM 66 C CB . ALA A 1 9 ? -18.761 1.182 -26.259 1.00 15.61 ? 9 ALA A CB 1 ATOM 67 N N . GLU A 1 10 ? -19.847 3.433 -28.422 1.00 13.92 ? 10 GLU A N 1 ATOM 68 C CA . GLU A 1 10 ? -20.379 3.724 -29.763 1.00 13.60 ? 10 GLU A CA 1 ATOM 69 C C . GLU A 1 10 ? -19.472 3.180 -30.853 1.00 16.68 ? 10 GLU A C 1 ATOM 70 O O . GLU A 1 10 ? -18.269 3.369 -30.792 1.00 16.07 ? 10 GLU A O 1 ATOM 71 C CB . GLU A 1 10 ? -20.513 5.240 -29.956 1.00 14.86 ? 10 GLU A CB 1 ATOM 72 C CG . GLU A 1 10 ? -21.577 5.905 -29.100 1.00 17.94 ? 10 GLU A CG 1 ATOM 73 C CD . GLU A 1 10 ? -23.031 5.768 -29.517 1.00 37.00 ? 10 GLU A CD 1 ATOM 74 O OE1 . GLU A 1 10 ? -23.293 5.185 -30.592 1.00 26.82 ? 10 GLU A OE1 1 ATOM 75 O OE2 . GLU A 1 10 ? -23.911 6.271 -28.780 1.00 36.54 ? 10 GLU A OE2 1 ATOM 76 N N . LEU A 1 11 ? -20.058 2.540 -31.881 1.00 14.17 ? 11 LEU A N 1 ATOM 77 C CA . LEU A 1 11 ? -19.344 2.058 -33.065 1.00 15.42 ? 11 LEU A CA 1 ATOM 78 C C . LEU A 1 11 ? -20.047 2.747 -34.234 1.00 21.43 ? 11 LEU A C 1 ATOM 79 O O . LEU A 1 11 ? -21.273 2.664 -34.341 1.00 21.62 ? 11 LEU A O 1 ATOM 80 C CB . LEU A 1 11 ? -19.395 0.520 -33.198 1.00 14.88 ? 11 LEU A CB 1 ATOM 81 C CG . LEU A 1 11 ? -18.934 -0.281 -31.969 1.00 19.53 ? 11 LEU A CG 1 ATOM 82 C CD1 . LEU A 1 11 ? -19.348 -1.728 -32.074 1.00 20.59 ? 11 LEU A CD1 1 ATOM 83 C CD2 . LEU A 1 11 ? -17.423 -0.134 -31.725 1.00 18.96 ? 11 LEU A CD2 1 ATOM 84 N N . ALA A 1 12 ? -19.309 3.501 -35.039 1.00 17.47 ? 12 ALA A N 1 ATOM 85 C CA . ALA A 1 12 ? -19.945 4.230 -36.133 1.00 18.03 ? 12 ALA A CA 1 ATOM 86 C C . ALA A 1 12 ? -19.143 4.301 -37.393 1.00 21.93 ? 12 ALA A C 1 ATOM 87 O O . ALA A 1 12 ? -17.902 4.364 -37.378 1.00 21.20 ? 12 ALA A O 1 ATOM 88 C CB . ALA A 1 12 ? -20.335 5.633 -35.691 1.00 19.46 ? 12 ALA A CB 1 ATOM 89 N N . ARG A 1 13 ? -19.862 4.312 -38.508 1.00 18.13 ? 13 ARG A N 1 ATOM 90 C CA . ARG A 1 13 ? -19.235 4.412 -39.802 1.00 18.84 ? 13 ARG A CA 1 ATOM 91 C C . ARG A 1 13 ? -18.751 5.828 -40.093 1.00 21.53 ? 13 ARG A C 1 ATOM 92 O O . ARG A 1 13 ? -19.366 6.787 -39.629 1.00 19.97 ? 13 ARG A O 1 ATOM 93 C CB . ARG A 1 13 ? -20.215 3.931 -40.896 1.00 21.27 ? 13 ARG A CB 1 ATOM 94 C CG . ARG A 1 13 ? -20.363 2.413 -40.947 1.00 32.83 ? 13 ARG A CG 1 ATOM 95 C CD . ARG A 1 13 ? -21.752 1.968 -41.386 1.00 52.78 ? 13 ARG A CD 1 ATOM 96 N NE . ARG A 1 13 ? -22.185 2.613 -42.628 1.00 71.25 ? 13 ARG A NE 1 ATOM 97 C CZ . ARG A 1 13 ? -23.228 3.436 -42.728 1.00 91.16 ? 13 ARG A CZ 1 ATOM 98 N NH1 . ARG A 1 13 ? -23.975 3.706 -41.663 1.00 78.19 ? 13 ARG A NH1 1 ATOM 99 N NH2 . ARG A 1 13 ? -23.535 3.988 -43.893 1.00 81.90 ? 13 ARG A NH2 1 ATOM 100 N N . PRO A 1 14 ? -17.687 5.983 -40.913 1.00 19.66 ? 14 PRO A N 1 ATOM 101 C CA . PRO A 1 14 ? -17.238 7.334 -41.298 1.00 19.97 ? 14 PRO A CA 1 ATOM 102 C C . PRO A 1 14 ? -18.334 8.146 -42.001 1.00 24.55 ? 14 PRO A C 1 ATOM 103 O O . PRO A 1 14 ? -19.126 7.591 -42.778 1.00 23.51 ? 14 PRO A O 1 ATOM 104 C CB . PRO A 1 14 ? -16.066 7.044 -42.237 1.00 21.82 ? 14 PRO A CB 1 ATOM 105 C CG . PRO A 1 14 ? -15.583 5.681 -41.808 1.00 24.86 ? 14 PRO A CG 1 ATOM 106 C CD . PRO A 1 14 ? -16.830 4.947 -41.523 1.00 20.37 ? 14 PRO A CD 1 ATOM 107 N N . GLY A 1 15 ? -18.431 9.431 -41.641 1.00 20.50 ? 15 GLY A N 1 ATOM 108 C CA . GLY A 1 15 ? -19.410 10.374 -42.177 1.00 19.17 ? 15 GLY A CA 1 ATOM 109 C C . GLY A 1 15 ? -20.757 10.353 -41.486 1.00 23.89 ? 15 GLY A C 1 ATOM 110 O O . GLY A 1 15 ? -21.623 11.176 -41.800 1.00 24.28 ? 15 GLY A O 1 ATOM 111 N N . THR A 1 16 ? -20.966 9.419 -40.543 1.00 18.95 ? 16 THR A N 1 ATOM 112 C CA . THR A 1 16 ? -22.240 9.353 -39.814 1.00 18.55 ? 16 THR A CA 1 ATOM 113 C C . THR A 1 16 ? -22.158 10.254 -38.551 1.00 22.11 ? 16 THR A C 1 ATOM 114 O O . THR A 1 16 ? -21.210 11.011 -38.386 1.00 21.50 ? 16 THR A O 1 ATOM 115 C CB . THR A 1 16 ? -22.635 7.891 -39.468 1.00 23.56 ? 16 THR A CB 1 ATOM 116 O OG1 . THR A 1 16 ? -21.747 7.379 -38.467 1.00 23.24 ? 16 THR A OG1 1 ATOM 117 C CG2 . THR A 1 16 ? -22.662 6.962 -40.694 1.00 20.12 ? 16 THR A CG2 1 ATOM 118 N N . SER A 1 17 ? -23.176 10.201 -37.711 1.00 17.65 ? 17 SER A N 1 ATOM 119 C CA . SER A 1 17 ? -23.235 10.956 -36.473 1.00 18.49 ? 17 SER A CA 1 ATOM 120 C C . SER A 1 17 ? -23.628 10.037 -35.312 1.00 22.34 ? 17 SER A C 1 ATOM 121 O O . SER A 1 17 ? -24.275 9.017 -35.535 1.00 22.08 ? 17 SER A O 1 ATOM 122 C CB . SER A 1 17 ? -24.189 12.145 -36.600 1.00 22.68 ? 17 SER A CB 1 ATOM 123 O OG . SER A 1 17 ? -25.543 11.740 -36.544 1.00 39.13 ? 17 SER A OG 1 ATOM 124 N N . VAL A 1 18 ? -23.228 10.396 -34.086 1.00 17.61 ? 18 VAL A N 1 ATOM 125 C CA . VAL A 1 18 ? -23.590 9.663 -32.862 1.00 17.78 ? 18 VAL A CA 1 ATOM 126 C C . VAL A 1 18 ? -24.082 10.694 -31.876 1.00 19.56 ? 18 VAL A C 1 ATOM 127 O O . VAL A 1 18 ? -23.657 11.850 -31.956 1.00 17.64 ? 18 VAL A O 1 ATOM 128 C CB . VAL A 1 18 ? -22.454 8.796 -32.222 1.00 21.09 ? 18 VAL A CB 1 ATOM 129 C CG1 . VAL A 1 18 ? -22.149 7.542 -33.050 1.00 20.69 ? 18 VAL A CG1 1 ATOM 130 C CG2 . VAL A 1 18 ? -21.184 9.604 -31.913 1.00 20.29 ? 18 VAL A CG2 1 ATOM 131 N N . LYS A 1 19 ? -24.957 10.293 -30.956 1.00 13.87 ? 19 LYS A N 1 ATOM 132 C CA . LYS A 1 19 ? -25.436 11.201 -29.917 1.00 13.54 ? 19 LYS A CA 1 ATOM 133 C C . LYS A 1 19 ? -25.173 10.542 -28.561 1.00 17.99 ? 19 LYS A C 1 ATOM 134 O O . LYS A 1 19 ? -25.755 9.496 -28.243 1.00 18.93 ? 19 LYS A O 1 ATOM 135 C CB . LYS A 1 19 ? -26.898 11.562 -30.125 1.00 14.79 ? 19 LYS A CB 1 ATOM 136 C CG . LYS A 1 19 ? -27.474 12.556 -29.133 1.00 18.43 ? 19 LYS A CG 1 ATOM 137 C CD . LYS A 1 19 ? -28.901 12.857 -29.576 1.00 27.12 ? 19 LYS A CD 1 ATOM 138 C CE . LYS A 1 19 ? -29.497 14.060 -28.929 1.00 32.39 ? 19 LYS A CE 1 ATOM 139 N NZ . LYS A 1 19 ? -30.838 14.361 -29.486 1.00 31.21 ? 19 LYS A NZ 1 ATOM 140 N N . LEU A 1 20 ? -24.233 11.112 -27.807 1.00 13.07 ? 20 LEU A N 1 ATOM 141 C CA . LEU A 1 20 ? -23.841 10.631 -26.490 1.00 12.47 ? 20 LEU A CA 1 ATOM 142 C C . LEU A 1 20 ? -24.688 11.266 -25.411 1.00 14.89 ? 20 LEU A C 1 ATOM 143 O O . LEU A 1 20 ? -25.057 12.423 -25.532 1.00 14.71 ? 20 LEU A O 1 ATOM 144 C CB . LEU A 1 20 ? -22.362 10.955 -26.209 1.00 13.79 ? 20 LEU A CB 1 ATOM 145 C CG . LEU A 1 20 ? -21.295 10.662 -27.288 1.00 19.80 ? 20 LEU A CG 1 ATOM 146 C CD1 . LEU A 1 20 ? -19.910 10.741 -26.667 1.00 18.52 ? 20 LEU A CD1 1 ATOM 147 C CD2 . LEU A 1 20 ? -21.501 9.333 -27.978 1.00 22.52 ? 20 LEU A CD2 1 ATOM 148 N N . SER A 1 21 ? -24.998 10.518 -24.342 1.00 12.92 ? 21 SER A N 1 ATOM 149 C CA . SER A 1 21 ? -25.811 11.073 -23.262 1.00 12.21 ? 21 SER A CA 1 ATOM 150 C C . SER A 1 21 ? -25.115 11.029 -21.906 1.00 13.55 ? 21 SER A C 1 ATOM 151 O O . SER A 1 21 ? -24.245 10.188 -21.666 1.00 13.09 ? 21 SER A O 1 ATOM 152 C CB . SER A 1 21 ? -27.178 10.391 -23.193 1.00 15.99 ? 21 SER A CB 1 ATOM 153 O OG . SER A 1 21 ? -27.054 9.122 -22.580 1.00 22.59 ? 21 SER A OG 1 ATOM 154 N N . CYS A 1 22 ? -25.496 11.941 -21.032 1.00 11.91 ? 22 CYS A N 1 ATOM 155 C CA . CYS A 1 22 ? -24.950 12.007 -19.690 1.00 13.21 ? 22 CYS A CA 1 ATOM 156 C C . CYS A 1 22 ? -26.117 12.374 -18.767 1.00 19.04 ? 22 CYS A C 1 ATOM 157 O O . CYS A 1 22 ? -26.609 13.499 -18.812 1.00 17.89 ? 22 CYS A O 1 ATOM 158 C CB . CYS A 1 22 ? -23.825 13.035 -19.628 1.00 15.39 ? 22 CYS A CB 1 ATOM 159 S SG . CYS A 1 22 ? -23.152 13.287 -17.969 1.00 20.22 ? 22 CYS A SG 1 ATOM 160 N N . LYS A 1 23 ? -26.565 11.405 -17.951 1.00 15.57 ? 23 LYS A N 1 ATOM 161 C CA . LYS A 1 23 ? -27.693 11.602 -17.051 1.00 15.44 ? 23 LYS A CA 1 ATOM 162 C C . LYS A 1 23 ? -27.221 11.976 -15.656 1.00 16.71 ? 23 LYS A C 1 ATOM 163 O O . LYS A 1 23 ? -26.493 11.218 -15.015 1.00 15.86 ? 23 LYS A O 1 ATOM 164 C CB . LYS A 1 23 ? -28.577 10.328 -16.996 1.00 18.29 ? 23 LYS A CB 1 ATOM 165 C CG . LYS A 1 23 ? -29.706 10.451 -15.967 1.00 27.21 ? 23 LYS A CG 1 ATOM 166 C CD . LYS A 1 23 ? -30.744 9.338 -16.056 1.00 39.35 ? 23 LYS A CD 1 ATOM 167 C CE . LYS A 1 23 ? -32.151 9.850 -15.801 1.00 56.71 ? 23 LYS A CE 1 ATOM 168 N NZ . LYS A 1 23 ? -32.277 10.577 -14.500 1.00 67.30 ? 23 LYS A NZ 1 ATOM 169 N N . ALA A 1 24 ? -27.707 13.097 -15.168 1.00 14.25 ? 24 ALA A N 1 ATOM 170 C CA . ALA A 1 24 ? -27.349 13.589 -13.851 1.00 15.36 ? 24 ALA A CA 1 ATOM 171 C C . ALA A 1 24 ? -28.348 13.172 -12.762 1.00 19.42 ? 24 ALA A C 1 ATOM 172 O O . ALA A 1 24 ? -29.553 13.197 -12.995 1.00 19.82 ? 24 ALA A O 1 ATOM 173 C CB . ALA A 1 24 ? -27.257 15.103 -13.892 1.00 16.18 ? 24 ALA A CB 1 ATOM 174 N N . SER A 1 25 ? -27.832 12.819 -11.580 1.00 17.36 ? 25 SER A N 1 ATOM 175 C CA A SER A 1 25 ? -28.638 12.447 -10.412 0.50 17.02 ? 25 SER A CA 1 ATOM 176 C CA B SER A 1 25 ? -28.663 12.492 -10.420 0.50 16.28 ? 25 SER A CA 1 ATOM 177 C C . SER A 1 25 ? -28.014 13.012 -9.149 1.00 19.51 ? 25 SER A C 1 ATOM 178 O O . SER A 1 25 ? -26.798 13.225 -9.120 1.00 17.47 ? 25 SER A O 1 ATOM 179 C CB A SER A 1 25 ? -28.743 10.926 -10.290 0.50 19.66 ? 25 SER A CB 1 ATOM 180 C CB B SER A 1 25 ? -28.953 10.991 -10.336 0.50 16.58 ? 25 SER A CB 1 ATOM 181 O OG A SER A 1 25 ? -29.382 10.354 -11.417 0.50 27.15 ? 25 SER A OG 1 ATOM 182 O OG B SER A 1 25 ? -27.790 10.219 -10.093 0.50 15.00 ? 25 SER A OG 1 ATOM 183 N N . GLY A 1 26 ? -28.852 13.241 -8.127 1.00 16.72 ? 26 GLY A N 1 ATOM 184 C CA . GLY A 1 26 ? -28.436 13.708 -6.811 1.00 16.90 ? 26 GLY A CA 1 ATOM 185 C C . GLY A 1 26 ? -28.193 15.190 -6.612 1.00 18.83 ? 26 GLY A C 1 ATOM 186 O O . GLY A 1 26 ? -27.690 15.571 -5.559 1.00 17.22 ? 26 GLY A O 1 ATOM 187 N N . TYR A 1 27 ? -28.506 16.035 -7.620 1.00 15.62 ? 27 TYR A N 1 ATOM 188 C CA . TYR A 1 27 ? -28.314 17.495 -7.543 1.00 14.98 ? 27 TYR A CA 1 ATOM 189 C C . TYR A 1 27 ? -29.281 18.231 -8.436 1.00 19.36 ? 27 TYR A C 1 ATOM 190 O O . TYR A 1 27 ? -29.970 17.580 -9.225 1.00 19.05 ? 27 TYR A O 1 ATOM 191 C CB . TYR A 1 27 ? -26.860 17.888 -7.865 1.00 14.97 ? 27 TYR A CB 1 ATOM 192 C CG . TYR A 1 27 ? -26.405 17.650 -9.287 1.00 14.44 ? 27 TYR A CG 1 ATOM 193 C CD1 . TYR A 1 27 ? -25.888 16.416 -9.679 1.00 17.01 ? 27 TYR A CD1 1 ATOM 194 C CD2 . TYR A 1 27 ? -26.367 18.695 -10.211 1.00 13.69 ? 27 TYR A CD2 1 ATOM 195 C CE1 . TYR A 1 27 ? -25.377 16.221 -10.962 1.00 14.19 ? 27 TYR A CE1 1 ATOM 196 C CE2 . TYR A 1 27 ? -25.857 18.512 -11.492 1.00 12.76 ? 27 TYR A CE2 1 ATOM 197 C CZ . TYR A 1 27 ? -25.333 17.286 -11.850 1.00 16.65 ? 27 TYR A CZ 1 ATOM 198 O OH . TYR A 1 27 ? -24.811 17.141 -13.104 1.00 16.52 ? 27 TYR A OH 1 ATOM 199 N N . THR A 1 28 ? -29.369 19.577 -8.285 1.00 16.06 ? 28 THR A N 1 ATOM 200 C CA . THR A 1 28 ? -30.230 20.436 -9.095 1.00 15.44 ? 28 THR A CA 1 ATOM 201 C C . THR A 1 28 ? -29.537 20.637 -10.453 1.00 17.78 ? 28 THR A C 1 ATOM 202 O O . THR A 1 28 ? -28.619 21.459 -10.581 1.00 15.08 ? 28 THR A O 1 ATOM 203 C CB . THR A 1 28 ? -30.500 21.786 -8.379 1.00 23.66 ? 28 THR A CB 1 ATOM 204 O OG1 . THR A 1 28 ? -30.992 21.540 -7.052 1.00 21.27 ? 28 THR A OG1 1 ATOM 205 C CG2 . THR A 1 28 ? -31.484 22.685 -9.159 1.00 15.88 ? 28 THR A CG2 1 ATOM 206 N N . PHE A 1 29 ? -30.011 19.894 -11.461 1.00 15.69 ? 29 PHE A N 1 ATOM 207 C CA . PHE A 1 29 ? -29.528 19.907 -12.853 1.00 14.24 ? 29 PHE A CA 1 ATOM 208 C C . PHE A 1 29 ? -29.342 21.305 -13.433 1.00 17.64 ? 29 PHE A C 1 ATOM 209 O O . PHE A 1 29 ? -28.338 21.586 -14.103 1.00 17.01 ? 29 PHE A O 1 ATOM 210 C CB . PHE A 1 29 ? -30.514 19.094 -13.720 1.00 15.40 ? 29 PHE A CB 1 ATOM 211 C CG . PHE A 1 29 ? -29.990 18.760 -15.093 1.00 15.20 ? 29 PHE A CG 1 ATOM 212 C CD1 . PHE A 1 29 ? -28.824 18.022 -15.248 1.00 16.53 ? 29 PHE A CD1 1 ATOM 213 C CD2 . PHE A 1 29 ? -30.687 19.142 -16.230 1.00 15.54 ? 29 PHE A CD2 1 ATOM 214 C CE1 . PHE A 1 29 ? -28.331 17.718 -16.522 1.00 17.54 ? 29 PHE A CE1 1 ATOM 215 C CE2 . PHE A 1 29 ? -30.215 18.800 -17.503 1.00 17.84 ? 29 PHE A CE2 1 ATOM 216 C CZ . PHE A 1 29 ? -29.026 18.117 -17.641 1.00 15.95 ? 29 PHE A CZ 1 ATOM 217 N N . THR A 1 30 ? -30.306 22.195 -13.154 1.00 15.52 ? 30 THR A N 1 ATOM 218 C CA . THR A 1 30 ? -30.316 23.557 -13.654 1.00 14.73 ? 30 THR A CA 1 ATOM 219 C C . THR A 1 30 ? -29.367 24.487 -12.918 1.00 15.11 ? 30 THR A C 1 ATOM 220 O O . THR A 1 30 ? -29.312 25.650 -13.288 1.00 16.12 ? 30 THR A O 1 ATOM 221 C CB . THR A 1 30 ? -31.741 24.133 -13.686 1.00 23.91 ? 30 THR A CB 1 ATOM 222 O OG1 . THR A 1 30 ? -32.327 23.912 -12.405 1.00 25.23 ? 30 THR A OG1 1 ATOM 223 C CG2 . THR A 1 30 ? -32.582 23.514 -14.769 1.00 23.67 ? 30 THR A CG2 1 ATOM 224 N N . ASN A 1 31 ? -28.633 24.024 -11.897 1.00 10.87 ? 31 ASN A N 1 ATOM 225 C CA . ASN A 1 31 ? -27.649 24.907 -11.236 1.00 10.76 ? 31 ASN A CA 1 ATOM 226 C C . ASN A 1 31 ? -26.247 24.677 -11.786 1.00 14.25 ? 31 ASN A C 1 ATOM 227 O O . ASN A 1 31 ? -25.274 25.214 -11.238 1.00 14.00 ? 31 ASN A O 1 ATOM 228 C CB . ASN A 1 31 ? -27.643 24.723 -9.702 1.00 12.98 ? 31 ASN A CB 1 ATOM 229 C CG . ASN A 1 31 ? -28.713 25.559 -9.037 1.00 30.40 ? 31 ASN A CG 1 ATOM 230 O OD1 . ASN A 1 31 ? -29.444 26.320 -9.694 1.00 21.29 ? 31 ASN A OD1 1 ATOM 231 N ND2 . ASN A 1 31 ? -28.870 25.384 -7.737 1.00 21.65 ? 31 ASN A ND2 1 ATOM 232 N N . TYR A 1 32 ? -26.139 23.867 -12.836 1.00 10.10 ? 32 TYR A N 1 ATOM 233 C CA . TYR A 1 32 ? -24.841 23.477 -13.414 1.00 10.10 ? 32 TYR A CA 1 ATOM 234 C C . TYR A 1 32 ? -24.794 23.545 -14.923 1.00 14.01 ? 32 TYR A C 1 ATOM 235 O O . TYR A 1 32 ? -25.810 23.388 -15.575 1.00 13.83 ? 32 TYR A O 1 ATOM 236 C CB . TYR A 1 32 ? -24.490 22.052 -12.958 1.00 11.10 ? 32 TYR A CB 1 ATOM 237 C CG . TYR A 1 32 ? -24.138 21.986 -11.485 1.00 14.43 ? 32 TYR A CG 1 ATOM 238 C CD1 . TYR A 1 32 ? -25.131 21.930 -10.512 1.00 16.80 ? 32 TYR A CD1 1 ATOM 239 C CD2 . TYR A 1 32 ? -22.816 22.046 -11.062 1.00 16.32 ? 32 TYR A CD2 1 ATOM 240 C CE1 . TYR A 1 32 ? -24.813 21.920 -9.150 1.00 19.34 ? 32 TYR A CE1 1 ATOM 241 C CE2 . TYR A 1 32 ? -22.487 22.027 -9.704 1.00 17.71 ? 32 TYR A CE2 1 ATOM 242 C CZ . TYR A 1 32 ? -23.491 21.987 -8.755 1.00 24.02 ? 32 TYR A CZ 1 ATOM 243 O OH . TYR A 1 32 ? -23.169 21.984 -7.423 1.00 34.70 ? 32 TYR A OH 1 ATOM 244 N N . TRP A 1 33 ? -23.609 23.809 -15.461 1.00 11.71 ? 33 TRP A N 1 ATOM 245 C CA . TRP A 1 33 ? -23.325 23.739 -16.876 1.00 12.58 ? 33 TRP A CA 1 ATOM 246 C C . TRP A 1 33 ? -22.723 22.344 -17.041 1.00 15.15 ? 33 TRP A C 1 ATOM 247 O O . TRP A 1 33 ? -21.811 21.983 -16.278 1.00 13.88 ? 33 TRP A O 1 ATOM 248 C CB . TRP A 1 33 ? -22.264 24.773 -17.256 1.00 12.27 ? 33 TRP A CB 1 ATOM 249 C CG . TRP A 1 33 ? -22.805 26.150 -17.494 1.00 13.75 ? 33 TRP A CG 1 ATOM 250 C CD1 . TRP A 1 33 ? -23.272 27.032 -16.559 1.00 16.53 ? 33 TRP A CD1 1 ATOM 251 C CD2 . TRP A 1 33 ? -23.021 26.764 -18.773 1.00 13.76 ? 33 TRP A CD2 1 ATOM 252 N NE1 . TRP A 1 33 ? -23.626 28.217 -17.170 1.00 15.79 ? 33 TRP A NE1 1 ATOM 253 C CE2 . TRP A 1 33 ? -23.512 28.068 -18.533 1.00 17.37 ? 33 TRP A CE2 1 ATOM 254 C CE3 . TRP A 1 33 ? -22.755 26.369 -20.104 1.00 15.16 ? 33 TRP A CE3 1 ATOM 255 C CZ2 . TRP A 1 33 ? -23.747 28.978 -19.570 1.00 16.73 ? 33 TRP A CZ2 1 ATOM 256 C CZ3 . TRP A 1 33 ? -22.984 27.277 -21.130 1.00 16.83 ? 33 TRP A CZ3 1 ATOM 257 C CH2 . TRP A 1 33 ? -23.499 28.552 -20.862 1.00 17.39 ? 33 TRP A CH2 1 ATOM 258 N N . MET A 1 34 ? -23.209 21.560 -18.014 1.00 9.43 ? 34 MET A N 1 ATOM 259 C CA . MET A 1 34 ? -22.609 20.256 -18.256 1.00 9.25 ? 34 MET A CA 1 ATOM 260 C C . MET A 1 34 ? -21.461 20.430 -19.255 1.00 12.47 ? 34 MET A C 1 ATOM 261 O O . MET A 1 34 ? -21.674 20.886 -20.364 1.00 10.95 ? 34 MET A O 1 ATOM 262 C CB . MET A 1 34 ? -23.615 19.212 -18.782 1.00 11.41 ? 34 MET A CB 1 ATOM 263 C CG . MET A 1 34 ? -23.028 17.798 -18.758 1.00 14.30 ? 34 MET A CG 1 ATOM 264 S SD . MET A 1 34 ? -22.894 17.137 -17.047 1.00 18.32 ? 34 MET A SD 1 ATOM 265 C CE . MET A 1 34 ? -24.603 16.590 -16.839 1.00 15.98 ? 34 MET A CE 1 ATOM 266 N N . GLN A 1 35 ? -20.258 20.042 -18.856 1.00 8.87 ? 35 GLN A N 1 ATOM 267 C CA . GLN A 1 35 ? -19.057 20.115 -19.687 1.00 7.65 ? 35 GLN A CA 1 ATOM 268 C C . GLN A 1 35 ? -18.851 18.802 -20.439 1.00 13.18 ? 35 GLN A C 1 ATOM 269 O O . GLN A 1 35 ? -19.239 17.732 -19.962 1.00 13.23 ? 35 GLN A O 1 ATOM 270 C CB . GLN A 1 35 ? -17.821 20.365 -18.785 1.00 7.07 ? 35 GLN A CB 1 ATOM 271 C CG . GLN A 1 35 ? -18.060 21.404 -17.667 1.00 10.35 ? 35 GLN A CG 1 ATOM 272 C CD . GLN A 1 35 ? -18.194 22.817 -18.192 1.00 11.27 ? 35 GLN A CD 1 ATOM 273 O OE1 . GLN A 1 35 ? -17.411 23.282 -19.019 1.00 12.82 ? 35 GLN A OE1 1 ATOM 274 N NE2 . GLN A 1 35 ? -19.205 23.527 -17.756 1.00 10.96 ? 35 GLN A NE2 1 ATOM 275 N N . TRP A 1 36 ? -18.178 18.876 -21.585 1.00 9.00 ? 36 TRP A N 1 ATOM 276 C CA . TRP A 1 36 ? -17.808 17.706 -22.374 1.00 8.53 ? 36 TRP A CA 1 ATOM 277 C C . TRP A 1 36 ? -16.325 17.805 -22.669 1.00 11.08 ? 36 TRP A C 1 ATOM 278 O O . TRP A 1 36 ? -15.843 18.875 -23.034 1.00 9.50 ? 36 TRP A O 1 ATOM 279 C CB . TRP A 1 36 ? -18.636 17.620 -23.669 1.00 7.92 ? 36 TRP A CB 1 ATOM 280 C CG . TRP A 1 36 ? -20.078 17.283 -23.401 1.00 9.60 ? 36 TRP A CG 1 ATOM 281 C CD1 . TRP A 1 36 ? -21.090 18.157 -23.143 1.00 12.56 ? 36 TRP A CD1 1 ATOM 282 C CD2 . TRP A 1 36 ? -20.636 15.971 -23.267 1.00 9.59 ? 36 TRP A CD2 1 ATOM 283 N NE1 . TRP A 1 36 ? -22.270 17.470 -22.965 1.00 11.66 ? 36 TRP A NE1 1 ATOM 284 C CE2 . TRP A 1 36 ? -22.008 16.125 -22.983 1.00 13.25 ? 36 TRP A CE2 1 ATOM 285 C CE3 . TRP A 1 36 ? -20.113 14.667 -23.399 1.00 11.15 ? 36 TRP A CE3 1 ATOM 286 C CZ2 . TRP A 1 36 ? -22.873 15.029 -22.841 1.00 12.68 ? 36 TRP A CZ2 1 ATOM 287 C CZ3 . TRP A 1 36 ? -20.979 13.588 -23.267 1.00 12.83 ? 36 TRP A CZ3 1 ATOM 288 C CH2 . TRP A 1 36 ? -22.334 13.779 -22.959 1.00 12.80 ? 36 TRP A CH2 1 ATOM 289 N N . ILE A 1 37 ? -15.599 16.686 -22.515 1.00 7.43 ? 37 ILE A N 1 ATOM 290 C CA . ILE A 1 37 ? -14.150 16.650 -22.698 1.00 7.42 ? 37 ILE A CA 1 ATOM 291 C C . ILE A 1 37 ? -13.801 15.405 -23.538 1.00 9.73 ? 37 ILE A C 1 ATOM 292 O O . ILE A 1 37 ? -14.357 14.325 -23.323 1.00 10.53 ? 37 ILE A O 1 ATOM 293 C CB . ILE A 1 37 ? -13.450 16.626 -21.289 1.00 9.97 ? 37 ILE A CB 1 ATOM 294 C CG1 . ILE A 1 37 ? -13.864 17.836 -20.384 1.00 9.76 ? 37 ILE A CG1 1 ATOM 295 C CG2 . ILE A 1 37 ? -11.927 16.523 -21.405 1.00 10.67 ? 37 ILE A CG2 1 ATOM 296 C CD1 . ILE A 1 37 ? -15.012 17.507 -19.409 1.00 15.75 ? 37 ILE A CD1 1 ATOM 297 N N . LYS A 1 38 ? -12.858 15.559 -24.430 1.00 7.37 ? 38 LYS A N 1 ATOM 298 C CA . LYS A 1 38 ? -12.386 14.477 -25.282 1.00 8.28 ? 38 LYS A CA 1 ATOM 299 C C . LYS A 1 38 ? -11.009 14.028 -24.816 1.00 12.79 ? 38 LYS A C 1 ATOM 300 O O . LYS A 1 38 ? -10.152 14.859 -24.469 1.00 12.56 ? 38 LYS A O 1 ATOM 301 C CB . LYS A 1 38 ? -12.332 14.959 -26.747 1.00 8.88 ? 38 LYS A CB 1 ATOM 302 C CG . LYS A 1 38 ? -11.689 13.995 -27.775 1.00 10.18 ? 38 LYS A CG 1 ATOM 303 C CD . LYS A 1 38 ? -11.692 14.663 -29.161 1.00 11.11 ? 38 LYS A CD 1 ATOM 304 C CE . LYS A 1 38 ? -11.076 13.788 -30.243 1.00 12.56 ? 38 LYS A CE 1 ATOM 305 N NZ . LYS A 1 38 ? -11.156 14.457 -31.584 1.00 13.42 ? 38 LYS A NZ 1 ATOM 306 N N . GLN A 1 39 ? -10.776 12.723 -24.915 1.00 11.13 ? 39 GLN A N 1 ATOM 307 C CA . GLN A 1 39 ? -9.475 12.144 -24.618 1.00 10.35 ? 39 GLN A CA 1 ATOM 308 C C . GLN A 1 39 ? -9.134 11.096 -25.654 1.00 13.91 ? 39 GLN A C 1 ATOM 309 O O . GLN A 1 39 ? -9.725 10.021 -25.656 1.00 11.72 ? 39 GLN A O 1 ATOM 310 C CB . GLN A 1 39 ? -9.437 11.574 -23.187 1.00 10.18 ? 39 GLN A CB 1 ATOM 311 C CG . GLN A 1 39 ? -8.042 11.020 -22.854 1.00 12.08 ? 39 GLN A CG 1 ATOM 312 C CD . GLN A 1 39 ? -7.895 10.796 -21.385 1.00 17.06 ? 39 GLN A CD 1 ATOM 313 O OE1 . GLN A 1 39 ? -8.758 10.196 -20.780 1.00 17.39 ? 39 GLN A OE1 1 ATOM 314 N NE2 . GLN A 1 39 ? -6.769 11.217 -20.790 1.00 10.50 ? 39 GLN A NE2 1 ATOM 315 N N . ARG A 1 40 ? -8.183 11.417 -26.545 1.00 15.48 ? 40 ARG A N 1 ATOM 316 C CA . ARG A 1 40 ? -7.735 10.476 -27.568 1.00 17.52 ? 40 ARG A CA 1 ATOM 317 C C . ARG A 1 40 ? -6.749 9.459 -26.977 1.00 27.90 ? 40 ARG A C 1 ATOM 318 O O . ARG A 1 40 ? -6.073 9.795 -25.992 1.00 26.12 ? 40 ARG A O 1 ATOM 319 C CB . ARG A 1 40 ? -7.214 11.182 -28.830 1.00 17.91 ? 40 ARG A CB 1 ATOM 320 C CG . ARG A 1 40 ? -8.297 11.214 -29.896 1.00 28.72 ? 40 ARG A CG 1 ATOM 321 C CD . ARG A 1 40 ? -7.949 11.884 -31.214 1.00 35.71 ? 40 ARG A CD 1 ATOM 322 N NE . ARG A 1 40 ? -6.992 11.156 -32.062 1.00 45.22 ? 40 ARG A NE 1 ATOM 323 C CZ . ARG A 1 40 ? -7.250 10.061 -32.787 1.00 58.62 ? 40 ARG A CZ 1 ATOM 324 N NH1 . ARG A 1 40 ? -8.438 9.461 -32.714 1.00 28.26 ? 40 ARG A NH1 1 ATOM 325 N NH2 . ARG A 1 40 ? -6.304 9.529 -33.548 1.00 49.83 ? 40 ARG A NH2 1 ATOM 326 N N . PRO A 1 41 ? -6.715 8.193 -27.512 1.00 29.50 ? 41 PRO A N 1 ATOM 327 C CA . PRO A 1 41 ? -5.836 7.159 -26.933 1.00 30.11 ? 41 PRO A CA 1 ATOM 328 C C . PRO A 1 41 ? -4.395 7.599 -26.711 1.00 36.10 ? 41 PRO A C 1 ATOM 329 O O . PRO A 1 41 ? -3.750 8.150 -27.606 1.00 35.39 ? 41 PRO A O 1 ATOM 330 C CB . PRO A 1 41 ? -5.962 6.001 -27.925 1.00 32.13 ? 41 PRO A CB 1 ATOM 331 C CG . PRO A 1 41 ? -7.342 6.140 -28.457 1.00 36.46 ? 41 PRO A CG 1 ATOM 332 C CD . PRO A 1 41 ? -7.496 7.635 -28.641 1.00 31.50 ? 41 PRO A CD 1 ATOM 333 N N . GLY A 1 42 ? -3.964 7.453 -25.463 1.00 33.94 ? 42 GLY A N 1 ATOM 334 C CA . GLY A 1 42 ? -2.638 7.821 -24.985 1.00 34.08 ? 42 GLY A CA 1 ATOM 335 C C . GLY A 1 42 ? -2.371 9.312 -24.905 1.00 36.29 ? 42 GLY A C 1 ATOM 336 O O . GLY A 1 42 ? -1.256 9.700 -24.560 1.00 36.01 ? 42 GLY A O 1 ATOM 337 N N . GLN A 1 43 ? -3.392 10.162 -25.202 1.00 30.55 ? 43 GLN A N 1 ATOM 338 C CA . GLN A 1 43 ? -3.268 11.624 -25.186 1.00 28.59 ? 43 GLN A CA 1 ATOM 339 C C . GLN A 1 43 ? -3.947 12.309 -23.962 1.00 27.75 ? 43 GLN A C 1 ATOM 340 O O . GLN A 1 43 ? -4.467 11.632 -23.044 1.00 25.06 ? 43 GLN A O 1 ATOM 341 C CB . GLN A 1 43 ? -3.757 12.242 -26.519 1.00 30.47 ? 43 GLN A CB 1 ATOM 342 C CG . GLN A 1 43 ? -2.795 12.059 -27.695 1.00 53.88 ? 43 GLN A CG 1 ATOM 343 C CD . GLN A 1 43 ? -1.407 12.590 -27.405 1.00 73.46 ? 43 GLN A CD 1 ATOM 344 O OE1 . GLN A 1 43 ? -0.488 11.833 -27.094 1.00 68.35 ? 43 GLN A OE1 1 ATOM 345 N NE2 . GLN A 1 43 ? -1.232 13.903 -27.456 1.00 68.75 ? 43 GLN A NE2 1 ATOM 346 N N . GLY A 1 44 ? -3.900 13.647 -23.957 1.00 19.28 ? 44 GLY A N 1 ATOM 347 C CA . GLY A 1 44 ? -4.455 14.416 -22.857 1.00 17.95 ? 44 GLY A CA 1 ATOM 348 C C . GLY A 1 44 ? -5.939 14.692 -22.969 1.00 22.27 ? 44 GLY A C 1 ATOM 349 O O . GLY A 1 44 ? -6.641 14.123 -23.817 1.00 22.63 ? 44 GLY A O 1 ATOM 350 N N . LEU A 1 45 ? -6.422 15.585 -22.099 1.00 15.55 ? 45 LEU A N 1 ATOM 351 C CA . LEU A 1 45 ? -7.816 16.011 -22.045 1.00 13.21 ? 45 LEU A CA 1 ATOM 352 C C . LEU A 1 45 ? -7.989 17.251 -22.905 1.00 17.20 ? 45 LEU A C 1 ATOM 353 O O . LEU A 1 45 ? -7.172 18.178 -22.844 1.00 16.18 ? 45 LEU A O 1 ATOM 354 C CB . LEU A 1 45 ? -8.189 16.324 -20.578 1.00 12.85 ? 45 LEU A CB 1 ATOM 355 C CG . LEU A 1 45 ? -8.048 15.159 -19.580 1.00 16.03 ? 45 LEU A CG 1 ATOM 356 C CD1 . LEU A 1 45 ? -8.276 15.628 -18.171 1.00 15.94 ? 45 LEU A CD1 1 ATOM 357 C CD2 . LEU A 1 45 ? -9.029 14.025 -19.905 1.00 16.68 ? 45 LEU A CD2 1 ATOM 358 N N . GLU A 1 46 ? -9.053 17.282 -23.705 1.00 11.09 ? 46 GLU A N 1 ATOM 359 C CA . GLU A 1 46 ? -9.334 18.448 -24.539 1.00 11.01 ? 46 GLU A CA 1 ATOM 360 C C . GLU A 1 46 ? -10.771 18.922 -24.290 1.00 11.67 ? 46 GLU A C 1 ATOM 361 O O . GLU A 1 46 ? -11.729 18.177 -24.554 1.00 7.70 ? 46 GLU A O 1 ATOM 362 C CB . GLU A 1 46 ? -9.120 18.100 -26.021 1.00 12.61 ? 46 GLU A CB 1 ATOM 363 C CG . GLU A 1 46 ? -9.496 19.239 -26.964 1.00 20.30 ? 46 GLU A CG 1 ATOM 364 C CD . GLU A 1 46 ? -8.897 19.181 -28.361 1.00 42.68 ? 46 GLU A CD 1 ATOM 365 O OE1 . GLU A 1 46 ? -8.557 20.262 -28.893 1.00 38.89 ? 46 GLU A OE1 1 ATOM 366 O OE2 . GLU A 1 46 ? -8.756 18.070 -28.922 1.00 29.57 ? 46 GLU A OE2 1 ATOM 367 N N . TRP A 1 47 ? -10.928 20.156 -23.793 1.00 10.11 ? 47 TRP A N 1 ATOM 368 C CA . TRP A 1 47 ? -12.273 20.671 -23.504 1.00 10.88 ? 47 TRP A CA 1 ATOM 369 C C . TRP A 1 47 ? -13.014 20.928 -24.815 1.00 13.50 ? 47 TRP A C 1 ATOM 370 O O . TRP A 1 47 ? -12.467 21.577 -25.687 1.00 13.01 ? 47 TRP A O 1 ATOM 371 C CB . TRP A 1 47 ? -12.184 21.941 -22.661 1.00 10.74 ? 47 TRP A CB 1 ATOM 372 C CG . TRP A 1 47 ? -13.497 22.416 -22.163 1.00 11.89 ? 47 TRP A CG 1 ATOM 373 C CD1 . TRP A 1 47 ? -14.177 21.959 -21.073 1.00 15.13 ? 47 TRP A CD1 1 ATOM 374 C CD2 . TRP A 1 47 ? -14.259 23.509 -22.686 1.00 12.47 ? 47 TRP A CD2 1 ATOM 375 N NE1 . TRP A 1 47 ? -15.334 22.690 -20.899 1.00 15.11 ? 47 TRP A NE1 1 ATOM 376 C CE2 . TRP A 1 47 ? -15.416 23.637 -21.883 1.00 15.35 ? 47 TRP A CE2 1 ATOM 377 C CE3 . TRP A 1 47 ? -14.061 24.422 -23.741 1.00 13.35 ? 47 TRP A CE3 1 ATOM 378 C CZ2 . TRP A 1 47 ? -16.358 24.652 -22.085 1.00 14.88 ? 47 TRP A CZ2 1 ATOM 379 C CZ3 . TRP A 1 47 ? -15.026 25.393 -23.969 1.00 14.65 ? 47 TRP A CZ3 1 ATOM 380 C CH2 . TRP A 1 47 ? -16.157 25.501 -23.151 1.00 15.31 ? 47 TRP A CH2 1 ATOM 381 N N . ILE A 1 48 ? -14.243 20.406 -24.952 1.00 11.26 ? 48 ILE A N 1 ATOM 382 C CA . ILE A 1 48 ? -15.086 20.548 -26.159 1.00 10.23 ? 48 ILE A CA 1 ATOM 383 C C . ILE A 1 48 ? -15.999 21.756 -26.029 1.00 14.22 ? 48 ILE A C 1 ATOM 384 O O . ILE A 1 48 ? -16.051 22.623 -26.907 1.00 13.01 ? 48 ILE A O 1 ATOM 385 C CB . ILE A 1 48 ? -15.923 19.243 -26.398 1.00 12.97 ? 48 ILE A CB 1 ATOM 386 C CG1 . ILE A 1 48 ? -14.999 18.038 -26.670 1.00 12.52 ? 48 ILE A CG1 1 ATOM 387 C CG2 . ILE A 1 48 ? -16.975 19.425 -27.554 1.00 12.35 ? 48 ILE A CG2 1 ATOM 388 C CD1 . ILE A 1 48 ? -15.750 16.660 -26.614 1.00 11.55 ? 48 ILE A CD1 1 ATOM 389 N N . GLY A 1 49 ? -16.774 21.759 -24.963 1.00 10.02 ? 49 GLY A N 1 ATOM 390 C CA . GLY A 1 49 ? -17.748 22.803 -24.706 1.00 9.23 ? 49 GLY A CA 1 ATOM 391 C C . GLY A 1 49 ? -18.646 22.480 -23.528 1.00 12.51 ? 49 GLY A C 1 ATOM 392 O O . GLY A 1 49 ? -18.444 21.486 -22.821 1.00 11.32 ? 49 GLY A O 1 ATOM 393 N N . ALA A 1 50 ? -19.637 23.327 -23.322 1.00 9.24 ? 50 ALA A N 1 ATOM 394 C CA . ALA A 1 50 ? -20.602 23.163 -22.251 1.00 9.50 ? 50 ALA A CA 1 ATOM 395 C C . ALA A 1 50 ? -21.977 23.654 -22.668 1.00 13.83 ? 50 ALA A C 1 ATOM 396 O O . ALA A 1 50 ? -22.123 24.514 -23.551 1.00 12.66 ? 50 ALA A O 1 ATOM 397 C CB . ALA A 1 50 ? -20.142 23.908 -20.987 1.00 10.23 ? 50 ALA A CB 1 ATOM 398 N N . VAL A 1 51 ? -22.978 23.135 -21.972 1.00 11.89 ? 51 VAL A N 1 ATOM 399 C CA . VAL A 1 51 ? -24.385 23.467 -22.158 1.00 10.74 ? 51 VAL A CA 1 ATOM 400 C C . VAL A 1 51 ? -25.004 23.799 -20.831 1.00 13.42 ? 51 VAL A C 1 ATOM 401 O O . VAL A 1 51 ? -24.756 23.116 -19.824 1.00 15.41 ? 51 VAL A O 1 ATOM 402 C CB . VAL A 1 51 ? -25.170 22.349 -22.914 1.00 14.63 ? 51 VAL A CB 1 ATOM 403 C CG1 . VAL A 1 51 ? -25.285 21.075 -22.073 1.00 13.56 ? 51 VAL A CG1 1 ATOM 404 C CG2 . VAL A 1 51 ? -26.568 22.831 -23.344 1.00 14.91 ? 51 VAL A CG2 1 ATOM 405 N N . TYR A 1 52 ? -25.829 24.832 -20.833 1.00 11.09 ? 52 TYR A N 1 ATOM 406 C CA . TYR A 1 52 ? -26.616 25.270 -19.695 1.00 12.14 ? 52 TYR A CA 1 ATOM 407 C C . TYR A 1 52 ? -28.039 24.727 -19.887 1.00 19.11 ? 52 TYR A C 1 ATOM 408 O O . TYR A 1 52 ? -28.683 25.040 -20.891 1.00 18.82 ? 52 TYR A O 1 ATOM 409 C CB . TYR A 1 52 ? -26.620 26.799 -19.606 1.00 13.48 ? 52 TYR A CB 1 ATOM 410 C CG . TYR A 1 52 ? -27.568 27.311 -18.538 1.00 14.61 ? 52 TYR A CG 1 ATOM 411 C CD1 . TYR A 1 52 ? -27.455 26.889 -17.216 1.00 14.91 ? 52 TYR A CD1 1 ATOM 412 C CD2 . TYR A 1 52 ? -28.588 28.205 -18.856 1.00 16.22 ? 52 TYR A CD2 1 ATOM 413 C CE1 . TYR A 1 52 ? -28.370 27.295 -16.251 1.00 16.04 ? 52 TYR A CE1 1 ATOM 414 C CE2 . TYR A 1 52 ? -29.481 28.649 -17.890 1.00 17.34 ? 52 TYR A CE2 1 ATOM 415 C CZ . TYR A 1 52 ? -29.368 28.191 -16.589 1.00 21.19 ? 52 TYR A CZ 1 ATOM 416 O OH . TYR A 1 52 ? -30.239 28.659 -15.644 1.00 21.52 ? 52 TYR A OH 1 ATOM 417 N N . PRO A 1 53 A -28.560 23.883 -18.977 1.00 17.37 ? 52 PRO A N 1 ATOM 418 C CA . PRO A 1 53 A -29.878 23.274 -19.234 1.00 18.18 ? 52 PRO A CA 1 ATOM 419 C C . PRO A 1 53 A -31.090 24.187 -19.107 1.00 23.92 ? 52 PRO A C 1 ATOM 420 O O . PRO A 1 53 A -32.142 23.836 -19.641 1.00 25.06 ? 52 PRO A O 1 ATOM 421 C CB . PRO A 1 53 A -29.949 22.113 -18.241 1.00 19.91 ? 52 PRO A CB 1 ATOM 422 C CG . PRO A 1 53 A -28.561 21.968 -17.685 1.00 23.83 ? 52 PRO A CG 1 ATOM 423 C CD . PRO A 1 53 A -27.950 23.334 -17.755 1.00 18.75 ? 52 PRO A CD 1 ATOM 424 N N . GLY A 1 54 ? -30.936 25.342 -18.463 1.00 19.92 ? 53 GLY A N 1 ATOM 425 C CA . GLY A 1 54 ? -32.021 26.306 -18.290 1.00 21.17 ? 53 GLY A CA 1 ATOM 426 C C . GLY A 1 54 ? -32.653 26.744 -19.600 1.00 26.59 ? 53 GLY A C 1 ATOM 427 O O . GLY A 1 54 ? -33.877 26.687 -19.748 1.00 27.32 ? 53 GLY A O 1 ATOM 428 N N . ASP A 1 55 ? -31.824 27.133 -20.580 1.00 22.06 ? 54 ASP A N 1 ATOM 429 C CA . ASP A 1 55 ? -32.321 27.539 -21.900 1.00 21.35 ? 54 ASP A CA 1 ATOM 430 C C . ASP A 1 55 ? -31.513 26.957 -23.046 1.00 23.12 ? 54 ASP A C 1 ATOM 431 O O . ASP A 1 55 ? -31.675 27.397 -24.199 1.00 22.46 ? 54 ASP A O 1 ATOM 432 C CB . ASP A 1 55 ? -32.396 29.078 -22.022 1.00 22.75 ? 54 ASP A CB 1 ATOM 433 C CG . ASP A 1 55 ? -31.070 29.819 -21.921 1.00 27.01 ? 54 ASP A CG 1 ATOM 434 O OD1 . ASP A 1 55 ? -30.022 29.153 -21.788 1.00 23.66 ? 54 ASP A OD1 1 ATOM 435 O OD2 . ASP A 1 55 ? -31.079 31.070 -22.016 1.00 29.44 ? 54 ASP A OD2 1 ATOM 436 N N . GLY A 1 56 ? -30.609 26.024 -22.729 1.00 15.92 ? 55 GLY A N 1 ATOM 437 C CA . GLY A 1 56 ? -29.781 25.428 -23.765 1.00 14.91 ? 55 GLY A CA 1 ATOM 438 C C . GLY A 1 56 ? -28.651 26.298 -24.273 1.00 17.56 ? 55 GLY A C 1 ATOM 439 O O . GLY A 1 56 ? -28.096 25.997 -25.327 1.00 17.22 ? 55 GLY A O 1 ATOM 440 N N . ASP A 1 57 ? -28.290 27.378 -23.557 1.00 15.79 ? 56 ASP A N 1 ATOM 441 C CA . ASP A 1 57 ? -27.130 28.207 -23.952 1.00 15.85 ? 56 ASP A CA 1 ATOM 442 C C . ASP A 1 57 ? -25.848 27.331 -24.004 1.00 17.10 ? 56 ASP A C 1 ATOM 443 O O . ASP A 1 57 ? -25.748 26.317 -23.291 1.00 14.71 ? 56 ASP A O 1 ATOM 444 C CB . ASP A 1 57 ? -26.933 29.405 -23.016 1.00 17.34 ? 56 ASP A CB 1 ATOM 445 C CG . ASP A 1 57 ? -25.945 30.460 -23.519 1.00 21.57 ? 56 ASP A CG 1 ATOM 446 O OD1 . ASP A 1 57 ? -25.639 30.463 -24.731 1.00 21.52 ? 56 ASP A OD1 1 ATOM 447 O OD2 . ASP A 1 57 ? -25.446 31.253 -22.689 1.00 24.55 ? 56 ASP A OD2 1 ATOM 448 N N . THR A 1 58 ? -24.937 27.659 -24.926 1.00 14.08 ? 57 THR A N 1 ATOM 449 C CA . THR A 1 58 ? -23.720 26.873 -25.123 1.00 13.11 ? 57 THR A CA 1 ATOM 450 C C . THR A 1 58 ? -22.451 27.698 -25.131 1.00 15.36 ? 57 THR A C 1 ATOM 451 O O . THR A 1 58 ? -22.459 28.913 -25.398 1.00 14.63 ? 57 THR A O 1 ATOM 452 C CB . THR A 1 58 ? -23.805 26.014 -26.411 1.00 19.50 ? 57 THR A CB 1 ATOM 453 O OG1 . THR A 1 58 ? -23.966 26.880 -27.531 1.00 19.84 ? 57 THR A OG1 1 ATOM 454 C CG2 . THR A 1 58 ? -24.917 24.953 -26.384 1.00 17.03 ? 57 THR A CG2 1 ATOM 455 N N . ARG A 1 59 ? -21.327 26.997 -24.879 1.00 11.87 ? 58 ARG A N 1 ATOM 456 C CA . ARG A 1 59 ? -19.966 27.530 -24.945 1.00 11.81 ? 58 ARG A CA 1 ATOM 457 C C . ARG A 1 59 ? -19.137 26.494 -25.644 1.00 15.27 ? 58 ARG A C 1 ATOM 458 O O . ARG A 1 59 ? -19.260 25.301 -25.348 1.00 14.88 ? 58 ARG A O 1 ATOM 459 C CB . ARG A 1 59 ? -19.389 27.811 -23.534 1.00 11.38 ? 58 ARG A CB 1 ATOM 460 C CG . ARG A 1 59 ? -20.116 28.927 -22.767 1.00 11.24 ? 58 ARG A CG 1 ATOM 461 C CD . ARG A 1 59 ? -19.808 30.307 -23.364 1.00 13.89 ? 58 ARG A CD 1 ATOM 462 N NE . ARG A 1 59 ? -20.427 31.392 -22.595 1.00 18.03 ? 58 ARG A NE 1 ATOM 463 C CZ . ARG A 1 59 ? -21.700 31.770 -22.695 1.00 24.65 ? 58 ARG A CZ 1 ATOM 464 N NH1 . ARG A 1 59 ? -22.521 31.151 -23.537 1.00 16.25 ? 58 ARG A NH1 1 ATOM 465 N NH2 . ARG A 1 59 ? -22.164 32.762 -21.948 1.00 24.08 ? 58 ARG A NH2 1 ATOM 466 N N . PHE A 1 60 ? -18.303 26.909 -26.582 1.00 13.26 ? 59 PHE A N 1 ATOM 467 C CA . PHE A 1 60 ? -17.503 25.925 -27.292 1.00 12.86 ? 59 PHE A CA 1 ATOM 468 C C . PHE A 1 60 ? -16.076 26.310 -27.354 1.00 16.19 ? 59 PHE A C 1 ATOM 469 O O . PHE A 1 60 ? -15.741 27.485 -27.298 1.00 14.68 ? 59 PHE A O 1 ATOM 470 C CB . PHE A 1 60 ? -17.993 25.805 -28.770 1.00 15.78 ? 59 PHE A CB 1 ATOM 471 C CG . PHE A 1 60 ? -19.221 24.950 -28.932 1.00 17.15 ? 59 PHE A CG 1 ATOM 472 C CD1 . PHE A 1 60 ? -19.113 23.564 -29.053 1.00 21.35 ? 59 PHE A CD1 1 ATOM 473 C CD2 . PHE A 1 60 ? -20.491 25.522 -28.920 1.00 19.10 ? 59 PHE A CD2 1 ATOM 474 C CE1 . PHE A 1 60 ? -20.251 22.771 -29.201 1.00 23.28 ? 59 PHE A CE1 1 ATOM 475 C CE2 . PHE A 1 60 ? -21.630 24.731 -29.089 1.00 22.36 ? 59 PHE A CE2 1 ATOM 476 C CZ . PHE A 1 60 ? -21.505 23.364 -29.235 1.00 22.25 ? 59 PHE A CZ 1 ATOM 477 N N . SER A 1 61 ? -15.229 25.300 -27.552 1.00 14.91 ? 60 SER A N 1 ATOM 478 C CA . SER A 1 61 ? -13.843 25.451 -27.942 1.00 15.74 ? 60 SER A CA 1 ATOM 479 C C . SER A 1 61 ? -13.973 25.686 -29.491 1.00 18.20 ? 60 SER A C 1 ATOM 480 O O . SER A 1 61 ? -14.820 25.057 -30.144 1.00 17.68 ? 60 SER A O 1 ATOM 481 C CB . SER A 1 61 ? -13.082 24.153 -27.667 1.00 19.67 ? 60 SER A CB 1 ATOM 482 O OG . SER A 1 61 ? -11.874 24.104 -28.410 1.00 31.59 ? 60 SER A OG 1 ATOM 483 N N . GLN A 1 62 ? -13.207 26.622 -30.049 1.00 16.54 ? 61 GLN A N 1 ATOM 484 C CA . GLN A 1 62 ? -13.243 26.945 -31.496 1.00 16.81 ? 61 GLN A CA 1 ATOM 485 C C . GLN A 1 62 ? -13.123 25.714 -32.398 1.00 17.78 ? 61 GLN A C 1 ATOM 486 O O . GLN A 1 62 ? -13.849 25.617 -33.366 1.00 18.48 ? 61 GLN A O 1 ATOM 487 C CB . GLN A 1 62 ? -12.116 27.940 -31.874 1.00 18.76 ? 61 GLN A CB 1 ATOM 488 C CG . GLN A 1 62 ? -12.261 29.342 -31.269 1.00 39.46 ? 61 GLN A CG 1 ATOM 489 C CD . GLN A 1 62 ? -13.404 30.148 -31.844 1.00 66.07 ? 61 GLN A CD 1 ATOM 490 O OE1 . GLN A 1 62 ? -14.098 30.869 -31.121 1.00 67.66 ? 61 GLN A OE1 1 ATOM 491 N NE2 . GLN A 1 62 ? -13.607 30.078 -33.154 1.00 57.16 ? 61 GLN A NE2 1 ATOM 492 N N . LYS A 1 63 ? -12.259 24.769 -32.049 1.00 14.10 ? 62 LYS A N 1 ATOM 493 C CA . LYS A 1 63 ? -12.042 23.552 -32.830 1.00 14.32 ? 62 LYS A CA 1 ATOM 494 C C . LYS A 1 63 ? -13.303 22.721 -33.004 1.00 19.20 ? 62 LYS A C 1 ATOM 495 O O . LYS A 1 63 ? -13.482 22.112 -34.061 1.00 19.16 ? 62 LYS A O 1 ATOM 496 C CB . LYS A 1 63 ? -10.952 22.687 -32.177 1.00 16.25 ? 62 LYS A CB 1 ATOM 497 C CG . LYS A 1 63 ? -10.306 21.723 -33.177 1.00 34.79 ? 62 LYS A CG 1 ATOM 498 C CD . LYS A 1 63 ? -9.638 20.520 -32.524 1.00 37.81 ? 62 LYS A CD 1 ATOM 499 C CE . LYS A 1 63 ? -8.168 20.729 -32.261 1.00 50.40 ? 62 LYS A CE 1 ATOM 500 N NZ . LYS A 1 63 ? -7.568 19.539 -31.598 1.00 63.17 ? 62 LYS A NZ 1 ATOM 501 N N . PHE A 1 64 ? -14.167 22.666 -31.968 1.00 14.34 ? 63 PHE A N 1 ATOM 502 C CA . PHE A 1 64 ? -15.321 21.774 -32.030 1.00 14.30 ? 63 PHE A CA 1 ATOM 503 C C . PHE A 1 64 ? -16.581 22.395 -32.612 1.00 20.30 ? 63 PHE A C 1 ATOM 504 O O . PHE A 1 64 ? -17.568 21.672 -32.760 1.00 21.38 ? 63 PHE A O 1 ATOM 505 C CB . PHE A 1 64 ? -15.586 21.129 -30.673 1.00 14.35 ? 63 PHE A CB 1 ATOM 506 C CG . PHE A 1 64 ? -14.469 20.174 -30.339 1.00 15.87 ? 63 PHE A CG 1 ATOM 507 C CD1 . PHE A 1 64 ? -14.472 18.873 -30.836 1.00 19.04 ? 63 PHE A CD1 1 ATOM 508 C CD2 . PHE A 1 64 ? -13.387 20.586 -29.568 1.00 17.80 ? 63 PHE A CD2 1 ATOM 509 C CE1 . PHE A 1 64 ? -13.426 17.993 -30.539 1.00 19.88 ? 63 PHE A CE1 1 ATOM 510 C CE2 . PHE A 1 64 ? -12.340 19.708 -29.280 1.00 20.54 ? 63 PHE A CE2 1 ATOM 511 C CZ . PHE A 1 64 ? -12.369 18.420 -29.761 1.00 18.30 ? 63 PHE A CZ 1 ATOM 512 N N . LYS A 1 65 ? -16.555 23.697 -32.971 1.00 17.17 ? 64 LYS A N 1 ATOM 513 C CA . LYS A 1 65 ? -17.696 24.341 -33.617 1.00 18.60 ? 64 LYS A CA 1 ATOM 514 C C . LYS A 1 65 ? -17.803 23.710 -35.028 1.00 23.07 ? 64 LYS A C 1 ATOM 515 O O . LYS A 1 65 ? -16.821 23.688 -35.776 1.00 22.73 ? 64 LYS A O 1 ATOM 516 C CB . LYS A 1 65 ? -17.498 25.866 -33.718 1.00 21.91 ? 64 LYS A CB 1 ATOM 517 C CG . LYS A 1 65 ? -17.756 26.603 -32.415 1.00 23.83 ? 64 LYS A CG 1 ATOM 518 C CD . LYS A 1 65 ? -17.276 28.041 -32.516 1.00 32.98 ? 64 LYS A CD 1 ATOM 519 C CE . LYS A 1 65 ? -17.719 28.865 -31.331 1.00 37.70 ? 64 LYS A CE 1 ATOM 520 N NZ . LYS A 1 65 ? -16.738 29.935 -31.032 1.00 49.51 ? 64 LYS A NZ 1 ATOM 521 N N . GLY A 1 66 ? -18.968 23.146 -35.325 1.00 20.72 ? 65 GLY A N 1 ATOM 522 C CA . GLY A 1 66 ? -19.229 22.428 -36.566 1.00 20.64 ? 65 GLY A CA 1 ATOM 523 C C . GLY A 1 66 ? -19.034 20.929 -36.419 1.00 23.71 ? 65 GLY A C 1 ATOM 524 O O . GLY A 1 66 ? -19.341 20.176 -37.347 1.00 22.40 ? 65 GLY A O 1 ATOM 525 N N . LYS A 1 67 ? -18.495 20.477 -35.257 1.00 17.44 ? 66 LYS A N 1 ATOM 526 C CA . LYS A 1 67 ? -18.301 19.056 -34.976 1.00 15.57 ? 66 LYS A CA 1 ATOM 527 C C . LYS A 1 67 ? -19.316 18.567 -33.926 1.00 17.17 ? 66 LYS A C 1 ATOM 528 O O . LYS A 1 67 ? -19.972 17.549 -34.142 1.00 16.03 ? 66 LYS A O 1 ATOM 529 C CB . LYS A 1 67 ? -16.844 18.775 -34.513 1.00 15.73 ? 66 LYS A CB 1 ATOM 530 C CG . LYS A 1 67 ? -16.528 17.320 -34.099 1.00 16.13 ? 66 LYS A CG 1 ATOM 531 C CD . LYS A 1 67 ? -16.828 16.241 -35.180 1.00 19.85 ? 66 LYS A CD 1 ATOM 532 C CE . LYS A 1 67 ? -15.951 16.310 -36.406 1.00 27.48 ? 66 LYS A CE 1 ATOM 533 N NZ . LYS A 1 67 ? -16.177 15.145 -37.291 1.00 26.83 ? 66 LYS A NZ 1 ATOM 534 N N . ALA A 1 68 ? -19.412 19.288 -32.793 1.00 13.42 ? 67 ALA A N 1 ATOM 535 C CA . ALA A 1 68 ? -20.256 18.933 -31.650 1.00 13.93 ? 67 ALA A CA 1 ATOM 536 C C . ALA A 1 68 ? -21.474 19.805 -31.513 1.00 16.70 ? 67 ALA A C 1 ATOM 537 O O . ALA A 1 68 ? -21.365 21.020 -31.633 1.00 16.70 ? 67 ALA A O 1 ATOM 538 C CB . ALA A 1 68 ? -19.435 18.979 -30.352 1.00 13.92 ? 67 ALA A CB 1 ATOM 539 N N . THR A 1 69 ? -22.623 19.187 -31.197 1.00 12.66 ? 68 THR A N 1 ATOM 540 C CA . THR A 1 69 ? -23.893 19.863 -30.945 1.00 13.41 ? 68 THR A CA 1 ATOM 541 C C . THR A 1 69 ? -24.289 19.472 -29.521 1.00 18.44 ? 68 THR A C 1 ATOM 542 O O . THR A 1 69 ? -24.423 18.288 -29.219 1.00 19.17 ? 68 THR A O 1 ATOM 543 C CB . THR A 1 69 ? -24.972 19.454 -31.982 1.00 19.21 ? 68 THR A CB 1 ATOM 544 O OG1 . THR A 1 69 ? -24.489 19.773 -33.272 1.00 20.64 ? 68 THR A OG1 1 ATOM 545 C CG2 . THR A 1 69 ? -26.302 20.170 -31.760 1.00 21.07 ? 68 THR A CG2 1 ATOM 546 N N . LEU A 1 70 ? -24.449 20.464 -28.656 1.00 14.97 ? 69 LEU A N 1 ATOM 547 C CA . LEU A 1 70 ? -24.751 20.259 -27.241 1.00 13.75 ? 69 LEU A CA 1 ATOM 548 C C . LEU A 1 70 ? -26.165 20.676 -26.870 1.00 17.09 ? 69 LEU A C 1 ATOM 549 O O . LEU A 1 70 ? -26.573 21.820 -27.102 1.00 15.18 ? 69 LEU A O 1 ATOM 550 C CB . LEU A 1 70 ? -23.717 20.971 -26.350 1.00 13.80 ? 69 LEU A CB 1 ATOM 551 C CG . LEU A 1 70 ? -22.219 20.720 -26.655 1.00 17.29 ? 69 LEU A CG 1 ATOM 552 C CD1 . LEU A 1 70 ? -21.358 21.497 -25.697 1.00 18.67 ? 69 LEU A CD1 1 ATOM 553 C CD2 . LEU A 1 70 ? -21.853 19.255 -26.503 1.00 16.50 ? 69 LEU A CD2 1 ATOM 554 N N . THR A 1 71 ? -26.904 19.739 -26.301 1.00 14.21 ? 70 THR A N 1 ATOM 555 C CA . THR A 1 71 ? -28.272 19.971 -25.863 1.00 14.74 ? 70 THR A CA 1 ATOM 556 C C . THR A 1 71 ? -28.465 19.391 -24.462 1.00 16.06 ? 70 THR A C 1 ATOM 557 O O . THR A 1 71 ? -27.606 18.660 -23.955 1.00 13.98 ? 70 THR A O 1 ATOM 558 C CB . THR A 1 71 ? -29.296 19.351 -26.873 1.00 23.24 ? 70 THR A CB 1 ATOM 559 O OG1 . THR A 1 71 ? -29.066 17.947 -26.970 1.00 21.77 ? 70 THR A OG1 1 ATOM 560 C CG2 . THR A 1 71 ? -29.219 19.975 -28.283 1.00 21.49 ? 70 THR A CG2 1 ATOM 561 N N . ALA A 1 72 ? -29.594 19.712 -23.842 1.00 13.78 ? 71 ALA A N 1 ATOM 562 C CA . ALA A 1 72 ? -29.942 19.169 -22.532 1.00 17.16 ? 71 ALA A CA 1 ATOM 563 C C . ALA A 1 72 ? -31.463 19.060 -22.413 1.00 22.91 ? 71 ALA A C 1 ATOM 564 O O . ALA A 1 72 ? -32.186 19.911 -22.939 1.00 22.40 ? 71 ALA A O 1 ATOM 565 C CB . ALA A 1 72 ? -29.399 20.062 -21.408 1.00 18.23 ? 71 ALA A CB 1 ATOM 566 N N . ASP A 1 73 ? -31.938 18.008 -21.728 1.00 20.26 ? 72 ASP A N 1 ATOM 567 C CA . ASP A 1 73 ? -33.349 17.820 -21.444 1.00 19.71 ? 72 ASP A CA 1 ATOM 568 C C . ASP A 1 73 ? -33.520 17.910 -19.914 1.00 22.59 ? 72 ASP A C 1 ATOM 569 O O . ASP A 1 73 ? -33.068 17.030 -19.191 1.00 20.95 ? 72 ASP A O 1 ATOM 570 C CB . ASP A 1 73 ? -33.865 16.490 -22.028 1.00 21.78 ? 72 ASP A CB 1 ATOM 571 C CG . ASP A 1 73 ? -35.343 16.196 -21.748 1.00 35.86 ? 72 ASP A CG 1 ATOM 572 O OD1 . ASP A 1 73 ? -36.147 17.144 -21.730 1.00 37.07 ? 72 ASP A OD1 1 ATOM 573 O OD2 . ASP A 1 73 ? -35.678 15.030 -21.515 1.00 46.38 ? 72 ASP A OD2 1 ATOM 574 N N . LYS A 1 74 ? -34.102 19.019 -19.440 1.00 21.42 ? 73 LYS A N 1 ATOM 575 C CA . LYS A 1 74 ? -34.345 19.328 -18.020 1.00 22.37 ? 73 LYS A CA 1 ATOM 576 C C . LYS A 1 74 ? -35.236 18.283 -17.378 1.00 28.05 ? 73 LYS A C 1 ATOM 577 O O . LYS A 1 74 ? -34.995 17.915 -16.239 1.00 29.18 ? 73 LYS A O 1 ATOM 578 C CB . LYS A 1 74 ? -35.060 20.684 -17.876 1.00 24.99 ? 73 LYS A CB 1 ATOM 579 C CG . LYS A 1 74 ? -34.163 21.891 -17.803 1.00 32.88 ? 73 LYS A CG 1 ATOM 580 C CD . LYS A 1 74 ? -34.966 23.153 -17.403 1.00 38.58 ? 73 LYS A CD 1 ATOM 581 C CE . LYS A 1 74 ? -36.007 23.638 -18.389 1.00 49.65 ? 73 LYS A CE 1 ATOM 582 N NZ . LYS A 1 74 ? -35.399 24.189 -19.631 1.00 64.52 ? 73 LYS A NZ 1 ATOM 583 N N . SER A 1 75 ? -36.275 17.819 -18.098 1.00 26.98 ? 74 SER A N 1 ATOM 584 C CA . SER A 1 75 ? -37.224 16.823 -17.570 1.00 28.73 ? 74 SER A CA 1 ATOM 585 C C . SER A 1 75 ? -36.550 15.500 -17.210 1.00 31.62 ? 74 SER A C 1 ATOM 586 O O . SER A 1 75 ? -36.804 14.973 -16.114 1.00 32.08 ? 74 SER A O 1 ATOM 587 C CB . SER A 1 75 ? -38.394 16.616 -18.525 1.00 33.82 ? 74 SER A CB 1 ATOM 588 O OG . SER A 1 75 ? -37.973 16.250 -19.830 1.00 46.79 ? 74 SER A OG 1 ATOM 589 N N . SER A 1 76 ? -35.627 15.016 -18.085 1.00 24.28 ? 75 SER A N 1 ATOM 590 C CA . SER A 1 76 ? -34.892 13.778 -17.829 1.00 22.91 ? 75 SER A CA 1 ATOM 591 C C . SER A 1 76 ? -33.515 13.992 -17.175 1.00 23.13 ? 75 SER A C 1 ATOM 592 O O . SER A 1 76 ? -32.830 12.997 -16.909 1.00 22.44 ? 75 SER A O 1 ATOM 593 C CB . SER A 1 76 ? -34.774 12.935 -19.096 1.00 26.76 ? 75 SER A CB 1 ATOM 594 O OG . SER A 1 76 ? -33.923 13.544 -20.056 1.00 33.03 ? 75 SER A OG 1 ATOM 595 N N . SER A 1 77 ? -33.130 15.271 -16.870 1.00 18.64 ? 76 SER A N 1 ATOM 596 C CA . SER A 1 77 ? -31.825 15.628 -16.232 1.00 17.02 ? 76 SER A CA 1 ATOM 597 C C . SER A 1 77 ? -30.691 15.015 -17.052 1.00 17.43 ? 76 SER A C 1 ATOM 598 O O . SER A 1 77 ? -29.780 14.406 -16.507 1.00 15.85 ? 76 SER A O 1 ATOM 599 C CB . SER A 1 77 ? -31.762 15.140 -14.773 1.00 19.85 ? 76 SER A CB 1 ATOM 600 O OG . SER A 1 77 ? -32.627 15.884 -13.934 1.00 26.40 ? 76 SER A OG 1 ATOM 601 N N . THR A 1 78 ? -30.797 15.127 -18.380 1.00 14.50 ? 77 THR A N 1 ATOM 602 C CA . THR A 1 78 ? -29.828 14.546 -19.298 1.00 14.97 ? 77 THR A CA 1 ATOM 603 C C . THR A 1 78 ? -29.237 15.582 -20.237 1.00 17.66 ? 77 THR A C 1 ATOM 604 O O . THR A 1 78 ? -29.966 16.387 -20.804 1.00 15.71 ? 77 THR A O 1 ATOM 605 C CB . THR A 1 78 ? -30.445 13.339 -20.044 1.00 18.41 ? 77 THR A CB 1 ATOM 606 O OG1 . THR A 1 78 ? -30.996 12.458 -19.065 1.00 19.66 ? 77 THR A OG1 1 ATOM 607 C CG2 . THR A 1 78 ? -29.416 12.558 -20.873 1.00 14.86 ? 77 THR A CG2 1 ATOM 608 N N . ALA A 1 79 ? -27.902 15.530 -20.412 1.00 14.62 ? 78 ALA A N 1 ATOM 609 C CA . ALA A 1 79 ? -27.211 16.384 -21.360 1.00 13.31 ? 78 ALA A CA 1 ATOM 610 C C . ALA A 1 79 ? -26.803 15.468 -22.499 1.00 15.11 ? 78 ALA A C 1 ATOM 611 O O . ALA A 1 79 ? -26.487 14.307 -22.267 1.00 14.89 ? 78 ALA A O 1 ATOM 612 C CB . ALA A 1 79 ? -25.983 17.012 -20.714 1.00 14.24 ? 78 ALA A CB 1 ATOM 613 N N . TYR A 1 80 ? -26.762 16.001 -23.714 1.00 12.47 ? 79 TYR A N 1 ATOM 614 C CA . TYR A 1 80 ? -26.415 15.247 -24.909 1.00 11.39 ? 79 TYR A CA 1 ATOM 615 C C . TYR A 1 80 ? -25.334 15.898 -25.718 1.00 14.31 ? 79 TYR A C 1 ATOM 616 O O . TYR A 1 80 ? -25.304 17.112 -25.862 1.00 14.44 ? 79 TYR A O 1 ATOM 617 C CB . TYR A 1 80 ? -27.625 15.115 -25.838 1.00 12.99 ? 79 TYR A CB 1 ATOM 618 C CG . TYR A 1 80 ? -28.774 14.359 -25.225 1.00 15.39 ? 79 TYR A CG 1 ATOM 619 C CD1 . TYR A 1 80 ? -28.825 12.970 -25.282 1.00 16.85 ? 79 TYR A CD1 1 ATOM 620 C CD2 . TYR A 1 80 ? -29.822 15.032 -24.596 1.00 15.43 ? 79 TYR A CD2 1 ATOM 621 C CE1 . TYR A 1 80 ? -29.888 12.264 -24.723 1.00 19.71 ? 79 TYR A CE1 1 ATOM 622 C CE2 . TYR A 1 80 ? -30.893 14.331 -24.029 1.00 16.60 ? 79 TYR A CE2 1 ATOM 623 C CZ . TYR A 1 80 ? -30.922 12.948 -24.106 1.00 23.74 ? 79 TYR A CZ 1 ATOM 624 O OH . TYR A 1 80 ? -31.962 12.228 -23.568 1.00 28.29 ? 79 TYR A OH 1 ATOM 625 N N . MET A 1 81 ? -24.506 15.075 -26.331 1.00 11.06 ? 80 MET A N 1 ATOM 626 C CA . MET A 1 81 ? -23.521 15.602 -27.238 1.00 11.04 ? 80 MET A CA 1 ATOM 627 C C . MET A 1 81 ? -23.612 14.836 -28.533 1.00 14.41 ? 80 MET A C 1 ATOM 628 O O . MET A 1 81 ? -23.335 13.636 -28.560 1.00 13.54 ? 80 MET A O 1 ATOM 629 C CB . MET A 1 81 ? -22.107 15.550 -26.681 1.00 12.21 ? 80 MET A CB 1 ATOM 630 C CG . MET A 1 81 ? -21.080 15.940 -27.754 1.00 14.88 ? 80 MET A CG 1 ATOM 631 S SD . MET A 1 81 ? -19.409 16.202 -27.218 1.00 17.42 ? 80 MET A SD 1 ATOM 632 C CE . MET A 1 81 ? -18.928 14.553 -26.860 1.00 15.22 ? 80 MET A CE 1 ATOM 633 N N . GLN A 1 82 ? -23.962 15.544 -29.604 1.00 12.98 ? 81 GLN A N 1 ATOM 634 C CA . GLN A 1 82 ? -24.005 14.923 -30.916 1.00 12.49 ? 81 GLN A CA 1 ATOM 635 C C . GLN A 1 82 ? -22.722 15.230 -31.638 1.00 16.19 ? 81 GLN A C 1 ATOM 636 O O . GLN A 1 82 ? -22.310 16.386 -31.696 1.00 16.24 ? 81 GLN A O 1 ATOM 637 C CB . GLN A 1 82 ? -25.227 15.389 -31.713 1.00 13.66 ? 81 GLN A CB 1 ATOM 638 C CG . GLN A 1 82 ? -25.263 14.774 -33.104 1.00 19.77 ? 81 GLN A CG 1 ATOM 639 C CD . GLN A 1 82 ? -26.285 15.401 -34.010 1.00 37.87 ? 81 GLN A CD 1 ATOM 640 O OE1 . GLN A 1 82 ? -26.798 16.493 -33.767 1.00 32.24 ? 81 GLN A OE1 1 ATOM 641 N NE2 . GLN A 1 82 ? -26.574 14.728 -35.104 1.00 36.27 ? 81 GLN A NE2 1 ATOM 642 N N . LEU A 1 83 ? -22.051 14.192 -32.145 1.00 14.30 ? 82 LEU A N 1 ATOM 643 C CA . LEU A 1 83 ? -20.825 14.349 -32.917 1.00 13.96 ? 82 LEU A CA 1 ATOM 644 C C . LEU A 1 83 ? -21.182 14.034 -34.370 1.00 20.89 ? 82 LEU A C 1 ATOM 645 O O . LEU A 1 83 ? -21.682 12.947 -34.646 1.00 19.93 ? 82 LEU A O 1 ATOM 646 C CB . LEU A 1 83 ? -19.726 13.422 -32.393 1.00 13.47 ? 82 LEU A CB 1 ATOM 647 C CG . LEU A 1 83 ? -19.261 13.710 -30.951 1.00 17.19 ? 82 LEU A CG 1 ATOM 648 C CD1 . LEU A 1 83 ? -18.477 12.522 -30.389 1.00 17.28 ? 82 LEU A CD1 1 ATOM 649 C CD2 . LEU A 1 83 ? -18.384 14.980 -30.898 1.00 15.73 ? 82 LEU A CD2 1 ATOM 650 N N . SER A 1 84 A -20.948 14.992 -35.282 1.00 19.21 ? 82 SER A N 1 ATOM 651 C CA . SER A 1 84 A -21.313 14.885 -36.701 1.00 18.77 ? 82 SER A CA 1 ATOM 652 C C . SER A 1 84 A -20.151 14.608 -37.642 1.00 20.55 ? 82 SER A C 1 ATOM 653 O O . SER A 1 84 A -18.978 14.791 -37.274 1.00 18.65 ? 82 SER A O 1 ATOM 654 C CB . SER A 1 84 A -22.062 16.140 -37.138 1.00 20.78 ? 82 SER A CB 1 ATOM 655 O OG . SER A 1 84 A -23.314 16.188 -36.476 1.00 27.52 ? 82 SER A OG 1 ATOM 656 N N . SER A 1 85 B -20.489 14.133 -38.876 1.00 17.38 ? 82 SER A N 1 ATOM 657 C CA . SER A 1 85 B -19.547 13.793 -39.947 1.00 15.93 ? 82 SER A CA 1 ATOM 658 C C . SER A 1 85 B -18.297 13.078 -39.405 1.00 16.85 ? 82 SER A C 1 ATOM 659 O O . SER A 1 85 B -17.172 13.551 -39.529 1.00 16.33 ? 82 SER A O 1 ATOM 660 C CB . SER A 1 85 B -19.195 15.052 -40.735 1.00 23.95 ? 82 SER A CB 1 ATOM 661 O OG . SER A 1 85 B -18.851 14.679 -42.058 1.00 40.97 ? 82 SER A OG 1 ATOM 662 N N . LEU A 1 86 C -18.520 11.961 -38.736 1.00 15.46 ? 82 LEU A N 1 ATOM 663 C CA . LEU A 1 86 C -17.477 11.231 -38.028 1.00 14.92 ? 82 LEU A CA 1 ATOM 664 C C . LEU A 1 86 C -16.287 10.805 -38.874 1.00 20.20 ? 82 LEU A C 1 ATOM 665 O O . LEU A 1 86 C -16.471 10.320 -39.988 1.00 18.46 ? 82 LEU A O 1 ATOM 666 C CB . LEU A 1 86 C -18.071 10.028 -37.296 1.00 13.59 ? 82 LEU A CB 1 ATOM 667 C CG . LEU A 1 86 C -18.969 10.358 -36.109 1.00 16.72 ? 82 LEU A CG 1 ATOM 668 C CD1 . LEU A 1 86 C -19.673 9.128 -35.606 1.00 16.24 ? 82 LEU A CD1 1 ATOM 669 C CD2 . LEU A 1 86 C -18.203 11.037 -34.973 1.00 18.42 ? 82 LEU A CD2 1 ATOM 670 N N . SER A 1 87 ? -15.066 11.006 -38.344 1.00 16.98 ? 83 SER A N 1 ATOM 671 C CA . SER A 1 87 ? -13.822 10.553 -39.001 1.00 17.32 ? 83 SER A CA 1 ATOM 672 C C . SER A 1 87 ? -12.931 9.885 -37.956 1.00 21.91 ? 83 SER A C 1 ATOM 673 O O . SER A 1 87 ? -13.287 9.855 -36.769 1.00 19.69 ? 83 SER A O 1 ATOM 674 C CB . SER A 1 87 ? -13.105 11.686 -39.738 1.00 19.93 ? 83 SER A CB 1 ATOM 675 O OG . SER A 1 87 ? -12.606 12.682 -38.862 1.00 30.25 ? 83 SER A OG 1 ATOM 676 N N . SER A 1 88 ? -11.799 9.314 -38.391 1.00 19.71 ? 84 SER A N 1 ATOM 677 C CA . SER A 1 88 ? -10.893 8.581 -37.512 1.00 20.29 ? 84 SER A CA 1 ATOM 678 C C . SER A 1 88 ? -10.406 9.392 -36.303 1.00 21.94 ? 84 SER A C 1 ATOM 679 O O . SER A 1 88 ? -10.153 8.800 -35.262 1.00 21.13 ? 84 SER A O 1 ATOM 680 C CB . SER A 1 88 ? -9.712 8.018 -38.301 1.00 25.01 ? 84 SER A CB 1 ATOM 681 O OG . SER A 1 88 ? -8.856 9.070 -38.720 1.00 36.11 ? 84 SER A OG 1 ATOM 682 N N . GLU A 1 89 ? -10.281 10.729 -36.455 1.00 18.33 ? 85 GLU A N 1 ATOM 683 C CA . GLU A 1 89 ? -9.834 11.688 -35.438 1.00 19.00 ? 85 GLU A CA 1 ATOM 684 C C . GLU A 1 89 ? -10.872 11.800 -34.305 1.00 18.87 ? 85 GLU A C 1 ATOM 685 O O . GLU A 1 89 ? -10.541 12.263 -33.204 1.00 17.81 ? 85 GLU A O 1 ATOM 686 C CB . GLU A 1 89 ? -9.600 13.065 -36.085 1.00 21.78 ? 85 GLU A CB 1 ATOM 687 C CG . GLU A 1 89 ? -8.534 13.920 -35.407 1.00 42.82 ? 85 GLU A CG 1 ATOM 688 C CD . GLU A 1 89 ? -7.136 13.336 -35.293 1.00 79.82 ? 85 GLU A CD 1 ATOM 689 O OE1 . GLU A 1 89 ? -6.638 12.766 -36.291 1.00 76.03 ? 85 GLU A OE1 1 ATOM 690 O OE2 . GLU A 1 89 ? -6.531 13.467 -34.204 1.00 83.43 ? 85 GLU A OE2 1 ATOM 691 N N . ASP A 1 90 ? -12.120 11.393 -34.578 1.00 13.29 ? 86 ASP A N 1 ATOM 692 C CA . ASP A 1 90 ? -13.195 11.389 -33.572 1.00 12.84 ? 86 ASP A CA 1 ATOM 693 C C . ASP A 1 90 ? -13.189 10.165 -32.683 1.00 14.79 ? 86 ASP A C 1 ATOM 694 O O . ASP A 1 90 ? -13.905 10.150 -31.673 1.00 15.70 ? 86 ASP A O 1 ATOM 695 C CB . ASP A 1 90 ? -14.567 11.593 -34.207 1.00 15.00 ? 86 ASP A CB 1 ATOM 696 C CG . ASP A 1 90 ? -14.685 12.852 -35.047 1.00 25.29 ? 86 ASP A CG 1 ATOM 697 O OD1 . ASP A 1 90 ? -14.263 13.923 -34.571 1.00 29.36 ? 86 ASP A OD1 1 ATOM 698 O OD2 . ASP A 1 90 ? -15.227 12.769 -36.165 1.00 26.55 ? 86 ASP A OD2 1 ATOM 699 N N . SER A 1 91 ? -12.392 9.133 -33.016 1.00 11.55 ? 87 SER A N 1 ATOM 700 C CA . SER A 1 91 ? -12.305 7.931 -32.190 1.00 10.79 ? 87 SER A CA 1 ATOM 701 C C . SER A 1 91 ? -11.563 8.332 -30.881 1.00 14.89 ? 87 SER A C 1 ATOM 702 O O . SER A 1 91 ? -10.417 8.805 -30.927 1.00 13.09 ? 87 SER A O 1 ATOM 703 C CB . SER A 1 91 ? -11.549 6.824 -32.926 1.00 14.10 ? 87 SER A CB 1 ATOM 704 O OG . SER A 1 91 ? -12.362 6.407 -34.010 1.00 15.96 ? 87 SER A OG 1 ATOM 705 N N . ALA A 1 92 ? -12.258 8.233 -29.745 1.00 12.20 ? 88 ALA A N 1 ATOM 706 C CA . ALA A 1 92 ? -11.748 8.723 -28.456 1.00 11.35 ? 88 ALA A CA 1 ATOM 707 C C . ALA A 1 92 ? -12.691 8.304 -27.359 1.00 15.56 ? 88 ALA A C 1 ATOM 708 O O . ALA A 1 92 ? -13.738 7.711 -27.631 1.00 14.69 ? 88 ALA A O 1 ATOM 709 C CB . ALA A 1 92 ? -11.727 10.270 -28.485 1.00 12.44 ? 88 ALA A CB 1 ATOM 710 N N . VAL A 1 93 ? -12.362 8.709 -26.120 1.00 10.54 ? 89 VAL A N 1 ATOM 711 C CA . VAL A 1 93 ? -13.222 8.533 -24.961 1.00 10.07 ? 89 VAL A CA 1 ATOM 712 C C . VAL A 1 93 ? -13.684 9.951 -24.685 1.00 13.67 ? 89 VAL A C 1 ATOM 713 O O . VAL A 1 93 ? -12.895 10.889 -24.753 1.00 12.05 ? 89 VAL A O 1 ATOM 714 C CB . VAL A 1 93 ? -12.517 7.854 -23.718 1.00 13.46 ? 89 VAL A CB 1 ATOM 715 C CG1 . VAL A 1 93 ? -13.348 8.022 -22.448 1.00 13.78 ? 89 VAL A CG1 1 ATOM 716 C CG2 . VAL A 1 93 ? -12.271 6.359 -23.970 1.00 13.52 ? 89 VAL A CG2 1 ATOM 717 N N . TYR A 1 94 ? -14.963 10.101 -24.426 1.00 10.24 ? 90 TYR A N 1 ATOM 718 C CA . TYR A 1 94 ? -15.581 11.390 -24.173 1.00 10.04 ? 90 TYR A CA 1 ATOM 719 C C . TYR A 1 94 ? -16.144 11.368 -22.785 1.00 13.08 ? 90 TYR A C 1 ATOM 720 O O . TYR A 1 94 ? -16.862 10.430 -22.433 1.00 14.66 ? 90 TYR A O 1 ATOM 721 C CB . TYR A 1 94 ? -16.686 11.651 -25.207 1.00 9.58 ? 90 TYR A CB 1 ATOM 722 C CG . TYR A 1 94 ? -16.132 11.850 -26.600 1.00 10.86 ? 90 TYR A CG 1 ATOM 723 C CD1 . TYR A 1 94 ? -15.719 13.108 -27.033 1.00 12.66 ? 90 TYR A CD1 1 ATOM 724 C CD2 . TYR A 1 94 ? -15.977 10.775 -27.469 1.00 10.85 ? 90 TYR A CD2 1 ATOM 725 C CE1 . TYR A 1 94 ? -15.208 13.300 -28.317 1.00 12.00 ? 90 TYR A CE1 1 ATOM 726 C CE2 . TYR A 1 94 ? -15.434 10.946 -28.745 1.00 11.31 ? 90 TYR A CE2 1 ATOM 727 C CZ . TYR A 1 94 ? -15.059 12.213 -29.165 1.00 14.16 ? 90 TYR A CZ 1 ATOM 728 O OH . TYR A 1 94 ? -14.524 12.398 -30.407 1.00 12.08 ? 90 TYR A OH 1 ATOM 729 N N . PHE A 1 95 ? -15.811 12.380 -21.985 1.00 9.41 ? 91 PHE A N 1 ATOM 730 C CA . PHE A 1 95 ? -16.323 12.514 -20.626 1.00 7.83 ? 91 PHE A CA 1 ATOM 731 C C . PHE A 1 95 ? -17.243 13.696 -20.524 1.00 12.36 ? 91 PHE A C 1 ATOM 732 O O . PHE A 1 95 ? -17.043 14.694 -21.214 1.00 12.25 ? 91 PHE A O 1 ATOM 733 C CB . PHE A 1 95 ? -15.168 12.755 -19.621 1.00 9.24 ? 91 PHE A CB 1 ATOM 734 C CG . PHE A 1 95 ? -14.177 11.639 -19.491 1.00 9.71 ? 91 PHE A CG 1 ATOM 735 C CD1 . PHE A 1 95 ? -14.403 10.587 -18.612 1.00 11.32 ? 91 PHE A CD1 1 ATOM 736 C CD2 . PHE A 1 95 ? -12.981 11.668 -20.197 1.00 10.74 ? 91 PHE A CD2 1 ATOM 737 C CE1 . PHE A 1 95 ? -13.474 9.561 -18.482 1.00 11.74 ? 91 PHE A CE1 1 ATOM 738 C CE2 . PHE A 1 95 ? -12.045 10.645 -20.051 1.00 12.07 ? 91 PHE A CE2 1 ATOM 739 C CZ . PHE A 1 95 ? -12.315 9.586 -19.223 1.00 11.29 ? 91 PHE A CZ 1 ATOM 740 N N . CYS A 1 96 ? -18.245 13.599 -19.641 1.00 10.02 ? 92 CYS A N 1 ATOM 741 C CA . CYS A 1 96 ? -19.063 14.740 -19.219 1.00 10.97 ? 92 CYS A CA 1 ATOM 742 C C . CYS A 1 96 ? -18.590 15.044 -17.792 1.00 12.57 ? 92 CYS A C 1 ATOM 743 O O . CYS A 1 96 ? -18.046 14.165 -17.117 1.00 12.63 ? 92 CYS A O 1 ATOM 744 C CB . CYS A 1 96 ? -20.566 14.475 -19.273 1.00 13.99 ? 92 CYS A CB 1 ATOM 745 S SG . CYS A 1 96 ? -21.122 13.140 -18.184 1.00 19.24 ? 92 CYS A SG 1 ATOM 746 N N . ALA A 1 97 ? -18.701 16.297 -17.364 1.00 9.65 ? 93 ALA A N 1 ATOM 747 C CA . ALA A 1 97 ? -18.374 16.727 -16.014 1.00 8.20 ? 93 ALA A CA 1 ATOM 748 C C . ALA A 1 97 ? -19.268 17.927 -15.727 1.00 12.45 ? 93 ALA A C 1 ATOM 749 O O . ALA A 1 97 ? -19.717 18.585 -16.656 1.00 11.60 ? 93 ALA A O 1 ATOM 750 C CB . ALA A 1 97 ? -16.893 17.122 -15.889 1.00 8.10 ? 93 ALA A CB 1 ATOM 751 N N . ARG A 1 98 ? -19.546 18.213 -14.466 1.00 6.61 ? 94 ARG A N 1 ATOM 752 C CA . ARG A 1 98 ? -20.370 19.380 -14.151 1.00 7.31 ? 94 ARG A CA 1 ATOM 753 C C . ARG A 1 98 ? -19.519 20.588 -13.662 1.00 12.98 ? 94 ARG A C 1 ATOM 754 O O . ARG A 1 98 ? -18.428 20.417 -13.087 1.00 11.74 ? 94 ARG A O 1 ATOM 755 C CB . ARG A 1 98 ? -21.431 19.006 -13.098 1.00 8.21 ? 94 ARG A CB 1 ATOM 756 C CG . ARG A 1 98 ? -20.853 18.875 -11.677 1.00 11.59 ? 94 ARG A CG 1 ATOM 757 C CD . ARG A 1 98 ? -21.903 18.495 -10.620 1.00 9.87 ? 94 ARG A CD 1 ATOM 758 N NE . ARG A 1 98 ? -21.364 18.723 -9.279 1.00 13.38 ? 94 ARG A NE 1 ATOM 759 C CZ . ARG A 1 98 ? -22.098 18.795 -8.167 1.00 19.57 ? 94 ARG A CZ 1 ATOM 760 N NH1 . ARG A 1 98 ? -23.416 18.605 -8.216 1.00 10.96 ? 94 ARG A NH1 1 ATOM 761 N NH2 . ARG A 1 98 ? -21.522 19.068 -7.002 1.00 11.96 ? 94 ARG A NH2 1 ATOM 762 N N . ARG A 1 99 ? -20.055 21.808 -13.852 1.00 10.60 ? 95 ARG A N 1 ATOM 763 C CA . ARG A 1 99 ? -19.432 23.040 -13.351 1.00 9.81 ? 95 ARG A CA 1 ATOM 764 C C . ARG A 1 99 ? -20.580 23.946 -12.891 1.00 13.51 ? 95 ARG A C 1 ATOM 765 O O . ARG A 1 99 ? -21.493 24.212 -13.683 1.00 12.99 ? 95 ARG A O 1 ATOM 766 C CB . ARG A 1 99 ? -18.590 23.736 -14.434 1.00 10.82 ? 95 ARG A CB 1 ATOM 767 C CG . ARG A 1 99 ? -17.918 24.988 -13.899 1.00 19.44 ? 95 ARG A CG 1 ATOM 768 C CD . ARG A 1 99 ? -16.971 25.600 -14.900 1.00 26.79 ? 95 ARG A CD 1 ATOM 769 N NE . ARG A 1 99 ? -16.342 26.800 -14.352 1.00 20.75 ? 95 ARG A NE 1 ATOM 770 C CZ . ARG A 1 99 ? -16.467 28.012 -14.865 1.00 32.60 ? 95 ARG A CZ 1 ATOM 771 N NH1 . ARG A 1 99 ? -17.240 28.215 -15.919 1.00 30.09 ? 95 ARG A NH1 1 ATOM 772 N NH2 . ARG A 1 99 ? -15.847 29.038 -14.309 1.00 25.81 ? 95 ARG A NH2 1 ATOM 773 N N . ARG A 1 100 ? -20.546 24.391 -11.621 1.00 7.91 ? 96 ARG A N 1 ATOM 774 C CA . ARG A 1 100 ? -21.609 25.234 -11.075 1.00 9.49 ? 96 ARG A CA 1 ATOM 775 C C . ARG A 1 100 ? -21.815 26.540 -11.775 1.00 14.50 ? 96 ARG A C 1 ATOM 776 O O . ARG A 1 100 ? -20.847 27.212 -12.152 1.00 12.59 ? 96 ARG A O 1 ATOM 777 C CB . ARG A 1 100 ? -21.431 25.497 -9.571 1.00 8.71 ? 96 ARG A CB 1 ATOM 778 C CG . ARG A 1 100 ? -22.784 25.654 -8.858 1.00 10.85 ? 96 ARG A CG 1 ATOM 779 C CD . ARG A 1 100 ? -22.617 26.364 -7.530 1.00 15.72 ? 96 ARG A CD 1 ATOM 780 N NE . ARG A 1 100 ? -23.882 26.412 -6.786 1.00 13.30 ? 96 ARG A NE 1 ATOM 781 C CZ . ARG A 1 100 ? -24.839 27.316 -6.980 1.00 24.60 ? 96 ARG A CZ 1 ATOM 782 N NH1 . ARG A 1 100 ? -24.700 28.260 -7.914 1.00 11.91 ? 96 ARG A NH1 1 ATOM 783 N NH2 . ARG A 1 100 ? -25.948 27.280 -6.253 1.00 25.98 ? 96 ARG A NH2 1 ATOM 784 N N . VAL A 1 101 ? -23.122 26.921 -11.919 1.00 12.04 ? 97 VAL A N 1 ATOM 785 C CA . VAL A 1 101 ? -23.520 28.252 -12.376 1.00 11.76 ? 97 VAL A CA 1 ATOM 786 C C . VAL A 1 101 ? -22.913 29.206 -11.316 1.00 13.22 ? 97 VAL A C 1 ATOM 787 O O . VAL A 1 101 ? -22.900 28.883 -10.123 1.00 11.17 ? 97 VAL A O 1 ATOM 788 C CB . VAL A 1 101 ? -25.079 28.398 -12.420 1.00 15.94 ? 97 VAL A CB 1 ATOM 789 C CG1 . VAL A 1 101 ? -25.508 29.873 -12.476 1.00 16.71 ? 97 VAL A CG1 1 ATOM 790 C CG2 . VAL A 1 101 ? -25.678 27.620 -13.593 1.00 14.86 ? 97 VAL A CG2 1 ATOM 791 N N . TYR A 1 102 ? -22.325 30.335 -11.757 1.00 10.26 ? 98 TYR A N 1 ATOM 792 C CA . TYR A 1 102 ? -21.748 31.297 -10.807 1.00 8.49 ? 98 TYR A CA 1 ATOM 793 C C . TYR A 1 102 ? -22.780 31.948 -9.893 1.00 11.91 ? 98 TYR A C 1 ATOM 794 O O . TYR A 1 102 ? -23.750 32.543 -10.369 1.00 13.52 ? 98 TYR A O 1 ATOM 795 C CB . TYR A 1 102 ? -20.991 32.410 -11.543 1.00 10.74 ? 98 TYR A CB 1 ATOM 796 C CG . TYR A 1 102 ? -20.281 33.341 -10.585 1.00 11.70 ? 98 TYR A CG 1 ATOM 797 C CD1 . TYR A 1 102 ? -19.038 33.002 -10.047 1.00 13.83 ? 98 TYR A CD1 1 ATOM 798 C CD2 . TYR A 1 102 ? -20.880 34.533 -10.158 1.00 11.97 ? 98 TYR A CD2 1 ATOM 799 C CE1 . TYR A 1 102 ? -18.396 33.834 -9.127 1.00 12.18 ? 98 TYR A CE1 1 ATOM 800 C CE2 . TYR A 1 102 ? -20.240 35.378 -9.239 1.00 11.81 ? 98 TYR A CE2 1 ATOM 801 C CZ . TYR A 1 102 ? -19.008 35.012 -8.717 1.00 15.74 ? 98 TYR A CZ 1 ATOM 802 O OH . TYR A 1 102 ? -18.367 35.821 -7.810 1.00 15.83 ? 98 TYR A OH 1 ATOM 803 N N . TYR A 1 103 ? -22.519 31.914 -8.586 1.00 9.40 ? 99 TYR A N 1 ATOM 804 C CA . TYR A 1 103 ? -23.348 32.579 -7.571 1.00 9.87 ? 99 TYR A CA 1 ATOM 805 C C . TYR A 1 103 ? -22.492 32.932 -6.375 1.00 13.87 ? 99 TYR A C 1 ATOM 806 O O . TYR A 1 103 ? -22.498 32.241 -5.342 1.00 15.99 ? 99 TYR A O 1 ATOM 807 C CB . TYR A 1 103 ? -24.580 31.747 -7.173 1.00 12.89 ? 99 TYR A CB 1 ATOM 808 C CG . TYR A 1 103 ? -25.610 32.608 -6.470 1.00 16.55 ? 99 TYR A CG 1 ATOM 809 C CD1 . TYR A 1 103 ? -26.234 33.668 -7.131 1.00 18.91 ? 99 TYR A CD1 1 ATOM 810 C CD2 . TYR A 1 103 ? -25.956 32.370 -5.146 1.00 18.29 ? 99 TYR A CD2 1 ATOM 811 C CE1 . TYR A 1 103 ? -27.146 34.500 -6.475 1.00 18.46 ? 99 TYR A CE1 1 ATOM 812 C CE2 . TYR A 1 103 ? -26.902 33.168 -4.491 1.00 19.93 ? 99 TYR A CE2 1 ATOM 813 C CZ . TYR A 1 103 ? -27.500 34.226 -5.163 1.00 26.35 ? 99 TYR A CZ 1 ATOM 814 O OH . TYR A 1 103 ? -28.422 35.022 -4.527 1.00 24.76 ? 99 TYR A OH 1 ATOM 815 N N . GLY A 1 104 ? -21.704 33.984 -6.549 1.00 11.40 ? 100 GLY A N 1 ATOM 816 C CA . GLY A 1 104 ? -20.787 34.479 -5.530 1.00 10.93 ? 100 GLY A CA 1 ATOM 817 C C . GLY A 1 104 ? -19.507 33.661 -5.463 1.00 13.51 ? 100 GLY A C 1 ATOM 818 O O . GLY A 1 104 ? -19.346 32.652 -6.154 1.00 12.92 ? 100 GLY A O 1 ATOM 819 N N . SER A 1 105 A -18.584 34.108 -4.624 1.00 10.85 ? 100 SER A N 1 ATOM 820 C CA . SER A 1 105 A -17.244 33.549 -4.522 1.00 10.87 ? 100 SER A CA 1 ATOM 821 C C . SER A 1 105 A -17.135 32.223 -3.792 1.00 13.62 ? 100 SER A C 1 ATOM 822 O O . SER A 1 105 A -16.081 31.612 -3.851 1.00 13.72 ? 100 SER A O 1 ATOM 823 C CB . SER A 1 105 A -16.351 34.550 -3.786 1.00 12.60 ? 100 SER A CB 1 ATOM 824 O OG . SER A 1 105 A -16.453 35.834 -4.378 1.00 17.16 ? 100 SER A OG 1 ATOM 825 N N . ASN A 1 106 B -18.184 31.788 -3.096 1.00 10.10 ? 100 ASN A N 1 ATOM 826 C CA . ASN A 1 106 B -18.031 30.688 -2.137 1.00 9.71 ? 100 ASN A CA 1 ATOM 827 C C . ASN A 1 106 B -18.561 29.337 -2.570 1.00 12.16 ? 100 ASN A C 1 ATOM 828 O O . ASN A 1 106 B -19.091 28.572 -1.745 1.00 12.12 ? 100 ASN A O 1 ATOM 829 C CB . ASN A 1 106 B -18.634 31.119 -0.779 1.00 11.08 ? 100 ASN A CB 1 ATOM 830 C CG . ASN A 1 106 B -18.111 32.473 -0.363 1.00 20.11 ? 100 ASN A CG 1 ATOM 831 O OD1 . ASN A 1 106 B -18.869 33.427 -0.204 1.00 17.30 ? 100 ASN A OD1 1 ATOM 832 N ND2 . ASN A 1 106 B -16.797 32.613 -0.265 1.00 11.33 ? 100 ASN A ND2 1 ATOM 833 N N . TYR A 1 107 C -18.287 28.993 -3.829 1.00 8.36 ? 100 TYR A N 1 ATOM 834 C CA . TYR A 1 107 C -18.549 27.698 -4.416 1.00 8.80 ? 100 TYR A CA 1 ATOM 835 C C . TYR A 1 107 C -17.291 27.256 -5.172 1.00 12.07 ? 100 TYR A C 1 ATOM 836 O O . TYR A 1 107 C -16.381 28.054 -5.401 1.00 9.72 ? 100 TYR A O 1 ATOM 837 C CB . TYR A 1 107 C -19.753 27.739 -5.346 1.00 10.12 ? 100 TYR A CB 1 ATOM 838 C CG . TYR A 1 107 C -21.072 27.787 -4.610 1.00 9.23 ? 100 TYR A CG 1 ATOM 839 C CD1 . TYR A 1 107 C -21.561 26.665 -3.932 1.00 10.15 ? 100 TYR A CD1 1 ATOM 840 C CD2 . TYR A 1 107 C -21.824 28.956 -4.568 1.00 9.82 ? 100 TYR A CD2 1 ATOM 841 C CE1 . TYR A 1 107 C -22.799 26.697 -3.291 1.00 13.10 ? 100 TYR A CE1 1 ATOM 842 C CE2 . TYR A 1 107 C -23.063 29.002 -3.922 1.00 10.27 ? 100 TYR A CE2 1 ATOM 843 C CZ . TYR A 1 107 C -23.547 27.868 -3.296 1.00 13.79 ? 100 TYR A CZ 1 ATOM 844 O OH . TYR A 1 107 C -24.732 27.934 -2.626 1.00 14.93 ? 100 TYR A OH 1 ATOM 845 N N . ILE A 1 108 D -17.210 25.980 -5.489 1.00 9.60 ? 100 ILE A N 1 ATOM 846 C CA . ILE A 1 108 D -16.086 25.479 -6.260 1.00 10.64 ? 100 ILE A CA 1 ATOM 847 C C . ILE A 1 108 D -16.506 25.583 -7.716 1.00 11.63 ? 100 ILE A C 1 ATOM 848 O O . ILE A 1 108 D -17.573 25.093 -8.066 1.00 11.42 ? 100 ILE A O 1 ATOM 849 C CB . ILE A 1 108 D -15.749 24.027 -5.851 1.00 12.84 ? 100 ILE A CB 1 ATOM 850 C CG1 . ILE A 1 108 D -15.095 24.005 -4.443 1.00 14.09 ? 100 ILE A CG1 1 ATOM 851 C CG2 . ILE A 1 108 D -14.856 23.396 -6.917 1.00 11.58 ? 100 ILE A CG2 1 ATOM 852 C CD1 . ILE A 1 108 D -15.067 22.597 -3.817 1.00 12.70 ? 100 ILE A CD1 1 ATOM 853 N N . TYR A 1 109 E -15.666 26.199 -8.563 1.00 8.43 ? 100 TYR A N 1 ATOM 854 C CA . TYR A 1 109 E -15.968 26.370 -9.984 1.00 7.95 ? 100 TYR A CA 1 ATOM 855 C C . TYR A 1 109 E -15.097 25.484 -10.897 1.00 11.88 ? 100 TYR A C 1 ATOM 856 O O . TYR A 1 109 E -15.144 25.604 -12.128 1.00 9.16 ? 100 TYR A O 1 ATOM 857 C CB . TYR A 1 109 E -15.925 27.847 -10.351 1.00 8.27 ? 100 TYR A CB 1 ATOM 858 C CG . TYR A 1 109 E -17.028 28.593 -9.630 1.00 7.76 ? 100 TYR A CG 1 ATOM 859 C CD1 . TYR A 1 109 E -18.369 28.266 -9.837 1.00 9.72 ? 100 TYR A CD1 1 ATOM 860 C CD2 . TYR A 1 109 E -16.734 29.610 -8.723 1.00 7.88 ? 100 TYR A CD2 1 ATOM 861 C CE1 . TYR A 1 109 E -19.389 28.913 -9.142 1.00 8.65 ? 100 TYR A CE1 1 ATOM 862 C CE2 . TYR A 1 109 E -17.751 30.273 -8.028 1.00 9.06 ? 100 TYR A CE2 1 ATOM 863 C CZ . TYR A 1 109 E -19.080 29.918 -8.246 1.00 13.00 ? 100 TYR A CZ 1 ATOM 864 O OH . TYR A 1 109 E -20.122 30.561 -7.610 1.00 10.67 ? 100 TYR A OH 1 ATOM 865 N N . ALA A 1 110 F -14.363 24.540 -10.273 1.00 9.37 ? 100 ALA A N 1 ATOM 866 C CA . ALA A 1 110 F -13.591 23.526 -10.994 1.00 9.38 ? 100 ALA A CA 1 ATOM 867 C C . ALA A 1 110 F -14.586 22.358 -11.319 1.00 10.95 ? 100 ALA A C 1 ATOM 868 O O . ALA A 1 110 F -15.779 22.461 -10.991 1.00 9.79 ? 100 ALA A O 1 ATOM 869 C CB . ALA A 1 110 F -12.428 23.059 -10.146 1.00 9.47 ? 100 ALA A CB 1 ATOM 870 N N . LEU A 1 111 G -14.136 21.312 -12.016 1.00 8.50 ? 100 LEU A N 1 ATOM 871 C CA . LEU A 1 111 G -15.035 20.197 -12.395 1.00 8.42 ? 100 LEU A CA 1 ATOM 872 C C . LEU A 1 111 G -14.971 19.126 -11.312 1.00 10.45 ? 100 LEU A C 1 ATOM 873 O O . LEU A 1 111 G -14.089 18.275 -11.326 1.00 9.91 ? 100 LEU A O 1 ATOM 874 C CB . LEU A 1 111 G -14.689 19.633 -13.772 1.00 9.17 ? 100 LEU A CB 1 ATOM 875 C CG . LEU A 1 111 G -14.506 20.651 -14.913 1.00 14.81 ? 100 LEU A CG 1 ATOM 876 C CD1 . LEU A 1 111 G -14.295 19.948 -16.262 1.00 13.66 ? 100 LEU A CD1 1 ATOM 877 C CD2 . LEU A 1 111 G -15.564 21.738 -14.931 1.00 17.41 ? 100 LEU A CD2 1 ATOM 878 N N . ASP A 1 112 ? -15.874 19.213 -10.329 1.00 9.82 ? 101 ASP A N 1 ATOM 879 C CA . ASP A 1 112 ? -15.807 18.324 -9.151 1.00 11.06 ? 101 ASP A CA 1 ATOM 880 C C . ASP A 1 112 ? -16.302 16.883 -9.372 1.00 13.16 ? 101 ASP A C 1 ATOM 881 O O . ASP A 1 112 ? -15.782 15.969 -8.729 1.00 14.02 ? 101 ASP A O 1 ATOM 882 C CB . ASP A 1 112 ? -16.511 18.961 -7.934 1.00 12.36 ? 101 ASP A CB 1 ATOM 883 C CG . ASP A 1 112 ? -17.984 19.313 -8.120 1.00 15.54 ? 101 ASP A CG 1 ATOM 884 O OD1 . ASP A 1 112 ? -18.476 19.275 -9.284 1.00 12.11 ? 101 ASP A OD1 1 ATOM 885 O OD2 . ASP A 1 112 ? -18.643 19.659 -7.107 1.00 16.00 ? 101 ASP A OD2 1 ATOM 886 N N . TYR A 1 113 ? -17.277 16.669 -10.254 1.00 8.35 ? 102 TYR A N 1 ATOM 887 C CA . TYR A 1 113 ? -17.827 15.357 -10.558 1.00 8.51 ? 102 TYR A CA 1 ATOM 888 C C . TYR A 1 113 ? -17.787 15.135 -12.051 1.00 10.77 ? 102 TYR A C 1 ATOM 889 O O . TYR A 1 113 ? -18.128 16.042 -12.819 1.00 8.48 ? 102 TYR A O 1 ATOM 890 C CB . TYR A 1 113 ? -19.290 15.214 -10.078 1.00 10.33 ? 102 TYR A CB 1 ATOM 891 C CG . TYR A 1 113 ? -19.383 14.986 -8.588 1.00 12.37 ? 102 TYR A CG 1 ATOM 892 C CD1 . TYR A 1 113 ? -19.382 16.061 -7.698 1.00 14.57 ? 102 TYR A CD1 1 ATOM 893 C CD2 . TYR A 1 113 ? -19.413 13.696 -8.058 1.00 13.03 ? 102 TYR A CD2 1 ATOM 894 C CE1 . TYR A 1 113 ? -19.450 15.860 -6.322 1.00 14.11 ? 102 TYR A CE1 1 ATOM 895 C CE2 . TYR A 1 113 ? -19.470 13.487 -6.677 1.00 14.38 ? 102 TYR A CE2 1 ATOM 896 C CZ . TYR A 1 113 ? -19.483 14.573 -5.817 1.00 18.83 ? 102 TYR A CZ 1 ATOM 897 O OH . TYR A 1 113 ? -19.570 14.395 -4.456 1.00 19.52 ? 102 TYR A OH 1 ATOM 898 N N . TRP A 1 114 ? -17.461 13.892 -12.440 1.00 8.50 ? 103 TRP A N 1 ATOM 899 C CA . TRP A 1 114 ? -17.281 13.487 -13.836 1.00 9.61 ? 103 TRP A CA 1 ATOM 900 C C . TRP A 1 114 ? -18.013 12.205 -14.117 1.00 12.39 ? 103 TRP A C 1 ATOM 901 O O . TRP A 1 114 ? -18.122 11.361 -13.218 1.00 9.81 ? 103 TRP A O 1 ATOM 902 C CB . TRP A 1 114 ? -15.788 13.203 -14.069 1.00 8.72 ? 103 TRP A CB 1 ATOM 903 C CG . TRP A 1 114 ? -14.893 14.412 -14.039 1.00 8.31 ? 103 TRP A CG 1 ATOM 904 C CD1 . TRP A 1 114 ? -14.564 15.163 -12.952 1.00 10.69 ? 103 TRP A CD1 1 ATOM 905 C CD2 . TRP A 1 114 ? -14.071 14.874 -15.113 1.00 7.77 ? 103 TRP A CD2 1 ATOM 906 N NE1 . TRP A 1 114 ? -13.656 16.132 -13.304 1.00 10.72 ? 103 TRP A NE1 1 ATOM 907 C CE2 . TRP A 1 114 ? -13.343 15.984 -14.634 1.00 11.75 ? 103 TRP A CE2 1 ATOM 908 C CE3 . TRP A 1 114 ? -13.925 14.491 -16.472 1.00 9.11 ? 103 TRP A CE3 1 ATOM 909 C CZ2 . TRP A 1 114 ? -12.462 16.714 -15.447 1.00 10.78 ? 103 TRP A CZ2 1 ATOM 910 C CZ3 . TRP A 1 114 ? -13.066 15.223 -17.292 1.00 11.10 ? 103 TRP A CZ3 1 ATOM 911 C CH2 . TRP A 1 114 ? -12.341 16.318 -16.783 1.00 11.54 ? 103 TRP A CH2 1 ATOM 912 N N . GLY A 1 115 ? -18.435 12.024 -15.377 1.00 10.28 ? 104 GLY A N 1 ATOM 913 C CA . GLY A 1 115 ? -19.014 10.755 -15.820 1.00 10.73 ? 104 GLY A CA 1 ATOM 914 C C . GLY A 1 115 ? -17.894 9.742 -16.010 1.00 13.66 ? 104 GLY A C 1 ATOM 915 O O . GLY A 1 115 ? -16.704 10.110 -15.968 1.00 9.65 ? 104 GLY A O 1 ATOM 916 N N . GLN A 1 116 ? -18.251 8.456 -16.250 1.00 11.58 ? 105 GLN A N 1 ATOM 917 C CA . GLN A 1 116 ? -17.261 7.380 -16.403 1.00 12.56 ? 105 GLN A CA 1 ATOM 918 C C . GLN A 1 116 ? -16.575 7.322 -17.806 1.00 14.06 ? 105 GLN A C 1 ATOM 919 O O . GLN A 1 116 ? -15.626 6.548 -17.996 1.00 13.45 ? 105 GLN A O 1 ATOM 920 C CB . GLN A 1 116 ? -17.889 6.014 -16.022 1.00 14.07 ? 105 GLN A CB 1 ATOM 921 C CG . GLN A 1 116 ? -18.655 5.309 -17.139 1.00 18.31 ? 105 GLN A CG 1 ATOM 922 C CD . GLN A 1 116 ? -20.056 5.823 -17.403 1.00 25.92 ? 105 GLN A CD 1 ATOM 923 O OE1 . GLN A 1 116 ? -20.469 6.890 -16.959 1.00 18.00 ? 105 GLN A OE1 1 ATOM 924 N NE2 . GLN A 1 116 ? -20.825 5.062 -18.162 1.00 14.83 ? 105 GLN A NE2 1 ATOM 925 N N . GLY A 1 117 ? -17.053 8.137 -18.750 1.00 11.24 ? 106 GLY A N 1 ATOM 926 C CA . GLY A 1 117 ? -16.514 8.165 -20.100 1.00 11.76 ? 106 GLY A CA 1 ATOM 927 C C . GLY A 1 117 ? -17.288 7.253 -21.043 1.00 17.40 ? 106 GLY A C 1 ATOM 928 O O . GLY A 1 117 ? -17.860 6.234 -20.611 1.00 16.01 ? 106 GLY A O 1 ATOM 929 N N . THR A 1 118 ? -17.372 7.673 -22.312 1.00 14.14 ? 107 THR A N 1 ATOM 930 C CA . THR A 1 118 ? -17.993 6.922 -23.413 1.00 15.16 ? 107 THR A CA 1 ATOM 931 C C . THR A 1 118 ? -16.972 6.852 -24.554 1.00 15.59 ? 107 THR A C 1 ATOM 932 O O . THR A 1 118 ? -16.464 7.880 -25.010 1.00 13.33 ? 107 THR A O 1 ATOM 933 C CB . THR A 1 118 ? -19.310 7.590 -23.920 1.00 18.62 ? 107 THR A CB 1 ATOM 934 O OG1 . THR A 1 118 ? -20.282 7.609 -22.881 1.00 16.91 ? 107 THR A OG1 1 ATOM 935 C CG2 . THR A 1 118 ? -19.900 6.882 -25.150 1.00 17.31 ? 107 THR A CG2 1 ATOM 936 N N . SER A 1 119 ? -16.716 5.641 -25.010 1.00 13.09 ? 108 SER A N 1 ATOM 937 C CA . SER A 1 119 ? -15.828 5.301 -26.108 1.00 14.08 ? 108 SER A CA 1 ATOM 938 C C . SER A 1 119 ? -16.607 5.416 -27.425 1.00 16.22 ? 108 SER A C 1 ATOM 939 O O . SER A 1 119 ? -17.767 4.991 -27.509 1.00 15.28 ? 108 SER A O 1 ATOM 940 C CB . SER A 1 119 ? -15.350 3.863 -25.892 1.00 20.24 ? 108 SER A CB 1 ATOM 941 O OG . SER A 1 119 ? -14.567 3.330 -26.938 1.00 31.26 ? 108 SER A OG 1 ATOM 942 N N . VAL A 1 120 ? -15.996 6.042 -28.430 1.00 13.17 ? 109 VAL A N 1 ATOM 943 C CA . VAL A 1 120 ? -16.534 6.170 -29.793 1.00 11.42 ? 109 VAL A CA 1 ATOM 944 C C . VAL A 1 120 ? -15.444 5.615 -30.709 1.00 16.80 ? 109 VAL A C 1 ATOM 945 O O . VAL A 1 120 ? -14.288 6.043 -30.609 1.00 17.00 ? 109 VAL A O 1 ATOM 946 C CB . VAL A 1 120 ? -16.901 7.632 -30.203 1.00 15.00 ? 109 VAL A CB 1 ATOM 947 C CG1 . VAL A 1 120 ? -17.380 7.686 -31.656 1.00 14.26 ? 109 VAL A CG1 1 ATOM 948 C CG2 . VAL A 1 120 ? -17.948 8.238 -29.269 1.00 14.26 ? 109 VAL A CG2 1 ATOM 949 N N . THR A 1 121 ? -15.800 4.661 -31.593 1.00 12.58 ? 110 THR A N 1 ATOM 950 C CA . THR A 1 121 ? -14.852 4.078 -32.535 1.00 12.96 ? 110 THR A CA 1 ATOM 951 C C . THR A 1 121 ? -15.415 4.265 -33.922 1.00 16.61 ? 110 THR A C 1 ATOM 952 O O . THR A 1 121 ? -16.537 3.847 -34.178 1.00 15.16 ? 110 THR A O 1 ATOM 953 C CB . THR A 1 121 ? -14.629 2.597 -32.271 1.00 18.95 ? 110 THR A CB 1 ATOM 954 O OG1 . THR A 1 121 ? -14.231 2.425 -30.920 1.00 20.09 ? 110 THR A OG1 1 ATOM 955 C CG2 . THR A 1 121 ? -13.552 1.981 -33.233 1.00 19.54 ? 110 THR A CG2 1 ATOM 956 N N . VAL A 1 122 ? -14.648 4.904 -34.799 1.00 14.07 ? 111 VAL A N 1 ATOM 957 C CA . VAL A 1 122 ? -15.062 5.160 -36.163 1.00 14.84 ? 111 VAL A CA 1 ATOM 958 C C . VAL A 1 122 ? -14.364 4.159 -37.077 1.00 20.68 ? 111 VAL A C 1 ATOM 959 O O . VAL A 1 122 ? -13.139 4.047 -37.073 1.00 19.65 ? 111 VAL A O 1 ATOM 960 C CB . VAL A 1 122 ? -14.839 6.634 -36.573 1.00 18.75 ? 111 VAL A CB 1 ATOM 961 C CG1 . VAL A 1 122 ? -15.215 6.868 -38.048 1.00 18.57 ? 111 VAL A CG1 1 ATOM 962 C CG2 . VAL A 1 122 ? -15.636 7.574 -35.658 1.00 18.57 ? 111 VAL A CG2 1 ATOM 963 N N . SER A 1 123 ? -15.159 3.384 -37.807 1.00 19.72 ? 112 SER A N 1 ATOM 964 C CA . SER A 1 123 ? -14.652 2.383 -38.740 1.00 18.59 ? 112 SER A CA 1 ATOM 965 C C . SER A 1 123 ? -15.721 2.029 -39.756 1.00 20.82 ? 112 SER A C 1 ATOM 966 O O . SER A 1 123 ? -16.904 1.979 -39.424 1.00 17.99 ? 112 SER A O 1 ATOM 967 C CB . SER A 1 123 ? -14.220 1.126 -37.985 1.00 20.44 ? 112 SER A CB 1 ATOM 968 O OG . SER A 1 123 ? -13.982 0.038 -38.858 1.00 27.98 ? 112 SER A OG 1 ATOM 969 N N . ALA A 1 124 ? -15.283 1.708 -40.972 1.00 20.74 ? 113 ALA A N 1 ATOM 970 C CA . ALA A 1 124 ? -16.160 1.273 -42.070 1.00 22.29 ? 113 ALA A CA 1 ATOM 971 C C . ALA A 1 124 ? -16.509 -0.225 -41.914 1.00 27.32 ? 113 ALA A C 1 ATOM 972 O O . ALA A 1 124 ? -17.447 -0.706 -42.544 1.00 27.33 ? 113 ALA A O 1 ATOM 973 C CB . ALA A 1 124 ? -15.449 1.507 -43.397 1.00 23.41 ? 113 ALA A CB 1 ATOM 974 N N . ALA A 1 125 ? -15.789 -0.950 -41.029 1.00 23.75 ? 114 ALA A N 1 ATOM 975 C CA . ALA A 1 125 ? -15.945 -2.394 -40.855 1.00 23.74 ? 114 ALA A CA 1 ATOM 976 C C . ALA A 1 125 ? -17.233 -2.875 -40.201 1.00 28.24 ? 114 ALA A C 1 ATOM 977 O O . ALA A 1 125 ? -17.796 -2.231 -39.318 1.00 28.62 ? 114 ALA A O 1 ATOM 978 C CB . ALA A 1 125 ? -14.755 -2.955 -40.087 1.00 24.42 ? 114 ALA A CB 1 ATOM 979 N N . LYS A 1 126 ? -17.668 -4.058 -40.633 1.00 24.27 ? 115 LYS A N 1 ATOM 980 C CA . LYS A 1 126 ? -18.784 -4.817 -40.060 1.00 23.19 ? 115 LYS A CA 1 ATOM 981 C C . LYS A 1 126 ? -18.114 -5.754 -39.028 1.00 23.02 ? 115 LYS A C 1 ATOM 982 O O . LYS A 1 126 ? -16.892 -5.921 -39.078 1.00 20.80 ? 115 LYS A O 1 ATOM 983 C CB . LYS A 1 126 ? -19.456 -5.683 -41.160 1.00 26.43 ? 115 LYS A CB 1 ATOM 984 C CG . LYS A 1 126 ? -19.991 -4.908 -42.376 1.00 47.21 ? 115 LYS A CG 1 ATOM 985 C CD . LYS A 1 126 ? -21.373 -4.298 -42.150 1.00 63.38 ? 115 LYS A CD 1 ATOM 986 C CE . LYS A 1 126 ? -21.640 -3.136 -43.082 1.00 79.85 ? 115 LYS A CE 1 ATOM 987 N NZ . LYS A 1 126 ? -20.885 -1.909 -42.685 1.00 90.72 ? 115 LYS A NZ 1 ATOM 988 N N . THR A 1 127 ? -18.888 -6.384 -38.137 1.00 20.37 ? 116 THR A N 1 ATOM 989 C CA . THR A 1 127 ? -18.353 -7.359 -37.179 1.00 21.70 ? 116 THR A CA 1 ATOM 990 C C . THR A 1 127 ? -17.558 -8.441 -37.950 1.00 24.13 ? 116 THR A C 1 ATOM 991 O O . THR A 1 127 ? -18.108 -9.090 -38.835 1.00 22.87 ? 116 THR A O 1 ATOM 992 C CB . THR A 1 127 ? -19.482 -7.987 -36.349 1.00 31.94 ? 116 THR A CB 1 ATOM 993 O OG1 . THR A 1 127 ? -20.192 -6.948 -35.676 1.00 34.23 ? 116 THR A OG1 1 ATOM 994 C CG2 . THR A 1 127 ? -18.975 -9.007 -35.348 1.00 31.11 ? 116 THR A CG2 1 ATOM 995 N N . THR A 1 128 ? -16.263 -8.574 -37.655 1.00 19.69 ? 117 THR A N 1 ATOM 996 C CA . THR A 1 128 ? -15.390 -9.527 -38.347 1.00 19.26 ? 117 THR A CA 1 ATOM 997 C C . THR A 1 128 ? -14.619 -10.320 -37.304 1.00 21.92 ? 117 THR A C 1 ATOM 998 O O . THR A 1 128 ? -14.056 -9.733 -36.370 1.00 18.94 ? 117 THR A O 1 ATOM 999 C CB . THR A 1 128 ? -14.453 -8.785 -39.315 1.00 26.32 ? 117 THR A CB 1 ATOM 1000 O OG1 . THR A 1 128 ? -15.211 -7.869 -40.101 1.00 25.89 ? 117 THR A OG1 1 ATOM 1001 C CG2 . THR A 1 128 ? -13.670 -9.724 -40.236 1.00 28.54 ? 117 THR A CG2 1 ATOM 1002 N N . ALA A 1 129 ? -14.616 -11.655 -37.452 1.00 18.51 ? 118 ALA A N 1 ATOM 1003 C CA . ALA A 1 129 ? -13.885 -12.523 -36.551 1.00 17.91 ? 118 ALA A CA 1 ATOM 1004 C C . ALA A 1 129 ? -12.364 -12.350 -36.806 1.00 21.06 ? 118 ALA A C 1 ATOM 1005 O O . ALA A 1 129 ? -11.971 -11.995 -37.923 1.00 18.25 ? 118 ALA A O 1 ATOM 1006 C CB . ALA A 1 129 ? -14.288 -13.971 -36.795 1.00 19.28 ? 118 ALA A CB 1 ATOM 1007 N N . PRO A 1 130 ? -11.483 -12.571 -35.797 1.00 19.72 ? 119 PRO A N 1 ATOM 1008 C CA . PRO A 1 130 ? -10.049 -12.429 -36.059 1.00 20.02 ? 119 PRO A CA 1 ATOM 1009 C C . PRO A 1 130 ? -9.408 -13.665 -36.717 1.00 22.96 ? 119 PRO A C 1 ATOM 1010 O O . PRO A 1 130 ? -9.871 -14.799 -36.549 1.00 22.09 ? 119 PRO A O 1 ATOM 1011 C CB . PRO A 1 130 ? -9.473 -12.243 -34.657 1.00 22.17 ? 119 PRO A CB 1 ATOM 1012 C CG . PRO A 1 130 ? -10.377 -13.005 -33.762 1.00 26.33 ? 119 PRO A CG 1 ATOM 1013 C CD . PRO A 1 130 ? -11.743 -12.948 -34.388 1.00 22.09 ? 119 PRO A CD 1 ATOM 1014 N N . SER A 1 131 ? -8.292 -13.437 -37.406 1.00 18.78 ? 120 SER A N 1 ATOM 1015 C CA . SER A 1 131 ? -7.422 -14.504 -37.886 1.00 19.09 ? 120 SER A CA 1 ATOM 1016 C C . SER A 1 131 ? -6.373 -14.617 -36.767 1.00 21.01 ? 120 SER A C 1 ATOM 1017 O O . SER A 1 131 ? -5.907 -13.599 -36.263 1.00 21.09 ? 120 SER A O 1 ATOM 1018 C CB . SER A 1 131 ? -6.764 -14.119 -39.206 1.00 23.23 ? 120 SER A CB 1 ATOM 1019 O OG . SER A 1 131 ? -7.770 -14.035 -40.195 1.00 29.00 ? 120 SER A OG 1 ATOM 1020 N N . VAL A 1 132 ? -6.068 -15.831 -36.327 1.00 17.38 ? 121 VAL A N 1 ATOM 1021 C CA . VAL A 1 132 ? -5.148 -16.062 -35.211 1.00 16.76 ? 121 VAL A CA 1 ATOM 1022 C C . VAL A 1 132 ? -4.010 -16.890 -35.740 1.00 21.12 ? 121 VAL A C 1 ATOM 1023 O O . VAL A 1 132 ? -4.237 -17.968 -36.296 1.00 21.22 ? 121 VAL A O 1 ATOM 1024 C CB . VAL A 1 132 ? -5.833 -16.722 -33.990 1.00 18.85 ? 121 VAL A CB 1 ATOM 1025 C CG1 . VAL A 1 132 ? -4.843 -16.870 -32.826 1.00 17.66 ? 121 VAL A CG1 1 ATOM 1026 C CG2 . VAL A 1 132 ? -7.078 -15.932 -33.561 1.00 18.33 ? 121 VAL A CG2 1 ATOM 1027 N N . TYR A 1 133 ? -2.796 -16.354 -35.617 1.00 16.33 ? 122 TYR A N 1 ATOM 1028 C CA . TYR A 1 133 ? -1.594 -16.962 -36.166 1.00 15.34 ? 122 TYR A CA 1 ATOM 1029 C C . TYR A 1 133 ? -0.584 -17.308 -35.095 1.00 20.71 ? 122 TYR A C 1 ATOM 1030 O O . TYR A 1 133 ? -0.157 -16.420 -34.346 1.00 19.25 ? 122 TYR A O 1 ATOM 1031 C CB . TYR A 1 133 ? -0.961 -16.027 -37.214 1.00 16.03 ? 122 TYR A CB 1 ATOM 1032 C CG . TYR A 1 133 ? -1.898 -15.625 -38.332 1.00 17.08 ? 122 TYR A CG 1 ATOM 1033 C CD1 . TYR A 1 133 ? -2.545 -16.587 -39.108 1.00 19.34 ? 122 TYR A CD1 1 ATOM 1034 C CD2 . TYR A 1 133 ? -2.095 -14.288 -38.653 1.00 17.46 ? 122 TYR A CD2 1 ATOM 1035 C CE1 . TYR A 1 133 ? -3.412 -16.222 -40.136 1.00 19.22 ? 122 TYR A CE1 1 ATOM 1036 C CE2 . TYR A 1 133 ? -2.930 -13.912 -39.705 1.00 17.71 ? 122 TYR A CE2 1 ATOM 1037 C CZ . TYR A 1 133 ? -3.569 -14.885 -40.456 1.00 22.37 ? 122 TYR A CZ 1 ATOM 1038 O OH . TYR A 1 133 ? -4.406 -14.525 -41.477 1.00 25.49 ? 122 TYR A OH 1 ATOM 1039 N N . PRO A 1 134 ? -0.172 -18.597 -35.041 1.00 19.81 ? 123 PRO A N 1 ATOM 1040 C CA . PRO A 1 134 ? 0.820 -19.009 -34.044 1.00 19.72 ? 123 PRO A CA 1 ATOM 1041 C C . PRO A 1 134 ? 2.212 -18.579 -34.491 1.00 21.71 ? 123 PRO A C 1 ATOM 1042 O O . PRO A 1 134 ? 2.536 -18.738 -35.667 1.00 20.59 ? 123 PRO A O 1 ATOM 1043 C CB . PRO A 1 134 ? 0.664 -20.538 -34.015 1.00 21.99 ? 123 PRO A CB 1 ATOM 1044 C CG . PRO A 1 134 ? 0.199 -20.901 -35.394 1.00 26.70 ? 123 PRO A CG 1 ATOM 1045 C CD . PRO A 1 134 ? -0.603 -19.738 -35.893 1.00 21.91 ? 123 PRO A CD 1 ATOM 1046 N N . LEU A 1 135 ? 3.030 -17.998 -33.579 1.00 17.01 ? 124 LEU A N 1 ATOM 1047 C CA . LEU A 1 135 ? 4.376 -17.553 -33.961 1.00 17.08 ? 124 LEU A CA 1 ATOM 1048 C C . LEU A 1 135 ? 5.440 -18.338 -33.227 1.00 20.89 ? 124 LEU A C 1 ATOM 1049 O O . LEU A 1 135 ? 5.714 -18.102 -32.041 1.00 18.24 ? 124 LEU A O 1 ATOM 1050 C CB . LEU A 1 135 ? 4.600 -16.032 -33.758 1.00 17.49 ? 124 LEU A CB 1 ATOM 1051 C CG . LEU A 1 135 ? 3.535 -15.044 -34.281 1.00 21.27 ? 124 LEU A CG 1 ATOM 1052 C CD1 . LEU A 1 135 ? 3.841 -13.645 -33.816 1.00 20.85 ? 124 LEU A CD1 1 ATOM 1053 C CD2 . LEU A 1 135 ? 3.443 -15.062 -35.788 1.00 21.20 ? 124 LEU A CD2 1 ATOM 1054 N N . ALA A 1 136 ? 6.041 -19.278 -33.948 1.00 19.25 ? 125 ALA A N 1 ATOM 1055 C CA . ALA A 1 136 ? 7.107 -20.133 -33.456 1.00 19.72 ? 125 ALA A CA 1 ATOM 1056 C C . ALA A 1 136 ? 8.449 -19.439 -33.702 1.00 23.83 ? 125 ALA A C 1 ATOM 1057 O O . ALA A 1 136 ? 8.564 -18.722 -34.695 1.00 23.05 ? 125 ALA A O 1 ATOM 1058 C CB . ALA A 1 136 ? 7.088 -21.442 -34.219 1.00 20.95 ? 125 ALA A CB 1 ATOM 1059 N N . PRO A 1 137 ? 9.505 -19.715 -32.886 1.00 22.75 ? 126 PRO A N 1 ATOM 1060 C CA . PRO A 1 137 ? 10.825 -19.103 -33.141 1.00 23.36 ? 126 PRO A CA 1 ATOM 1061 C C . PRO A 1 137 ? 11.375 -19.301 -34.559 1.00 27.83 ? 126 PRO A C 1 ATOM 1062 O O . PRO A 1 137 ? 11.030 -20.263 -35.257 1.00 25.49 ? 126 PRO A O 1 ATOM 1063 C CB . PRO A 1 137 ? 11.723 -19.748 -32.083 1.00 25.28 ? 126 PRO A CB 1 ATOM 1064 C CG . PRO A 1 137 ? 10.779 -20.107 -30.973 1.00 29.08 ? 126 PRO A CG 1 ATOM 1065 C CD . PRO A 1 137 ? 9.546 -20.570 -31.685 1.00 24.26 ? 126 PRO A CD 1 ATOM 1066 N N . VAL A 1 138 ? 12.201 -18.332 -34.990 1.00 25.27 ? 127 VAL A N 1 ATOM 1067 C CA . VAL A 1 138 ? 12.834 -18.230 -36.304 1.00 38.40 ? 127 VAL A CA 1 ATOM 1068 C C . VAL A 1 138 ? 13.748 -19.429 -36.628 1.00 74.62 ? 127 VAL A C 1 ATOM 1069 O O . VAL A 1 138 ? 14.133 -20.175 -35.731 1.00 46.62 ? 127 VAL A O 1 ATOM 1070 C CB . VAL A 1 138 ? 13.565 -16.862 -36.407 1.00 42.02 ? 127 VAL A CB 1 ATOM 1071 C CG1 . VAL A 1 138 ? 14.720 -16.760 -35.416 1.00 41.64 ? 127 VAL A CG1 1 ATOM 1072 C CG2 . VAL A 1 138 ? 14.026 -16.570 -37.830 1.00 41.81 ? 127 VAL A CG2 1 ATOM 1073 N N . GLY A 1 144 ? 19.155 -20.089 -26.804 1.00 46.68 ? 133 GLY A N 1 ATOM 1074 C CA . GLY A 1 144 ? 19.426 -19.399 -25.546 1.00 45.80 ? 133 GLY A CA 1 ATOM 1075 C C . GLY A 1 144 ? 18.897 -20.128 -24.325 1.00 47.45 ? 133 GLY A C 1 ATOM 1076 O O . GLY A 1 144 ? 18.577 -21.322 -24.402 1.00 47.57 ? 133 GLY A O 1 ATOM 1077 N N . SER A 1 145 ? 18.805 -19.408 -23.182 1.00 41.32 ? 134 SER A N 1 ATOM 1078 C CA . SER A 1 145 ? 18.290 -19.958 -21.918 1.00 40.14 ? 134 SER A CA 1 ATOM 1079 C C . SER A 1 145 ? 16.760 -19.962 -21.932 1.00 39.86 ? 134 SER A C 1 ATOM 1080 O O . SER A 1 145 ? 16.128 -20.871 -21.368 1.00 38.42 ? 134 SER A O 1 ATOM 1081 C CB . SER A 1 145 ? 18.795 -19.148 -20.725 1.00 45.15 ? 134 SER A CB 1 ATOM 1082 O OG . SER A 1 145 ? 19.871 -19.790 -20.058 1.00 57.90 ? 134 SER A OG 1 ATOM 1083 N N . SER A 1 146 ? 16.171 -18.938 -22.577 1.00 31.98 ? 135 SER A N 1 ATOM 1084 C CA . SER A 1 146 ? 14.729 -18.789 -22.676 1.00 30.49 ? 135 SER A CA 1 ATOM 1085 C C . SER A 1 146 ? 14.261 -18.744 -24.127 1.00 31.01 ? 135 SER A C 1 ATOM 1086 O O . SER A 1 146 ? 15.047 -18.442 -25.025 1.00 31.43 ? 135 SER A O 1 ATOM 1087 C CB . SER A 1 146 ? 14.276 -17.548 -21.912 1.00 34.82 ? 135 SER A CB 1 ATOM 1088 O OG . SER A 1 146 ? 14.695 -16.356 -22.558 1.00 46.31 ? 135 SER A OG 1 ATOM 1089 N N . VAL A 1 147 ? 12.996 -19.086 -24.364 1.00 24.17 ? 136 VAL A N 1 ATOM 1090 C CA . VAL A 1 147 ? 12.405 -19.037 -25.712 1.00 22.74 ? 136 VAL A CA 1 ATOM 1091 C C . VAL A 1 147 ? 11.206 -18.101 -25.684 1.00 21.10 ? 136 VAL A C 1 ATOM 1092 O O . VAL A 1 147 ? 10.491 -18.068 -24.689 1.00 17.62 ? 136 VAL A O 1 ATOM 1093 C CB . VAL A 1 147 ? 12.035 -20.419 -26.343 1.00 27.14 ? 136 VAL A CB 1 ATOM 1094 C CG1 . VAL A 1 147 ? 13.269 -21.275 -26.584 1.00 27.06 ? 136 VAL A CG1 1 ATOM 1095 C CG2 . VAL A 1 147 ? 11.021 -21.177 -25.505 1.00 27.29 ? 136 VAL A CG2 1 ATOM 1096 N N . THR A 1 148 ? 11.003 -17.340 -26.757 1.00 16.93 ? 137 THR A N 1 ATOM 1097 C CA . THR A 1 148 ? 9.839 -16.452 -26.873 1.00 15.91 ? 137 THR A CA 1 ATOM 1098 C C . THR A 1 148 ? 8.963 -16.960 -28.004 1.00 18.16 ? 137 THR A C 1 ATOM 1099 O O . THR A 1 148 ? 9.434 -17.196 -29.116 1.00 18.09 ? 137 THR A O 1 ATOM 1100 C CB . THR A 1 148 ? 10.207 -14.946 -27.016 1.00 22.26 ? 137 THR A CB 1 ATOM 1101 O OG1 . THR A 1 148 ? 11.010 -14.529 -25.908 1.00 22.07 ? 137 THR A OG1 1 ATOM 1102 C CG2 . THR A 1 148 ? 8.959 -14.046 -27.070 1.00 17.46 ? 137 THR A CG2 1 ATOM 1103 N N . LEU A 1 149 ? 7.690 -17.156 -27.699 1.00 14.89 ? 138 LEU A N 1 ATOM 1104 C CA . LEU A 1 149 ? 6.675 -17.573 -28.668 1.00 13.56 ? 138 LEU A CA 1 ATOM 1105 C C . LEU A 1 149 ? 5.707 -16.419 -28.802 1.00 14.86 ? 138 LEU A C 1 ATOM 1106 O O . LEU A 1 149 ? 5.585 -15.599 -27.897 1.00 15.10 ? 138 LEU A O 1 ATOM 1107 C CB . LEU A 1 149 ? 5.905 -18.831 -28.163 1.00 14.05 ? 138 LEU A CB 1 ATOM 1108 C CG . LEU A 1 149 ? 6.760 -20.009 -27.586 1.00 18.06 ? 138 LEU A CG 1 ATOM 1109 C CD1 . LEU A 1 149 ? 5.851 -21.149 -27.104 1.00 19.95 ? 138 LEU A CD1 1 ATOM 1110 C CD2 . LEU A 1 149 ? 7.714 -20.539 -28.608 1.00 18.47 ? 138 LEU A CD2 1 ATOM 1111 N N . GLY A 1 150 ? 4.992 -16.384 -29.892 1.00 13.71 ? 139 GLY A N 1 ATOM 1112 C CA . GLY A 1 150 ? 4.011 -15.329 -30.080 1.00 14.92 ? 139 GLY A CA 1 ATOM 1113 C C . GLY A 1 150 ? 2.687 -15.806 -30.620 1.00 16.16 ? 139 GLY A C 1 ATOM 1114 O O . GLY A 1 150 ? 2.522 -16.958 -31.029 1.00 12.96 ? 139 GLY A O 1 ATOM 1115 N N . CYS A 1 151 ? 1.752 -14.879 -30.670 1.00 14.62 ? 140 CYS A N 1 ATOM 1116 C CA . CYS A 1 151 ? 0.427 -15.127 -31.197 1.00 16.45 ? 140 CYS A CA 1 ATOM 1117 C C . CYS A 1 151 ? 0.005 -13.813 -31.827 1.00 15.70 ? 140 CYS A C 1 ATOM 1118 O O . CYS A 1 151 ? 0.126 -12.771 -31.188 1.00 13.43 ? 140 CYS A O 1 ATOM 1119 C CB . CYS A 1 151 ? -0.518 -15.558 -30.078 1.00 18.70 ? 140 CYS A CB 1 ATOM 1120 S SG . CYS A 1 151 ? -2.195 -15.978 -30.634 1.00 24.22 ? 140 CYS A SG 1 ATOM 1121 N N . LEU A 1 152 ? -0.368 -13.854 -33.098 1.00 11.84 ? 141 LEU A N 1 ATOM 1122 C CA . LEU A 1 152 ? -0.762 -12.671 -33.858 1.00 11.64 ? 141 LEU A CA 1 ATOM 1123 C C . LEU A 1 152 ? -2.258 -12.761 -34.160 1.00 16.41 ? 141 LEU A C 1 ATOM 1124 O O . LEU A 1 152 ? -2.706 -13.747 -34.729 1.00 15.90 ? 141 LEU A O 1 ATOM 1125 C CB . LEU A 1 152 ? 0.050 -12.578 -35.160 1.00 10.57 ? 141 LEU A CB 1 ATOM 1126 C CG . LEU A 1 152 ? -0.289 -11.439 -36.123 1.00 14.95 ? 141 LEU A CG 1 ATOM 1127 C CD1 . LEU A 1 152 ? -0.133 -10.019 -35.463 1.00 13.90 ? 141 LEU A CD1 1 ATOM 1128 C CD2 . LEU A 1 152 ? 0.545 -11.554 -37.378 1.00 18.98 ? 141 LEU A CD2 1 ATOM 1129 N N . VAL A 1 153 ? -3.016 -11.731 -33.780 1.00 13.72 ? 142 VAL A N 1 ATOM 1130 C CA . VAL A 1 153 ? -4.487 -11.695 -33.940 1.00 12.80 ? 142 VAL A CA 1 ATOM 1131 C C . VAL A 1 153 ? -4.774 -10.537 -34.888 1.00 14.24 ? 142 VAL A C 1 ATOM 1132 O O . VAL A 1 153 ? -4.490 -9.403 -34.538 1.00 13.77 ? 142 VAL A O 1 ATOM 1133 C CB . VAL A 1 153 ? -5.188 -11.511 -32.559 1.00 16.02 ? 142 VAL A CB 1 ATOM 1134 C CG1 . VAL A 1 153 ? -6.706 -11.586 -32.699 1.00 15.24 ? 142 VAL A CG1 1 ATOM 1135 C CG2 . VAL A 1 153 ? -4.699 -12.551 -31.542 1.00 15.82 ? 142 VAL A CG2 1 ATOM 1136 N N . LYS A 1 154 ? -5.264 -10.821 -36.103 1.00 11.40 ? 143 LYS A N 1 ATOM 1137 C CA . LYS A 1 154 ? -5.452 -9.803 -37.125 1.00 11.38 ? 143 LYS A CA 1 ATOM 1138 C C . LYS A 1 154 ? -6.848 -9.746 -37.783 1.00 16.96 ? 143 LYS A C 1 ATOM 1139 O O . LYS A 1 154 ? -7.554 -10.745 -37.833 1.00 16.05 ? 143 LYS A O 1 ATOM 1140 C CB . LYS A 1 154 ? -4.421 -10.034 -38.259 1.00 14.27 ? 143 LYS A CB 1 ATOM 1141 C CG . LYS A 1 154 ? -3.068 -9.368 -37.996 1.00 27.07 ? 143 LYS A CG 1 ATOM 1142 C CD . LYS A 1 154 ? -2.099 -9.492 -39.200 1.00 28.13 ? 143 LYS A CD 1 ATOM 1143 C CE . LYS A 1 154 ? -2.551 -8.762 -40.450 1.00 24.28 ? 143 LYS A CE 1 ATOM 1144 N NZ . LYS A 1 154 ? -2.663 -7.288 -40.215 1.00 20.32 ? 143 LYS A NZ 1 ATOM 1145 N N . GLY A 1 155 ? -7.160 -8.584 -38.360 1.00 15.81 ? 144 GLY A N 1 ATOM 1146 C CA . GLY A 1 155 ? -8.353 -8.362 -39.176 1.00 16.97 ? 144 GLY A CA 1 ATOM 1147 C C . GLY A 1 155 ? -9.708 -8.442 -38.516 1.00 21.83 ? 144 GLY A C 1 ATOM 1148 O O . GLY A 1 155 ? -10.692 -8.759 -39.193 1.00 22.42 ? 144 GLY A O 1 ATOM 1149 N N . TYR A 1 156 ? -9.789 -8.102 -37.225 1.00 16.88 ? 145 TYR A N 1 ATOM 1150 C CA . TYR A 1 156 ? -11.055 -8.164 -36.500 1.00 15.17 ? 145 TYR A CA 1 ATOM 1151 C C . TYR A 1 156 ? -11.681 -6.803 -36.184 1.00 17.80 ? 145 TYR A C 1 ATOM 1152 O O . TYR A 1 156 ? -11.021 -5.767 -36.158 1.00 15.50 ? 145 TYR A O 1 ATOM 1153 C CB . TYR A 1 156 ? -10.932 -9.010 -35.219 1.00 14.61 ? 145 TYR A CB 1 ATOM 1154 C CG . TYR A 1 156 ? -10.143 -8.368 -34.096 1.00 14.05 ? 145 TYR A CG 1 ATOM 1155 C CD1 . TYR A 1 156 ? -8.766 -8.561 -33.984 1.00 14.65 ? 145 TYR A CD1 1 ATOM 1156 C CD2 . TYR A 1 156 ? -10.787 -7.645 -33.087 1.00 14.70 ? 145 TYR A CD2 1 ATOM 1157 C CE1 . TYR A 1 156 ? -8.036 -7.986 -32.942 1.00 14.54 ? 145 TYR A CE1 1 ATOM 1158 C CE2 . TYR A 1 156 ? -10.069 -7.055 -32.047 1.00 15.18 ? 145 TYR A CE2 1 ATOM 1159 C CZ . TYR A 1 156 ? -8.695 -7.233 -31.975 1.00 17.91 ? 145 TYR A CZ 1 ATOM 1160 O OH . TYR A 1 156 ? -8.010 -6.648 -30.946 1.00 15.87 ? 145 TYR A OH 1 ATOM 1161 N N . PHE A 1 157 ? -12.981 -6.843 -35.875 1.00 15.72 ? 146 PHE A N 1 ATOM 1162 C CA . PHE A 1 157 ? -13.740 -5.686 -35.450 1.00 14.97 ? 146 PHE A CA 1 ATOM 1163 C C . PHE A 1 157 ? -15.031 -6.169 -34.804 1.00 18.64 ? 146 PHE A C 1 ATOM 1164 O O . PHE A 1 157 ? -15.666 -7.073 -35.344 1.00 18.54 ? 146 PHE A O 1 ATOM 1165 C CB . PHE A 1 157 ? -14.042 -4.724 -36.629 1.00 15.54 ? 146 PHE A CB 1 ATOM 1166 C CG . PHE A 1 157 ? -14.614 -3.396 -36.180 1.00 16.26 ? 146 PHE A CG 1 ATOM 1167 C CD1 . PHE A 1 157 ? -13.776 -2.359 -35.771 1.00 17.58 ? 146 PHE A CD1 1 ATOM 1168 C CD2 . PHE A 1 157 ? -15.991 -3.189 -36.138 1.00 18.02 ? 146 PHE A CD2 1 ATOM 1169 C CE1 . PHE A 1 157 ? -14.306 -1.128 -35.344 1.00 18.61 ? 146 PHE A CE1 1 ATOM 1170 C CE2 . PHE A 1 157 ? -16.520 -1.958 -35.710 1.00 20.18 ? 146 PHE A CE2 1 ATOM 1171 C CZ . PHE A 1 157 ? -15.669 -0.932 -35.325 1.00 17.59 ? 146 PHE A CZ 1 ATOM 1172 N N . PRO A 1 158 ? -15.470 -5.581 -33.672 1.00 17.48 ? 147 PRO A N 1 ATOM 1173 C CA . PRO A 1 158 ? -14.821 -4.516 -32.890 1.00 17.52 ? 147 PRO A CA 1 ATOM 1174 C C . PRO A 1 158 ? -13.971 -5.093 -31.763 1.00 21.50 ? 147 PRO A C 1 ATOM 1175 O O . PRO A 1 158 ? -13.813 -6.302 -31.617 1.00 20.55 ? 147 PRO A O 1 ATOM 1176 C CB . PRO A 1 158 ? -16.037 -3.768 -32.312 1.00 19.11 ? 147 PRO A CB 1 ATOM 1177 C CG . PRO A 1 158 ? -17.037 -4.873 -32.031 1.00 22.03 ? 147 PRO A CG 1 ATOM 1178 C CD . PRO A 1 158 ? -16.767 -5.965 -33.066 1.00 17.71 ? 147 PRO A CD 1 ATOM 1179 N N . GLU A 1 159 ? -13.495 -4.211 -30.904 1.00 19.07 ? 148 GLU A N 1 ATOM 1180 C CA . GLU A 1 159 ? -12.849 -4.622 -29.677 1.00 18.53 ? 148 GLU A CA 1 ATOM 1181 C C . GLU A 1 159 ? -13.988 -5.046 -28.716 1.00 22.70 ? 148 GLU A C 1 ATOM 1182 O O . GLU A 1 159 ? -15.145 -4.611 -28.895 1.00 20.67 ? 148 GLU A O 1 ATOM 1183 C CB . GLU A 1 159 ? -12.057 -3.444 -29.107 1.00 19.65 ? 148 GLU A CB 1 ATOM 1184 C CG . GLU A 1 159 ? -10.625 -3.419 -29.602 1.00 24.21 ? 148 GLU A CG 1 ATOM 1185 C CD . GLU A 1 159 ? -9.705 -4.224 -28.720 1.00 44.36 ? 148 GLU A CD 1 ATOM 1186 O OE1 . GLU A 1 159 ? -9.549 -5.444 -28.965 1.00 30.56 ? 148 GLU A OE1 1 ATOM 1187 O OE2 . GLU A 1 159 ? -9.159 -3.634 -27.759 1.00 46.93 ? 148 GLU A OE2 1 ATOM 1188 N N . PRO A 1 160 ? -13.714 -5.923 -27.728 1.00 21.25 ? 149 PRO A N 1 ATOM 1189 C CA . PRO A 1 160 ? -12.419 -6.537 -27.407 1.00 20.46 ? 149 PRO A CA 1 ATOM 1190 C C . PRO A 1 160 ? -12.299 -8.008 -27.849 1.00 23.33 ? 149 PRO A C 1 ATOM 1191 O O . PRO A 1 160 ? -13.279 -8.673 -28.199 1.00 22.39 ? 149 PRO A O 1 ATOM 1192 C CB . PRO A 1 160 ? -12.407 -6.427 -25.877 1.00 22.52 ? 149 PRO A CB 1 ATOM 1193 C CG . PRO A 1 160 ? -13.894 -6.695 -25.490 1.00 27.30 ? 149 PRO A CG 1 ATOM 1194 C CD . PRO A 1 160 ? -14.733 -6.305 -26.719 1.00 22.82 ? 149 PRO A CD 1 ATOM 1195 N N . VAL A 1 161 ? -11.077 -8.515 -27.786 1.00 20.91 ? 150 VAL A N 1 ATOM 1196 C CA . VAL A 1 161 ? -10.716 -9.922 -27.900 1.00 20.72 ? 150 VAL A CA 1 ATOM 1197 C C . VAL A 1 161 ? -10.097 -10.239 -26.542 1.00 23.63 ? 150 VAL A C 1 ATOM 1198 O O . VAL A 1 161 ? -9.470 -9.359 -25.941 1.00 23.91 ? 150 VAL A O 1 ATOM 1199 C CB . VAL A 1 161 ? -9.722 -10.297 -29.038 1.00 25.06 ? 150 VAL A CB 1 ATOM 1200 C CG1 . VAL A 1 161 ? -10.396 -10.347 -30.404 1.00 24.00 ? 150 VAL A CG1 1 ATOM 1201 C CG2 . VAL A 1 161 ? -8.510 -9.381 -29.051 1.00 25.72 ? 150 VAL A CG2 1 ATOM 1202 N N . THR A 1 162 ? -10.243 -11.484 -26.073 1.00 17.92 ? 151 THR A N 1 ATOM 1203 C CA . THR A 1 162 ? -9.620 -11.968 -24.843 1.00 16.85 ? 151 THR A CA 1 ATOM 1204 C C . THR A 1 162 ? -8.578 -12.978 -25.292 1.00 20.41 ? 151 THR A C 1 ATOM 1205 O O . THR A 1 162 ? -8.929 -14.036 -25.815 1.00 21.23 ? 151 THR A O 1 ATOM 1206 C CB . THR A 1 162 ? -10.631 -12.636 -23.885 1.00 26.34 ? 151 THR A CB 1 ATOM 1207 O OG1 . THR A 1 162 ? -11.647 -11.711 -23.550 1.00 30.93 ? 151 THR A OG1 1 ATOM 1208 C CG2 . THR A 1 162 ? -9.974 -13.098 -22.566 1.00 26.56 ? 151 THR A CG2 1 ATOM 1209 N N . LEU A 1 163 ? -7.298 -12.677 -25.059 1.00 15.08 ? 152 LEU A N 1 ATOM 1210 C CA . LEU A 1 163 ? -6.226 -13.591 -25.444 1.00 13.67 ? 152 LEU A CA 1 ATOM 1211 C C . LEU A 1 163 ? -5.598 -14.128 -24.172 1.00 16.43 ? 152 LEU A C 1 ATOM 1212 O O . LEU A 1 163 ? -5.221 -13.351 -23.284 1.00 14.07 ? 152 LEU A O 1 ATOM 1213 C CB . LEU A 1 163 ? -5.154 -12.863 -26.300 1.00 13.77 ? 152 LEU A CB 1 ATOM 1214 C CG . LEU A 1 163 ? -4.032 -13.730 -26.938 1.00 18.27 ? 152 LEU A CG 1 ATOM 1215 C CD1 . LEU A 1 163 ? -3.429 -13.035 -28.150 1.00 17.45 ? 152 LEU A CD1 1 ATOM 1216 C CD2 . LEU A 1 163 ? -2.877 -14.021 -25.951 1.00 21.57 ? 152 LEU A CD2 1 ATOM 1217 N N . THR A 1 164 ? -5.428 -15.462 -24.106 1.00 13.57 ? 153 THR A N 1 ATOM 1218 C CA . THR A 1 164 ? -4.771 -16.105 -22.962 1.00 12.57 ? 153 THR A CA 1 ATOM 1219 C C . THR A 1 164 ? -3.856 -17.181 -23.500 1.00 15.07 ? 153 THR A C 1 ATOM 1220 O O . THR A 1 164 ? -3.974 -17.568 -24.656 1.00 15.66 ? 153 THR A O 1 ATOM 1221 C CB . THR A 1 164 ? -5.792 -16.725 -21.976 1.00 21.37 ? 153 THR A CB 1 ATOM 1222 O OG1 . THR A 1 164 ? -6.623 -17.647 -22.679 1.00 22.17 ? 153 THR A OG1 1 ATOM 1223 C CG2 . THR A 1 164 ? -6.662 -15.681 -21.265 1.00 24.50 ? 153 THR A CG2 1 ATOM 1224 N N . TRP A 1 165 ? -2.949 -17.664 -22.657 1.00 13.65 ? 154 TRP A N 1 ATOM 1225 C CA . TRP A 1 165 ? -2.028 -18.736 -23.014 1.00 14.03 ? 154 TRP A CA 1 ATOM 1226 C C . TRP A 1 165 ? -2.353 -19.919 -22.131 1.00 16.74 ? 154 TRP A C 1 ATOM 1227 O O . TRP A 1 165 ? -2.432 -19.760 -20.919 1.00 15.03 ? 154 TRP A O 1 ATOM 1228 C CB . TRP A 1 165 ? -0.586 -18.309 -22.797 1.00 13.07 ? 154 TRP A CB 1 ATOM 1229 C CG . TRP A 1 165 ? -0.129 -17.294 -23.790 1.00 13.45 ? 154 TRP A CG 1 ATOM 1230 C CD1 . TRP A 1 165 ? -0.117 -15.937 -23.630 1.00 16.00 ? 154 TRP A CD1 1 ATOM 1231 C CD2 . TRP A 1 165 ? 0.373 -17.554 -25.109 1.00 13.55 ? 154 TRP A CD2 1 ATOM 1232 N NE1 . TRP A 1 165 ? 0.385 -15.334 -24.765 1.00 15.06 ? 154 TRP A NE1 1 ATOM 1233 C CE2 . TRP A 1 165 ? 0.691 -16.307 -25.691 1.00 16.84 ? 154 TRP A CE2 1 ATOM 1234 C CE3 . TRP A 1 165 ? 0.607 -18.732 -25.855 1.00 15.03 ? 154 TRP A CE3 1 ATOM 1235 C CZ2 . TRP A 1 165 ? 1.319 -16.205 -26.941 1.00 17.35 ? 154 TRP A CZ2 1 ATOM 1236 C CZ3 . TRP A 1 165 ? 1.226 -18.631 -27.091 1.00 16.74 ? 154 TRP A CZ3 1 ATOM 1237 C CH2 . TRP A 1 165 ? 1.546 -17.376 -27.641 1.00 17.69 ? 154 TRP A CH2 1 ATOM 1238 N N . ASN A 1 166 ? -2.560 -21.095 -22.742 1.00 18.62 ? 155 ASN A N 1 ATOM 1239 C CA . ASN A 1 166 ? -2.936 -22.316 -21.997 1.00 19.19 ? 155 ASN A CA 1 ATOM 1240 C C . ASN A 1 166 ? -4.132 -22.092 -21.074 1.00 20.85 ? 155 ASN A C 1 ATOM 1241 O O . ASN A 1 166 ? -4.087 -22.454 -19.899 1.00 19.61 ? 155 ASN A O 1 ATOM 1242 C CB . ASN A 1 166 ? -1.730 -22.861 -21.211 1.00 19.04 ? 155 ASN A CB 1 ATOM 1243 C CG . ASN A 1 166 ? -0.779 -23.609 -22.077 1.00 25.51 ? 155 ASN A CG 1 ATOM 1244 O OD1 . ASN A 1 166 ? -1.024 -23.797 -23.261 1.00 17.89 ? 155 ASN A OD1 1 ATOM 1245 N ND2 . ASN A 1 166 ? 0.324 -24.063 -21.495 1.00 25.09 ? 155 ASN A ND2 1 ATOM 1246 N N . SER A 1 167 ? -5.169 -21.425 -21.596 1.00 16.91 ? 156 SER A N 1 ATOM 1247 C CA . SER A 1 167 ? -6.406 -21.089 -20.873 1.00 16.59 ? 156 SER A CA 1 ATOM 1248 C C . SER A 1 167 ? -6.165 -20.223 -19.626 1.00 19.88 ? 156 SER A C 1 ATOM 1249 O O . SER A 1 167 ? -6.927 -20.283 -18.659 1.00 20.39 ? 156 SER A O 1 ATOM 1250 C CB . SER A 1 167 ? -7.196 -22.351 -20.548 1.00 15.72 ? 156 SER A CB 1 ATOM 1251 O OG . SER A 1 167 ? -7.430 -23.076 -21.747 1.00 21.31 ? 156 SER A OG 1 ATOM 1252 N N . GLY A 1 168 ? -5.095 -19.430 -19.671 1.00 15.28 ? 157 GLY A N 1 ATOM 1253 C CA . GLY A 1 168 ? -4.711 -18.537 -18.583 1.00 14.35 ? 157 GLY A CA 1 ATOM 1254 C C . GLY A 1 168 ? -3.825 -19.164 -17.529 1.00 18.85 ? 157 GLY A C 1 ATOM 1255 O O . GLY A 1 168 ? -3.497 -18.496 -16.543 1.00 19.94 ? 157 GLY A O 1 ATOM 1256 N N . SER A 1 169 ? -3.449 -20.445 -17.704 1.00 14.07 ? 158 SER A N 1 ATOM 1257 C CA . SER A 1 169 ? -2.563 -21.154 -16.758 1.00 14.98 ? 158 SER A CA 1 ATOM 1258 C C . SER A 1 169 ? -1.086 -20.735 -16.918 1.00 20.55 ? 158 SER A C 1 ATOM 1259 O O . SER A 1 169 ? -0.279 -20.917 -15.997 1.00 19.72 ? 158 SER A O 1 ATOM 1260 C CB . SER A 1 169 ? -2.734 -22.666 -16.865 1.00 16.75 ? 158 SER A CB 1 ATOM 1261 O OG . SER A 1 169 ? -4.077 -23.008 -16.542 1.00 22.24 ? 158 SER A OG 1 ATOM 1262 N N . LEU A 1 170 ? -0.746 -20.170 -18.078 1.00 18.31 ? 159 LEU A N 1 ATOM 1263 C CA . LEU A 1 170 ? 0.582 -19.640 -18.389 1.00 18.43 ? 159 LEU A CA 1 ATOM 1264 C C . LEU A 1 170 ? 0.385 -18.102 -18.369 1.00 22.71 ? 159 LEU A C 1 ATOM 1265 O O . LEU A 1 170 ? -0.154 -17.519 -19.317 1.00 21.15 ? 159 LEU A O 1 ATOM 1266 C CB . LEU A 1 170 ? 1.059 -20.169 -19.747 1.00 18.80 ? 159 LEU A CB 1 ATOM 1267 C CG . LEU A 1 170 ? 2.491 -19.824 -20.214 1.00 23.62 ? 159 LEU A CG 1 ATOM 1268 C CD1 . LEU A 1 170 ? 3.541 -20.337 -19.237 1.00 24.80 ? 159 LEU A CD1 1 ATOM 1269 C CD2 . LEU A 1 170 ? 2.768 -20.460 -21.542 1.00 24.64 ? 159 LEU A CD2 1 ATOM 1270 N N . SER A 1 171 ? 0.674 -17.490 -17.214 1.00 20.46 ? 160 SER A N 1 ATOM 1271 C CA . SER A 1 171 ? 0.436 -16.062 -17.005 1.00 21.27 ? 160 SER A CA 1 ATOM 1272 C C . SER A 1 171 ? 1.705 -15.254 -16.825 1.00 25.82 ? 160 SER A C 1 ATOM 1273 O O . SER A 1 171 ? 1.714 -14.074 -17.161 1.00 26.08 ? 160 SER A O 1 ATOM 1274 C CB . SER A 1 171 ? -0.532 -15.832 -15.851 1.00 25.05 ? 160 SER A CB 1 ATOM 1275 O OG . SER A 1 171 ? -0.105 -16.538 -14.701 1.00 35.14 ? 160 SER A OG 1 ATOM 1276 N N . SER A 1 172 ? 2.766 -15.870 -16.283 1.00 22.41 ? 161 SER A N 1 ATOM 1277 C CA . SER A 1 172 ? 4.058 -15.208 -16.101 1.00 22.59 ? 161 SER A CA 1 ATOM 1278 C C . SER A 1 172 ? 4.802 -15.176 -17.432 1.00 25.46 ? 161 SER A C 1 ATOM 1279 O O . SER A 1 172 ? 4.624 -16.075 -18.267 1.00 24.86 ? 161 SER A O 1 ATOM 1280 C CB . SER A 1 172 ? 4.884 -15.925 -15.042 1.00 28.08 ? 161 SER A CB 1 ATOM 1281 O OG . SER A 1 172 ? 4.214 -15.773 -13.803 1.00 42.95 ? 161 SER A OG 1 ATOM 1282 N N . GLY A 1 173 ? 5.586 -14.119 -17.625 1.00 19.45 ? 162 GLY A N 1 ATOM 1283 C CA . GLY A 1 173 ? 6.374 -13.900 -18.829 1.00 17.66 ? 162 GLY A CA 1 ATOM 1284 C C . GLY A 1 173 ? 5.559 -13.597 -20.067 1.00 18.56 ? 162 GLY A C 1 ATOM 1285 O O . GLY A 1 173 ? 6.045 -13.798 -21.186 1.00 16.81 ? 162 GLY A O 1 ATOM 1286 N N . VAL A 1 174 ? 4.313 -13.130 -19.876 1.00 15.35 ? 163 VAL A N 1 ATOM 1287 C CA . VAL A 1 174 ? 3.402 -12.809 -20.988 1.00 15.68 ? 163 VAL A CA 1 ATOM 1288 C C . VAL A 1 174 ? 3.314 -11.294 -21.205 1.00 16.98 ? 163 VAL A C 1 ATOM 1289 O O . VAL A 1 174 ? 3.165 -10.531 -20.232 1.00 14.64 ? 163 VAL A O 1 ATOM 1290 C CB . VAL A 1 174 ? 1.971 -13.426 -20.780 1.00 19.26 ? 163 VAL A CB 1 ATOM 1291 C CG1 . VAL A 1 174 ? 0.959 -12.883 -21.811 1.00 19.16 ? 163 VAL A CG1 1 ATOM 1292 C CG2 . VAL A 1 174 ? 2.006 -14.944 -20.819 1.00 18.34 ? 163 VAL A CG2 1 ATOM 1293 N N . HIS A 1 175 ? 3.365 -10.869 -22.477 1.00 13.31 ? 164 HIS A N 1 ATOM 1294 C CA . HIS A 1 175 ? 3.103 -9.485 -22.848 1.00 13.08 ? 164 HIS A CA 1 ATOM 1295 C C . HIS A 1 175 ? 2.009 -9.463 -23.909 1.00 14.19 ? 164 HIS A C 1 ATOM 1296 O O . HIS A 1 175 ? 2.254 -9.833 -25.046 1.00 14.06 ? 164 HIS A O 1 ATOM 1297 C CB . HIS A 1 175 ? 4.363 -8.733 -23.353 1.00 13.68 ? 164 HIS A CB 1 ATOM 1298 C CG . HIS A 1 175 ? 5.414 -8.575 -22.301 1.00 16.96 ? 164 HIS A CG 1 ATOM 1299 N ND1 . HIS A 1 175 ? 5.220 -7.749 -21.209 1.00 18.44 ? 164 HIS A ND1 1 ATOM 1300 C CD2 . HIS A 1 175 ? 6.623 -9.166 -22.189 1.00 18.67 ? 164 HIS A CD2 1 ATOM 1301 C CE1 . HIS A 1 175 ? 6.333 -7.827 -20.498 1.00 17.67 ? 164 HIS A CE1 1 ATOM 1302 N NE2 . HIS A 1 175 ? 7.193 -8.684 -21.032 1.00 18.21 ? 164 HIS A NE2 1 ATOM 1303 N N . THR A 1 176 ? 0.823 -8.984 -23.543 1.00 10.76 ? 165 THR A N 1 ATOM 1304 C CA . THR A 1 176 ? -0.291 -8.835 -24.457 1.00 10.76 ? 165 THR A CA 1 ATOM 1305 C C . THR A 1 176 ? -0.375 -7.349 -24.767 1.00 15.83 ? 165 THR A C 1 ATOM 1306 O O . THR A 1 176 ? -0.618 -6.519 -23.879 1.00 16.29 ? 165 THR A O 1 ATOM 1307 C CB . THR A 1 176 ? -1.586 -9.449 -23.895 1.00 15.49 ? 165 THR A CB 1 ATOM 1308 O OG1 . THR A 1 176 ? -1.353 -10.858 -23.734 1.00 14.49 ? 165 THR A OG1 1 ATOM 1309 C CG2 . THR A 1 176 ? -2.775 -9.227 -24.842 1.00 12.66 ? 165 THR A CG2 1 ATOM 1310 N N . PHE A 1 177 ? -0.171 -7.017 -26.016 1.00 10.89 ? 166 PHE A N 1 ATOM 1311 C CA . PHE A 1 177 ? -0.107 -5.612 -26.413 1.00 10.45 ? 166 PHE A CA 1 ATOM 1312 C C . PHE A 1 177 ? -1.494 -5.021 -26.684 1.00 16.01 ? 166 PHE A C 1 ATOM 1313 O O . PHE A 1 177 ? -2.376 -5.748 -27.156 1.00 13.39 ? 166 PHE A O 1 ATOM 1314 C CB . PHE A 1 177 ? 0.865 -5.431 -27.594 1.00 10.60 ? 166 PHE A CB 1 ATOM 1315 C CG . PHE A 1 177 ? 2.253 -5.878 -27.239 1.00 11.38 ? 166 PHE A CG 1 ATOM 1316 C CD1 . PHE A 1 177 ? 2.618 -7.224 -27.337 1.00 11.61 ? 166 PHE A CD1 1 ATOM 1317 C CD2 . PHE A 1 177 ? 3.192 -4.970 -26.759 1.00 11.72 ? 166 PHE A CD2 1 ATOM 1318 C CE1 . PHE A 1 177 ? 3.905 -7.649 -26.943 1.00 11.72 ? 166 PHE A CE1 1 ATOM 1319 C CE2 . PHE A 1 177 ? 4.457 -5.398 -26.351 1.00 12.11 ? 166 PHE A CE2 1 ATOM 1320 C CZ . PHE A 1 177 ? 4.817 -6.725 -26.467 1.00 10.47 ? 166 PHE A CZ 1 ATOM 1321 N N . PRO A 1 178 ? -1.693 -3.718 -26.380 1.00 15.09 ? 167 PRO A N 1 ATOM 1322 C CA . PRO A 1 178 ? -2.996 -3.077 -26.666 1.00 15.17 ? 167 PRO A CA 1 ATOM 1323 C C . PRO A 1 178 ? -3.341 -3.198 -28.154 1.00 18.34 ? 167 PRO A C 1 ATOM 1324 O O . PRO A 1 178 ? -2.453 -3.091 -29.010 1.00 17.19 ? 167 PRO A O 1 ATOM 1325 C CB . PRO A 1 178 ? -2.740 -1.597 -26.317 1.00 17.20 ? 167 PRO A CB 1 ATOM 1326 C CG . PRO A 1 178 ? -1.613 -1.623 -25.355 1.00 22.04 ? 167 PRO A CG 1 ATOM 1327 C CD . PRO A 1 178 ? -0.733 -2.741 -25.816 1.00 16.45 ? 167 PRO A CD 1 ATOM 1328 N N . ALA A 1 179 ? -4.621 -3.445 -28.471 1.00 16.86 ? 168 ALA A N 1 ATOM 1329 C CA . ALA A 1 179 ? -5.029 -3.572 -29.884 1.00 16.18 ? 168 ALA A CA 1 ATOM 1330 C C . ALA A 1 179 ? -4.898 -2.247 -30.579 1.00 18.33 ? 168 ALA A C 1 ATOM 1331 O O . ALA A 1 179 ? -5.065 -1.209 -29.945 1.00 17.78 ? 168 ALA A O 1 ATOM 1332 C CB . ALA A 1 179 ? -6.466 -4.063 -29.979 1.00 17.45 ? 168 ALA A CB 1 ATOM 1333 N N . VAL A 1 180 ? -4.535 -2.272 -31.861 1.00 14.95 ? 169 VAL A N 1 ATOM 1334 C CA . VAL A 1 180 ? -4.374 -1.058 -32.667 1.00 14.62 ? 169 VAL A CA 1 ATOM 1335 C C . VAL A 1 180 ? -5.300 -1.128 -33.902 1.00 17.72 ? 169 VAL A C 1 ATOM 1336 O O . VAL A 1 180 ? -5.318 -2.135 -34.615 1.00 15.05 ? 169 VAL A O 1 ATOM 1337 C CB . VAL A 1 180 ? -2.887 -0.814 -33.028 1.00 17.50 ? 169 VAL A CB 1 ATOM 1338 C CG1 . VAL A 1 180 ? -2.719 0.327 -34.024 1.00 17.17 ? 169 VAL A CG1 1 ATOM 1339 C CG2 . VAL A 1 180 ? -2.059 -0.546 -31.769 1.00 17.05 ? 169 VAL A CG2 1 ATOM 1340 N N . LEU A 1 181 ? -6.070 -0.053 -34.142 1.00 16.13 ? 170 LEU A N 1 ATOM 1341 C CA . LEU A 1 181 ? -6.976 0.032 -35.292 1.00 16.30 ? 170 LEU A CA 1 ATOM 1342 C C . LEU A 1 181 ? -6.210 0.614 -36.465 1.00 21.23 ? 170 LEU A C 1 ATOM 1343 O O . LEU A 1 181 ? -5.611 1.681 -36.347 1.00 19.57 ? 170 LEU A O 1 ATOM 1344 C CB . LEU A 1 181 ? -8.227 0.903 -34.960 1.00 16.65 ? 170 LEU A CB 1 ATOM 1345 C CG . LEU A 1 181 ? -9.338 0.929 -36.038 1.00 21.64 ? 170 LEU A CG 1 ATOM 1346 C CD1 . LEU A 1 181 ? -10.059 -0.416 -36.129 1.00 21.93 ? 170 LEU A CD1 1 ATOM 1347 C CD2 . LEU A 1 181 ? -10.355 2.041 -35.753 1.00 22.70 ? 170 LEU A CD2 1 ATOM 1348 N N . GLN A 1 182 ? -6.197 -0.107 -37.585 1.00 20.69 ? 171 GLN A N 1 ATOM 1349 C CA . GLN A 1 182 ? -5.517 0.322 -38.801 1.00 21.42 ? 171 GLN A CA 1 ATOM 1350 C C . GLN A 1 182 ? -6.344 -0.146 -39.987 1.00 25.43 ? 171 GLN A C 1 ATOM 1351 O O . GLN A 1 182 ? -6.804 -1.291 -40.009 1.00 24.31 ? 171 GLN A O 1 ATOM 1352 C CB . GLN A 1 182 ? -4.088 -0.229 -38.868 1.00 22.88 ? 171 GLN A CB 1 ATOM 1353 C CG . GLN A 1 182 ? -3.143 0.684 -39.646 1.00 41.48 ? 171 GLN A CG 1 ATOM 1354 C CD . GLN A 1 182 ? -1.691 0.389 -39.346 1.00 70.97 ? 171 GLN A CD 1 ATOM 1355 O OE1 . GLN A 1 182 ? -1.082 -0.512 -39.933 1.00 70.18 ? 171 GLN A OE1 1 ATOM 1356 N NE2 . GLN A 1 182 ? -1.099 1.145 -38.424 1.00 63.70 ? 171 GLN A NE2 1 ATOM 1357 N N . SER A 1 183 ? -6.621 0.772 -40.928 1.00 23.77 ? 172 SER A N 1 ATOM 1358 C CA . SER A 1 183 ? -7.431 0.474 -42.115 1.00 23.09 ? 172 SER A CA 1 ATOM 1359 C C . SER A 1 183 ? -8.728 -0.265 -41.748 1.00 24.05 ? 172 SER A C 1 ATOM 1360 O O . SER A 1 183 ? -9.034 -1.315 -42.315 1.00 23.03 ? 172 SER A O 1 ATOM 1361 C CB . SER A 1 183 ? -6.614 -0.295 -43.157 1.00 26.70 ? 172 SER A CB 1 ATOM 1362 O OG . SER A 1 183 ? -5.400 0.374 -43.443 1.00 41.65 ? 172 SER A OG 1 ATOM 1363 N N . ASP A 1 184 ? -9.439 0.266 -40.721 1.00 19.24 ? 173 ASP A N 1 ATOM 1364 C CA . ASP A 1 184 ? -10.746 -0.156 -40.212 1.00 18.81 ? 173 ASP A CA 1 ATOM 1365 C C . ASP A 1 184 ? -10.776 -1.453 -39.393 1.00 21.80 ? 173 ASP A C 1 ATOM 1366 O O . ASP A 1 184 ? -11.824 -1.776 -38.841 1.00 22.22 ? 173 ASP A O 1 ATOM 1367 C CB . ASP A 1 184 ? -11.773 -0.233 -41.364 1.00 20.93 ? 173 ASP A CB 1 ATOM 1368 C CG . ASP A 1 184 ? -11.842 1.078 -42.147 1.00 36.11 ? 173 ASP A CG 1 ATOM 1369 O OD1 . ASP A 1 184 ? -12.386 2.074 -41.600 1.00 33.75 ? 173 ASP A OD1 1 ATOM 1370 O OD2 . ASP A 1 184 ? -11.269 1.135 -43.258 1.00 47.32 ? 173 ASP A OD2 1 ATOM 1371 N N . LEU A 1 185 ? -9.641 -2.154 -39.242 1.00 18.04 ? 174 LEU A N 1 ATOM 1372 C CA . LEU A 1 185 ? -9.586 -3.419 -38.531 1.00 16.97 ? 174 LEU A CA 1 ATOM 1373 C C . LEU A 1 185 ? -8.513 -3.398 -37.455 1.00 20.14 ? 174 LEU A C 1 ATOM 1374 O O . LEU A 1 185 ? -7.591 -2.583 -37.501 1.00 19.34 ? 174 LEU A O 1 ATOM 1375 C CB . LEU A 1 185 ? -9.348 -4.597 -39.513 1.00 17.55 ? 174 LEU A CB 1 ATOM 1376 C CG . LEU A 1 185 ? -10.398 -4.842 -40.622 1.00 21.75 ? 174 LEU A CG 1 ATOM 1377 C CD1 . LEU A 1 185 ? -9.897 -5.893 -41.616 1.00 21.78 ? 174 LEU A CD1 1 ATOM 1378 C CD2 . LEU A 1 185 ? -11.742 -5.280 -40.027 1.00 23.37 ? 174 LEU A CD2 1 ATOM 1379 N N . TYR A 1 186 ? -8.673 -4.256 -36.458 1.00 16.51 ? 175 TYR A N 1 ATOM 1380 C CA . TYR A 1 186 ? -7.732 -4.338 -35.360 1.00 15.74 ? 175 TYR A CA 1 ATOM 1381 C C . TYR A 1 186 ? -6.702 -5.419 -35.537 1.00 17.30 ? 175 TYR A C 1 ATOM 1382 O O . TYR A 1 186 ? -6.977 -6.507 -36.067 1.00 16.31 ? 175 TYR A O 1 ATOM 1383 C CB . TYR A 1 186 ? -8.454 -4.609 -34.026 1.00 17.15 ? 175 TYR A CB 1 ATOM 1384 C CG . TYR A 1 186 ? -9.193 -3.433 -33.444 1.00 18.20 ? 175 TYR A CG 1 ATOM 1385 C CD1 . TYR A 1 186 ? -8.527 -2.473 -32.680 1.00 19.80 ? 175 TYR A CD1 1 ATOM 1386 C CD2 . TYR A 1 186 ? -10.569 -3.300 -33.608 1.00 18.35 ? 175 TYR A CD2 1 ATOM 1387 C CE1 . TYR A 1 186 ? -9.199 -1.364 -32.165 1.00 19.79 ? 175 TYR A CE1 1 ATOM 1388 C CE2 . TYR A 1 186 ? -11.258 -2.211 -33.073 1.00 18.74 ? 175 TYR A CE2 1 ATOM 1389 C CZ . TYR A 1 186 ? -10.570 -1.251 -32.342 1.00 25.52 ? 175 TYR A CZ 1 ATOM 1390 O OH . TYR A 1 186 ? -11.245 -0.190 -31.793 1.00 21.58 ? 175 TYR A OH 1 ATOM 1391 N N . THR A 1 187 ? -5.532 -5.144 -34.967 1.00 14.04 ? 176 THR A N 1 ATOM 1392 C CA . THR A 1 187 ? -4.435 -6.094 -34.817 1.00 14.39 ? 176 THR A CA 1 ATOM 1393 C C . THR A 1 187 ? -4.075 -6.091 -33.344 1.00 17.64 ? 176 THR A C 1 ATOM 1394 O O . THR A 1 187 ? -4.028 -5.025 -32.715 1.00 16.80 ? 176 THR A O 1 ATOM 1395 C CB . THR A 1 187 ? -3.228 -5.710 -35.673 1.00 22.78 ? 176 THR A CB 1 ATOM 1396 O OG1 . THR A 1 187 ? -3.609 -5.831 -37.023 1.00 19.54 ? 176 THR A OG1 1 ATOM 1397 C CG2 . THR A 1 187 ? -2.015 -6.622 -35.425 1.00 24.03 ? 176 THR A CG2 1 ATOM 1398 N N . LEU A 1 188 ? -3.791 -7.280 -32.810 1.00 14.30 ? 177 LEU A N 1 ATOM 1399 C CA . LEU A 1 188 ? -3.364 -7.463 -31.434 1.00 14.41 ? 177 LEU A CA 1 ATOM 1400 C C . LEU A 1 188 ? -2.270 -8.550 -31.472 1.00 16.30 ? 177 LEU A C 1 ATOM 1401 O O . LEU A 1 188 ? -2.298 -9.436 -32.322 1.00 14.88 ? 177 LEU A O 1 ATOM 1402 C CB . LEU A 1 188 ? -4.587 -7.893 -30.589 1.00 15.02 ? 177 LEU A CB 1 ATOM 1403 C CG . LEU A 1 188 ? -4.338 -8.081 -29.106 1.00 22.62 ? 177 LEU A CG 1 ATOM 1404 C CD1 . LEU A 1 188 ? -5.485 -7.552 -28.281 1.00 23.70 ? 177 LEU A CD1 1 ATOM 1405 C CD2 . LEU A 1 188 ? -4.011 -9.528 -28.782 1.00 24.39 ? 177 LEU A CD2 1 ATOM 1406 N N . SER A 1 189 ? -1.300 -8.470 -30.581 1.00 11.01 ? 178 SER A N 1 ATOM 1407 C CA . SER A 1 189 ? -0.250 -9.487 -30.546 1.00 9.60 ? 178 SER A CA 1 ATOM 1408 C C . SER A 1 189 ? 0.090 -9.764 -29.103 1.00 10.75 ? 178 SER A C 1 ATOM 1409 O O . SER A 1 189 ? -0.213 -8.949 -28.246 1.00 10.59 ? 178 SER A O 1 ATOM 1410 C CB . SER A 1 189 ? 0.989 -9.032 -31.325 1.00 13.02 ? 178 SER A CB 1 ATOM 1411 O OG . SER A 1 189 ? 1.603 -7.896 -30.734 1.00 13.87 ? 178 SER A OG 1 ATOM 1412 N N . SER A 1 190 ? 0.640 -10.953 -28.829 1.00 8.36 ? 179 SER A N 1 ATOM 1413 C CA . SER A 1 190 ? 1.062 -11.353 -27.504 1.00 7.85 ? 179 SER A CA 1 ATOM 1414 C C . SER A 1 190 ? 2.288 -12.225 -27.625 1.00 11.37 ? 179 SER A C 1 ATOM 1415 O O . SER A 1 190 ? 2.409 -12.994 -28.585 1.00 9.62 ? 179 SER A O 1 ATOM 1416 C CB . SER A 1 190 ? -0.049 -12.135 -26.793 1.00 9.73 ? 179 SER A CB 1 ATOM 1417 O OG . SER A 1 190 ? 0.317 -12.459 -25.460 1.00 12.46 ? 179 SER A OG 1 ATOM 1418 N N . SER A 1 191 ? 3.216 -12.078 -26.655 1.00 10.91 ? 180 SER A N 1 ATOM 1419 C CA . SER A 1 191 ? 4.411 -12.906 -26.603 1.00 10.78 ? 180 SER A CA 1 ATOM 1420 C C . SER A 1 191 ? 4.400 -13.605 -25.263 1.00 14.67 ? 180 SER A C 1 ATOM 1421 O O . SER A 1 191 ? 3.888 -13.059 -24.287 1.00 12.34 ? 180 SER A O 1 ATOM 1422 C CB . SER A 1 191 ? 5.677 -12.062 -26.712 1.00 13.06 ? 180 SER A CB 1 ATOM 1423 O OG . SER A 1 191 ? 5.809 -11.216 -25.581 1.00 16.18 ? 180 SER A OG 1 ATOM 1424 N N . VAL A 1 192 ? 5.008 -14.783 -25.213 1.00 12.56 ? 181 VAL A N 1 ATOM 1425 C CA . VAL A 1 192 ? 5.204 -15.535 -23.978 1.00 12.84 ? 181 VAL A CA 1 ATOM 1426 C C . VAL A 1 192 ? 6.627 -16.037 -23.979 1.00 14.04 ? 181 VAL A C 1 ATOM 1427 O O . VAL A 1 192 ? 7.077 -16.558 -24.983 1.00 12.19 ? 181 VAL A O 1 ATOM 1428 C CB . VAL A 1 192 ? 4.143 -16.640 -23.689 1.00 15.54 ? 181 VAL A CB 1 ATOM 1429 C CG1 . VAL A 1 192 ? 4.085 -17.714 -24.788 1.00 14.50 ? 181 VAL A CG1 1 ATOM 1430 C CG2 . VAL A 1 192 ? 4.338 -17.246 -22.292 1.00 15.09 ? 181 VAL A CG2 1 ATOM 1431 N N . THR A 1 193 ? 7.332 -15.820 -22.880 1.00 14.88 ? 182 THR A N 1 ATOM 1432 C CA . THR A 1 193 ? 8.725 -16.246 -22.703 1.00 15.19 ? 182 THR A CA 1 ATOM 1433 C C . THR A 1 193 ? 8.792 -17.319 -21.619 1.00 19.62 ? 182 THR A C 1 ATOM 1434 O O . THR A 1 193 ? 8.305 -17.126 -20.501 1.00 18.80 ? 182 THR A O 1 ATOM 1435 C CB . THR A 1 193 ? 9.630 -15.050 -22.427 1.00 19.52 ? 182 THR A CB 1 ATOM 1436 O OG1 . THR A 1 193 ? 9.438 -14.102 -23.494 1.00 22.60 ? 182 THR A OG1 1 ATOM 1437 C CG2 . THR A 1 193 ? 11.124 -15.443 -22.316 1.00 13.36 ? 182 THR A CG2 1 ATOM 1438 N N . VAL A 1 194 ? 9.364 -18.470 -21.978 1.00 18.15 ? 183 VAL A N 1 ATOM 1439 C CA . VAL A 1 194 ? 9.481 -19.589 -21.045 1.00 18.28 ? 183 VAL A CA 1 ATOM 1440 C C . VAL A 1 194 ? 10.929 -20.124 -21.075 1.00 22.49 ? 183 VAL A C 1 ATOM 1441 O O . VAL A 1 194 ? 11.662 -19.818 -22.010 1.00 20.26 ? 183 VAL A O 1 ATOM 1442 C CB . VAL A 1 194 ? 8.425 -20.708 -21.337 1.00 20.94 ? 183 VAL A CB 1 ATOM 1443 C CG1 . VAL A 1 194 ? 6.988 -20.207 -21.160 1.00 21.40 ? 183 VAL A CG1 1 ATOM 1444 C CG2 . VAL A 1 194 ? 8.624 -21.332 -22.709 1.00 20.38 ? 183 VAL A CG2 1 ATOM 1445 N N . THR A 1 195 ? 11.324 -20.960 -20.087 1.00 21.83 ? 184 THR A N 1 ATOM 1446 C CA . THR A 1 195 ? 12.684 -21.546 -20.099 1.00 21.90 ? 184 THR A CA 1 ATOM 1447 C C . THR A 1 195 ? 12.788 -22.514 -21.281 1.00 26.64 ? 184 THR A C 1 ATOM 1448 O O . THR A 1 195 ? 11.766 -23.002 -21.769 1.00 25.60 ? 184 THR A O 1 ATOM 1449 C CB . THR A 1 195 ? 13.019 -22.250 -18.767 1.00 25.93 ? 184 THR A CB 1 ATOM 1450 O OG1 . THR A 1 195 ? 12.053 -23.274 -18.511 1.00 26.67 ? 184 THR A OG1 1 ATOM 1451 C CG2 . THR A 1 195 ? 13.091 -21.287 -17.591 1.00 24.31 ? 184 THR A CG2 1 ATOM 1452 N N . SER A 1 196 ? 14.013 -22.771 -21.753 1.00 26.05 ? 185 SER A N 1 ATOM 1453 C CA . SER A 1 196 ? 14.280 -23.732 -22.826 1.00 27.65 ? 185 SER A CA 1 ATOM 1454 C C . SER A 1 196 ? 13.783 -25.153 -22.418 1.00 32.88 ? 185 SER A C 1 ATOM 1455 O O . SER A 1 196 ? 13.415 -25.941 -23.293 1.00 33.32 ? 185 SER A O 1 ATOM 1456 C CB . SER A 1 196 ? 15.775 -23.759 -23.128 1.00 34.00 ? 185 SER A CB 1 ATOM 1457 O OG . SER A 1 196 ? 16.060 -24.576 -24.252 1.00 51.72 ? 185 SER A OG 1 ATOM 1458 N N . SER A 1 197 ? 13.729 -25.451 -21.092 1.00 29.88 ? 186 SER A N 1 ATOM 1459 C CA . SER A 1 197 ? 13.244 -26.744 -20.551 1.00 30.97 ? 186 SER A CA 1 ATOM 1460 C C . SER A 1 197 ? 11.712 -26.873 -20.623 1.00 33.58 ? 186 SER A C 1 ATOM 1461 O O . SER A 1 197 ? 11.205 -27.994 -20.607 1.00 32.83 ? 186 SER A O 1 ATOM 1462 C CB . SER A 1 197 ? 13.677 -26.931 -19.094 1.00 34.87 ? 186 SER A CB 1 ATOM 1463 O OG . SER A 1 197 ? 15.064 -26.705 -18.909 1.00 45.10 ? 186 SER A OG 1 ATOM 1464 N N . THR A 1 198 ? 10.984 -25.727 -20.675 1.00 28.30 ? 187 THR A N 1 ATOM 1465 C CA . THR A 1 198 ? 9.519 -25.663 -20.717 1.00 26.92 ? 187 THR A CA 1 ATOM 1466 C C . THR A 1 198 ? 8.934 -26.002 -22.099 1.00 29.30 ? 187 THR A C 1 ATOM 1467 O O . THR A 1 198 ? 7.973 -26.766 -22.165 1.00 28.46 ? 187 THR A O 1 ATOM 1468 C CB . THR A 1 198 ? 9.015 -24.293 -20.198 1.00 29.35 ? 187 THR A CB 1 ATOM 1469 O OG1 . THR A 1 198 ? 9.533 -24.041 -18.883 1.00 27.48 ? 187 THR A OG1 1 ATOM 1470 C CG2 . THR A 1 198 ? 7.494 -24.187 -20.176 1.00 24.70 ? 187 THR A CG2 1 ATOM 1471 N N . TRP A 1 199 ? 9.475 -25.421 -23.188 1.00 24.84 ? 188 TRP A N 1 ATOM 1472 C CA . TRP A 1 199 ? 8.939 -25.611 -24.547 1.00 23.63 ? 188 TRP A CA 1 ATOM 1473 C C . TRP A 1 199 ? 10.034 -26.043 -25.529 1.00 28.93 ? 188 TRP A C 1 ATOM 1474 O O . TRP A 1 199 ? 11.146 -25.511 -25.424 1.00 28.12 ? 188 TRP A O 1 ATOM 1475 C CB . TRP A 1 199 ? 8.274 -24.281 -25.042 1.00 21.28 ? 188 TRP A CB 1 ATOM 1476 C CG . TRP A 1 199 ? 7.557 -24.401 -26.362 1.00 21.46 ? 188 TRP A CG 1 ATOM 1477 C CD1 . TRP A 1 199 ? 6.256 -24.768 -26.560 1.00 24.17 ? 188 TRP A CD1 1 ATOM 1478 C CD2 . TRP A 1 199 ? 8.111 -24.172 -27.662 1.00 21.04 ? 188 TRP A CD2 1 ATOM 1479 N NE1 . TRP A 1 199 ? 5.968 -24.788 -27.906 1.00 23.61 ? 188 TRP A NE1 1 ATOM 1480 C CE2 . TRP A 1 199 ? 7.094 -24.440 -28.607 1.00 25.24 ? 188 TRP A CE2 1 ATOM 1481 C CE3 . TRP A 1 199 ? 9.386 -23.798 -28.129 1.00 21.67 ? 188 TRP A CE3 1 ATOM 1482 C CZ2 . TRP A 1 199 ? 7.314 -24.357 -29.988 1.00 24.09 ? 188 TRP A CZ2 1 ATOM 1483 C CZ3 . TRP A 1 199 ? 9.598 -23.715 -29.495 1.00 22.40 ? 188 TRP A CZ3 1 ATOM 1484 C CH2 . TRP A 1 199 ? 8.578 -24.007 -30.407 1.00 23.09 ? 188 TRP A CH2 1 ATOM 1485 N N . PRO A 1 200 ? 9.763 -26.926 -26.531 1.00 27.29 ? 189 PRO A N 1 ATOM 1486 C CA . PRO A 1 200 ? 8.481 -27.563 -26.887 1.00 28.56 ? 189 PRO A CA 1 ATOM 1487 C C . PRO A 1 200 ? 8.085 -28.831 -26.123 1.00 34.46 ? 189 PRO A C 1 ATOM 1488 O O . PRO A 1 200 ? 7.059 -29.416 -26.490 1.00 34.28 ? 189 PRO A O 1 ATOM 1489 C CB . PRO A 1 200 ? 8.637 -27.829 -28.387 1.00 30.21 ? 189 PRO A CB 1 ATOM 1490 C CG . PRO A 1 200 ? 10.097 -28.063 -28.573 1.00 34.12 ? 189 PRO A CG 1 ATOM 1491 C CD . PRO A 1 200 ? 10.811 -27.259 -27.513 1.00 29.12 ? 189 PRO A CD 1 ATOM 1492 N N . SER A 1 201 ? 8.821 -29.226 -25.050 1.00 31.71 ? 190 SER A N 1 ATOM 1493 C CA . SER A 1 201 ? 8.461 -30.429 -24.273 1.00 31.07 ? 190 SER A CA 1 ATOM 1494 C C . SER A 1 201 ? 7.019 -30.351 -23.743 1.00 34.16 ? 190 SER A C 1 ATOM 1495 O O . SER A 1 201 ? 6.267 -31.300 -23.932 1.00 34.90 ? 190 SER A O 1 ATOM 1496 C CB . SER A 1 201 ? 9.482 -30.745 -23.177 1.00 33.24 ? 190 SER A CB 1 ATOM 1497 O OG . SER A 1 201 ? 9.518 -29.785 -22.133 1.00 36.68 ? 190 SER A OG 1 ATOM 1498 N N . GLN A 1 202 ? 6.606 -29.194 -23.195 1.00 29.41 ? 191 GLN A N 1 ATOM 1499 C CA . GLN A 1 202 ? 5.229 -28.964 -22.736 1.00 28.40 ? 191 GLN A CA 1 ATOM 1500 C C . GLN A 1 202 ? 4.479 -28.164 -23.817 1.00 29.59 ? 191 GLN A C 1 ATOM 1501 O O . GLN A 1 202 ? 5.076 -27.301 -24.462 1.00 28.48 ? 191 GLN A O 1 ATOM 1502 C CB . GLN A 1 202 ? 5.188 -28.223 -21.389 1.00 29.61 ? 191 GLN A CB 1 ATOM 1503 C CG . GLN A 1 202 ? 6.040 -28.864 -20.286 1.00 40.88 ? 191 GLN A CG 1 ATOM 1504 C CD . GLN A 1 202 ? 6.194 -27.976 -19.078 1.00 56.48 ? 191 GLN A CD 1 ATOM 1505 O OE1 . GLN A 1 202 ? 7.255 -27.933 -18.451 1.00 53.64 ? 191 GLN A OE1 1 ATOM 1506 N NE2 . GLN A 1 202 ? 5.149 -27.234 -18.723 1.00 47.91 ? 191 GLN A NE2 1 ATOM 1507 N N . SER A 1 203 ? 3.188 -28.468 -24.037 1.00 24.83 ? 192 SER A N 1 ATOM 1508 C CA . SER A 1 203 ? 2.408 -27.787 -25.083 1.00 23.63 ? 192 SER A CA 1 ATOM 1509 C C . SER A 1 203 ? 2.022 -26.378 -24.658 1.00 25.52 ? 192 SER A C 1 ATOM 1510 O O . SER A 1 203 ? 1.681 -26.148 -23.489 1.00 24.22 ? 192 SER A O 1 ATOM 1511 C CB . SER A 1 203 ? 1.156 -28.582 -25.445 1.00 27.42 ? 192 SER A CB 1 ATOM 1512 O OG . SER A 1 203 ? 0.280 -28.675 -24.336 1.00 38.87 ? 192 SER A OG 1 ATOM 1513 N N . ILE A 1 204 ? 2.105 -25.428 -25.603 1.00 21.39 ? 193 ILE A N 1 ATOM 1514 C CA . ILE A 1 204 ? 1.719 -24.028 -25.349 1.00 19.18 ? 193 ILE A CA 1 ATOM 1515 C C . ILE A 1 204 ? 0.773 -23.632 -26.476 1.00 20.50 ? 193 ILE A C 1 ATOM 1516 O O . ILE A 1 204 ? 1.136 -23.722 -27.638 1.00 19.74 ? 193 ILE A O 1 ATOM 1517 C CB . ILE A 1 204 ? 2.928 -23.054 -25.178 1.00 21.32 ? 193 ILE A CB 1 ATOM 1518 C CG1 . ILE A 1 204 ? 3.747 -23.407 -23.900 1.00 20.75 ? 193 ILE A CG1 1 ATOM 1519 C CG2 . ILE A 1 204 ? 2.446 -21.576 -25.114 1.00 20.14 ? 193 ILE A CG2 1 ATOM 1520 C CD1 . ILE A 1 204 ? 5.084 -22.800 -23.841 1.00 26.46 ? 193 ILE A CD1 1 ATOM 1521 N N . THR A 1 205 ? -0.443 -23.214 -26.115 1.00 17.01 ? 194 THR A N 1 ATOM 1522 C CA . THR A 1 205 ? -1.485 -22.808 -27.058 1.00 16.05 ? 194 THR A CA 1 ATOM 1523 C C . THR A 1 205 ? -1.973 -21.383 -26.733 1.00 18.33 ? 194 THR A C 1 ATOM 1524 O O . THR A 1 205 ? -2.150 -21.020 -25.565 1.00 16.12 ? 194 THR A O 1 ATOM 1525 C CB . THR A 1 205 ? -2.672 -23.819 -26.932 1.00 22.55 ? 194 THR A CB 1 ATOM 1526 O OG1 . THR A 1 205 ? -2.172 -25.125 -27.193 1.00 23.56 ? 194 THR A OG1 1 ATOM 1527 C CG2 . THR A 1 205 ? -3.840 -23.520 -27.891 1.00 14.74 ? 194 THR A CG2 1 ATOM 1528 N N . CYS A 1 206 ? -2.195 -20.589 -27.789 1.00 17.56 ? 195 CYS A N 1 ATOM 1529 C CA . CYS A 1 206 ? -2.765 -19.248 -27.696 1.00 18.36 ? 195 CYS A CA 1 ATOM 1530 C C . CYS A 1 206 ? -4.295 -19.439 -27.834 1.00 20.05 ? 195 CYS A C 1 ATOM 1531 O O . CYS A 1 206 ? -4.725 -20.128 -28.756 1.00 20.47 ? 195 CYS A O 1 ATOM 1532 C CB . CYS A 1 206 ? -2.214 -18.369 -28.822 1.00 20.40 ? 195 CYS A CB 1 ATOM 1533 S SG . CYS A 1 206 ? -2.990 -16.744 -28.921 1.00 25.61 ? 195 CYS A SG 1 ATOM 1534 N N . ASN A 1 207 ? -5.094 -18.846 -26.933 1.00 15.73 ? 196 ASN A N 1 ATOM 1535 C CA . ASN A 1 207 ? -6.565 -18.898 -26.976 1.00 15.39 ? 196 ASN A CA 1 ATOM 1536 C C . ASN A 1 207 ? -7.072 -17.492 -27.239 1.00 18.33 ? 196 ASN A C 1 ATOM 1537 O O . ASN A 1 207 ? -6.672 -16.548 -26.551 1.00 17.59 ? 196 ASN A O 1 ATOM 1538 C CB . ASN A 1 207 ? -7.177 -19.415 -25.654 1.00 13.04 ? 196 ASN A CB 1 ATOM 1539 C CG . ASN A 1 207 ? -6.300 -20.374 -24.893 1.00 24.09 ? 196 ASN A CG 1 ATOM 1540 O OD1 . ASN A 1 207 ? -5.627 -20.001 -23.937 1.00 26.44 ? 196 ASN A OD1 1 ATOM 1541 N ND2 . ASN A 1 207 ? -6.225 -21.607 -25.354 1.00 20.52 ? 196 ASN A ND2 1 ATOM 1542 N N . VAL A 1 208 ? -7.967 -17.355 -28.206 1.00 14.13 ? 197 VAL A N 1 ATOM 1543 C CA . VAL A 1 208 ? -8.534 -16.048 -28.552 1.00 14.64 ? 197 VAL A CA 1 ATOM 1544 C C . VAL A 1 208 ? -10.062 -16.150 -28.578 1.00 21.39 ? 197 VAL A C 1 ATOM 1545 O O . VAL A 1 208 ? -10.613 -16.972 -29.315 1.00 21.27 ? 197 VAL A O 1 ATOM 1546 C CB . VAL A 1 208 ? -7.977 -15.511 -29.896 1.00 17.44 ? 197 VAL A CB 1 ATOM 1547 C CG1 . VAL A 1 208 ? -8.596 -14.147 -30.241 1.00 17.23 ? 197 VAL A CG1 1 ATOM 1548 C CG2 . VAL A 1 208 ? -6.453 -15.415 -29.839 1.00 16.76 ? 197 VAL A CG2 1 ATOM 1549 N N . ALA A 1 209 ? -10.722 -15.296 -27.791 1.00 18.07 ? 198 ALA A N 1 ATOM 1550 C CA . ALA A 1 209 ? -12.180 -15.200 -27.761 1.00 18.06 ? 198 ALA A CA 1 ATOM 1551 C C . ALA A 1 209 ? -12.566 -13.825 -28.282 1.00 21.01 ? 198 ALA A C 1 ATOM 1552 O O . ALA A 1 209 ? -11.954 -12.840 -27.885 1.00 20.68 ? 198 ALA A O 1 ATOM 1553 C CB . ALA A 1 209 ? -12.697 -15.399 -26.337 1.00 18.54 ? 198 ALA A CB 1 ATOM 1554 N N . HIS A 1 210 ? -13.547 -13.763 -29.221 1.00 16.81 ? 199 HIS A N 1 ATOM 1555 C CA . HIS A 1 210 ? -14.084 -12.527 -29.775 1.00 15.88 ? 199 HIS A CA 1 ATOM 1556 C C . HIS A 1 210 ? -15.613 -12.685 -29.632 1.00 26.44 ? 199 HIS A C 1 ATOM 1557 O O . HIS A 1 210 ? -16.227 -13.355 -30.469 1.00 25.76 ? 199 HIS A O 1 ATOM 1558 C CB . HIS A 1 210 ? -13.681 -12.367 -31.245 1.00 15.57 ? 199 HIS A CB 1 ATOM 1559 C CG . HIS A 1 210 ? -14.040 -11.038 -31.825 1.00 18.02 ? 199 HIS A CG 1 ATOM 1560 N ND1 . HIS A 1 210 ? -14.651 -10.934 -33.059 1.00 20.03 ? 199 HIS A ND1 1 ATOM 1561 C CD2 . HIS A 1 210 ? -13.890 -9.803 -31.311 1.00 18.90 ? 199 HIS A CD2 1 ATOM 1562 C CE1 . HIS A 1 210 ? -14.852 -9.642 -33.261 1.00 18.68 ? 199 HIS A CE1 1 ATOM 1563 N NE2 . HIS A 1 210 ? -14.392 -8.921 -32.242 1.00 18.77 ? 199 HIS A NE2 1 ATOM 1564 N N . PRO A 1 211 ? -16.225 -12.154 -28.541 1.00 27.41 ? 200 PRO A N 1 ATOM 1565 C CA . PRO A 1 211 ? -17.667 -12.376 -28.320 1.00 27.78 ? 200 PRO A CA 1 ATOM 1566 C C . PRO A 1 211 ? -18.574 -11.749 -29.357 1.00 31.08 ? 200 PRO A C 1 ATOM 1567 O O . PRO A 1 211 ? -19.591 -12.356 -29.701 1.00 31.30 ? 200 PRO A O 1 ATOM 1568 C CB . PRO A 1 211 ? -17.928 -11.814 -26.918 1.00 29.92 ? 200 PRO A CB 1 ATOM 1569 C CG . PRO A 1 211 ? -16.625 -11.468 -26.349 1.00 35.06 ? 200 PRO A CG 1 ATOM 1570 C CD . PRO A 1 211 ? -15.643 -11.321 -27.475 1.00 30.27 ? 200 PRO A CD 1 ATOM 1571 N N . ALA A 1 212 ? -18.185 -10.570 -29.891 1.00 25.73 ? 201 ALA A N 1 ATOM 1572 C CA . ALA A 1 212 ? -18.946 -9.862 -30.922 1.00 25.01 ? 201 ALA A CA 1 ATOM 1573 C C . ALA A 1 212 ? -19.234 -10.733 -32.150 1.00 27.02 ? 201 ALA A C 1 ATOM 1574 O O . ALA A 1 212 ? -20.335 -10.641 -32.699 1.00 25.83 ? 201 ALA A O 1 ATOM 1575 C CB . ALA A 1 212 ? -18.229 -8.588 -31.323 1.00 26.14 ? 201 ALA A CB 1 ATOM 1576 N N . SER A 1 213 ? -18.275 -11.616 -32.551 1.00 23.58 ? 202 SER A N 1 ATOM 1577 C CA . SER A 1 213 ? -18.436 -12.558 -33.684 1.00 23.00 ? 202 SER A CA 1 ATOM 1578 C C . SER A 1 213 ? -18.790 -13.962 -33.182 1.00 29.42 ? 202 SER A C 1 ATOM 1579 O O . SER A 1 213 ? -18.969 -14.875 -33.994 1.00 31.50 ? 202 SER A O 1 ATOM 1580 C CB . SER A 1 213 ? -17.172 -12.611 -34.540 1.00 24.15 ? 202 SER A CB 1 ATOM 1581 O OG . SER A 1 213 ? -16.078 -13.163 -33.823 1.00 25.34 ? 202 SER A OG 1 ATOM 1582 N N . SER A 1 214 ? -18.876 -14.138 -31.848 1.00 26.44 ? 203 SER A N 1 ATOM 1583 C CA . SER A 1 214 ? -19.138 -15.414 -31.166 1.00 27.66 ? 203 SER A CA 1 ATOM 1584 C C . SER A 1 214 ? -18.136 -16.510 -31.576 1.00 33.26 ? 203 SER A C 1 ATOM 1585 O O . SER A 1 214 ? -18.523 -17.643 -31.914 1.00 34.55 ? 203 SER A O 1 ATOM 1586 C CB . SER A 1 214 ? -20.595 -15.849 -31.353 1.00 32.51 ? 203 SER A CB 1 ATOM 1587 O OG . SER A 1 214 ? -21.443 -15.035 -30.557 1.00 43.82 ? 203 SER A OG 1 ATOM 1588 N N . THR A 1 215 ? -16.831 -16.150 -31.582 1.00 27.05 ? 204 THR A N 1 ATOM 1589 C CA . THR A 1 215 ? -15.755 -17.061 -31.976 1.00 24.94 ? 204 THR A CA 1 ATOM 1590 C C . THR A 1 215 ? -14.757 -17.298 -30.845 1.00 28.59 ? 204 THR A C 1 ATOM 1591 O O . THR A 1 215 ? -14.491 -16.394 -30.044 1.00 27.45 ? 204 THR A O 1 ATOM 1592 C CB . THR A 1 215 ? -15.083 -16.576 -33.278 1.00 32.60 ? 204 THR A CB 1 ATOM 1593 O OG1 . THR A 1 215 ? -14.517 -15.294 -33.062 1.00 35.81 ? 204 THR A OG1 1 ATOM 1594 C CG2 . THR A 1 215 ? -16.058 -16.499 -34.459 1.00 27.88 ? 204 THR A CG2 1 ATOM 1595 N N . LYS A 1 216 ? -14.242 -18.532 -30.756 1.00 25.13 ? 205 LYS A N 1 ATOM 1596 C CA . LYS A 1 216 ? -13.242 -18.952 -29.769 1.00 24.54 ? 205 LYS A CA 1 ATOM 1597 C C . LYS A 1 216 ? -12.253 -19.821 -30.541 1.00 29.84 ? 205 LYS A C 1 ATOM 1598 O O . LYS A 1 216 ? -12.656 -20.838 -31.099 1.00 31.23 ? 205 LYS A O 1 ATOM 1599 C CB . LYS A 1 216 ? -13.867 -19.717 -28.591 1.00 25.74 ? 205 LYS A CB 1 ATOM 1600 C CG . LYS A 1 216 ? -14.523 -18.822 -27.561 1.00 41.29 ? 205 LYS A CG 1 ATOM 1601 C CD . LYS A 1 216 ? -14.824 -19.573 -26.272 1.00 59.68 ? 205 LYS A CD 1 ATOM 1602 C CE . LYS A 1 216 ? -16.252 -20.052 -26.166 1.00 75.93 ? 205 LYS A CE 1 ATOM 1603 N NZ . LYS A 1 216 ? -16.497 -20.753 -24.874 1.00 88.06 ? 205 LYS A NZ 1 ATOM 1604 N N . VAL A 1 217 ? -10.992 -19.367 -30.678 1.00 22.96 ? 206 VAL A N 1 ATOM 1605 C CA . VAL A 1 217 ? -9.980 -20.077 -31.475 1.00 22.40 ? 206 VAL A CA 1 ATOM 1606 C C . VAL A 1 217 ? -8.756 -20.405 -30.617 1.00 25.90 ? 206 VAL A C 1 ATOM 1607 O O . VAL A 1 217 ? -8.271 -19.539 -29.895 1.00 24.40 ? 206 VAL A O 1 ATOM 1608 C CB . VAL A 1 217 ? -9.620 -19.220 -32.732 1.00 27.31 ? 206 VAL A CB 1 ATOM 1609 C CG1 . VAL A 1 217 ? -8.370 -19.730 -33.459 1.00 27.46 ? 206 VAL A CG1 1 ATOM 1610 C CG2 . VAL A 1 217 ? -10.805 -19.132 -33.700 1.00 27.33 ? 206 VAL A CG2 1 ATOM 1611 N N . ASP A 1 218 ? -8.270 -21.659 -30.702 1.00 21.96 ? 207 ASP A N 1 ATOM 1612 C CA . ASP A 1 218 ? -7.036 -22.148 -30.075 1.00 21.13 ? 207 ASP A CA 1 ATOM 1613 C C . ASP A 1 218 ? -5.988 -22.403 -31.163 1.00 23.92 ? 207 ASP A C 1 ATOM 1614 O O . ASP A 1 218 ? -6.292 -23.029 -32.182 1.00 23.54 ? 207 ASP A O 1 ATOM 1615 C CB . ASP A 1 218 ? -7.278 -23.445 -29.292 1.00 23.58 ? 207 ASP A CB 1 ATOM 1616 C CG . ASP A 1 218 ? -8.161 -23.300 -28.067 1.00 39.67 ? 207 ASP A CG 1 ATOM 1617 O OD1 . ASP A 1 218 ? -8.060 -22.258 -27.375 1.00 38.16 ? 207 ASP A OD1 1 ATOM 1618 O OD2 . ASP A 1 218 ? -8.941 -24.236 -27.785 1.00 51.45 ? 207 ASP A OD2 1 ATOM 1619 N N . LYS A 1 219 ? -4.757 -21.902 -30.958 1.00 19.01 ? 208 LYS A N 1 ATOM 1620 C CA . LYS A 1 219 ? -3.639 -22.121 -31.849 1.00 18.04 ? 208 LYS A CA 1 ATOM 1621 C C . LYS A 1 219 ? -2.439 -22.616 -31.058 1.00 22.47 ? 208 LYS A C 1 ATOM 1622 O O . LYS A 1 219 ? -1.853 -21.857 -30.276 1.00 20.57 ? 208 LYS A O 1 ATOM 1623 C CB . LYS A 1 219 ? -3.289 -20.855 -32.656 1.00 20.71 ? 208 LYS A CB 1 ATOM 1624 C CG . LYS A 1 219 ? -4.299 -20.501 -33.730 1.00 19.15 ? 208 LYS A CG 1 ATOM 1625 C CD . LYS A 1 219 ? -4.385 -21.551 -34.844 1.00 28.81 ? 208 LYS A CD 1 ATOM 1626 C CE . LYS A 1 219 ? -5.714 -21.493 -35.570 1.00 34.32 ? 208 LYS A CE 1 ATOM 1627 N NZ . LYS A 1 219 ? -5.812 -20.302 -36.453 1.00 33.86 ? 208 LYS A NZ 1 ATOM 1628 N N . LYS A 1 220 ? -2.123 -23.914 -31.206 1.00 19.01 ? 209 LYS A N 1 ATOM 1629 C CA . LYS A 1 220 ? -0.989 -24.536 -30.542 1.00 19.24 ? 209 LYS A CA 1 ATOM 1630 C C . LYS A 1 220 ? 0.290 -24.046 -31.227 1.00 22.62 ? 209 LYS A C 1 ATOM 1631 O O . LYS A 1 220 ? 0.333 -24.002 -32.459 1.00 21.94 ? 209 LYS A O 1 ATOM 1632 C CB . LYS A 1 220 ? -1.097 -26.076 -30.646 1.00 22.59 ? 209 LYS A CB 1 ATOM 1633 C CG . LYS A 1 220 ? -0.009 -26.820 -29.880 1.00 30.50 ? 209 LYS A CG 1 ATOM 1634 C CD . LYS A 1 220 ? -0.265 -28.319 -29.793 1.00 38.53 ? 209 LYS A CD 1 ATOM 1635 C CE . LYS A 1 220 ? 0.913 -29.031 -29.156 1.00 45.44 ? 209 LYS A CE 1 ATOM 1636 N NZ . LYS A 1 220 ? 0.663 -30.494 -28.971 1.00 49.76 ? 209 LYS A NZ 1 ATOM 1637 N N . ILE A 1 221 ? 1.321 -23.667 -30.436 1.00 19.87 ? 210 ILE A N 1 ATOM 1638 C CA . ILE A 1 221 ? 2.601 -23.230 -31.006 1.00 20.05 ? 210 ILE A CA 1 ATOM 1639 C C . ILE A 1 221 ? 3.432 -24.472 -31.322 1.00 27.02 ? 210 ILE A C 1 ATOM 1640 O O . ILE A 1 221 ? 3.825 -25.203 -30.415 1.00 28.23 ? 210 ILE A O 1 ATOM 1641 C CB . ILE A 1 221 ? 3.381 -22.190 -30.132 1.00 22.93 ? 210 ILE A CB 1 ATOM 1642 C CG1 . ILE A 1 221 ? 2.459 -21.069 -29.546 1.00 22.38 ? 210 ILE A CG1 1 ATOM 1643 C CG2 . ILE A 1 221 ? 4.577 -21.597 -30.912 1.00 23.57 ? 210 ILE A CG2 1 ATOM 1644 C CD1 . ILE A 1 221 ? 1.624 -20.263 -30.554 1.00 23.19 ? 210 ILE A CD1 1 ATOM 1645 N N . GLU A 1 222 ? 3.681 -24.718 -32.601 1.00 25.23 ? 211 GLU A N 1 ATOM 1646 C CA . GLU A 1 222 ? 4.450 -25.896 -33.015 1.00 25.35 ? 211 GLU A CA 1 ATOM 1647 C C . GLU A 1 222 ? 5.815 -25.459 -33.559 1.00 30.15 ? 211 GLU A C 1 ATOM 1648 O O . GLU A 1 222 ? 5.863 -24.486 -34.319 1.00 29.21 ? 211 GLU A O 1 ATOM 1649 C CB . GLU A 1 222 ? 3.691 -26.673 -34.118 1.00 26.27 ? 211 GLU A CB 1 ATOM 1650 C CG . GLU A 1 222 ? 2.288 -27.150 -33.752 1.00 36.69 ? 211 GLU A CG 1 ATOM 1651 C CD . GLU A 1 222 ? 2.135 -28.462 -33.002 1.00 59.91 ? 211 GLU A CD 1 ATOM 1652 O OE1 . GLU A 1 222 ? 3.101 -28.913 -32.343 1.00 49.96 ? 211 GLU A OE1 1 ATOM 1653 O OE2 . GLU A 1 222 ? 1.019 -29.027 -33.052 1.00 62.61 ? 211 GLU A OE2 1 ATOM 1654 N N . PRO A 1 223 ? 6.915 -26.204 -33.280 1.00 28.93 ? 212 PRO A N 1 ATOM 1655 C CA . PRO A 1 223 ? 8.219 -25.844 -33.880 1.00 29.53 ? 212 PRO A CA 1 ATOM 1656 C C . PRO A 1 223 ? 8.128 -25.774 -35.408 1.00 32.10 ? 212 PRO A C 1 ATOM 1657 O O . PRO A 1 223 ? 7.400 -26.573 -36.002 1.00 32.69 ? 212 PRO A O 1 ATOM 1658 C CB . PRO A 1 223 ? 9.143 -26.980 -33.431 1.00 31.21 ? 212 PRO A CB 1 ATOM 1659 C CG . PRO A 1 223 ? 8.518 -27.497 -32.186 1.00 36.22 ? 212 PRO A CG 1 ATOM 1660 C CD . PRO A 1 223 ? 7.035 -27.400 -32.422 1.00 31.06 ? 212 PRO A CD 1 ATOM 1661 N N . ARG A 1 224 ? 8.777 -24.773 -36.032 1.00 27.83 ? 213 ARG A N 1 ATOM 1662 C CA . ARG A 1 224 ? 8.751 -24.578 -37.496 1.00 36.18 ? 213 ARG A CA 1 ATOM 1663 C C . ARG A 1 224 ? 9.377 -25.752 -38.269 1.00 67.12 ? 213 ARG A C 1 ATOM 1664 O O . ARG A 1 224 ? 10.517 -26.135 -38.000 1.00 40.13 ? 213 ARG A O 1 ATOM 1665 C CB . ARG A 1 224 ? 9.420 -23.248 -37.901 1.00 35.25 ? 213 ARG A CB 1 ATOM 1666 C CG . ARG A 1 224 ? 8.534 -22.018 -37.727 1.00 37.94 ? 213 ARG A CG 1 ATOM 1667 C CD . ARG A 1 224 ? 9.290 -20.731 -38.050 1.00 39.65 ? 213 ARG A CD 1 ATOM 1668 N NE . ARG A 1 224 ? 8.685 -19.571 -37.384 1.00 35.62 ? 213 ARG A NE 1 ATOM 1669 C CZ . ARG A 1 224 ? 7.783 -18.762 -37.938 1.00 40.48 ? 213 ARG A CZ 1 ATOM 1670 N NH1 . ARG A 1 224 ? 7.375 -18.964 -39.191 1.00 24.50 ? 213 ARG A NH1 1 ATOM 1671 N NH2 . ARG A 1 224 ? 7.284 -17.744 -37.248 1.00 21.06 ? 213 ARG A NH2 1 ATOM 1672 N N . ASP B 2 1 ? -8.400 33.324 -26.253 1.00 29.22 ? 1 ASP B N 1 ATOM 1673 C CA . ASP B 2 1 ? -8.572 32.201 -25.320 1.00 28.16 ? 1 ASP B CA 1 ATOM 1674 C C . ASP B 2 1 ? -7.332 32.087 -24.428 1.00 29.76 ? 1 ASP B C 1 ATOM 1675 O O . ASP B 2 1 ? -6.224 32.372 -24.900 1.00 29.34 ? 1 ASP B O 1 ATOM 1676 C CB . ASP B 2 1 ? -8.698 30.876 -26.096 1.00 29.96 ? 1 ASP B CB 1 ATOM 1677 C CG . ASP B 2 1 ? -9.771 30.818 -27.161 1.00 36.98 ? 1 ASP B CG 1 ATOM 1678 O OD1 . ASP B 2 1 ? -10.698 31.666 -27.124 1.00 37.30 ? 1 ASP B OD1 1 ATOM 1679 O OD2 . ASP B 2 1 ? -9.739 29.873 -27.972 1.00 35.04 ? 1 ASP B OD2 1 ATOM 1680 N N . ILE B 2 2 ? -7.505 31.607 -23.176 1.00 21.74 ? 2 ILE B N 1 ATOM 1681 C CA . ILE B 2 2 ? -6.363 31.408 -22.274 1.00 20.40 ? 2 ILE B CA 1 ATOM 1682 C C . ILE B 2 2 ? -5.781 30.006 -22.483 1.00 23.98 ? 2 ILE B C 1 ATOM 1683 O O . ILE B 2 2 ? -6.527 29.037 -22.587 1.00 24.08 ? 2 ILE B O 1 ATOM 1684 C CB . ILE B 2 2 ? -6.730 31.720 -20.806 1.00 23.05 ? 2 ILE B CB 1 ATOM 1685 C CG1 . ILE B 2 2 ? -7.233 33.168 -20.688 1.00 23.05 ? 2 ILE B CG1 1 ATOM 1686 C CG2 . ILE B 2 2 ? -5.529 31.477 -19.859 1.00 22.42 ? 2 ILE B CG2 1 ATOM 1687 C CD1 . ILE B 2 2 ? -8.260 33.379 -19.670 1.00 27.56 ? 2 ILE B CD1 1 ATOM 1688 N N . VAL B 2 3 ? -4.457 29.905 -22.601 1.00 19.14 ? 3 VAL B N 1 ATOM 1689 C CA . VAL B 2 3 ? -3.807 28.615 -22.828 1.00 19.38 ? 3 VAL B CA 1 ATOM 1690 C C . VAL B 2 3 ? -2.989 28.223 -21.575 1.00 20.75 ? 3 VAL B C 1 ATOM 1691 O O . VAL B 2 3 ? -2.401 29.097 -20.953 1.00 19.63 ? 3 VAL B O 1 ATOM 1692 C CB . VAL B 2 3 ? -2.998 28.667 -24.157 1.00 24.38 ? 3 VAL B CB 1 ATOM 1693 C CG1 . VAL B 2 3 ? -1.734 27.809 -24.120 1.00 24.64 ? 3 VAL B CG1 1 ATOM 1694 C CG2 . VAL B 2 3 ? -3.888 28.279 -25.337 1.00 24.71 ? 3 VAL B CG2 1 ATOM 1695 N N . MET B 2 4 ? -2.988 26.917 -21.197 1.00 13.89 ? 4 MET B N 1 ATOM 1696 C CA . MET B 2 4 ? -2.222 26.438 -20.042 1.00 13.24 ? 4 MET B CA 1 ATOM 1697 C C . MET B 2 4 ? -1.050 25.638 -20.573 1.00 20.11 ? 4 MET B C 1 ATOM 1698 O O . MET B 2 4 ? -1.272 24.686 -21.323 1.00 21.97 ? 4 MET B O 1 ATOM 1699 C CB . MET B 2 4 ? -3.109 25.577 -19.130 1.00 14.25 ? 4 MET B CB 1 ATOM 1700 C CG . MET B 2 4 ? -4.281 26.345 -18.523 1.00 16.31 ? 4 MET B CG 1 ATOM 1701 S SD . MET B 2 4 ? -3.791 27.842 -17.631 1.00 20.77 ? 4 MET B SD 1 ATOM 1702 C CE . MET B 2 4 ? -3.153 27.154 -16.152 1.00 17.18 ? 4 MET B CE 1 ATOM 1703 N N . THR B 2 5 ? 0.194 26.074 -20.284 1.00 16.35 ? 5 THR B N 1 ATOM 1704 C CA . THR B 2 5 ? 1.379 25.362 -20.805 1.00 15.90 ? 5 THR B CA 1 ATOM 1705 C C . THR B 2 5 ? 1.981 24.536 -19.702 1.00 19.38 ? 5 THR B C 1 ATOM 1706 O O . THR B 2 5 ? 2.593 25.058 -18.762 1.00 18.21 ? 5 THR B O 1 ATOM 1707 C CB . THR B 2 5 ? 2.383 26.297 -21.517 1.00 25.26 ? 5 THR B CB 1 ATOM 1708 O OG1 . THR B 2 5 ? 1.709 26.994 -22.570 1.00 26.01 ? 5 THR B OG1 1 ATOM 1709 C CG2 . THR B 2 5 ? 3.588 25.536 -22.100 1.00 22.62 ? 5 THR B CG2 1 ATOM 1710 N N . GLN B 2 6 ? 1.775 23.239 -19.803 1.00 16.52 ? 6 GLN B N 1 ATOM 1711 C CA . GLN B 2 6 ? 2.247 22.356 -18.767 1.00 17.62 ? 6 GLN B CA 1 ATOM 1712 C C . GLN B 2 6 ? 3.668 21.964 -19.008 1.00 24.83 ? 6 GLN B C 1 ATOM 1713 O O . GLN B 2 6 ? 4.107 21.878 -20.148 1.00 23.62 ? 6 GLN B O 1 ATOM 1714 C CB . GLN B 2 6 ? 1.337 21.119 -18.663 1.00 18.56 ? 6 GLN B CB 1 ATOM 1715 C CG . GLN B 2 6 ? 1.378 20.453 -17.312 1.00 15.71 ? 6 GLN B CG 1 ATOM 1716 C CD . GLN B 2 6 ? 0.232 19.507 -17.049 1.00 20.82 ? 6 GLN B CD 1 ATOM 1717 O OE1 . GLN B 2 6 ? -0.911 19.701 -17.490 1.00 15.85 ? 6 GLN B OE1 1 ATOM 1718 N NE2 . GLN B 2 6 ? 0.506 18.513 -16.228 1.00 12.15 ? 6 GLN B NE2 1 ATOM 1719 N N . SER B 2 7 ? 4.380 21.660 -17.921 1.00 24.90 ? 7 SER B N 1 ATOM 1720 C CA . SER B 2 7 ? 5.742 21.165 -17.955 1.00 25.63 ? 7 SER B CA 1 ATOM 1721 C C . SER B 2 7 ? 5.742 19.770 -18.634 1.00 30.36 ? 7 SER B C 1 ATOM 1722 O O . SER B 2 7 ? 4.686 19.284 -19.073 1.00 31.19 ? 7 SER B O 1 ATOM 1723 C CB . SER B 2 7 ? 6.292 21.084 -16.533 1.00 28.50 ? 7 SER B CB 1 ATOM 1724 O OG . SER B 2 7 ? 5.422 20.320 -15.716 1.00 32.10 ? 7 SER B OG 1 ATOM 1725 N N . GLN B 2 8 ? 6.927 19.166 -18.749 1.00 25.84 ? 8 GLN B N 1 ATOM 1726 C CA . GLN B 2 8 ? 7.224 17.836 -19.281 1.00 25.47 ? 8 GLN B CA 1 ATOM 1727 C C . GLN B 2 8 ? 6.046 16.875 -19.333 1.00 24.65 ? 8 GLN B C 1 ATOM 1728 O O . GLN B 2 8 ? 5.388 16.676 -18.319 1.00 23.90 ? 8 GLN B O 1 ATOM 1729 C CB . GLN B 2 8 ? 8.317 17.206 -18.402 1.00 27.50 ? 8 GLN B CB 1 ATOM 1730 C CG . GLN B 2 8 ? 9.720 17.327 -18.984 1.00 47.97 ? 8 GLN B CG 1 ATOM 1731 C CD . GLN B 2 8 ? 10.443 16.003 -18.918 1.00 73.95 ? 8 GLN B CD 1 ATOM 1732 O OE1 . GLN B 2 8 ? 10.826 15.429 -19.946 1.00 74.98 ? 8 GLN B OE1 1 ATOM 1733 N NE2 . GLN B 2 8 ? 10.664 15.487 -17.705 1.00 59.06 ? 8 GLN B NE2 1 ATOM 1734 N N . LYS B 2 9 ? 5.843 16.217 -20.476 1.00 19.21 ? 9 LYS B N 1 ATOM 1735 C CA . LYS B 2 9 ? 4.801 15.210 -20.699 1.00 19.02 ? 9 LYS B CA 1 ATOM 1736 C C . LYS B 2 9 ? 5.060 13.931 -19.858 1.00 19.68 ? 9 LYS B C 1 ATOM 1737 O O . LYS B 2 9 ? 4.108 13.242 -19.465 1.00 14.84 ? 9 LYS B O 1 ATOM 1738 C CB . LYS B 2 9 ? 4.724 14.859 -22.204 1.00 23.12 ? 9 LYS B CB 1 ATOM 1739 C CG . LYS B 2 9 ? 3.392 14.255 -22.618 1.00 47.06 ? 9 LYS B CG 1 ATOM 1740 C CD . LYS B 2 9 ? 3.174 14.267 -24.134 1.00 55.43 ? 9 LYS B CD 1 ATOM 1741 C CE . LYS B 2 9 ? 2.684 12.935 -24.678 1.00 64.49 ? 9 LYS B CE 1 ATOM 1742 N NZ . LYS B 2 9 ? 1.276 12.631 -24.298 1.00 68.60 ? 9 LYS B NZ 1 ATOM 1743 N N . PHE B 2 10 ? 6.349 13.611 -19.611 1.00 17.38 ? 10 PHE B N 1 ATOM 1744 C CA . PHE B 2 10 ? 6.719 12.428 -18.818 1.00 18.36 ? 10 PHE B CA 1 ATOM 1745 C C . PHE B 2 10 ? 7.743 12.796 -17.760 1.00 19.09 ? 10 PHE B C 1 ATOM 1746 O O . PHE B 2 10 ? 8.684 13.541 -18.041 1.00 19.47 ? 10 PHE B O 1 ATOM 1747 C CB . PHE B 2 10 ? 7.266 11.279 -19.722 1.00 21.45 ? 10 PHE B CB 1 ATOM 1748 C CG . PHE B 2 10 ? 6.288 10.804 -20.770 1.00 24.06 ? 10 PHE B CG 1 ATOM 1749 C CD1 . PHE B 2 10 ? 5.322 9.850 -20.463 1.00 29.03 ? 10 PHE B CD1 1 ATOM 1750 C CD2 . PHE B 2 10 ? 6.305 11.339 -22.052 1.00 27.31 ? 10 PHE B CD2 1 ATOM 1751 C CE1 . PHE B 2 10 ? 4.388 9.444 -21.419 1.00 29.80 ? 10 PHE B CE1 1 ATOM 1752 C CE2 . PHE B 2 10 ? 5.365 10.941 -23.004 1.00 30.73 ? 10 PHE B CE2 1 ATOM 1753 C CZ . PHE B 2 10 ? 4.416 9.996 -22.679 1.00 29.47 ? 10 PHE B CZ 1 ATOM 1754 N N . MET B 2 11 ? 7.560 12.297 -16.540 1.00 15.13 ? 11 MET B N 1 ATOM 1755 C CA . MET B 2 11 ? 8.529 12.532 -15.469 1.00 14.95 ? 11 MET B CA 1 ATOM 1756 C C . MET B 2 11 ? 8.840 11.222 -14.812 1.00 17.41 ? 11 MET B C 1 ATOM 1757 O O . MET B 2 11 ? 7.915 10.515 -14.395 1.00 16.39 ? 11 MET B O 1 ATOM 1758 C CB . MET B 2 11 ? 7.997 13.505 -14.398 1.00 16.93 ? 11 MET B CB 1 ATOM 1759 C CG . MET B 2 11 ? 7.892 14.934 -14.869 1.00 21.46 ? 11 MET B CG 1 ATOM 1760 S SD . MET B 2 11 ? 7.352 16.042 -13.531 1.00 24.00 ? 11 MET B SD 1 ATOM 1761 C CE . MET B 2 11 ? 8.946 16.397 -12.772 1.00 21.46 ? 11 MET B CE 1 ATOM 1762 N N . SER B 2 12 ? 10.130 10.938 -14.670 1.00 14.56 ? 12 SER B N 1 ATOM 1763 C CA . SER B 2 12 ? 10.646 9.760 -13.973 1.00 15.65 ? 12 SER B CA 1 ATOM 1764 C C . SER B 2 12 ? 10.811 10.113 -12.507 1.00 18.66 ? 12 SER B C 1 ATOM 1765 O O . SER B 2 12 ? 11.392 11.150 -12.158 1.00 18.75 ? 12 SER B O 1 ATOM 1766 C CB . SER B 2 12 ? 11.985 9.320 -14.564 1.00 20.12 ? 12 SER B CB 1 ATOM 1767 O OG . SER B 2 12 ? 11.786 8.923 -15.910 1.00 22.34 ? 12 SER B OG 1 ATOM 1768 N N . THR B 2 13 ? 10.236 9.296 -11.644 1.00 14.52 ? 13 THR B N 1 ATOM 1769 C CA . THR B 2 13 ? 10.277 9.555 -10.211 1.00 14.68 ? 13 THR B CA 1 ATOM 1770 C C . THR B 2 13 ? 10.653 8.291 -9.427 1.00 15.75 ? 13 THR B C 1 ATOM 1771 O O . THR B 2 13 ? 10.553 7.178 -9.939 1.00 13.79 ? 13 THR B O 1 ATOM 1772 C CB . THR B 2 13 ? 8.862 10.031 -9.760 1.00 23.35 ? 13 THR B CB 1 ATOM 1773 O OG1 . THR B 2 13 ? 7.953 8.963 -10.001 1.00 23.32 ? 13 THR B OG1 1 ATOM 1774 C CG2 . THR B 2 13 ? 8.364 11.259 -10.533 1.00 20.85 ? 13 THR B CG2 1 ATOM 1775 N N . SER B 2 14 ? 10.991 8.469 -8.148 1.00 13.44 ? 14 SER B N 1 ATOM 1776 C CA . SER B 2 14 ? 11.203 7.367 -7.233 1.00 13.88 ? 14 SER B CA 1 ATOM 1777 C C . SER B 2 14 ? 10.207 7.527 -6.088 1.00 16.23 ? 14 SER B C 1 ATOM 1778 O O . SER B 2 14 ? 9.940 8.648 -5.656 1.00 15.52 ? 14 SER B O 1 ATOM 1779 C CB . SER B 2 14 ? 12.633 7.377 -6.701 1.00 16.81 ? 14 SER B CB 1 ATOM 1780 O OG . SER B 2 14 ? 13.508 7.000 -7.746 1.00 21.66 ? 14 SER B OG 1 ATOM 1781 N N . ILE B 2 15 ? 9.698 6.422 -5.575 1.00 12.33 ? 15 ILE B N 1 ATOM 1782 C CA . ILE B 2 15 ? 8.772 6.447 -4.445 1.00 12.39 ? 15 ILE B CA 1 ATOM 1783 C C . ILE B 2 15 ? 9.480 7.064 -3.226 1.00 13.08 ? 15 ILE B C 1 ATOM 1784 O O . ILE B 2 15 ? 10.640 6.777 -2.973 1.00 12.40 ? 15 ILE B O 1 ATOM 1785 C CB . ILE B 2 15 ? 8.122 5.048 -4.221 1.00 14.91 ? 15 ILE B CB 1 ATOM 1786 C CG1 . ILE B 2 15 ? 7.144 4.737 -5.400 1.00 15.89 ? 15 ILE B CG1 1 ATOM 1787 C CG2 . ILE B 2 15 ? 7.354 5.005 -2.922 1.00 16.91 ? 15 ILE B CG2 1 ATOM 1788 C CD1 . ILE B 2 15 ? 6.950 3.254 -5.702 1.00 24.54 ? 15 ILE B CD1 1 ATOM 1789 N N . GLY B 2 16 ? 8.788 7.981 -2.570 1.00 11.32 ? 16 GLY B N 1 ATOM 1790 C CA . GLY B 2 16 ? 9.278 8.762 -1.449 1.00 11.90 ? 16 GLY B CA 1 ATOM 1791 C C . GLY B 2 16 ? 9.881 10.091 -1.877 1.00 14.01 ? 16 GLY B C 1 ATOM 1792 O O . GLY B 2 16 ? 10.199 10.911 -1.029 1.00 14.09 ? 16 GLY B O 1 ATOM 1793 N N . ASP B 2 17 ? 10.040 10.336 -3.183 1.00 11.40 ? 17 ASP B N 1 ATOM 1794 C CA . ASP B 2 17 ? 10.643 11.590 -3.632 1.00 12.39 ? 17 ASP B CA 1 ATOM 1795 C C . ASP B 2 17 ? 9.638 12.721 -3.651 1.00 14.02 ? 17 ASP B C 1 ATOM 1796 O O . ASP B 2 17 ? 8.433 12.488 -3.721 1.00 11.57 ? 17 ASP B O 1 ATOM 1797 C CB . ASP B 2 17 ? 11.230 11.451 -5.052 1.00 14.95 ? 17 ASP B CB 1 ATOM 1798 C CG . ASP B 2 17 ? 12.547 10.728 -5.117 1.00 26.85 ? 17 ASP B CG 1 ATOM 1799 O OD1 . ASP B 2 17 ? 12.988 10.210 -4.075 1.00 27.23 ? 17 ASP B OD1 1 ATOM 1800 O OD2 . ASP B 2 17 ? 13.126 10.653 -6.226 1.00 38.52 ? 17 ASP B OD2 1 ATOM 1801 N N . ARG B 2 18 ? 10.161 13.954 -3.627 1.00 10.14 ? 18 ARG B N 1 ATOM 1802 C CA . ARG B 2 18 ? 9.362 15.160 -3.785 1.00 11.93 ? 18 ARG B CA 1 ATOM 1803 C C . ARG B 2 18 ? 9.296 15.390 -5.312 1.00 17.87 ? 18 ARG B C 1 ATOM 1804 O O . ARG B 2 18 ? 10.336 15.364 -5.985 1.00 18.34 ? 18 ARG B O 1 ATOM 1805 C CB . ARG B 2 18 ? 10.028 16.342 -3.068 1.00 11.62 ? 18 ARG B CB 1 ATOM 1806 C CG . ARG B 2 18 ? 9.285 17.664 -3.285 1.00 15.67 ? 18 ARG B CG 1 ATOM 1807 C CD . ARG B 2 18 ? 9.941 18.763 -2.471 1.00 18.37 ? 18 ARG B CD 1 ATOM 1808 N NE . ARG B 2 18 ? 9.144 18.947 -1.273 1.00 37.45 ? 18 ARG B NE 1 ATOM 1809 C CZ . ARG B 2 18 ? 8.380 19.996 -1.046 1.00 34.49 ? 18 ARG B CZ 1 ATOM 1810 N NH1 . ARG B 2 18 ? 8.382 21.019 -1.891 1.00 26.71 ? 18 ARG B NH1 1 ATOM 1811 N NH2 . ARG B 2 18 ? 7.646 20.058 0.051 1.00 34.00 ? 18 ARG B NH2 1 ATOM 1812 N N . VAL B 2 19 ? 8.087 15.566 -5.869 1.00 12.50 ? 19 VAL B N 1 ATOM 1813 C CA . VAL B 2 19 ? 7.908 15.755 -7.323 1.00 10.70 ? 19 VAL B CA 1 ATOM 1814 C C . VAL B 2 19 ? 7.198 17.061 -7.528 1.00 12.49 ? 19 VAL B C 1 ATOM 1815 O O . VAL B 2 19 ? 6.248 17.334 -6.804 1.00 13.84 ? 19 VAL B O 1 ATOM 1816 C CB . VAL B 2 19 ? 7.057 14.590 -7.944 1.00 16.49 ? 19 VAL B CB 1 ATOM 1817 C CG1 . VAL B 2 19 ? 6.924 14.740 -9.468 1.00 16.67 ? 19 VAL B CG1 1 ATOM 1818 C CG2 . VAL B 2 19 ? 7.638 13.233 -7.601 1.00 16.62 ? 19 VAL B CG2 1 ATOM 1819 N N . SER B 2 20 ? 7.597 17.838 -8.555 1.00 9.49 ? 20 SER B N 1 ATOM 1820 C CA . SER B 2 20 ? 6.947 19.112 -8.887 1.00 10.00 ? 20 SER B CA 1 ATOM 1821 C C . SER B 2 20 ? 6.528 19.125 -10.335 1.00 14.67 ? 20 SER B C 1 ATOM 1822 O O . SER B 2 20 ? 7.334 18.811 -11.207 1.00 13.97 ? 20 SER B O 1 ATOM 1823 C CB . SER B 2 20 ? 7.872 20.291 -8.595 1.00 14.45 ? 20 SER B CB 1 ATOM 1824 O OG . SER B 2 20 ? 7.997 20.429 -7.189 1.00 26.56 ? 20 SER B OG 1 ATOM 1825 N N . ILE B 2 21 ? 5.258 19.469 -10.589 1.00 10.24 ? 21 ILE B N 1 ATOM 1826 C CA . ILE B 2 21 ? 4.685 19.574 -11.938 1.00 11.00 ? 21 ILE B CA 1 ATOM 1827 C C . ILE B 2 21 ? 4.296 21.021 -12.123 1.00 16.92 ? 21 ILE B C 1 ATOM 1828 O O . ILE B 2 21 ? 3.693 21.606 -11.213 1.00 15.68 ? 21 ILE B O 1 ATOM 1829 C CB . ILE B 2 21 ? 3.447 18.641 -12.111 1.00 14.11 ? 21 ILE B CB 1 ATOM 1830 C CG1 . ILE B 2 21 ? 3.794 17.183 -11.710 1.00 15.16 ? 21 ILE B CG1 1 ATOM 1831 C CG2 . ILE B 2 21 ? 2.885 18.744 -13.566 1.00 14.59 ? 21 ILE B CG2 1 ATOM 1832 C CD1 . ILE B 2 21 ? 2.664 16.138 -11.787 1.00 16.71 ? 21 ILE B CD1 1 ATOM 1833 N N . THR B 2 22 ? 4.679 21.636 -13.257 1.00 12.54 ? 22 THR B N 1 ATOM 1834 C CA . THR B 2 22 ? 4.332 23.043 -13.380 1.00 13.14 ? 22 THR B CA 1 ATOM 1835 C C . THR B 2 22 ? 3.414 23.329 -14.558 1.00 15.63 ? 22 THR B C 1 ATOM 1836 O O . THR B 2 22 ? 3.366 22.582 -15.539 1.00 12.92 ? 22 THR B O 1 ATOM 1837 C CB . THR B 2 22 ? 5.575 23.953 -13.394 1.00 23.01 ? 22 THR B CB 1 ATOM 1838 O OG1 . THR B 2 22 ? 6.261 23.732 -14.609 1.00 24.07 ? 22 THR B OG1 1 ATOM 1839 C CG2 . THR B 2 22 ? 6.513 23.722 -12.193 1.00 23.65 ? 22 THR B CG2 1 ATOM 1840 N N . CYS B 2 23 ? 2.756 24.465 -14.469 1.00 16.45 ? 23 CYS B N 1 ATOM 1841 C CA . CYS B 2 23 ? 1.830 24.893 -15.485 1.00 19.49 ? 23 CYS B CA 1 ATOM 1842 C C . CYS B 2 23 ? 1.895 26.422 -15.599 1.00 23.89 ? 23 CYS B C 1 ATOM 1843 O O . CYS B 2 23 ? 1.918 27.112 -14.569 1.00 24.83 ? 23 CYS B O 1 ATOM 1844 C CB . CYS B 2 23 ? 0.434 24.405 -15.099 1.00 21.26 ? 23 CYS B CB 1 ATOM 1845 S SG . CYS B 2 23 ? -0.776 24.570 -16.408 1.00 25.83 ? 23 CYS B SG 1 ATOM 1846 N N . LYS B 2 24 ? 1.912 26.958 -16.832 1.00 18.22 ? 24 LYS B N 1 ATOM 1847 C CA . LYS B 2 24 ? 1.973 28.408 -17.017 1.00 16.91 ? 24 LYS B CA 1 ATOM 1848 C C . LYS B 2 24 ? 0.766 28.924 -17.764 1.00 17.62 ? 24 LYS B C 1 ATOM 1849 O O . LYS B 2 24 ? 0.520 28.492 -18.881 1.00 18.30 ? 24 LYS B O 1 ATOM 1850 C CB . LYS B 2 24 ? 3.282 28.816 -17.731 1.00 19.59 ? 24 LYS B CB 1 ATOM 1851 C CG . LYS B 2 24 ? 3.441 30.339 -17.868 1.00 30.29 ? 24 LYS B CG 1 ATOM 1852 C CD . LYS B 2 24 ? 4.892 30.780 -18.103 1.00 34.87 ? 24 LYS B CD 1 ATOM 1853 C CE . LYS B 2 24 ? 5.029 32.290 -17.981 1.00 47.24 ? 24 LYS B CE 1 ATOM 1854 N NZ . LYS B 2 24 ? 4.696 32.798 -16.612 1.00 47.25 ? 24 LYS B NZ 1 ATOM 1855 N N . ALA B 2 25 ? 0.016 29.852 -17.170 1.00 14.51 ? 25 ALA B N 1 ATOM 1856 C CA . ALA B 2 25 ? -1.153 30.402 -17.867 1.00 13.38 ? 25 ALA B CA 1 ATOM 1857 C C . ALA B 2 25 ? -0.672 31.512 -18.816 1.00 17.87 ? 25 ALA B C 1 ATOM 1858 O O . ALA B 2 25 ? 0.224 32.266 -18.452 1.00 16.64 ? 25 ALA B O 1 ATOM 1859 C CB . ALA B 2 25 ? -2.171 30.951 -16.873 1.00 13.73 ? 25 ALA B CB 1 ATOM 1860 N N . SER B 2 26 ? -1.250 31.594 -20.023 1.00 15.65 ? 26 SER B N 1 ATOM 1861 C CA . SER B 2 26 ? -0.876 32.601 -21.021 1.00 15.21 ? 26 SER B CA 1 ATOM 1862 C C . SER B 2 26 ? -1.231 34.061 -20.623 1.00 20.67 ? 26 SER B C 1 ATOM 1863 O O . SER B 2 26 ? -0.659 35.006 -21.174 1.00 21.75 ? 26 SER B O 1 ATOM 1864 C CB . SER B 2 26 ? -1.473 32.242 -22.373 1.00 17.12 ? 26 SER B CB 1 ATOM 1865 O OG . SER B 2 26 ? -2.884 32.220 -22.278 1.00 19.44 ? 26 SER B OG 1 ATOM 1866 N N . GLN B 2 27 ? -2.173 34.239 -19.680 1.00 15.56 ? 27 GLN B N 1 ATOM 1867 C CA . GLN B 2 27 ? -2.641 35.529 -19.152 1.00 16.21 ? 27 GLN B CA 1 ATOM 1868 C C . GLN B 2 27 ? -2.933 35.301 -17.679 1.00 18.53 ? 27 GLN B C 1 ATOM 1869 O O . GLN B 2 27 ? -3.097 34.143 -17.260 1.00 16.36 ? 27 GLN B O 1 ATOM 1870 C CB . GLN B 2 27 ? -3.995 35.918 -19.787 1.00 18.23 ? 27 GLN B CB 1 ATOM 1871 C CG . GLN B 2 27 ? -3.985 36.294 -21.240 1.00 34.92 ? 27 GLN B CG 1 ATOM 1872 C CD . GLN B 2 27 ? -5.376 36.636 -21.712 1.00 24.99 ? 27 GLN B CD 1 ATOM 1873 O OE1 . GLN B 2 27 ? -6.187 37.275 -21.021 1.00 24.62 ? 27 GLN B OE1 1 ATOM 1874 N NE2 . GLN B 2 27 ? -5.664 36.253 -22.912 1.00 31.16 ? 27 GLN B NE2 1 ATOM 1875 N N . ASN B 2 28 ? -3.084 36.381 -16.913 1.00 14.25 ? 28 ASN B N 1 ATOM 1876 C CA . ASN B 2 28 ? -3.444 36.240 -15.517 1.00 14.42 ? 28 ASN B CA 1 ATOM 1877 C C . ASN B 2 28 ? -4.874 35.651 -15.385 1.00 17.80 ? 28 ASN B C 1 ATOM 1878 O O . ASN B 2 28 ? -5.824 36.110 -16.034 1.00 16.85 ? 28 ASN B O 1 ATOM 1879 C CB . ASN B 2 28 ? -3.318 37.565 -14.772 1.00 16.91 ? 28 ASN B CB 1 ATOM 1880 C CG . ASN B 2 28 ? -3.275 37.347 -13.284 1.00 23.17 ? 28 ASN B CG 1 ATOM 1881 O OD1 . ASN B 2 28 ? -4.290 37.093 -12.661 1.00 11.71 ? 28 ASN B OD1 1 ATOM 1882 N ND2 . ASN B 2 28 ? -2.075 37.263 -12.702 1.00 22.67 ? 28 ASN B ND2 1 ATOM 1883 N N . VAL B 2 29 ? -4.995 34.595 -14.575 1.00 12.12 ? 29 VAL B N 1 ATOM 1884 C CA . VAL B 2 29 ? -6.266 33.898 -14.308 1.00 10.70 ? 29 VAL B CA 1 ATOM 1885 C C . VAL B 2 29 ? -6.574 33.938 -12.813 1.00 13.34 ? 29 VAL B C 1 ATOM 1886 O O . VAL B 2 29 ? -7.383 33.137 -12.316 1.00 14.03 ? 29 VAL B O 1 ATOM 1887 C CB . VAL B 2 29 ? -6.261 32.450 -14.876 1.00 13.20 ? 29 VAL B CB 1 ATOM 1888 C CG1 . VAL B 2 29 ? -6.254 32.470 -16.388 1.00 13.95 ? 29 VAL B CG1 1 ATOM 1889 C CG2 . VAL B 2 29 ? -5.087 31.610 -14.328 1.00 13.53 ? 29 VAL B CG2 1 ATOM 1890 N N . GLY B 2 30 ? -5.914 34.860 -12.099 1.00 9.64 ? 30 GLY B N 1 ATOM 1891 C CA . GLY B 2 30 ? -5.994 34.929 -10.649 1.00 9.75 ? 30 GLY B CA 1 ATOM 1892 C C . GLY B 2 30 ? -5.501 33.605 -10.092 1.00 14.32 ? 30 GLY B C 1 ATOM 1893 O O . GLY B 2 30 ? -4.477 33.084 -10.539 1.00 15.85 ? 30 GLY B O 1 ATOM 1894 N N . SER B 2 31 ? -6.311 32.975 -9.242 1.00 10.67 ? 31 SER B N 1 ATOM 1895 C CA . SER B 2 31 ? -6.050 31.650 -8.653 1.00 9.31 ? 31 SER B CA 1 ATOM 1896 C C . SER B 2 31 ? -7.028 30.596 -9.177 1.00 13.52 ? 31 SER B C 1 ATOM 1897 O O . SER B 2 31 ? -7.172 29.552 -8.554 1.00 12.78 ? 31 SER B O 1 ATOM 1898 C CB . SER B 2 31 ? -6.204 31.726 -7.135 1.00 14.56 ? 31 SER B CB 1 ATOM 1899 O OG . SER B 2 31 ? -5.356 32.704 -6.565 1.00 20.57 ? 31 SER B OG 1 ATOM 1900 N N . ALA B 2 32 ? -7.734 30.873 -10.272 1.00 11.42 ? 32 ALA B N 1 ATOM 1901 C CA . ALA B 2 32 ? -8.765 29.982 -10.824 1.00 10.50 ? 32 ALA B CA 1 ATOM 1902 C C . ALA B 2 32 ? -8.163 28.830 -11.638 1.00 12.53 ? 32 ALA B C 1 ATOM 1903 O O . ALA B 2 32 ? -8.367 28.686 -12.848 1.00 8.94 ? 32 ALA B O 1 ATOM 1904 C CB . ALA B 2 32 ? -9.785 30.789 -11.619 1.00 11.12 ? 32 ALA B CB 1 ATOM 1905 N N . VAL B 2 33 ? -7.404 27.985 -10.919 1.00 8.21 ? 33 VAL B N 1 ATOM 1906 C CA . VAL B 2 33 ? -6.678 26.867 -11.505 1.00 7.98 ? 33 VAL B CA 1 ATOM 1907 C C . VAL B 2 33 ? -6.944 25.632 -10.678 1.00 12.22 ? 33 VAL B C 1 ATOM 1908 O O . VAL B 2 33 ? -6.945 25.696 -9.435 1.00 9.80 ? 33 VAL B O 1 ATOM 1909 C CB . VAL B 2 33 ? -5.147 27.192 -11.647 1.00 11.58 ? 33 VAL B CB 1 ATOM 1910 C CG1 . VAL B 2 33 ? -4.306 25.950 -11.991 1.00 12.03 ? 33 VAL B CG1 1 ATOM 1911 C CG2 . VAL B 2 33 ? -4.917 28.298 -12.686 1.00 10.54 ? 33 VAL B CG2 1 ATOM 1912 N N . ALA B 2 34 ? -7.208 24.528 -11.385 1.00 8.82 ? 34 ALA B N 1 ATOM 1913 C CA . ALA B 2 34 ? -7.433 23.222 -10.795 1.00 7.74 ? 34 ALA B CA 1 ATOM 1914 C C . ALA B 2 34 ? -6.369 22.238 -11.270 1.00 11.47 ? 34 ALA B C 1 ATOM 1915 O O . ALA B 2 34 ? -5.804 22.381 -12.370 1.00 9.97 ? 34 ALA B O 1 ATOM 1916 C CB . ALA B 2 34 ? -8.806 22.693 -11.200 1.00 7.64 ? 34 ALA B CB 1 ATOM 1917 N N . TRP B 2 35 ? -6.126 21.224 -10.447 1.00 8.05 ? 35 TRP B N 1 ATOM 1918 C CA . TRP B 2 35 ? -5.275 20.085 -10.798 1.00 7.26 ? 35 TRP B CA 1 ATOM 1919 C C . TRP B 2 35 ? -6.153 18.839 -10.707 1.00 8.58 ? 35 TRP B C 1 ATOM 1920 O O . TRP B 2 35 ? -6.904 18.684 -9.734 1.00 7.79 ? 35 TRP B O 1 ATOM 1921 C CB . TRP B 2 35 ? -4.078 19.956 -9.863 1.00 6.31 ? 35 TRP B CB 1 ATOM 1922 C CG . TRP B 2 35 ? -3.025 20.998 -10.102 1.00 7.13 ? 35 TRP B CG 1 ATOM 1923 C CD1 . TRP B 2 35 ? -2.866 22.175 -9.428 1.00 9.80 ? 35 TRP B CD1 1 ATOM 1924 C CD2 . TRP B 2 35 ? -2.013 20.970 -11.115 1.00 7.19 ? 35 TRP B CD2 1 ATOM 1925 N NE1 . TRP B 2 35 ? -1.791 22.874 -9.939 1.00 9.45 ? 35 TRP B NE1 1 ATOM 1926 C CE2 . TRP B 2 35 ? -1.238 22.145 -10.965 1.00 11.20 ? 35 TRP B CE2 1 ATOM 1927 C CE3 . TRP B 2 35 ? -1.624 20.020 -12.079 1.00 8.73 ? 35 TRP B CE3 1 ATOM 1928 C CZ2 . TRP B 2 35 ? -0.111 22.402 -11.754 1.00 10.63 ? 35 TRP B CZ2 1 ATOM 1929 C CZ3 . TRP B 2 35 ? -0.499 20.275 -12.853 1.00 10.70 ? 35 TRP B CZ3 1 ATOM 1930 C CH2 . TRP B 2 35 ? 0.254 21.440 -12.669 1.00 11.25 ? 35 TRP B CH2 1 ATOM 1931 N N . TYR B 2 36 ? -6.029 17.956 -11.694 1.00 6.06 ? 36 TYR B N 1 ATOM 1932 C CA . TYR B 2 36 ? -6.751 16.674 -11.777 1.00 6.69 ? 36 TYR B CA 1 ATOM 1933 C C . TYR B 2 36 ? -5.759 15.521 -11.864 1.00 10.80 ? 36 TYR B C 1 ATOM 1934 O O . TYR B 2 36 ? -4.717 15.644 -12.503 1.00 10.15 ? 36 TYR B O 1 ATOM 1935 C CB . TYR B 2 36 ? -7.684 16.618 -13.007 1.00 6.99 ? 36 TYR B CB 1 ATOM 1936 C CG . TYR B 2 36 ? -8.709 17.731 -13.050 1.00 9.35 ? 36 TYR B CG 1 ATOM 1937 C CD1 . TYR B 2 36 ? -9.951 17.588 -12.431 1.00 10.63 ? 36 TYR B CD1 1 ATOM 1938 C CD2 . TYR B 2 36 ? -8.418 18.950 -13.660 1.00 10.18 ? 36 TYR B CD2 1 ATOM 1939 C CE1 . TYR B 2 36 ? -10.882 18.621 -12.429 1.00 11.42 ? 36 TYR B CE1 1 ATOM 1940 C CE2 . TYR B 2 36 ? -9.345 19.998 -13.662 1.00 11.41 ? 36 TYR B CE2 1 ATOM 1941 C CZ . TYR B 2 36 ? -10.576 19.825 -13.046 1.00 12.27 ? 36 TYR B CZ 1 ATOM 1942 O OH . TYR B 2 36 ? -11.498 20.843 -13.020 1.00 10.52 ? 36 TYR B OH 1 ATOM 1943 N N . GLN B 2 37 ? -6.104 14.399 -11.251 1.00 7.77 ? 37 GLN B N 1 ATOM 1944 C CA . GLN B 2 37 ? -5.317 13.168 -11.332 1.00 8.06 ? 37 GLN B CA 1 ATOM 1945 C C . GLN B 2 37 ? -6.149 12.165 -12.123 1.00 12.91 ? 37 GLN B C 1 ATOM 1946 O O . GLN B 2 37 ? -7.353 12.054 -11.909 1.00 12.12 ? 37 GLN B O 1 ATOM 1947 C CB . GLN B 2 37 ? -5.033 12.609 -9.926 1.00 9.36 ? 37 GLN B CB 1 ATOM 1948 C CG . GLN B 2 37 ? -4.193 11.303 -9.907 1.00 8.84 ? 37 GLN B CG 1 ATOM 1949 C CD . GLN B 2 37 ? -4.274 10.645 -8.549 1.00 19.87 ? 37 GLN B CD 1 ATOM 1950 O OE1 . GLN B 2 37 ? -5.352 10.265 -8.056 1.00 14.77 ? 37 GLN B OE1 1 ATOM 1951 N NE2 . GLN B 2 37 ? -3.163 10.570 -7.877 1.00 13.39 ? 37 GLN B NE2 1 ATOM 1952 N N . GLN B 2 38 ? -5.511 11.420 -13.009 1.00 10.87 ? 38 GLN B N 1 ATOM 1953 C CA . GLN B 2 38 ? -6.210 10.385 -13.753 1.00 10.65 ? 38 GLN B CA 1 ATOM 1954 C C . GLN B 2 38 ? -5.359 9.131 -13.856 1.00 13.11 ? 38 GLN B C 1 ATOM 1955 O O . GLN B 2 38 ? -4.195 9.216 -14.266 1.00 11.50 ? 38 GLN B O 1 ATOM 1956 C CB . GLN B 2 38 ? -6.563 10.884 -15.166 1.00 10.65 ? 38 GLN B CB 1 ATOM 1957 C CG . GLN B 2 38 ? -7.520 9.928 -15.892 1.00 10.24 ? 38 GLN B CG 1 ATOM 1958 C CD . GLN B 2 38 ? -7.695 10.269 -17.354 1.00 17.85 ? 38 GLN B CD 1 ATOM 1959 O OE1 . GLN B 2 38 ? -6.832 10.852 -17.990 1.00 17.03 ? 38 GLN B OE1 1 ATOM 1960 N NE2 . GLN B 2 38 ? -8.809 9.892 -17.915 1.00 10.50 ? 38 GLN B NE2 1 ATOM 1961 N N . LYS B 2 39 ? -5.969 7.972 -13.563 1.00 10.70 ? 39 LYS B N 1 ATOM 1962 C CA . LYS B 2 39 ? -5.339 6.661 -13.741 1.00 12.87 ? 39 LYS B CA 1 ATOM 1963 C C . LYS B 2 39 ? -5.961 5.992 -15.010 1.00 19.67 ? 39 LYS B C 1 ATOM 1964 O O . LYS B 2 39 ? -7.110 6.320 -15.347 1.00 16.40 ? 39 LYS B O 1 ATOM 1965 C CB . LYS B 2 39 ? -5.511 5.802 -12.484 1.00 16.15 ? 39 LYS B CB 1 ATOM 1966 C CG . LYS B 2 39 ? -4.642 6.344 -11.347 1.00 18.88 ? 39 LYS B CG 1 ATOM 1967 C CD . LYS B 2 39 ? -4.969 5.727 -10.065 1.00 22.33 ? 39 LYS B CD 1 ATOM 1968 C CE . LYS B 2 39 ? -4.177 6.375 -8.976 1.00 23.08 ? 39 LYS B CE 1 ATOM 1969 N NZ . LYS B 2 39 ? -4.195 5.520 -7.766 1.00 33.58 ? 39 LYS B NZ 1 ATOM 1970 N N . PRO B 2 40 ? -5.214 5.123 -15.746 1.00 21.54 ? 40 PRO B N 1 ATOM 1971 C CA . PRO B 2 40 ? -5.760 4.543 -17.002 1.00 22.25 ? 40 PRO B CA 1 ATOM 1972 C C . PRO B 2 40 ? -7.134 3.895 -16.879 1.00 23.20 ? 40 PRO B C 1 ATOM 1973 O O . PRO B 2 40 ? -7.397 3.178 -15.921 1.00 21.18 ? 40 PRO B O 1 ATOM 1974 C CB . PRO B 2 40 ? -4.681 3.532 -17.434 1.00 24.93 ? 40 PRO B CB 1 ATOM 1975 C CG . PRO B 2 40 ? -3.420 4.013 -16.787 1.00 29.19 ? 40 PRO B CG 1 ATOM 1976 C CD . PRO B 2 40 ? -3.839 4.629 -15.481 1.00 24.02 ? 40 PRO B CD 1 ATOM 1977 N N . GLY B 2 41 ? -8.010 4.223 -17.817 1.00 22.24 ? 41 GLY B N 1 ATOM 1978 C CA . GLY B 2 41 ? -9.387 3.724 -17.856 1.00 22.56 ? 41 GLY B CA 1 ATOM 1979 C C . GLY B 2 41 ? -10.340 4.298 -16.817 1.00 25.19 ? 41 GLY B C 1 ATOM 1980 O O . GLY B 2 41 ? -11.500 3.887 -16.767 1.00 26.51 ? 41 GLY B O 1 ATOM 1981 N N . GLN B 2 42 ? -9.873 5.252 -15.973 1.00 17.81 ? 42 GLN B N 1 ATOM 1982 C CA . GLN B 2 42 ? -10.707 5.898 -14.959 1.00 15.74 ? 42 GLN B CA 1 ATOM 1983 C C . GLN B 2 42 ? -10.980 7.326 -15.376 1.00 17.37 ? 42 GLN B C 1 ATOM 1984 O O . GLN B 2 42 ? -10.249 7.871 -16.199 1.00 16.66 ? 42 GLN B O 1 ATOM 1985 C CB . GLN B 2 42 ? -9.998 5.940 -13.592 1.00 15.57 ? 42 GLN B CB 1 ATOM 1986 C CG . GLN B 2 42 ? -9.795 4.600 -12.858 1.00 23.47 ? 42 GLN B CG 1 ATOM 1987 C CD . GLN B 2 42 ? -9.178 4.800 -11.468 1.00 39.36 ? 42 GLN B CD 1 ATOM 1988 O OE1 . GLN B 2 42 ? -9.143 5.913 -10.918 1.00 31.23 ? 42 GLN B OE1 1 ATOM 1989 N NE2 . GLN B 2 42 ? -8.662 3.728 -10.860 1.00 27.16 ? 42 GLN B NE2 1 ATOM 1990 N N . SER B 2 43 ? -11.966 7.968 -14.729 1.00 14.13 ? 43 SER B N 1 ATOM 1991 C CA . SER B 2 43 ? -12.273 9.385 -14.969 1.00 13.64 ? 43 SER B CA 1 ATOM 1992 C C . SER B 2 43 ? -11.205 10.200 -14.239 1.00 13.65 ? 43 SER B C 1 ATOM 1993 O O . SER B 2 43 ? -10.727 9.755 -13.188 1.00 11.98 ? 43 SER B O 1 ATOM 1994 C CB . SER B 2 43 ? -13.608 9.757 -14.323 1.00 16.14 ? 43 SER B CB 1 ATOM 1995 O OG . SER B 2 43 ? -14.660 8.922 -14.763 1.00 31.22 ? 43 SER B OG 1 ATOM 1996 N N . PRO B 2 44 ? -10.926 11.440 -14.682 1.00 11.39 ? 44 PRO B N 1 ATOM 1997 C CA . PRO B 2 44 ? -10.054 12.324 -13.883 1.00 9.64 ? 44 PRO B CA 1 ATOM 1998 C C . PRO B 2 44 ? -10.732 12.658 -12.554 1.00 14.61 ? 44 PRO B C 1 ATOM 1999 O O . PRO B 2 44 ? -11.985 12.681 -12.463 1.00 14.75 ? 44 PRO B O 1 ATOM 2000 C CB . PRO B 2 44 ? -9.957 13.598 -14.739 1.00 10.86 ? 44 PRO B CB 1 ATOM 2001 C CG . PRO B 2 44 ? -10.259 13.098 -16.163 1.00 15.92 ? 44 PRO B CG 1 ATOM 2002 C CD . PRO B 2 44 ? -11.384 12.122 -15.901 1.00 12.55 ? 44 PRO B CD 1 ATOM 2003 N N . LYS B 2 45 ? -9.914 12.862 -11.512 1.00 10.73 ? 45 LYS B N 1 ATOM 2004 C CA . LYS B 2 45 ? -10.410 13.238 -10.180 1.00 11.03 ? 45 LYS B CA 1 ATOM 2005 C C . LYS B 2 45 ? -9.847 14.603 -9.836 1.00 11.28 ? 45 LYS B C 1 ATOM 2006 O O . LYS B 2 45 ? -8.649 14.836 -10.015 1.00 10.30 ? 45 LYS B O 1 ATOM 2007 C CB . LYS B 2 45 ? -9.976 12.224 -9.099 1.00 13.81 ? 45 LYS B CB 1 ATOM 2008 C CG . LYS B 2 45 ? -10.665 10.851 -9.203 1.00 20.35 ? 45 LYS B CG 1 ATOM 2009 C CD . LYS B 2 45 ? -10.218 9.981 -8.036 1.00 25.00 ? 45 LYS B CD 1 ATOM 2010 C CE . LYS B 2 45 ? -10.918 8.642 -7.994 1.00 39.07 ? 45 LYS B CE 1 ATOM 2011 N NZ . LYS B 2 45 ? -10.256 7.720 -7.038 1.00 50.49 ? 45 LYS B NZ 1 ATOM 2012 N N . LEU B 2 46 ? -10.690 15.482 -9.302 1.00 8.43 ? 46 LEU B N 1 ATOM 2013 C CA . LEU B 2 46 ? -10.271 16.813 -8.846 1.00 7.63 ? 46 LEU B CA 1 ATOM 2014 C C . LEU B 2 46 ? -9.368 16.702 -7.606 1.00 10.41 ? 46 LEU B C 1 ATOM 2015 O O . LEU B 2 46 ? -9.780 16.124 -6.575 1.00 10.08 ? 46 LEU B O 1 ATOM 2016 C CB . LEU B 2 46 ? -11.509 17.671 -8.499 1.00 7.55 ? 46 LEU B CB 1 ATOM 2017 C CG . LEU B 2 46 ? -11.227 19.086 -7.985 1.00 10.16 ? 46 LEU B CG 1 ATOM 2018 C CD1 . LEU B 2 46 ? -10.406 19.901 -8.998 1.00 10.41 ? 46 LEU B CD1 1 ATOM 2019 C CD2 . LEU B 2 46 ? -12.532 19.815 -7.650 1.00 9.14 ? 46 LEU B CD2 1 ATOM 2020 N N . LEU B 2 47 ? -8.146 17.242 -7.701 1.00 7.89 ? 47 LEU B N 1 ATOM 2021 C CA . LEU B 2 47 ? -7.204 17.236 -6.548 1.00 8.61 ? 47 LEU B CA 1 ATOM 2022 C C . LEU B 2 47 ? -7.196 18.555 -5.840 1.00 10.53 ? 47 LEU B C 1 ATOM 2023 O O . LEU B 2 47 ? -7.317 18.615 -4.612 1.00 9.93 ? 47 LEU B O 1 ATOM 2024 C CB . LEU B 2 47 ? -5.726 16.940 -6.961 1.00 9.03 ? 47 LEU B CB 1 ATOM 2025 C CG . LEU B 2 47 ? -5.312 15.540 -7.371 1.00 15.99 ? 47 LEU B CG 1 ATOM 2026 C CD1 . LEU B 2 47 ? -3.840 15.533 -7.724 1.00 17.54 ? 47 LEU B CD1 1 ATOM 2027 C CD2 . LEU B 2 47 ? -5.618 14.502 -6.296 1.00 17.67 ? 47 LEU B CD2 1 ATOM 2028 N N . ILE B 2 48 ? -6.928 19.615 -6.617 1.00 8.22 ? 48 ILE B N 1 ATOM 2029 C CA . ILE B 2 48 ? -6.770 20.994 -6.124 1.00 8.02 ? 48 ILE B CA 1 ATOM 2030 C C . ILE B 2 48 ? -7.708 21.920 -6.857 1.00 10.09 ? 48 ILE B C 1 ATOM 2031 O O . ILE B 2 48 ? -7.837 21.792 -8.087 1.00 10.86 ? 48 ILE B O 1 ATOM 2032 C CB . ILE B 2 48 ? -5.294 21.468 -6.396 1.00 9.96 ? 48 ILE B CB 1 ATOM 2033 C CG1 . ILE B 2 48 ? -4.211 20.549 -5.750 1.00 11.82 ? 48 ILE B CG1 1 ATOM 2034 C CG2 . ILE B 2 48 ? -5.071 22.948 -5.988 1.00 9.46 ? 48 ILE B CG2 1 ATOM 2035 C CD1 . ILE B 2 48 ? -4.151 20.503 -4.197 1.00 7.53 ? 48 ILE B CD1 1 ATOM 2036 N N . TYR B 2 49 ? -8.269 22.912 -6.146 1.00 6.10 ? 49 TYR B N 1 ATOM 2037 C CA . TYR B 2 49 ? -9.056 24.001 -6.748 1.00 6.83 ? 49 TYR B CA 1 ATOM 2038 C C . TYR B 2 49 ? -8.565 25.303 -6.131 1.00 10.05 ? 49 TYR B C 1 ATOM 2039 O O . TYR B 2 49 ? -7.828 25.273 -5.117 1.00 9.71 ? 49 TYR B O 1 ATOM 2040 C CB . TYR B 2 49 ? -10.593 23.799 -6.620 1.00 8.90 ? 49 TYR B CB 1 ATOM 2041 C CG . TYR B 2 49 ? -11.085 23.863 -5.193 1.00 12.49 ? 49 TYR B CG 1 ATOM 2042 C CD1 . TYR B 2 49 ? -11.034 22.745 -4.367 1.00 13.88 ? 49 TYR B CD1 1 ATOM 2043 C CD2 . TYR B 2 49 ? -11.526 25.064 -4.641 1.00 13.90 ? 49 TYR B CD2 1 ATOM 2044 C CE1 . TYR B 2 49 ? -11.396 22.821 -3.030 1.00 15.35 ? 49 TYR B CE1 1 ATOM 2045 C CE2 . TYR B 2 49 ? -11.879 25.152 -3.301 1.00 15.50 ? 49 TYR B CE2 1 ATOM 2046 C CZ . TYR B 2 49 ? -11.839 24.022 -2.505 1.00 21.63 ? 49 TYR B CZ 1 ATOM 2047 O OH . TYR B 2 49 ? -12.205 24.107 -1.181 1.00 24.51 ? 49 TYR B OH 1 ATOM 2048 N N . SER B 2 50 ? -8.858 26.450 -6.801 1.00 9.89 ? 50 SER B N 1 ATOM 2049 C CA . SER B 2 50 ? -8.377 27.788 -6.389 1.00 9.51 ? 50 SER B CA 1 ATOM 2050 C C . SER B 2 50 ? -6.844 27.741 -6.201 1.00 10.97 ? 50 SER B C 1 ATOM 2051 O O . SER B 2 50 ? -6.338 28.295 -5.234 1.00 9.83 ? 50 SER B O 1 ATOM 2052 C CB . SER B 2 50 ? -9.044 28.274 -5.097 1.00 13.95 ? 50 SER B CB 1 ATOM 2053 O OG . SER B 2 50 ? -10.458 28.224 -5.115 1.00 20.92 ? 50 SER B OG 1 ATOM 2054 N N . ALA B 2 51 ? -6.118 27.042 -7.104 1.00 7.33 ? 51 ALA B N 1 ATOM 2055 C CA . ALA B 2 51 ? -4.636 26.877 -7.129 1.00 8.12 ? 51 ALA B CA 1 ATOM 2056 C C . ALA B 2 51 ? -3.991 26.124 -5.926 1.00 12.26 ? 51 ALA B C 1 ATOM 2057 O O . ALA B 2 51 ? -3.000 25.432 -6.145 1.00 10.54 ? 51 ALA B O 1 ATOM 2058 C CB . ALA B 2 51 ? -3.947 28.238 -7.316 1.00 9.29 ? 51 ALA B CB 1 ATOM 2059 N N . SER B 2 52 ? -4.524 26.255 -4.683 1.00 10.05 ? 52 SER B N 1 ATOM 2060 C CA . SER B 2 52 ? -3.900 25.718 -3.472 1.00 10.88 ? 52 SER B CA 1 ATOM 2061 C C . SER B 2 52 ? -4.828 24.983 -2.495 1.00 14.77 ? 52 SER B C 1 ATOM 2062 O O . SER B 2 52 ? -4.374 24.531 -1.437 1.00 14.95 ? 52 SER B O 1 ATOM 2063 C CB . SER B 2 52 ? -3.196 26.870 -2.731 1.00 15.66 ? 52 SER B CB 1 ATOM 2064 O OG . SER B 2 52 ? -4.108 27.890 -2.335 1.00 16.70 ? 52 SER B OG 1 ATOM 2065 N N . ASN B 2 53 ? -6.108 24.891 -2.796 1.00 9.86 ? 53 ASN B N 1 ATOM 2066 C CA . ASN B 2 53 ? -7.050 24.209 -1.904 1.00 9.48 ? 53 ASN B CA 1 ATOM 2067 C C . ASN B 2 53 ? -7.205 22.761 -2.281 1.00 12.44 ? 53 ASN B C 1 ATOM 2068 O O . ASN B 2 53 ? -7.563 22.439 -3.415 1.00 11.53 ? 53 ASN B O 1 ATOM 2069 C CB . ASN B 2 53 ? -8.430 24.908 -1.902 1.00 6.63 ? 53 ASN B CB 1 ATOM 2070 C CG . ASN B 2 53 ? -8.359 26.270 -1.296 1.00 23.68 ? 53 ASN B CG 1 ATOM 2071 O OD1 . ASN B 2 53 ? -7.420 26.586 -0.572 1.00 19.09 ? 53 ASN B OD1 1 ATOM 2072 N ND2 . ASN B 2 53 ? -9.392 27.057 -1.478 1.00 20.47 ? 53 ASN B ND2 1 ATOM 2073 N N . ARG B 2 54 ? -6.974 21.893 -1.319 1.00 10.47 ? 54 ARG B N 1 ATOM 2074 C CA . ARG B 2 54 ? -7.167 20.458 -1.518 1.00 10.15 ? 54 ARG B CA 1 ATOM 2075 C C . ARG B 2 54 ? -8.655 20.145 -1.534 1.00 13.18 ? 54 ARG B C 1 ATOM 2076 O O . ARG B 2 54 ? -9.386 20.588 -0.651 1.00 12.08 ? 54 ARG B O 1 ATOM 2077 C CB . ARG B 2 54 ? -6.508 19.669 -0.397 1.00 9.30 ? 54 ARG B CB 1 ATOM 2078 C CG . ARG B 2 54 ? -5.015 19.523 -0.540 1.00 16.65 ? 54 ARG B CG 1 ATOM 2079 C CD . ARG B 2 54 ? -4.460 18.966 0.771 1.00 19.11 ? 54 ARG B CD 1 ATOM 2080 N NE . ARG B 2 54 ? -3.030 19.210 0.815 1.00 27.68 ? 54 ARG B NE 1 ATOM 2081 C CZ . ARG B 2 54 ? -2.440 20.184 1.486 1.00 25.36 ? 54 ARG B CZ 1 ATOM 2082 N NH1 . ARG B 2 54 ? -3.145 20.968 2.293 1.00 29.90 ? 54 ARG B NH1 1 ATOM 2083 N NH2 . ARG B 2 54 ? -1.134 20.329 1.427 1.00 21.64 ? 54 ARG B NH2 1 ATOM 2084 N N . TYR B 2 55 ? -9.105 19.383 -2.544 1.00 10.03 ? 55 TYR B N 1 ATOM 2085 C CA . TYR B 2 55 ? -10.503 18.939 -2.654 1.00 9.26 ? 55 TYR B CA 1 ATOM 2086 C C . TYR B 2 55 ? -10.770 17.840 -1.584 1.00 13.97 ? 55 TYR B C 1 ATOM 2087 O O . TYR B 2 55 ? -9.841 17.367 -0.918 1.00 10.34 ? 55 TYR B O 1 ATOM 2088 C CB . TYR B 2 55 ? -10.816 18.484 -4.114 1.00 9.54 ? 55 TYR B CB 1 ATOM 2089 C CG . TYR B 2 55 ? -12.266 18.108 -4.364 1.00 12.31 ? 55 TYR B CG 1 ATOM 2090 C CD1 . TYR B 2 55 ? -13.300 19.024 -4.129 1.00 14.96 ? 55 TYR B CD1 1 ATOM 2091 C CD2 . TYR B 2 55 ? -12.613 16.825 -4.776 1.00 13.42 ? 55 TYR B CD2 1 ATOM 2092 C CE1 . TYR B 2 55 ? -14.638 18.675 -4.325 1.00 12.62 ? 55 TYR B CE1 1 ATOM 2093 C CE2 . TYR B 2 55 ? -13.949 16.468 -4.979 1.00 14.82 ? 55 TYR B CE2 1 ATOM 2094 C CZ . TYR B 2 55 ? -14.955 17.396 -4.742 1.00 16.06 ? 55 TYR B CZ 1 ATOM 2095 O OH . TYR B 2 55 ? -16.267 17.045 -4.906 1.00 18.49 ? 55 TYR B OH 1 ATOM 2096 N N . THR B 2 56 ? -12.044 17.479 -1.384 1.00 14.68 ? 56 THR B N 1 ATOM 2097 C CA . THR B 2 56 ? -12.486 16.504 -0.367 1.00 15.75 ? 56 THR B CA 1 ATOM 2098 C C . THR B 2 56 ? -11.685 15.215 -0.431 1.00 17.06 ? 56 THR B C 1 ATOM 2099 O O . THR B 2 56 ? -11.627 14.607 -1.485 1.00 15.91 ? 56 THR B O 1 ATOM 2100 C CB . THR B 2 56 ? -13.997 16.135 -0.574 1.00 22.34 ? 56 THR B CB 1 ATOM 2101 O OG1 . THR B 2 56 ? -14.771 17.315 -0.800 1.00 20.83 ? 56 THR B OG1 1 ATOM 2102 C CG2 . THR B 2 56 ? -14.572 15.317 0.598 1.00 25.60 ? 56 THR B CG2 1 ATOM 2103 N N . GLY B 2 57 ? -11.129 14.797 0.708 1.00 15.58 ? 57 GLY B N 1 ATOM 2104 C CA . GLY B 2 57 ? -10.401 13.535 0.834 1.00 15.50 ? 57 GLY B CA 1 ATOM 2105 C C . GLY B 2 57 ? -9.027 13.495 0.183 1.00 17.58 ? 57 GLY B C 1 ATOM 2106 O O . GLY B 2 57 ? -8.366 12.455 0.202 1.00 19.14 ? 57 GLY B O 1 ATOM 2107 N N . VAL B 2 58 ? -8.571 14.605 -0.394 1.00 10.72 ? 58 VAL B N 1 ATOM 2108 C CA . VAL B 2 58 ? -7.233 14.638 -1.009 1.00 10.14 ? 58 VAL B CA 1 ATOM 2109 C C . VAL B 2 58 ? -6.168 14.650 0.132 1.00 12.42 ? 58 VAL B C 1 ATOM 2110 O O . VAL B 2 58 ? -6.255 15.508 1.017 1.00 12.03 ? 58 VAL B O 1 ATOM 2111 C CB . VAL B 2 58 ? -7.090 15.830 -1.994 1.00 12.96 ? 58 VAL B CB 1 ATOM 2112 C CG1 . VAL B 2 58 ? -5.650 15.984 -2.496 1.00 12.67 ? 58 VAL B CG1 1 ATOM 2113 C CG2 . VAL B 2 58 ? -8.050 15.658 -3.171 1.00 12.46 ? 58 VAL B CG2 1 ATOM 2114 N N . PRO B 2 59 ? -5.179 13.729 0.122 1.00 11.86 ? 59 PRO B N 1 ATOM 2115 C CA . PRO B 2 59 ? -4.162 13.726 1.205 1.00 12.18 ? 59 PRO B CA 1 ATOM 2116 C C . PRO B 2 59 ? -3.226 14.948 1.245 1.00 13.62 ? 59 PRO B C 1 ATOM 2117 O O . PRO B 2 59 ? -3.025 15.644 0.241 1.00 11.64 ? 59 PRO B O 1 ATOM 2118 C CB . PRO B 2 59 ? -3.393 12.420 0.988 1.00 14.00 ? 59 PRO B CB 1 ATOM 2119 C CG . PRO B 2 59 ? -3.646 12.029 -0.398 1.00 18.83 ? 59 PRO B CG 1 ATOM 2120 C CD . PRO B 2 59 ? -4.983 12.600 -0.817 1.00 13.92 ? 59 PRO B CD 1 ATOM 2121 N N . ASP B 2 60 ? -2.647 15.217 2.434 1.00 11.00 ? 60 ASP B N 1 ATOM 2122 C CA . ASP B 2 60 ? -1.748 16.367 2.675 1.00 10.87 ? 60 ASP B CA 1 ATOM 2123 C C . ASP B 2 60 ? -0.560 16.492 1.707 1.00 12.51 ? 60 ASP B C 1 ATOM 2124 O O . ASP B 2 60 ? -0.074 17.612 1.458 1.00 12.54 ? 60 ASP B O 1 ATOM 2125 C CB . ASP B 2 60 ? -1.162 16.302 4.101 1.00 11.93 ? 60 ASP B CB 1 ATOM 2126 C CG . ASP B 2 60 ? -2.112 16.641 5.230 1.00 22.38 ? 60 ASP B CG 1 ATOM 2127 O OD1 . ASP B 2 60 ? -3.273 17.041 4.941 1.00 20.56 ? 60 ASP B OD1 1 ATOM 2128 O OD2 . ASP B 2 60 ? -1.690 16.540 6.404 1.00 25.92 ? 60 ASP B OD2 1 ATOM 2129 N N . ARG B 2 61 ? -0.071 15.357 1.189 1.00 10.12 ? 61 ARG B N 1 ATOM 2130 C CA . ARG B 2 61 ? 1.112 15.339 0.330 1.00 9.88 ? 61 ARG B CA 1 ATOM 2131 C C . ARG B 2 61 ? 0.935 16.087 -0.998 1.00 12.85 ? 61 ARG B C 1 ATOM 2132 O O . ARG B 2 61 ? 1.937 16.473 -1.606 1.00 11.17 ? 61 ARG B O 1 ATOM 2133 C CB . ARG B 2 61 ? 1.626 13.917 0.090 1.00 10.55 ? 61 ARG B CB 1 ATOM 2134 C CG . ARG B 2 61 ? 0.730 13.076 -0.808 1.00 8.92 ? 61 ARG B CG 1 ATOM 2135 C CD . ARG B 2 61 ? 1.275 11.669 -0.853 1.00 12.01 ? 61 ARG B CD 1 ATOM 2136 N NE . ARG B 2 61 ? 0.403 10.740 -1.579 1.00 11.15 ? 61 ARG B NE 1 ATOM 2137 C CZ . ARG B 2 61 ? -0.569 10.019 -1.026 1.00 16.25 ? 61 ARG B CZ 1 ATOM 2138 N NH1 . ARG B 2 61 ? -0.858 10.157 0.263 1.00 12.54 ? 61 ARG B NH1 1 ATOM 2139 N NH2 . ARG B 2 61 ? -1.283 9.182 -1.766 1.00 12.72 ? 61 ARG B NH2 1 ATOM 2140 N N . PHE B 2 62 ? -0.323 16.309 -1.429 1.00 10.15 ? 62 PHE B N 1 ATOM 2141 C CA . PHE B 2 62 ? -0.618 17.088 -2.640 1.00 8.97 ? 62 PHE B CA 1 ATOM 2142 C C . PHE B 2 62 ? -0.690 18.594 -2.283 1.00 12.51 ? 62 PHE B C 1 ATOM 2143 O O . PHE B 2 62 ? -1.597 19.030 -1.577 1.00 12.33 ? 62 PHE B O 1 ATOM 2144 C CB . PHE B 2 62 ? -1.918 16.607 -3.285 1.00 10.16 ? 62 PHE B CB 1 ATOM 2145 C CG . PHE B 2 62 ? -1.799 15.219 -3.854 1.00 10.25 ? 62 PHE B CG 1 ATOM 2146 C CD1 . PHE B 2 62 ? -1.153 14.998 -5.067 1.00 11.15 ? 62 PHE B CD1 1 ATOM 2147 C CD2 . PHE B 2 62 ? -2.296 14.119 -3.159 1.00 11.09 ? 62 PHE B CD2 1 ATOM 2148 C CE1 . PHE B 2 62 ? -1.019 13.694 -5.582 1.00 9.98 ? 62 PHE B CE1 1 ATOM 2149 C CE2 . PHE B 2 62 ? -2.132 12.819 -3.659 1.00 10.65 ? 62 PHE B CE2 1 ATOM 2150 C CZ . PHE B 2 62 ? -1.517 12.619 -4.873 1.00 8.34 ? 62 PHE B CZ 1 ATOM 2151 N N . ILE B 2 63 ? 0.282 19.368 -2.755 1.00 9.89 ? 63 ILE B N 1 ATOM 2152 C CA . ILE B 2 63 ? 0.395 20.788 -2.433 1.00 10.51 ? 63 ILE B CA 1 ATOM 2153 C C . ILE B 2 63 ? 0.330 21.611 -3.693 1.00 12.72 ? 63 ILE B C 1 ATOM 2154 O O . ILE B 2 63 ? 1.217 21.503 -4.533 1.00 11.90 ? 63 ILE B O 1 ATOM 2155 C CB . ILE B 2 63 ? 1.686 21.080 -1.604 1.00 13.42 ? 63 ILE B CB 1 ATOM 2156 C CG1 . ILE B 2 63 ? 1.721 20.208 -0.326 1.00 14.79 ? 63 ILE B CG1 1 ATOM 2157 C CG2 . ILE B 2 63 ? 1.793 22.586 -1.253 1.00 15.81 ? 63 ILE B CG2 1 ATOM 2158 C CD1 . ILE B 2 63 ? 3.088 19.975 0.213 1.00 22.72 ? 63 ILE B CD1 1 ATOM 2159 N N . GLY B 2 64 ? -0.704 22.453 -3.800 1.00 7.31 ? 64 GLY B N 1 ATOM 2160 C CA . GLY B 2 64 ? -0.818 23.337 -4.957 1.00 8.00 ? 64 GLY B CA 1 ATOM 2161 C C . GLY B 2 64 ? -0.304 24.718 -4.584 1.00 13.30 ? 64 GLY B C 1 ATOM 2162 O O . GLY B 2 64 ? -0.552 25.191 -3.476 1.00 12.17 ? 64 GLY B O 1 ATOM 2163 N N . SER B 2 65 ? 0.421 25.369 -5.481 1.00 12.64 ? 65 SER B N 1 ATOM 2164 C CA . SER B 2 65 ? 0.936 26.708 -5.186 1.00 12.90 ? 65 SER B CA 1 ATOM 2165 C C . SER B 2 65 ? 0.925 27.557 -6.463 1.00 17.31 ? 65 SER B C 1 ATOM 2166 O O . SER B 2 65 ? 0.794 27.025 -7.582 1.00 14.92 ? 65 SER B O 1 ATOM 2167 C CB . SER B 2 65 ? 2.342 26.625 -4.586 1.00 13.48 ? 65 SER B CB 1 ATOM 2168 O OG . SER B 2 65 ? 3.209 25.959 -5.489 1.00 15.74 ? 65 SER B OG 1 ATOM 2169 N N . GLU B 2 66 ? 1.030 28.879 -6.289 1.00 14.45 ? 66 GLU B N 1 ATOM 2170 C CA . GLU B 2 66 ? 0.969 29.829 -7.394 1.00 14.29 ? 66 GLU B CA 1 ATOM 2171 C C . GLU B 2 66 ? 1.916 31.000 -7.198 1.00 20.40 ? 66 GLU B C 1 ATOM 2172 O O . GLU B 2 66 ? 2.244 31.362 -6.065 1.00 17.44 ? 66 GLU B O 1 ATOM 2173 C CB . GLU B 2 66 ? -0.458 30.370 -7.559 1.00 15.53 ? 66 GLU B CB 1 ATOM 2174 C CG . GLU B 2 66 ? -1.000 31.045 -6.310 1.00 25.98 ? 66 GLU B CG 1 ATOM 2175 C CD . GLU B 2 66 ? -2.415 31.569 -6.374 1.00 47.05 ? 66 GLU B CD 1 ATOM 2176 O OE1 . GLU B 2 66 ? -2.941 31.741 -7.496 1.00 32.83 ? 66 GLU B OE1 1 ATOM 2177 O OE2 . GLU B 2 66 ? -2.989 31.842 -5.295 1.00 48.79 ? 66 GLU B OE2 1 ATOM 2178 N N . SER B 2 67 ? 2.331 31.578 -8.322 1.00 20.67 ? 67 SER B N 1 ATOM 2179 C CA . SER B 2 67 ? 3.184 32.772 -8.410 1.00 21.70 ? 67 SER B CA 1 ATOM 2180 C C . SER B 2 67 ? 2.873 33.419 -9.745 1.00 22.80 ? 67 SER B C 1 ATOM 2181 O O . SER B 2 67 ? 3.313 32.909 -10.775 1.00 21.97 ? 67 SER B O 1 ATOM 2182 C CB . SER B 2 67 ? 4.658 32.391 -8.332 1.00 25.08 ? 67 SER B CB 1 ATOM 2183 O OG . SER B 2 67 ? 5.439 33.571 -8.299 1.00 33.87 ? 67 SER B OG 1 ATOM 2184 N N . GLY B 2 68 ? 2.047 34.480 -9.722 1.00 21.17 ? 68 GLY B N 1 ATOM 2185 C CA . GLY B 2 68 ? 1.590 35.173 -10.928 1.00 21.35 ? 68 GLY B CA 1 ATOM 2186 C C . GLY B 2 68 ? 0.843 34.225 -11.855 1.00 23.39 ? 68 GLY B C 1 ATOM 2187 O O . GLY B 2 68 ? -0.185 33.666 -11.473 1.00 22.21 ? 68 GLY B O 1 ATOM 2188 N N . THR B 2 69 ? 1.419 33.952 -13.032 1.00 18.16 ? 69 THR B N 1 ATOM 2189 C CA . THR B 2 69 ? 0.855 33.011 -14.001 1.00 17.17 ? 69 THR B CA 1 ATOM 2190 C C . THR B 2 69 ? 1.508 31.599 -13.932 1.00 18.83 ? 69 THR B C 1 ATOM 2191 O O . THR B 2 69 ? 1.158 30.746 -14.744 1.00 18.89 ? 69 THR B O 1 ATOM 2192 C CB . THR B 2 69 ? 0.873 33.580 -15.429 1.00 22.99 ? 69 THR B CB 1 ATOM 2193 O OG1 . THR B 2 69 ? 2.219 33.836 -15.798 1.00 23.72 ? 69 THR B OG1 1 ATOM 2194 C CG2 . THR B 2 69 ? 0.020 34.822 -15.597 1.00 20.56 ? 69 THR B CG2 1 ATOM 2195 N N . ASP B 2 70 ? 2.430 31.353 -12.960 1.00 14.51 ? 70 ASP B N 1 ATOM 2196 C CA . ASP B 2 70 ? 3.095 30.042 -12.774 1.00 13.25 ? 70 ASP B CA 1 ATOM 2197 C C . ASP B 2 70 ? 2.357 29.283 -11.672 1.00 14.88 ? 70 ASP B C 1 ATOM 2198 O O . ASP B 2 70 ? 2.180 29.818 -10.593 1.00 17.17 ? 70 ASP B O 1 ATOM 2199 C CB . ASP B 2 70 ? 4.588 30.226 -12.381 1.00 16.06 ? 70 ASP B CB 1 ATOM 2200 C CG . ASP B 2 70 ? 5.407 30.957 -13.442 1.00 31.19 ? 70 ASP B CG 1 ATOM 2201 O OD1 . ASP B 2 70 ? 5.466 30.462 -14.593 1.00 30.59 ? 70 ASP B OD1 1 ATOM 2202 O OD2 . ASP B 2 70 ? 5.921 32.070 -13.142 1.00 38.27 ? 70 ASP B OD2 1 ATOM 2203 N N . PHE B 2 71 ? 1.883 28.082 -11.964 1.00 9.88 ? 71 PHE B N 1 ATOM 2204 C CA . PHE B 2 71 ? 1.154 27.224 -11.009 1.00 9.87 ? 71 PHE B CA 1 ATOM 2205 C C . PHE B 2 71 ? 1.951 25.953 -10.830 1.00 13.07 ? 71 PHE B C 1 ATOM 2206 O O . PHE B 2 71 ? 2.517 25.457 -11.790 1.00 14.13 ? 71 PHE B O 1 ATOM 2207 C CB . PHE B 2 71 ? -0.261 26.912 -11.515 1.00 9.96 ? 71 PHE B CB 1 ATOM 2208 C CG . PHE B 2 71 ? -1.093 28.166 -11.573 1.00 10.40 ? 71 PHE B CG 1 ATOM 2209 C CD1 . PHE B 2 71 ? -1.755 28.633 -10.439 1.00 12.83 ? 71 PHE B CD1 1 ATOM 2210 C CD2 . PHE B 2 71 ? -1.108 28.955 -12.721 1.00 12.82 ? 71 PHE B CD2 1 ATOM 2211 C CE1 . PHE B 2 71 ? -2.437 29.857 -10.458 1.00 12.45 ? 71 PHE B CE1 1 ATOM 2212 C CE2 . PHE B 2 71 ? -1.761 30.190 -12.732 1.00 15.00 ? 71 PHE B CE2 1 ATOM 2213 C CZ . PHE B 2 71 ? -2.448 30.622 -11.611 1.00 13.29 ? 71 PHE B CZ 1 ATOM 2214 N N . THR B 2 72 ? 1.994 25.434 -9.616 1.00 10.30 ? 72 THR B N 1 ATOM 2215 C CA . THR B 2 72 ? 2.764 24.231 -9.335 1.00 10.41 ? 72 THR B CA 1 ATOM 2216 C C . THR B 2 72 ? 1.980 23.233 -8.517 1.00 11.99 ? 72 THR B C 1 ATOM 2217 O O . THR B 2 72 ? 1.364 23.601 -7.515 1.00 10.74 ? 72 THR B O 1 ATOM 2218 C CB . THR B 2 72 ? 4.072 24.616 -8.580 1.00 13.94 ? 72 THR B CB 1 ATOM 2219 O OG1 . THR B 2 72 ? 4.843 25.430 -9.440 1.00 14.85 ? 72 THR B OG1 1 ATOM 2220 C CG2 . THR B 2 72 ? 4.946 23.378 -8.186 1.00 13.67 ? 72 THR B CG2 1 ATOM 2221 N N . LEU B 2 73 ? 2.056 21.966 -8.925 1.00 9.98 ? 73 LEU B N 1 ATOM 2222 C CA . LEU B 2 73 ? 1.510 20.873 -8.141 1.00 8.14 ? 73 LEU B CA 1 ATOM 2223 C C . LEU B 2 73 ? 2.741 20.112 -7.608 1.00 11.45 ? 73 LEU B C 1 ATOM 2224 O O . LEU B 2 73 ? 3.546 19.611 -8.396 1.00 12.80 ? 73 LEU B O 1 ATOM 2225 C CB . LEU B 2 73 ? 0.568 19.929 -8.922 1.00 7.51 ? 73 LEU B CB 1 ATOM 2226 C CG . LEU B 2 73 ? 0.108 18.692 -8.113 1.00 11.34 ? 73 LEU B CG 1 ATOM 2227 C CD1 . LEU B 2 73 ? -0.830 19.100 -6.900 1.00 12.52 ? 73 LEU B CD1 1 ATOM 2228 C CD2 . LEU B 2 73 ? -0.579 17.637 -9.035 1.00 10.19 ? 73 LEU B CD2 1 ATOM 2229 N N . THR B 2 74 ? 2.862 20.030 -6.282 1.00 8.10 ? 74 THR B N 1 ATOM 2230 C CA . THR B 2 74 ? 3.962 19.296 -5.623 1.00 7.69 ? 74 THR B CA 1 ATOM 2231 C C . THR B 2 74 ? 3.383 18.106 -4.913 1.00 11.26 ? 74 THR B C 1 ATOM 2232 O O . THR B 2 74 ? 2.361 18.235 -4.207 1.00 10.93 ? 74 THR B O 1 ATOM 2233 C CB . THR B 2 74 ? 4.725 20.197 -4.597 1.00 13.97 ? 74 THR B CB 1 ATOM 2234 O OG1 . THR B 2 74 ? 5.222 21.352 -5.282 1.00 15.89 ? 74 THR B OG1 1 ATOM 2235 C CG2 . THR B 2 74 ? 5.903 19.453 -3.863 1.00 11.60 ? 74 THR B CG2 1 ATOM 2236 N N . ILE B 2 75 ? 4.056 16.943 -5.058 1.00 8.97 ? 75 ILE B N 1 ATOM 2237 C CA . ILE B 2 75 ? 3.739 15.775 -4.259 1.00 8.84 ? 75 ILE B CA 1 ATOM 2238 C C . ILE B 2 75 ? 4.931 15.746 -3.276 1.00 12.53 ? 75 ILE B C 1 ATOM 2239 O O . ILE B 2 75 ? 6.085 15.542 -3.710 1.00 13.00 ? 75 ILE B O 1 ATOM 2240 C CB . ILE B 2 75 ? 3.543 14.449 -5.033 1.00 11.71 ? 75 ILE B CB 1 ATOM 2241 C CG1 . ILE B 2 75 ? 2.467 14.599 -6.170 1.00 10.93 ? 75 ILE B CG1 1 ATOM 2242 C CG2 . ILE B 2 75 ? 3.159 13.333 -4.040 1.00 9.60 ? 75 ILE B CG2 1 ATOM 2243 C CD1 . ILE B 2 75 ? 2.342 13.411 -7.096 1.00 9.71 ? 75 ILE B CD1 1 ATOM 2244 N N . SER B 2 76 ? 4.686 16.077 -2.001 1.00 8.12 ? 76 SER B N 1 ATOM 2245 C CA . SER B 2 76 ? 5.799 16.214 -1.032 1.00 9.29 ? 76 SER B CA 1 ATOM 2246 C C . SER B 2 76 ? 6.621 14.936 -0.871 1.00 12.53 ? 76 SER B C 1 ATOM 2247 O O . SER B 2 76 ? 7.836 15.024 -0.718 1.00 13.39 ? 76 SER B O 1 ATOM 2248 C CB . SER B 2 76 ? 5.308 16.717 0.331 1.00 9.49 ? 76 SER B CB 1 ATOM 2249 O OG . SER B 2 76 ? 4.475 15.738 0.948 1.00 12.92 ? 76 SER B OG 1 ATOM 2250 N N . ASN B 2 77 ? 5.948 13.764 -0.907 1.00 10.04 ? 77 ASN B N 1 ATOM 2251 C CA . ASN B 2 77 ? 6.519 12.421 -0.767 1.00 11.17 ? 77 ASN B CA 1 ATOM 2252 C C . ASN B 2 77 ? 5.662 11.493 -1.631 1.00 15.25 ? 77 ASN B C 1 ATOM 2253 O O . ASN B 2 77 ? 4.574 11.114 -1.208 1.00 14.36 ? 77 ASN B O 1 ATOM 2254 C CB . ASN B 2 77 ? 6.417 11.935 0.693 1.00 11.33 ? 77 ASN B CB 1 ATOM 2255 C CG . ASN B 2 77 ? 7.073 12.853 1.690 1.00 25.58 ? 77 ASN B CG 1 ATOM 2256 O OD1 . ASN B 2 77 ? 6.462 13.803 2.153 1.00 22.30 ? 77 ASN B OD1 1 ATOM 2257 N ND2 . ASN B 2 77 ? 8.353 12.637 1.961 1.00 21.08 ? 77 ASN B ND2 1 ATOM 2258 N N . MET B 2 78 ? 6.131 11.164 -2.838 1.00 12.57 ? 78 MET B N 1 ATOM 2259 C CA . MET B 2 78 ? 5.386 10.337 -3.770 1.00 14.04 ? 78 MET B CA 1 ATOM 2260 C C . MET B 2 78 ? 5.152 8.898 -3.252 1.00 17.09 ? 78 MET B C 1 ATOM 2261 O O . MET B 2 78 ? 6.092 8.209 -2.890 1.00 15.85 ? 78 MET B O 1 ATOM 2262 C CB . MET B 2 78 ? 6.052 10.335 -5.152 1.00 17.87 ? 78 MET B CB 1 ATOM 2263 C CG . MET B 2 78 ? 5.017 10.384 -6.276 1.00 24.49 ? 78 MET B CG 1 ATOM 2264 S SD . MET B 2 78 ? 5.692 9.662 -7.745 1.00 33.08 ? 78 MET B SD 1 ATOM 2265 C CE . MET B 2 78 ? 4.294 9.013 -8.393 1.00 30.28 ? 78 MET B CE 1 ATOM 2266 N N . GLN B 2 79 ? 3.886 8.459 -3.215 1.00 13.14 ? 79 GLN B N 1 ATOM 2267 C CA . GLN B 2 79 ? 3.541 7.117 -2.787 1.00 11.81 ? 79 GLN B CA 1 ATOM 2268 C C . GLN B 2 79 ? 3.348 6.275 -4.041 1.00 17.50 ? 79 GLN B C 1 ATOM 2269 O O . GLN B 2 79 ? 3.215 6.817 -5.150 1.00 13.15 ? 79 GLN B O 1 ATOM 2270 C CB . GLN B 2 79 ? 2.277 7.126 -1.901 1.00 12.39 ? 79 GLN B CB 1 ATOM 2271 C CG . GLN B 2 79 ? 2.346 8.112 -0.711 1.00 14.30 ? 79 GLN B CG 1 ATOM 2272 C CD . GLN B 2 79 ? 3.487 7.809 0.241 1.00 18.85 ? 79 GLN B CD 1 ATOM 2273 O OE1 . GLN B 2 79 ? 3.552 6.738 0.835 1.00 17.92 ? 79 GLN B OE1 1 ATOM 2274 N NE2 . GLN B 2 79 ? 4.395 8.746 0.413 1.00 10.13 ? 79 GLN B NE2 1 ATOM 2275 N N . SER B 2 80 ? 3.371 4.941 -3.891 1.00 16.09 ? 80 SER B N 1 ATOM 2276 C CA . SER B 2 80 ? 3.206 4.066 -5.057 1.00 17.16 ? 80 SER B CA 1 ATOM 2277 C C . SER B 2 80 ? 1.895 4.345 -5.832 1.00 17.42 ? 80 SER B C 1 ATOM 2278 O O . SER B 2 80 ? 1.900 4.388 -7.064 1.00 17.52 ? 80 SER B O 1 ATOM 2279 C CB . SER B 2 80 ? 3.325 2.594 -4.639 1.00 22.82 ? 80 SER B CB 1 ATOM 2280 O OG . SER B 2 80 ? 2.323 1.818 -5.269 1.00 34.74 ? 80 SER B OG 1 ATOM 2281 N N . GLU B 2 81 ? 0.829 4.684 -5.109 1.00 12.55 ? 81 GLU B N 1 ATOM 2282 C CA . GLU B 2 81 ? -0.492 4.943 -5.690 1.00 13.07 ? 81 GLU B CA 1 ATOM 2283 C C . GLU B 2 81 ? -0.578 6.273 -6.431 1.00 15.98 ? 81 GLU B C 1 ATOM 2284 O O . GLU B 2 81 ? -1.612 6.555 -7.012 1.00 15.94 ? 81 GLU B O 1 ATOM 2285 C CB . GLU B 2 81 ? -1.576 4.871 -4.603 1.00 13.60 ? 81 GLU B CB 1 ATOM 2286 C CG . GLU B 2 81 ? -1.442 5.975 -3.560 1.00 19.28 ? 81 GLU B CG 1 ATOM 2287 C CD . GLU B 2 81 ? -2.220 5.722 -2.290 1.00 56.51 ? 81 GLU B CD 1 ATOM 2288 O OE1 . GLU B 2 81 ? -3.472 5.782 -2.345 1.00 49.40 ? 81 GLU B OE1 1 ATOM 2289 O OE2 . GLU B 2 81 ? -1.579 5.473 -1.241 1.00 55.14 ? 81 GLU B OE2 1 ATOM 2290 N N . ASP B 2 82 ? 0.458 7.116 -6.328 1.00 11.89 ? 82 ASP B N 1 ATOM 2291 C CA . ASP B 2 82 ? 0.515 8.425 -7.003 1.00 11.16 ? 82 ASP B CA 1 ATOM 2292 C C . ASP B 2 82 ? 1.027 8.352 -8.452 1.00 12.93 ? 82 ASP B C 1 ATOM 2293 O O . ASP B 2 82 ? 0.967 9.370 -9.163 1.00 9.89 ? 82 ASP B O 1 ATOM 2294 C CB . ASP B 2 82 ? 1.325 9.451 -6.194 1.00 11.55 ? 82 ASP B CB 1 ATOM 2295 C CG . ASP B 2 82 ? 0.843 9.594 -4.776 1.00 9.75 ? 82 ASP B CG 1 ATOM 2296 O OD1 . ASP B 2 82 ? -0.356 9.317 -4.519 1.00 10.78 ? 82 ASP B OD1 1 ATOM 2297 O OD2 . ASP B 2 82 ? 1.647 10.002 -3.926 1.00 14.83 ? 82 ASP B OD2 1 ATOM 2298 N N . LEU B 2 83 ? 1.503 7.165 -8.908 1.00 9.93 ? 83 LEU B N 1 ATOM 2299 C CA . LEU B 2 83 ? 1.942 6.986 -10.302 1.00 11.24 ? 83 LEU B CA 1 ATOM 2300 C C . LEU B 2 83 ? 0.674 7.051 -11.172 1.00 15.31 ? 83 LEU B C 1 ATOM 2301 O O . LEU B 2 83 ? -0.233 6.211 -11.041 1.00 13.84 ? 83 LEU B O 1 ATOM 2302 C CB . LEU B 2 83 ? 2.721 5.673 -10.503 1.00 11.51 ? 83 LEU B CB 1 ATOM 2303 C CG . LEU B 2 83 ? 4.109 5.631 -9.823 1.00 16.36 ? 83 LEU B CG 1 ATOM 2304 C CD1 . LEU B 2 83 ? 4.559 4.200 -9.524 1.00 16.36 ? 83 LEU B CD1 1 ATOM 2305 C CD2 . LEU B 2 83 ? 5.174 6.436 -10.625 1.00 15.65 ? 83 LEU B CD2 1 ATOM 2306 N N . ALA B 2 84 ? 0.558 8.143 -11.946 1.00 11.79 ? 84 ALA B N 1 ATOM 2307 C CA . ALA B 2 84 ? -0.671 8.498 -12.675 1.00 11.72 ? 84 ALA B CA 1 ATOM 2308 C C . ALA B 2 84 ? -0.399 9.717 -13.532 1.00 12.79 ? 84 ALA B C 1 ATOM 2309 O O . ALA B 2 84 ? 0.731 10.211 -13.548 1.00 10.08 ? 84 ALA B O 1 ATOM 2310 C CB . ALA B 2 84 ? -1.774 8.845 -11.662 1.00 13.01 ? 84 ALA B CB 1 ATOM 2311 N N . ASP B 2 85 ? -1.430 10.187 -14.271 1.00 11.07 ? 85 ASP B N 1 ATOM 2312 C CA . ASP B 2 85 ? -1.375 11.380 -15.124 1.00 10.21 ? 85 ASP B CA 1 ATOM 2313 C C . ASP B 2 85 ? -1.906 12.537 -14.304 1.00 12.86 ? 85 ASP B C 1 ATOM 2314 O O . ASP B 2 85 ? -2.858 12.363 -13.533 1.00 12.14 ? 85 ASP B O 1 ATOM 2315 C CB . ASP B 2 85 ? -2.323 11.217 -16.322 1.00 13.42 ? 85 ASP B CB 1 ATOM 2316 C CG . ASP B 2 85 ? -1.728 10.547 -17.534 1.00 37.71 ? 85 ASP B CG 1 ATOM 2317 O OD1 . ASP B 2 85 ? -0.741 9.815 -17.375 1.00 41.19 ? 85 ASP B OD1 1 ATOM 2318 O OD2 . ASP B 2 85 ? -2.224 10.800 -18.659 1.00 44.63 ? 85 ASP B OD2 1 ATOM 2319 N N . TYR B 2 86 ? -1.351 13.724 -14.526 1.00 8.10 ? 86 TYR B N 1 ATOM 2320 C CA . TYR B 2 86 ? -1.779 14.944 -13.827 1.00 8.08 ? 86 TYR B CA 1 ATOM 2321 C C . TYR B 2 86 ? -2.039 16.040 -14.845 1.00 10.25 ? 86 TYR B C 1 ATOM 2322 O O . TYR B 2 86 ? -1.198 16.264 -15.708 1.00 9.76 ? 86 TYR B O 1 ATOM 2323 C CB . TYR B 2 86 ? -0.757 15.380 -12.763 1.00 8.08 ? 86 TYR B CB 1 ATOM 2324 C CG . TYR B 2 86 ? -0.643 14.374 -11.640 1.00 7.73 ? 86 TYR B CG 1 ATOM 2325 C CD1 . TYR B 2 86 ? 0.214 13.279 -11.743 1.00 8.17 ? 86 TYR B CD1 1 ATOM 2326 C CD2 . TYR B 2 86 ? -1.467 14.457 -10.516 1.00 8.08 ? 86 TYR B CD2 1 ATOM 2327 C CE1 . TYR B 2 86 ? 0.276 12.313 -10.733 1.00 7.94 ? 86 TYR B CE1 1 ATOM 2328 C CE2 . TYR B 2 86 ? -1.363 13.537 -9.476 1.00 8.93 ? 86 TYR B CE2 1 ATOM 2329 C CZ . TYR B 2 86 ? -0.496 12.465 -9.592 1.00 11.15 ? 86 TYR B CZ 1 ATOM 2330 O OH . TYR B 2 86 ? -0.484 11.512 -8.613 1.00 10.86 ? 86 TYR B OH 1 ATOM 2331 N N . PHE B 2 87 ? -3.179 16.753 -14.703 1.00 7.43 ? 87 PHE B N 1 ATOM 2332 C CA . PHE B 2 87 ? -3.561 17.823 -15.622 1.00 8.72 ? 87 PHE B CA 1 ATOM 2333 C C . PHE B 2 87 ? -3.911 19.104 -14.837 1.00 10.88 ? 87 PHE B C 1 ATOM 2334 O O . PHE B 2 87 ? -4.653 19.051 -13.852 1.00 10.33 ? 87 PHE B O 1 ATOM 2335 C CB . PHE B 2 87 ? -4.807 17.405 -16.448 1.00 9.70 ? 87 PHE B CB 1 ATOM 2336 C CG . PHE B 2 87 ? -4.624 16.196 -17.323 1.00 10.72 ? 87 PHE B CG 1 ATOM 2337 C CD1 . PHE B 2 87 ? -4.197 16.332 -18.644 1.00 11.81 ? 87 PHE B CD1 1 ATOM 2338 C CD2 . PHE B 2 87 ? -4.956 14.915 -16.857 1.00 10.96 ? 87 PHE B CD2 1 ATOM 2339 C CE1 . PHE B 2 87 ? -4.022 15.204 -19.465 1.00 12.13 ? 87 PHE B CE1 1 ATOM 2340 C CE2 . PHE B 2 87 ? -4.788 13.788 -17.681 1.00 12.73 ? 87 PHE B CE2 1 ATOM 2341 C CZ . PHE B 2 87 ? -4.339 13.942 -18.980 1.00 11.24 ? 87 PHE B CZ 1 ATOM 2342 N N . CYS B 2 88 ? -3.381 20.234 -15.277 1.00 8.14 ? 88 CYS B N 1 ATOM 2343 C CA . CYS B 2 88 ? -3.765 21.533 -14.718 1.00 10.20 ? 88 CYS B CA 1 ATOM 2344 C C . CYS B 2 88 ? -4.929 22.020 -15.624 1.00 10.98 ? 88 CYS B C 1 ATOM 2345 O O . CYS B 2 88 ? -5.121 21.545 -16.760 1.00 9.56 ? 88 CYS B O 1 ATOM 2346 C CB . CYS B 2 88 ? -2.603 22.522 -14.720 1.00 15.14 ? 88 CYS B CB 1 ATOM 2347 S SG . CYS B 2 88 ? -2.001 22.908 -16.387 1.00 23.40 ? 88 CYS B SG 1 ATOM 2348 N N . GLN B 2 89 ? -5.703 22.956 -15.137 1.00 7.75 ? 89 GLN B N 1 ATOM 2349 C CA . GLN B 2 89 ? -6.788 23.533 -15.927 1.00 6.88 ? 89 GLN B CA 1 ATOM 2350 C C . GLN B 2 89 ? -7.057 24.935 -15.398 1.00 11.95 ? 89 GLN B C 1 ATOM 2351 O O . GLN B 2 89 ? -7.032 25.138 -14.192 1.00 12.99 ? 89 GLN B O 1 ATOM 2352 C CB . GLN B 2 89 ? -8.073 22.679 -15.745 1.00 7.32 ? 89 GLN B CB 1 ATOM 2353 C CG . GLN B 2 89 ? -9.253 23.140 -16.615 1.00 11.02 ? 89 GLN B CG 1 ATOM 2354 C CD . GLN B 2 89 ? -10.599 22.778 -16.039 1.00 18.55 ? 89 GLN B CD 1 ATOM 2355 O OE1 . GLN B 2 89 ? -10.792 22.691 -14.843 1.00 13.62 ? 89 GLN B OE1 1 ATOM 2356 N NE2 . GLN B 2 89 ? -11.580 22.643 -16.891 1.00 18.38 ? 89 GLN B NE2 1 ATOM 2357 N N . GLN B 2 90 ? -7.384 25.873 -16.288 1.00 7.93 ? 90 GLN B N 1 ATOM 2358 C CA . GLN B 2 90 ? -7.859 27.191 -15.884 1.00 9.03 ? 90 GLN B CA 1 ATOM 2359 C C . GLN B 2 90 ? -9.386 27.162 -16.044 1.00 10.22 ? 90 GLN B C 1 ATOM 2360 O O . GLN B 2 90 ? -9.922 26.629 -17.046 1.00 7.78 ? 90 GLN B O 1 ATOM 2361 C CB . GLN B 2 90 ? -7.193 28.344 -16.686 1.00 9.98 ? 90 GLN B CB 1 ATOM 2362 C CG . GLN B 2 90 ? -7.658 28.550 -18.148 1.00 12.28 ? 90 GLN B CG 1 ATOM 2363 C CD . GLN B 2 90 ? -8.954 29.334 -18.285 1.00 15.55 ? 90 GLN B CD 1 ATOM 2364 O OE1 . GLN B 2 90 ? -9.401 30.051 -17.376 1.00 11.29 ? 90 GLN B OE1 1 ATOM 2365 N NE2 . GLN B 2 90 ? -9.625 29.172 -19.420 1.00 13.62 ? 90 GLN B NE2 1 ATOM 2366 N N . TYR B 2 91 ? -10.067 27.713 -15.064 1.00 7.76 ? 91 TYR B N 1 ATOM 2367 C CA . TYR B 2 91 ? -11.526 27.781 -15.134 1.00 8.74 ? 91 TYR B CA 1 ATOM 2368 C C . TYR B 2 91 ? -12.021 29.187 -14.836 1.00 11.25 ? 91 TYR B C 1 ATOM 2369 O O . TYR B 2 91 ? -13.174 29.377 -14.454 1.00 9.73 ? 91 TYR B O 1 ATOM 2370 C CB . TYR B 2 91 ? -12.186 26.683 -14.251 1.00 9.32 ? 91 TYR B CB 1 ATOM 2371 C CG . TYR B 2 91 ? -11.794 26.772 -12.794 1.00 10.48 ? 91 TYR B CG 1 ATOM 2372 C CD1 . TYR B 2 91 ? -12.449 27.647 -11.927 1.00 10.41 ? 91 TYR B CD1 1 ATOM 2373 C CD2 . TYR B 2 91 ? -10.769 25.971 -12.275 1.00 9.54 ? 91 TYR B CD2 1 ATOM 2374 C CE1 . TYR B 2 91 ? -12.055 27.771 -10.597 1.00 6.99 ? 91 TYR B CE1 1 ATOM 2375 C CE2 . TYR B 2 91 ? -10.400 26.055 -10.937 1.00 9.65 ? 91 TYR B CE2 1 ATOM 2376 C CZ . TYR B 2 91 ? -11.063 26.936 -10.098 1.00 10.71 ? 91 TYR B CZ 1 ATOM 2377 O OH . TYR B 2 91 ? -10.718 27.015 -8.781 1.00 11.10 ? 91 TYR B OH 1 ATOM 2378 N N . SER B 2 92 ? -11.153 30.181 -15.025 1.00 9.70 ? 92 SER B N 1 ATOM 2379 C CA . SER B 2 92 ? -11.540 31.575 -14.842 1.00 10.54 ? 92 SER B CA 1 ATOM 2380 C C . SER B 2 92 ? -12.587 31.962 -15.909 1.00 14.93 ? 92 SER B C 1 ATOM 2381 O O . SER B 2 92 ? -13.561 32.662 -15.613 1.00 14.30 ? 92 SER B O 1 ATOM 2382 C CB . SER B 2 92 ? -10.318 32.491 -14.932 1.00 10.27 ? 92 SER B CB 1 ATOM 2383 O OG . SER B 2 92 ? -10.746 33.834 -15.107 1.00 14.86 ? 92 SER B OG 1 ATOM 2384 N N . SER B 2 93 ? -12.381 31.515 -17.145 1.00 13.29 ? 93 SER B N 1 ATOM 2385 C CA . SER B 2 93 ? -13.311 31.881 -18.204 1.00 14.05 ? 93 SER B CA 1 ATOM 2386 C C . SER B 2 93 ? -13.416 30.827 -19.278 1.00 16.66 ? 93 SER B C 1 ATOM 2387 O O . SER B 2 93 ? -12.469 30.078 -19.532 1.00 15.06 ? 93 SER B O 1 ATOM 2388 C CB . SER B 2 93 ? -12.898 33.224 -18.834 1.00 16.71 ? 93 SER B CB 1 ATOM 2389 O OG . SER B 2 93 ? -11.562 33.169 -19.304 1.00 18.65 ? 93 SER B OG 1 ATOM 2390 N N . TYR B 2 94 ? -14.565 30.829 -19.962 1.00 14.01 ? 94 TYR B N 1 ATOM 2391 C CA . TYR B 2 94 ? -14.783 29.996 -21.131 1.00 12.95 ? 94 TYR B CA 1 ATOM 2392 C C . TYR B 2 94 ? -14.010 30.592 -22.319 1.00 18.75 ? 94 TYR B C 1 ATOM 2393 O O . TYR B 2 94 ? -13.956 31.809 -22.461 1.00 18.30 ? 94 TYR B O 1 ATOM 2394 C CB . TYR B 2 94 ? -16.291 29.875 -21.441 1.00 13.06 ? 94 TYR B CB 1 ATOM 2395 C CG . TYR B 2 94 ? -17.064 29.014 -20.472 1.00 12.50 ? 94 TYR B CG 1 ATOM 2396 C CD1 . TYR B 2 94 ? -16.768 27.661 -20.324 1.00 14.03 ? 94 TYR B CD1 1 ATOM 2397 C CD2 . TYR B 2 94 ? -18.118 29.541 -19.723 1.00 12.67 ? 94 TYR B CD2 1 ATOM 2398 C CE1 . TYR B 2 94 ? -17.486 26.851 -19.448 1.00 15.50 ? 94 TYR B CE1 1 ATOM 2399 C CE2 . TYR B 2 94 ? -18.855 28.737 -18.848 1.00 12.90 ? 94 TYR B CE2 1 ATOM 2400 C CZ . TYR B 2 94 ? -18.532 27.386 -18.718 1.00 19.01 ? 94 TYR B CZ 1 ATOM 2401 O OH . TYR B 2 94 ? -19.230 26.536 -17.890 1.00 16.21 ? 94 TYR B OH 1 ATOM 2402 N N . PRO B 2 95 ? -13.337 29.777 -23.158 1.00 17.45 ? 95 PRO B N 1 ATOM 2403 C CA . PRO B 2 95 ? -13.291 28.306 -23.131 1.00 15.89 ? 95 PRO B CA 1 ATOM 2404 C C . PRO B 2 95 ? -12.366 27.782 -22.033 1.00 17.29 ? 95 PRO B C 1 ATOM 2405 O O . PRO B 2 95 ? -11.284 28.344 -21.824 1.00 14.44 ? 95 PRO B O 1 ATOM 2406 C CB . PRO B 2 95 ? -12.786 27.953 -24.535 1.00 18.58 ? 95 PRO B CB 1 ATOM 2407 C CG . PRO B 2 95 ? -11.968 29.144 -24.971 1.00 23.66 ? 95 PRO B CG 1 ATOM 2408 C CD . PRO B 2 95 ? -12.617 30.339 -24.326 1.00 19.51 ? 95 PRO B CD 1 ATOM 2409 N N . LEU B 2 96 ? -12.772 26.701 -21.333 1.00 11.67 ? 96 LEU B N 1 ATOM 2410 C CA . LEU B 2 96 ? -11.892 26.156 -20.292 1.00 11.10 ? 96 LEU B CA 1 ATOM 2411 C C . LEU B 2 96 ? -10.699 25.525 -21.024 1.00 16.01 ? 96 LEU B C 1 ATOM 2412 O O . LEU B 2 96 ? -10.833 25.113 -22.186 1.00 18.25 ? 96 LEU B O 1 ATOM 2413 C CB . LEU B 2 96 ? -12.629 25.129 -19.388 1.00 11.21 ? 96 LEU B CB 1 ATOM 2414 C CG . LEU B 2 96 ? -13.994 25.563 -18.797 1.00 15.12 ? 96 LEU B CG 1 ATOM 2415 C CD1 . LEU B 2 96 ? -14.562 24.493 -17.851 1.00 15.54 ? 96 LEU B CD1 1 ATOM 2416 C CD2 . LEU B 2 96 ? -13.923 26.947 -18.112 1.00 14.81 ? 96 LEU B CD2 1 ATOM 2417 N N . ALA B 2 97 ? -9.522 25.553 -20.425 1.00 10.56 ? 97 ALA B N 1 ATOM 2418 C CA . ALA B 2 97 ? -8.361 24.971 -21.106 1.00 9.47 ? 97 ALA B CA 1 ATOM 2419 C C . ALA B 2 97 ? -7.604 24.113 -20.127 1.00 12.20 ? 97 ALA B C 1 ATOM 2420 O O . ALA B 2 97 ? -7.381 24.535 -18.984 1.00 11.55 ? 97 ALA B O 1 ATOM 2421 C CB . ALA B 2 97 ? -7.449 26.083 -21.648 1.00 10.03 ? 97 ALA B CB 1 ATOM 2422 N N . PHE B 2 98 ? -7.206 22.901 -20.586 1.00 10.66 ? 98 PHE B N 1 ATOM 2423 C CA . PHE B 2 98 ? -6.398 21.958 -19.814 1.00 10.20 ? 98 PHE B CA 1 ATOM 2424 C C . PHE B 2 98 ? -4.952 22.068 -20.244 1.00 14.91 ? 98 PHE B C 1 ATOM 2425 O O . PHE B 2 98 ? -4.693 22.343 -21.414 1.00 13.25 ? 98 PHE B O 1 ATOM 2426 C CB . PHE B 2 98 ? -6.836 20.509 -20.116 1.00 10.95 ? 98 PHE B CB 1 ATOM 2427 C CG . PHE B 2 98 ? -8.137 20.130 -19.468 1.00 11.79 ? 98 PHE B CG 1 ATOM 2428 C CD1 . PHE B 2 98 ? -8.182 19.763 -18.116 1.00 13.46 ? 98 PHE B CD1 1 ATOM 2429 C CD2 . PHE B 2 98 ? -9.330 20.158 -20.194 1.00 12.98 ? 98 PHE B CD2 1 ATOM 2430 C CE1 . PHE B 2 98 ? -9.398 19.447 -17.502 1.00 13.62 ? 98 PHE B CE1 1 ATOM 2431 C CE2 . PHE B 2 98 ? -10.539 19.803 -19.588 1.00 15.42 ? 98 PHE B CE2 1 ATOM 2432 C CZ . PHE B 2 98 ? -10.567 19.474 -18.245 1.00 13.74 ? 98 PHE B CZ 1 ATOM 2433 N N . GLY B 2 99 ? -4.030 21.769 -19.325 1.00 11.76 ? 99 GLY B N 1 ATOM 2434 C CA . GLY B 2 99 ? -2.627 21.589 -19.669 1.00 11.58 ? 99 GLY B CA 1 ATOM 2435 C C . GLY B 2 99 ? -2.544 20.259 -20.424 1.00 15.06 ? 99 GLY B C 1 ATOM 2436 O O . GLY B 2 99 ? -3.451 19.424 -20.320 1.00 12.59 ? 99 GLY B O 1 ATOM 2437 N N . ALA B 2 100 ? -1.460 20.033 -21.189 1.00 13.56 ? 100 ALA B N 1 ATOM 2438 C CA . ALA B 2 100 ? -1.289 18.821 -21.986 1.00 13.57 ? 100 ALA B CA 1 ATOM 2439 C C . ALA B 2 100 ? -1.131 17.517 -21.140 1.00 14.82 ? 100 ALA B C 1 ATOM 2440 O O . ALA B 2 100 ? -1.307 16.435 -21.677 1.00 14.42 ? 100 ALA B O 1 ATOM 2441 C CB . ALA B 2 100 ? -0.115 18.993 -22.944 1.00 15.19 ? 100 ALA B CB 1 ATOM 2442 N N . GLY B 2 101 ? -0.862 17.642 -19.840 1.00 12.25 ? 101 GLY B N 1 ATOM 2443 C CA . GLY B 2 101 ? -0.745 16.504 -18.930 1.00 11.78 ? 101 GLY B CA 1 ATOM 2444 C C . GLY B 2 101 ? 0.680 16.045 -18.674 1.00 14.41 ? 101 GLY B C 1 ATOM 2445 O O . GLY B 2 101 ? 1.573 16.258 -19.504 1.00 12.28 ? 101 GLY B O 1 ATOM 2446 N N . THR B 2 102 ? 0.900 15.416 -17.512 1.00 10.57 ? 102 THR B N 1 ATOM 2447 C CA . THR B 2 102 ? 2.223 14.914 -17.127 1.00 10.65 ? 102 THR B CA 1 ATOM 2448 C C . THR B 2 102 ? 1.998 13.539 -16.541 1.00 12.49 ? 102 THR B C 1 ATOM 2449 O O . THR B 2 102 ? 1.206 13.402 -15.605 1.00 10.95 ? 102 THR B O 1 ATOM 2450 C CB . THR B 2 102 ? 2.923 15.851 -16.110 1.00 14.86 ? 102 THR B CB 1 ATOM 2451 O OG1 . THR B 2 102 ? 3.137 17.147 -16.703 1.00 11.31 ? 102 THR B OG1 1 ATOM 2452 C CG2 . THR B 2 102 ? 4.289 15.275 -15.624 1.00 14.46 ? 102 THR B CG2 1 ATOM 2453 N N . LYS B 2 103 ? 2.697 12.524 -17.081 1.00 9.97 ? 103 LYS B N 1 ATOM 2454 C CA . LYS B 2 103 ? 2.567 11.172 -16.565 1.00 9.92 ? 103 LYS B CA 1 ATOM 2455 C C . LYS B 2 103 ? 3.773 10.920 -15.673 1.00 13.24 ? 103 LYS B C 1 ATOM 2456 O O . LYS B 2 103 ? 4.900 11.129 -16.111 1.00 13.32 ? 103 LYS B O 1 ATOM 2457 C CB . LYS B 2 103 ? 2.517 10.127 -17.718 1.00 11.59 ? 103 LYS B CB 1 ATOM 2458 C CG . LYS B 2 103 ? 2.290 8.695 -17.174 1.00 19.97 ? 103 LYS B CG 1 ATOM 2459 C CD . LYS B 2 103 ? 2.246 7.605 -18.277 1.00 36.18 ? 103 LYS B CD 1 ATOM 2460 C CE . LYS B 2 103 ? 0.903 7.439 -18.939 1.00 51.15 ? 103 LYS B CE 1 ATOM 2461 N NZ . LYS B 2 103 ? 0.901 6.280 -19.872 1.00 67.75 ? 103 LYS B NZ 1 ATOM 2462 N N . LEU B 2 104 ? 3.534 10.548 -14.409 1.00 10.35 ? 104 LEU B N 1 ATOM 2463 C CA . LEU B 2 104 ? 4.621 10.213 -13.494 1.00 10.54 ? 104 LEU B CA 1 ATOM 2464 C C . LEU B 2 104 ? 4.897 8.710 -13.666 1.00 15.17 ? 104 LEU B C 1 ATOM 2465 O O . LEU B 2 104 ? 3.976 7.899 -13.510 1.00 15.94 ? 104 LEU B O 1 ATOM 2466 C CB . LEU B 2 104 ? 4.254 10.507 -12.026 1.00 10.52 ? 104 LEU B CB 1 ATOM 2467 C CG . LEU B 2 104 ? 3.937 11.967 -11.671 1.00 14.08 ? 104 LEU B CG 1 ATOM 2468 C CD1 . LEU B 2 104 ? 3.760 12.128 -10.154 1.00 13.78 ? 104 LEU B CD1 1 ATOM 2469 C CD2 . LEU B 2 104 ? 5.008 12.954 -12.217 1.00 12.32 ? 104 LEU B CD2 1 ATOM 2470 N N . GLU B 2 105 ? 6.153 8.345 -13.975 1.00 11.00 ? 105 GLU B N 1 ATOM 2471 C CA . GLU B 2 105 ? 6.535 6.944 -14.112 1.00 11.63 ? 105 GLU B CA 1 ATOM 2472 C C . GLU B 2 105 ? 7.623 6.603 -13.091 1.00 15.79 ? 105 GLU B C 1 ATOM 2473 O O . GLU B 2 105 ? 8.227 7.497 -12.492 1.00 15.38 ? 105 GLU B O 1 ATOM 2474 C CB . GLU B 2 105 ? 6.969 6.634 -15.568 1.00 13.17 ? 105 GLU B CB 1 ATOM 2475 C CG . GLU B 2 105 ? 8.275 7.294 -15.995 1.00 19.68 ? 105 GLU B CG 1 ATOM 2476 C CD . GLU B 2 105 ? 9.468 6.349 -16.059 1.00 38.16 ? 105 GLU B CD 1 ATOM 2477 O OE1 . GLU B 2 105 ? 9.379 5.310 -16.747 1.00 20.45 ? 105 GLU B OE1 1 ATOM 2478 O OE2 . GLU B 2 105 ? 10.503 6.654 -15.430 1.00 31.77 ? 105 GLU B OE2 1 ATOM 2479 N N . LEU B 2 106 ? 7.892 5.321 -12.904 1.00 12.39 ? 106 LEU B N 1 ATOM 2480 C CA . LEU B 2 106 ? 8.887 4.918 -11.929 1.00 11.81 ? 106 LEU B CA 1 ATOM 2481 C C . LEU B 2 106 ? 10.285 4.703 -12.508 1.00 15.78 ? 106 LEU B C 1 ATOM 2482 O O . LEU B 2 106 ? 10.464 3.999 -13.515 1.00 13.66 ? 106 LEU B O 1 ATOM 2483 C CB . LEU B 2 106 ? 8.403 3.670 -11.168 1.00 12.23 ? 106 LEU B CB 1 ATOM 2484 C CG . LEU B 2 106 ? 9.116 3.367 -9.852 1.00 17.79 ? 106 LEU B CG 1 ATOM 2485 C CD1 . LEU B 2 106 ? 8.862 4.472 -8.790 1.00 17.70 ? 106 LEU B CD1 1 ATOM 2486 C CD2 . LEU B 2 106 ? 8.689 2.033 -9.319 1.00 20.31 ? 106 LEU B CD2 1 ATOM 2487 N N . LYS B 2 107 ? 11.283 5.290 -11.837 1.00 12.25 ? 107 LYS B N 1 ATOM 2488 C CA . LYS B 2 107 ? 12.671 5.106 -12.201 1.00 13.85 ? 107 LYS B CA 1 ATOM 2489 C C . LYS B 2 107 ? 13.138 3.698 -11.730 1.00 17.33 ? 107 LYS B C 1 ATOM 2490 O O . LYS B 2 107 ? 12.749 3.231 -10.662 1.00 13.87 ? 107 LYS B O 1 ATOM 2491 C CB . LYS B 2 107 ? 13.556 6.191 -11.539 1.00 17.05 ? 107 LYS B CB 1 ATOM 2492 C CG . LYS B 2 107 ? 14.940 6.303 -12.153 1.00 41.18 ? 107 LYS B CG 1 ATOM 2493 C CD . LYS B 2 107 ? 15.824 7.299 -11.412 1.00 60.37 ? 107 LYS B CD 1 ATOM 2494 C CE . LYS B 2 107 ? 17.196 7.429 -12.051 1.00 79.55 ? 107 LYS B CE 1 ATOM 2495 N NZ . LYS B 2 107 ? 18.004 6.177 -11.950 1.00 90.33 ? 107 LYS B NZ 1 ATOM 2496 N N . ARG B 2 108 ? 13.967 3.035 -12.543 1.00 14.86 ? 108 ARG B N 1 ATOM 2497 C CA . ARG B 2 108 ? 14.597 1.743 -12.215 1.00 14.35 ? 108 ARG B CA 1 ATOM 2498 C C . ARG B 2 108 ? 15.893 1.684 -13.054 1.00 17.81 ? 108 ARG B C 1 ATOM 2499 O O . ARG B 2 108 ? 16.116 2.580 -13.870 1.00 16.04 ? 108 ARG B O 1 ATOM 2500 C CB . ARG B 2 108 ? 13.648 0.539 -12.496 1.00 10.95 ? 108 ARG B CB 1 ATOM 2501 C CG . ARG B 2 108 ? 13.178 0.464 -13.955 1.00 14.47 ? 108 ARG B CG 1 ATOM 2502 C CD . ARG B 2 108 ? 13.001 -0.960 -14.463 1.00 16.22 ? 108 ARG B CD 1 ATOM 2503 N NE . ARG B 2 108 ? 14.291 -1.620 -14.643 1.00 15.89 ? 108 ARG B NE 1 ATOM 2504 C CZ . ARG B 2 108 ? 14.526 -2.915 -14.475 1.00 18.06 ? 108 ARG B CZ 1 ATOM 2505 N NH1 . ARG B 2 108 ? 13.560 -3.725 -14.061 1.00 12.81 ? 108 ARG B NH1 1 ATOM 2506 N NH2 . ARG B 2 108 ? 15.740 -3.402 -14.673 1.00 12.00 ? 108 ARG B NH2 1 ATOM 2507 N N . ALA B 2 109 ? 16.737 0.661 -12.865 1.00 16.30 ? 109 ALA B N 1 ATOM 2508 C CA . ALA B 2 109 ? 17.994 0.518 -13.627 1.00 17.15 ? 109 ALA B CA 1 ATOM 2509 C C . ALA B 2 109 ? 17.678 0.308 -15.092 1.00 19.27 ? 109 ALA B C 1 ATOM 2510 O O . ALA B 2 109 ? 16.622 -0.246 -15.420 1.00 17.92 ? 109 ALA B O 1 ATOM 2511 C CB . ALA B 2 109 ? 18.783 -0.681 -13.122 1.00 18.99 ? 109 ALA B CB 1 ATOM 2512 N N . ASP B 2 110 ? 18.557 0.794 -15.982 1.00 17.42 ? 110 ASP B N 1 ATOM 2513 C CA . ASP B 2 110 ? 18.397 0.586 -17.419 1.00 16.38 ? 110 ASP B CA 1 ATOM 2514 C C . ASP B 2 110 ? 18.444 -0.909 -17.728 1.00 18.58 ? 110 ASP B C 1 ATOM 2515 O O . ASP B 2 110 ? 19.147 -1.682 -17.070 1.00 18.44 ? 110 ASP B O 1 ATOM 2516 C CB . ASP B 2 110 ? 19.474 1.346 -18.230 1.00 19.81 ? 110 ASP B CB 1 ATOM 2517 C CG . ASP B 2 110 ? 19.419 2.861 -18.104 1.00 29.37 ? 110 ASP B CG 1 ATOM 2518 O OD1 . ASP B 2 110 ? 18.357 3.390 -17.715 1.00 27.82 ? 110 ASP B OD1 1 ATOM 2519 O OD2 . ASP B 2 110 ? 20.413 3.516 -18.452 1.00 40.42 ? 110 ASP B OD2 1 ATOM 2520 N N . ALA B 2 111 ? 17.648 -1.311 -18.699 1.00 14.23 ? 111 ALA B N 1 ATOM 2521 C CA . ALA B 2 111 ? 17.514 -2.689 -19.128 1.00 12.48 ? 111 ALA B CA 1 ATOM 2522 C C . ALA B 2 111 ? 17.417 -2.715 -20.618 1.00 14.76 ? 111 ALA B C 1 ATOM 2523 O O . ALA B 2 111 ? 16.581 -2.002 -21.183 1.00 12.66 ? 111 ALA B O 1 ATOM 2524 C CB . ALA B 2 111 ? 16.277 -3.302 -18.517 1.00 12.28 ? 111 ALA B CB 1 ATOM 2525 N N . ALA B 2 112 ? 18.266 -3.542 -21.270 1.00 11.80 ? 112 ALA B N 1 ATOM 2526 C CA . ALA B 2 112 ? 18.268 -3.659 -22.730 1.00 12.00 ? 112 ALA B CA 1 ATOM 2527 C C . ALA B 2 112 ? 17.056 -4.462 -23.164 1.00 14.89 ? 112 ALA B C 1 ATOM 2528 O O . ALA B 2 112 ? 16.660 -5.376 -22.450 1.00 16.02 ? 112 ALA B O 1 ATOM 2529 C CB . ALA B 2 112 ? 19.551 -4.369 -23.212 1.00 12.53 ? 112 ALA B CB 1 ATOM 2530 N N . PRO B 2 113 ? 16.446 -4.179 -24.313 1.00 12.00 ? 113 PRO B N 1 ATOM 2531 C CA . PRO B 2 113 ? 15.289 -5.001 -24.710 1.00 13.42 ? 113 PRO B CA 1 ATOM 2532 C C . PRO B 2 113 ? 15.693 -6.422 -25.115 1.00 18.26 ? 113 PRO B C 1 ATOM 2533 O O . PRO B 2 113 ? 16.782 -6.617 -25.669 1.00 18.40 ? 113 PRO B O 1 ATOM 2534 C CB . PRO B 2 113 ? 14.709 -4.243 -25.908 1.00 15.51 ? 113 PRO B CB 1 ATOM 2535 C CG . PRO B 2 113 ? 15.894 -3.504 -26.509 1.00 19.51 ? 113 PRO B CG 1 ATOM 2536 C CD . PRO B 2 113 ? 16.720 -3.100 -25.290 1.00 14.73 ? 113 PRO B CD 1 ATOM 2537 N N . THR B 2 114 ? 14.824 -7.400 -24.867 1.00 14.02 ? 114 THR B N 1 ATOM 2538 C CA . THR B 2 114 ? 15.026 -8.748 -25.393 1.00 14.64 ? 114 THR B CA 1 ATOM 2539 C C . THR B 2 114 ? 14.277 -8.745 -26.745 1.00 19.07 ? 114 THR B C 1 ATOM 2540 O O . THR B 2 114 ? 13.050 -8.554 -26.780 1.00 17.96 ? 114 THR B O 1 ATOM 2541 C CB . THR B 2 114 ? 14.511 -9.818 -24.422 1.00 24.31 ? 114 THR B CB 1 ATOM 2542 O OG1 . THR B 2 114 ? 15.280 -9.742 -23.229 1.00 24.26 ? 114 THR B OG1 1 ATOM 2543 C CG2 . THR B 2 114 ? 14.615 -11.227 -25.001 1.00 21.29 ? 114 THR B CG2 1 ATOM 2544 N N . VAL B 2 115 ? 15.018 -8.904 -27.857 1.00 14.84 ? 115 VAL B N 1 ATOM 2545 C CA . VAL B 2 115 ? 14.413 -8.809 -29.189 1.00 14.08 ? 115 VAL B CA 1 ATOM 2546 C C . VAL B 2 115 ? 14.218 -10.203 -29.849 1.00 17.66 ? 115 VAL B C 1 ATOM 2547 O O . VAL B 2 115 ? 15.141 -11.018 -29.869 1.00 15.14 ? 115 VAL B O 1 ATOM 2548 C CB . VAL B 2 115 ? 15.216 -7.817 -30.079 1.00 18.26 ? 115 VAL B CB 1 ATOM 2549 C CG1 . VAL B 2 115 ? 14.554 -7.623 -31.439 1.00 17.55 ? 115 VAL B CG1 1 ATOM 2550 C CG2 . VAL B 2 115 ? 15.385 -6.470 -29.370 1.00 18.41 ? 115 VAL B CG2 1 ATOM 2551 N N . SER B 2 116 ? 13.003 -10.451 -30.377 1.00 15.27 ? 116 SER B N 1 ATOM 2552 C CA . SER B 2 116 ? 12.621 -11.705 -31.034 1.00 14.89 ? 116 SER B CA 1 ATOM 2553 C C . SER B 2 116 ? 11.904 -11.376 -32.342 1.00 17.96 ? 116 SER B C 1 ATOM 2554 O O . SER B 2 116 ? 11.045 -10.500 -32.365 1.00 17.82 ? 116 SER B O 1 ATOM 2555 C CB . SER B 2 116 ? 11.691 -12.521 -30.140 1.00 16.60 ? 116 SER B CB 1 ATOM 2556 O OG . SER B 2 116 ? 12.315 -12.835 -28.907 1.00 25.11 ? 116 SER B OG 1 ATOM 2557 N N . ILE B 2 117 ? 12.298 -12.037 -33.446 1.00 14.17 ? 117 ILE B N 1 ATOM 2558 C CA . ILE B 2 117 ? 11.701 -11.819 -34.759 1.00 12.22 ? 117 ILE B CA 1 ATOM 2559 C C . ILE B 2 117 ? 11.008 -13.111 -35.204 1.00 16.59 ? 117 ILE B C 1 ATOM 2560 O O . ILE B 2 117 ? 11.478 -14.211 -34.908 1.00 14.67 ? 117 ILE B O 1 ATOM 2561 C CB . ILE B 2 117 ? 12.736 -11.268 -35.783 1.00 14.05 ? 117 ILE B CB 1 ATOM 2562 C CG1 . ILE B 2 117 ? 12.039 -10.749 -37.068 1.00 14.52 ? 117 ILE B CG1 1 ATOM 2563 C CG2 . ILE B 2 117 ? 13.875 -12.293 -36.078 1.00 13.52 ? 117 ILE B CG2 1 ATOM 2564 C CD1 . ILE B 2 117 ? 12.956 -9.766 -37.953 1.00 22.61 ? 117 ILE B CD1 1 ATOM 2565 N N . PHE B 2 118 ? 9.874 -12.950 -35.879 1.00 14.76 ? 118 PHE B N 1 ATOM 2566 C CA . PHE B 2 118 ? 9.027 -14.042 -36.321 1.00 14.55 ? 118 PHE B CA 1 ATOM 2567 C C . PHE B 2 118 ? 8.607 -13.846 -37.773 1.00 18.36 ? 118 PHE B C 1 ATOM 2568 O O . PHE B 2 118 ? 7.867 -12.908 -38.102 1.00 15.98 ? 118 PHE B O 1 ATOM 2569 C CB . PHE B 2 118 ? 7.782 -14.183 -35.404 1.00 15.45 ? 118 PHE B CB 1 ATOM 2570 C CG . PHE B 2 118 ? 8.107 -14.404 -33.951 1.00 15.70 ? 118 PHE B CG 1 ATOM 2571 C CD1 . PHE B 2 118 ? 8.293 -13.324 -33.091 1.00 17.60 ? 118 PHE B CD1 1 ATOM 2572 C CD2 . PHE B 2 118 ? 8.281 -15.696 -33.445 1.00 16.78 ? 118 PHE B CD2 1 ATOM 2573 C CE1 . PHE B 2 118 ? 8.653 -13.528 -31.750 1.00 17.56 ? 118 PHE B CE1 1 ATOM 2574 C CE2 . PHE B 2 118 ? 8.629 -15.899 -32.104 1.00 19.24 ? 118 PHE B CE2 1 ATOM 2575 C CZ . PHE B 2 118 ? 8.808 -14.810 -31.260 1.00 17.98 ? 118 PHE B CZ 1 ATOM 2576 N N . PRO B 2 119 ? 9.027 -14.780 -38.646 1.00 17.56 ? 119 PRO B N 1 ATOM 2577 C CA . PRO B 2 119 ? 8.591 -14.729 -40.060 1.00 17.87 ? 119 PRO B CA 1 ATOM 2578 C C . PRO B 2 119 ? 7.070 -15.014 -40.158 1.00 20.78 ? 119 PRO B C 1 ATOM 2579 O O . PRO B 2 119 ? 6.507 -15.507 -39.182 1.00 20.68 ? 119 PRO B O 1 ATOM 2580 C CB . PRO B 2 119 ? 9.369 -15.892 -40.696 1.00 20.03 ? 119 PRO B CB 1 ATOM 2581 C CG . PRO B 2 119 ? 10.547 -16.140 -39.754 1.00 25.65 ? 119 PRO B CG 1 ATOM 2582 C CD . PRO B 2 119 ? 9.936 -15.923 -38.405 1.00 21.07 ? 119 PRO B CD 1 ATOM 2583 N N . PRO B 2 120 ? 6.381 -14.731 -41.283 1.00 17.02 ? 120 PRO B N 1 ATOM 2584 C CA . PRO B 2 120 ? 4.947 -15.062 -41.368 1.00 17.72 ? 120 PRO B CA 1 ATOM 2585 C C . PRO B 2 120 ? 4.649 -16.543 -41.131 1.00 22.80 ? 120 PRO B C 1 ATOM 2586 O O . PRO B 2 120 ? 5.461 -17.400 -41.479 1.00 24.95 ? 120 PRO B O 1 ATOM 2587 C CB . PRO B 2 120 ? 4.565 -14.632 -42.793 1.00 19.73 ? 120 PRO B CB 1 ATOM 2588 C CG . PRO B 2 120 ? 5.613 -13.727 -43.229 1.00 23.02 ? 120 PRO B CG 1 ATOM 2589 C CD . PRO B 2 120 ? 6.862 -14.138 -42.548 1.00 18.46 ? 120 PRO B CD 1 ATOM 2590 N N . SER B 2 121 ? 3.530 -16.838 -40.478 1.00 18.10 ? 121 SER B N 1 ATOM 2591 C CA . SER B 2 121 ? 3.108 -18.209 -40.218 1.00 18.46 ? 121 SER B CA 1 ATOM 2592 C C . SER B 2 121 ? 2.693 -18.907 -41.541 1.00 23.68 ? 121 SER B C 1 ATOM 2593 O O . SER B 2 121 ? 2.278 -18.225 -42.476 1.00 22.94 ? 121 SER B O 1 ATOM 2594 C CB . SER B 2 121 ? 1.936 -18.232 -39.241 1.00 20.23 ? 121 SER B CB 1 ATOM 2595 O OG . SER B 2 121 ? 0.839 -17.491 -39.748 1.00 26.56 ? 121 SER B OG 1 ATOM 2596 N N . SER B 2 122 ? 2.770 -20.257 -41.592 1.00 24.18 ? 122 SER B N 1 ATOM 2597 C CA . SER B 2 122 ? 2.323 -21.079 -42.751 1.00 24.91 ? 122 SER B CA 1 ATOM 2598 C C . SER B 2 122 ? 0.841 -20.745 -43.060 1.00 29.50 ? 122 SER B C 1 ATOM 2599 O O . SER B 2 122 ? 0.500 -20.532 -44.219 1.00 29.17 ? 122 SER B O 1 ATOM 2600 C CB . SER B 2 122 ? 2.404 -22.574 -42.431 1.00 27.40 ? 122 SER B CB 1 ATOM 2601 O OG . SER B 2 122 ? 3.711 -23.056 -42.160 1.00 41.12 ? 122 SER B OG 1 ATOM 2602 N N . GLU B 2 123 ? -0.012 -20.654 -42.002 1.00 26.04 ? 123 GLU B N 1 ATOM 2603 C CA . GLU B 2 123 ? -1.452 -20.333 -42.099 1.00 25.59 ? 123 GLU B CA 1 ATOM 2604 C C . GLU B 2 123 ? -1.695 -18.968 -42.717 1.00 24.91 ? 123 GLU B C 1 ATOM 2605 O O . GLU B 2 123 ? -2.573 -18.846 -43.554 1.00 23.90 ? 123 GLU B O 1 ATOM 2606 C CB . GLU B 2 123 ? -2.159 -20.433 -40.728 1.00 27.61 ? 123 GLU B CB 1 ATOM 2607 C CG . GLU B 2 123 ? -2.090 -21.814 -40.091 1.00 42.05 ? 123 GLU B CG 1 ATOM 2608 C CD . GLU B 2 123 ? -2.634 -21.938 -38.676 1.00 65.89 ? 123 GLU B CD 1 ATOM 2609 O OE1 . GLU B 2 123 ? -3.738 -21.408 -38.407 1.00 67.85 ? 123 GLU B OE1 1 ATOM 2610 O OE2 . GLU B 2 123 ? -1.974 -22.607 -37.847 1.00 52.92 ? 123 GLU B OE2 1 ATOM 2611 N N . GLN B 2 124 ? -0.930 -17.936 -42.317 1.00 20.36 ? 124 GLN B N 1 ATOM 2612 C CA . GLN B 2 124 ? -1.124 -16.607 -42.897 1.00 20.33 ? 124 GLN B CA 1 ATOM 2613 C C . GLN B 2 124 ? -0.745 -16.574 -44.368 1.00 24.91 ? 124 GLN B C 1 ATOM 2614 O O . GLN B 2 124 ? -1.496 -16.010 -45.163 1.00 25.24 ? 124 GLN B O 1 ATOM 2615 C CB . GLN B 2 124 ? -0.403 -15.499 -42.103 1.00 20.75 ? 124 GLN B CB 1 ATOM 2616 C CG . GLN B 2 124 ? -0.769 -14.098 -42.580 1.00 19.12 ? 124 GLN B CG 1 ATOM 2617 C CD . GLN B 2 124 ? 0.043 -13.013 -41.914 1.00 20.10 ? 124 GLN B CD 1 ATOM 2618 O OE1 . GLN B 2 124 ? 1.166 -13.235 -41.457 1.00 18.37 ? 124 GLN B OE1 1 ATOM 2619 N NE2 . GLN B 2 124 ? -0.483 -11.797 -41.928 1.00 19.42 ? 124 GLN B NE2 1 ATOM 2620 N N . LEU B 2 125 ? 0.403 -17.184 -44.731 1.00 22.35 ? 125 LEU B N 1 ATOM 2621 C CA . LEU B 2 125 ? 0.872 -17.282 -46.117 1.00 22.98 ? 125 LEU B CA 1 ATOM 2622 C C . LEU B 2 125 ? -0.171 -17.989 -47.008 1.00 27.50 ? 125 LEU B C 1 ATOM 2623 O O . LEU B 2 125 ? -0.440 -17.504 -48.100 1.00 27.97 ? 125 LEU B O 1 ATOM 2624 C CB . LEU B 2 125 ? 2.235 -18.010 -46.189 1.00 22.72 ? 125 LEU B CB 1 ATOM 2625 C CG . LEU B 2 125 ? 3.436 -17.246 -45.580 1.00 25.46 ? 125 LEU B CG 1 ATOM 2626 C CD1 . LEU B 2 125 ? 4.622 -18.154 -45.423 1.00 24.32 ? 125 LEU B CD1 1 ATOM 2627 C CD2 . LEU B 2 125 ? 3.795 -16.047 -46.410 1.00 28.47 ? 125 LEU B CD2 1 ATOM 2628 N N . THR B 2 126 ? -0.821 -19.054 -46.491 1.00 25.46 ? 126 THR B N 1 ATOM 2629 C CA . THR B 2 126 ? -1.897 -19.798 -47.180 1.00 26.69 ? 126 THR B CA 1 ATOM 2630 C C . THR B 2 126 ? -3.050 -18.857 -47.575 1.00 34.75 ? 126 THR B C 1 ATOM 2631 O O . THR B 2 126 ? -3.581 -18.983 -48.683 1.00 37.26 ? 126 THR B O 1 ATOM 2632 C CB . THR B 2 126 ? -2.338 -21.010 -46.337 1.00 32.56 ? 126 THR B CB 1 ATOM 2633 O OG1 . THR B 2 126 ? -1.226 -21.907 -46.209 1.00 30.36 ? 126 THR B OG1 1 ATOM 2634 C CG2 . THR B 2 126 ? -3.554 -21.756 -46.930 1.00 30.21 ? 126 THR B CG2 1 ATOM 2635 N N . SER B 2 127 ? -3.399 -17.896 -46.695 1.00 29.78 ? 127 SER B N 1 ATOM 2636 C CA . SER B 2 127 ? -4.463 -16.908 -46.917 1.00 29.27 ? 127 SER B CA 1 ATOM 2637 C C . SER B 2 127 ? -4.050 -15.693 -47.781 1.00 33.07 ? 127 SER B C 1 ATOM 2638 O O . SER B 2 127 ? -4.881 -14.826 -48.052 1.00 33.71 ? 127 SER B O 1 ATOM 2639 C CB . SER B 2 127 ? -5.042 -16.443 -45.579 1.00 33.04 ? 127 SER B CB 1 ATOM 2640 O OG . SER B 2 127 ? -4.155 -15.552 -44.920 1.00 40.49 ? 127 SER B OG 1 ATOM 2641 N N . GLY B 2 128 ? -2.780 -15.635 -48.196 1.00 29.34 ? 128 GLY B N 1 ATOM 2642 C CA . GLY B 2 128 ? -2.260 -14.565 -49.042 1.00 28.40 ? 128 GLY B CA 1 ATOM 2643 C C . GLY B 2 128 ? -1.598 -13.383 -48.346 1.00 29.93 ? 128 GLY B C 1 ATOM 2644 O O . GLY B 2 128 ? -1.161 -12.445 -49.019 1.00 28.16 ? 128 GLY B O 1 ATOM 2645 N N . GLY B 2 129 ? -1.526 -13.419 -47.014 1.00 24.04 ? 129 GLY B N 1 ATOM 2646 C CA . GLY B 2 129 ? -0.923 -12.336 -46.239 1.00 22.47 ? 129 GLY B CA 1 ATOM 2647 C C . GLY B 2 129 ? 0.446 -12.696 -45.703 1.00 22.74 ? 129 GLY B C 1 ATOM 2648 O O . GLY B 2 129 ? 0.777 -13.872 -45.594 1.00 22.61 ? 129 GLY B O 1 ATOM 2649 N N . ALA B 2 130 ? 1.254 -11.689 -45.365 1.00 18.79 ? 130 ALA B N 1 ATOM 2650 C CA . ALA B 2 130 ? 2.593 -11.911 -44.822 1.00 17.96 ? 130 ALA B CA 1 ATOM 2651 C C . ALA B 2 130 ? 2.959 -10.864 -43.775 1.00 20.23 ? 130 ALA B C 1 ATOM 2652 O O . ALA B 2 130 ? 3.306 -9.733 -44.111 1.00 20.31 ? 130 ALA B O 1 ATOM 2653 C CB . ALA B 2 130 ? 3.634 -11.948 -45.945 1.00 18.39 ? 130 ALA B CB 1 ATOM 2654 N N . SER B 2 131 ? 2.850 -11.240 -42.495 1.00 15.30 ? 131 SER B N 1 ATOM 2655 C CA . SER B 2 131 ? 3.234 -10.328 -41.420 1.00 13.74 ? 131 SER B CA 1 ATOM 2656 C C . SER B 2 131 ? 4.512 -10.799 -40.810 1.00 16.14 ? 131 SER B C 1 ATOM 2657 O O . SER B 2 131 ? 4.620 -11.987 -40.529 1.00 17.07 ? 131 SER B O 1 ATOM 2658 C CB . SER B 2 131 ? 2.145 -10.251 -40.350 1.00 14.99 ? 131 SER B CB 1 ATOM 2659 O OG . SER B 2 131 ? 0.980 -9.615 -40.844 1.00 18.90 ? 131 SER B OG 1 ATOM 2660 N N . VAL B 2 132 ? 5.490 -9.876 -40.589 1.00 13.37 ? 132 VAL B N 1 ATOM 2661 C CA . VAL B 2 132 ? 6.754 -10.161 -39.893 1.00 12.52 ? 132 VAL B CA 1 ATOM 2662 C C . VAL B 2 132 ? 6.621 -9.431 -38.531 1.00 14.94 ? 132 VAL B C 1 ATOM 2663 O O . VAL B 2 132 ? 6.312 -8.236 -38.498 1.00 14.02 ? 132 VAL B O 1 ATOM 2664 C CB . VAL B 2 132 ? 8.037 -9.725 -40.666 1.00 17.01 ? 132 VAL B CB 1 ATOM 2665 C CG1 . VAL B 2 132 ? 9.282 -10.229 -39.947 1.00 16.41 ? 132 VAL B CG1 1 ATOM 2666 C CG2 . VAL B 2 132 ? 8.031 -10.237 -42.130 1.00 17.30 ? 132 VAL B CG2 1 ATOM 2667 N N . VAL B 2 133 ? 6.777 -10.165 -37.433 1.00 13.62 ? 133 VAL B N 1 ATOM 2668 C CA . VAL B 2 133 ? 6.584 -9.622 -36.075 1.00 13.95 ? 133 VAL B CA 1 ATOM 2669 C C . VAL B 2 133 ? 7.897 -9.531 -35.333 1.00 16.31 ? 133 VAL B C 1 ATOM 2670 O O . VAL B 2 133 ? 8.678 -10.489 -35.326 1.00 15.01 ? 133 VAL B O 1 ATOM 2671 C CB . VAL B 2 133 ? 5.509 -10.426 -35.265 1.00 17.10 ? 133 VAL B CB 1 ATOM 2672 C CG1 . VAL B 2 133 ? 5.251 -9.807 -33.882 1.00 16.69 ? 133 VAL B CG1 1 ATOM 2673 C CG2 . VAL B 2 133 ? 4.192 -10.534 -36.045 1.00 17.29 ? 133 VAL B CG2 1 ATOM 2674 N N . CYS B 2 134 ? 8.126 -8.382 -34.700 1.00 14.57 ? 134 CYS B N 1 ATOM 2675 C CA . CYS B 2 134 ? 9.277 -8.143 -33.852 1.00 16.94 ? 134 CYS B CA 1 ATOM 2676 C C . CYS B 2 134 ? 8.815 -7.734 -32.436 1.00 14.58 ? 134 CYS B C 1 ATOM 2677 O O . CYS B 2 134 ? 8.152 -6.700 -32.287 1.00 13.14 ? 134 CYS B O 1 ATOM 2678 C CB . CYS B 2 134 ? 10.165 -7.071 -34.479 1.00 21.72 ? 134 CYS B CB 1 ATOM 2679 S SG . CYS B 2 134 ? 11.785 -6.896 -33.705 1.00 29.01 ? 134 CYS B SG 1 ATOM 2680 N N . PHE B 2 135 ? 9.183 -8.512 -31.399 1.00 10.34 ? 135 PHE B N 1 ATOM 2681 C CA . PHE B 2 135 ? 8.890 -8.112 -30.001 1.00 10.23 ? 135 PHE B CA 1 ATOM 2682 C C . PHE B 2 135 ? 10.192 -7.584 -29.403 1.00 13.33 ? 135 PHE B C 1 ATOM 2683 O O . PHE B 2 135 ? 11.257 -8.172 -29.600 1.00 11.94 ? 135 PHE B O 1 ATOM 2684 C CB . PHE B 2 135 ? 8.369 -9.264 -29.121 1.00 11.66 ? 135 PHE B CB 1 ATOM 2685 C CG . PHE B 2 135 ? 7.058 -9.869 -29.555 1.00 12.78 ? 135 PHE B CG 1 ATOM 2686 C CD1 . PHE B 2 135 ? 5.878 -9.140 -29.479 1.00 13.35 ? 135 PHE B CD1 1 ATOM 2687 C CD2 . PHE B 2 135 ? 6.993 -11.185 -29.991 1.00 13.97 ? 135 PHE B CD2 1 ATOM 2688 C CE1 . PHE B 2 135 ? 4.654 -9.706 -29.875 1.00 14.37 ? 135 PHE B CE1 1 ATOM 2689 C CE2 . PHE B 2 135 ? 5.764 -11.752 -30.387 1.00 16.84 ? 135 PHE B CE2 1 ATOM 2690 C CZ . PHE B 2 135 ? 4.603 -11.003 -30.327 1.00 13.35 ? 135 PHE B CZ 1 ATOM 2691 N N . LEU B 2 136 ? 10.083 -6.490 -28.660 1.00 10.46 ? 136 LEU B N 1 ATOM 2692 C CA . LEU B 2 136 ? 11.175 -5.814 -27.963 1.00 10.90 ? 136 LEU B CA 1 ATOM 2693 C C . LEU B 2 136 ? 10.667 -5.744 -26.520 1.00 11.66 ? 136 LEU B C 1 ATOM 2694 O O . LEU B 2 136 ? 9.809 -4.922 -26.193 1.00 10.69 ? 136 LEU B O 1 ATOM 2695 C CB . LEU B 2 136 ? 11.379 -4.431 -28.587 1.00 11.90 ? 136 LEU B CB 1 ATOM 2696 C CG . LEU B 2 136 ? 11.680 -4.442 -30.084 1.00 17.24 ? 136 LEU B CG 1 ATOM 2697 C CD1 . LEU B 2 136 ? 10.424 -4.200 -30.906 1.00 19.08 ? 136 LEU B CD1 1 ATOM 2698 C CD2 . LEU B 2 136 ? 12.697 -3.442 -30.396 1.00 19.18 ? 136 LEU B CD2 1 ATOM 2699 N N . ASN B 2 137 ? 11.121 -6.688 -25.682 1.00 10.17 ? 137 ASN B N 1 ATOM 2700 C CA . ASN B 2 137 ? 10.539 -6.856 -24.366 1.00 11.11 ? 137 ASN B CA 1 ATOM 2701 C C . ASN B 2 137 ? 11.417 -6.497 -23.183 1.00 15.25 ? 137 ASN B C 1 ATOM 2702 O O . ASN B 2 137 ? 12.634 -6.692 -23.222 1.00 14.08 ? 137 ASN B O 1 ATOM 2703 C CB . ASN B 2 137 ? 10.041 -8.305 -24.217 1.00 11.43 ? 137 ASN B CB 1 ATOM 2704 C CG . ASN B 2 137 ? 8.836 -8.639 -25.087 1.00 20.54 ? 137 ASN B CG 1 ATOM 2705 O OD1 . ASN B 2 137 ? 8.095 -7.767 -25.542 1.00 20.84 ? 137 ASN B OD1 1 ATOM 2706 N ND2 . ASN B 2 137 ? 8.639 -9.911 -25.379 1.00 13.21 ? 137 ASN B ND2 1 ATOM 2707 N N . ASN B 2 138 ? 10.752 -6.020 -22.107 1.00 10.28 ? 138 ASN B N 1 ATOM 2708 C CA . ASN B 2 138 ? 11.311 -5.713 -20.795 1.00 10.34 ? 138 ASN B CA 1 ATOM 2709 C C . ASN B 2 138 ? 12.494 -4.742 -20.825 1.00 15.34 ? 138 ASN B C 1 ATOM 2710 O O . ASN B 2 138 ? 13.579 -5.019 -20.272 1.00 14.89 ? 138 ASN B O 1 ATOM 2711 C CB . ASN B 2 138 ? 11.664 -7.019 -20.047 1.00 13.03 ? 138 ASN B CB 1 ATOM 2712 C CG . ASN B 2 138 ? 10.474 -7.965 -19.956 1.00 28.05 ? 138 ASN B CG 1 ATOM 2713 O OD1 . ASN B 2 138 ? 10.385 -8.958 -20.667 1.00 28.91 ? 138 ASN B OD1 1 ATOM 2714 N ND2 . ASN B 2 138 ? 9.525 -7.670 -19.103 1.00 26.04 ? 138 ASN B ND2 1 ATOM 2715 N N . PHE B 2 139 ? 12.294 -3.599 -21.465 1.00 9.89 ? 139 PHE B N 1 ATOM 2716 C CA . PHE B 2 139 ? 13.394 -2.624 -21.500 1.00 8.78 ? 139 PHE B CA 1 ATOM 2717 C C . PHE B 2 139 ? 13.109 -1.434 -20.578 1.00 10.99 ? 139 PHE B C 1 ATOM 2718 O O . PHE B 2 139 ? 11.979 -1.234 -20.125 1.00 8.17 ? 139 PHE B O 1 ATOM 2719 C CB . PHE B 2 139 ? 13.702 -2.164 -22.928 1.00 9.92 ? 139 PHE B CB 1 ATOM 2720 C CG . PHE B 2 139 ? 12.509 -1.584 -23.671 1.00 11.09 ? 139 PHE B CG 1 ATOM 2721 C CD1 . PHE B 2 139 ? 12.205 -0.223 -23.584 1.00 11.49 ? 139 PHE B CD1 1 ATOM 2722 C CD2 . PHE B 2 139 ? 11.691 -2.400 -24.457 1.00 11.01 ? 139 PHE B CD2 1 ATOM 2723 C CE1 . PHE B 2 139 ? 11.099 0.307 -24.267 1.00 12.11 ? 139 PHE B CE1 1 ATOM 2724 C CE2 . PHE B 2 139 ? 10.611 -1.855 -25.172 1.00 13.18 ? 139 PHE B CE2 1 ATOM 2725 C CZ . PHE B 2 139 ? 10.304 -0.515 -25.034 1.00 11.26 ? 139 PHE B CZ 1 ATOM 2726 N N . TYR B 2 140 ? 14.136 -0.662 -20.300 1.00 8.13 ? 140 TYR B N 1 ATOM 2727 C CA . TYR B 2 140 ? 14.017 0.567 -19.514 1.00 8.66 ? 140 TYR B CA 1 ATOM 2728 C C . TYR B 2 140 ? 15.213 1.451 -19.884 1.00 12.83 ? 140 TYR B C 1 ATOM 2729 O O . TYR B 2 140 ? 16.330 0.935 -19.898 1.00 10.77 ? 140 TYR B O 1 ATOM 2730 C CB . TYR B 2 140 ? 13.953 0.322 -17.979 1.00 9.19 ? 140 TYR B CB 1 ATOM 2731 C CG . TYR B 2 140 ? 13.640 1.609 -17.243 1.00 11.26 ? 140 TYR B CG 1 ATOM 2732 C CD1 . TYR B 2 140 ? 14.654 2.497 -16.896 1.00 12.47 ? 140 TYR B CD1 1 ATOM 2733 C CD2 . TYR B 2 140 ? 12.318 2.000 -17.006 1.00 12.16 ? 140 TYR B CD2 1 ATOM 2734 C CE1 . TYR B 2 140 ? 14.368 3.741 -16.330 1.00 12.77 ? 140 TYR B CE1 1 ATOM 2735 C CE2 . TYR B 2 140 ? 12.021 3.245 -16.448 1.00 13.55 ? 140 TYR B CE2 1 ATOM 2736 C CZ . TYR B 2 140 ? 13.053 4.116 -16.127 1.00 16.27 ? 140 TYR B CZ 1 ATOM 2737 O OH . TYR B 2 140 ? 12.790 5.344 -15.598 1.00 15.55 ? 140 TYR B OH 1 ATOM 2738 N N . PRO B 2 141 ? 15.032 2.783 -20.163 1.00 12.20 ? 141 PRO B N 1 ATOM 2739 C CA . PRO B 2 141 ? 13.794 3.589 -20.133 1.00 12.46 ? 141 PRO B CA 1 ATOM 2740 C C . PRO B 2 141 ? 12.866 3.340 -21.317 1.00 15.79 ? 141 PRO B C 1 ATOM 2741 O O . PRO B 2 141 ? 13.206 2.561 -22.210 1.00 16.13 ? 141 PRO B O 1 ATOM 2742 C CB . PRO B 2 141 ? 14.330 5.028 -20.075 1.00 14.14 ? 141 PRO B CB 1 ATOM 2743 C CG . PRO B 2 141 ? 15.575 4.952 -20.861 1.00 17.51 ? 141 PRO B CG 1 ATOM 2744 C CD . PRO B 2 141 ? 16.195 3.639 -20.458 1.00 12.87 ? 141 PRO B CD 1 ATOM 2745 N N . LYS B 2 142 ? 11.689 3.977 -21.306 1.00 11.96 ? 142 LYS B N 1 ATOM 2746 C CA . LYS B 2 142 ? 10.647 3.733 -22.281 1.00 13.90 ? 142 LYS B CA 1 ATOM 2747 C C . LYS B 2 142 ? 11.008 4.124 -23.714 1.00 16.22 ? 142 LYS B C 1 ATOM 2748 O O . LYS B 2 142 ? 10.424 3.549 -24.623 1.00 14.99 ? 142 LYS B O 1 ATOM 2749 C CB . LYS B 2 142 ? 9.304 4.397 -21.859 1.00 17.31 ? 142 LYS B CB 1 ATOM 2750 C CG . LYS B 2 142 ? 9.186 5.890 -22.066 1.00 30.71 ? 142 LYS B CG 1 ATOM 2751 C CD . LYS B 2 142 ? 7.837 6.440 -21.562 1.00 38.17 ? 142 LYS B CD 1 ATOM 2752 C CE . LYS B 2 142 ? 7.856 6.861 -20.094 1.00 54.54 ? 142 LYS B CE 1 ATOM 2753 N NZ . LYS B 2 142 ? 8.935 7.845 -19.755 1.00 55.82 ? 142 LYS B NZ 1 ATOM 2754 N N . ASP B 2 143 ? 11.921 5.101 -23.924 1.00 13.91 ? 143 ASP B N 1 ATOM 2755 C CA . ASP B 2 143 ? 12.191 5.540 -25.314 1.00 15.01 ? 143 ASP B CA 1 ATOM 2756 C C . ASP B 2 143 ? 12.968 4.530 -26.112 1.00 17.69 ? 143 ASP B C 1 ATOM 2757 O O . ASP B 2 143 ? 14.000 4.029 -25.671 1.00 18.31 ? 143 ASP B O 1 ATOM 2758 C CB . ASP B 2 143 ? 12.848 6.928 -25.378 1.00 17.33 ? 143 ASP B CB 1 ATOM 2759 C CG . ASP B 2 143 ? 11.927 8.055 -24.895 1.00 35.34 ? 143 ASP B CG 1 ATOM 2760 O OD1 . ASP B 2 143 ? 10.714 8.043 -25.251 1.00 36.58 ? 143 ASP B OD1 1 ATOM 2761 O OD2 . ASP B 2 143 ? 12.408 8.934 -24.153 1.00 43.62 ? 143 ASP B OD2 1 ATOM 2762 N N . ILE B 2 144 ? 12.415 4.168 -27.257 1.00 14.75 ? 144 ILE B N 1 ATOM 2763 C CA . ILE B 2 144 ? 12.984 3.158 -28.142 1.00 14.82 ? 144 ILE B CA 1 ATOM 2764 C C . ILE B 2 144 ? 12.561 3.472 -29.587 1.00 17.55 ? 144 ILE B C 1 ATOM 2765 O O . ILE B 2 144 ? 11.525 4.085 -29.824 1.00 17.16 ? 144 ILE B O 1 ATOM 2766 C CB . ILE B 2 144 ? 12.561 1.719 -27.654 1.00 17.96 ? 144 ILE B CB 1 ATOM 2767 C CG1 . ILE B 2 144 ? 13.436 0.611 -28.277 1.00 17.52 ? 144 ILE B CG1 1 ATOM 2768 C CG2 . ILE B 2 144 ? 11.043 1.428 -27.841 1.00 19.88 ? 144 ILE B CG2 1 ATOM 2769 C CD1 . ILE B 2 144 ? 13.441 -0.691 -27.444 1.00 22.10 ? 144 ILE B CD1 1 ATOM 2770 N N . ASN B 2 145 ? 13.372 3.072 -30.540 1.00 16.68 ? 145 ASN B N 1 ATOM 2771 C CA . ASN B 2 145 ? 13.056 3.281 -31.953 1.00 18.48 ? 145 ASN B CA 1 ATOM 2772 C C . ASN B 2 145 ? 13.309 1.967 -32.671 1.00 22.85 ? 145 ASN B C 1 ATOM 2773 O O . ASN B 2 145 ? 14.345 1.342 -32.468 1.00 23.02 ? 145 ASN B O 1 ATOM 2774 C CB . ASN B 2 145 ? 13.908 4.405 -32.553 1.00 19.54 ? 145 ASN B CB 1 ATOM 2775 C CG . ASN B 2 145 ? 13.682 4.616 -34.031 1.00 47.62 ? 145 ASN B CG 1 ATOM 2776 O OD1 . ASN B 2 145 ? 12.684 5.211 -34.447 1.00 44.77 ? 145 ASN B OD1 1 ATOM 2777 N ND2 . ASN B 2 145 ? 14.601 4.115 -34.853 1.00 37.79 ? 145 ASN B ND2 1 ATOM 2778 N N . VAL B 2 146 ? 12.345 1.542 -33.481 1.00 20.03 ? 146 VAL B N 1 ATOM 2779 C CA . VAL B 2 146 ? 12.447 0.314 -34.270 1.00 20.12 ? 146 VAL B CA 1 ATOM 2780 C C . VAL B 2 146 ? 12.417 0.738 -35.725 1.00 23.09 ? 146 VAL B C 1 ATOM 2781 O O . VAL B 2 146 ? 11.576 1.550 -36.117 1.00 21.09 ? 146 VAL B O 1 ATOM 2782 C CB . VAL B 2 146 ? 11.307 -0.679 -33.911 1.00 25.59 ? 146 VAL B CB 1 ATOM 2783 C CG1 . VAL B 2 146 ? 11.367 -1.960 -34.747 1.00 26.08 ? 146 VAL B CG1 1 ATOM 2784 C CG2 . VAL B 2 146 ? 11.371 -1.016 -32.438 1.00 25.79 ? 146 VAL B CG2 1 ATOM 2785 N N . LYS B 2 147 ? 13.371 0.225 -36.492 1.00 21.76 ? 147 LYS B N 1 ATOM 2786 C CA . LYS B 2 147 ? 13.486 0.468 -37.928 1.00 22.34 ? 147 LYS B CA 1 ATOM 2787 C C . LYS B 2 147 ? 13.392 -0.890 -38.608 1.00 23.05 ? 147 LYS B C 1 ATOM 2788 O O . LYS B 2 147 ? 14.066 -1.827 -38.196 1.00 23.65 ? 147 LYS B O 1 ATOM 2789 C CB . LYS B 2 147 ? 14.847 1.110 -38.248 1.00 25.26 ? 147 LYS B CB 1 ATOM 2790 C CG . LYS B 2 147 ? 14.785 2.455 -38.925 1.00 43.46 ? 147 LYS B CG 1 ATOM 2791 C CD . LYS B 2 147 ? 16.151 2.809 -39.527 1.00 50.35 ? 147 LYS B CD 1 ATOM 2792 C CE . LYS B 2 147 ? 16.596 4.212 -39.188 1.00 59.61 ? 147 LYS B CE 1 ATOM 2793 N NZ . LYS B 2 147 ? 17.983 4.470 -39.653 1.00 68.32 ? 147 LYS B NZ 1 ATOM 2794 N N . TRP B 2 148 ? 12.547 -1.003 -39.627 1.00 19.56 ? 148 TRP B N 1 ATOM 2795 C CA . TRP B 2 148 ? 12.459 -2.222 -40.419 1.00 19.68 ? 148 TRP B CA 1 ATOM 2796 C C . TRP B 2 148 ? 13.315 -2.026 -41.658 1.00 24.75 ? 148 TRP B C 1 ATOM 2797 O O . TRP B 2 148 ? 13.194 -1.000 -42.323 1.00 23.41 ? 148 TRP B O 1 ATOM 2798 C CB . TRP B 2 148 ? 11.018 -2.507 -40.839 1.00 17.80 ? 148 TRP B CB 1 ATOM 2799 C CG . TRP B 2 148 ? 10.211 -3.152 -39.753 1.00 17.76 ? 148 TRP B CG 1 ATOM 2800 C CD1 . TRP B 2 148 ? 9.404 -2.526 -38.847 1.00 20.11 ? 148 TRP B CD1 1 ATOM 2801 C CD2 . TRP B 2 148 ? 10.205 -4.549 -39.402 1.00 16.97 ? 148 TRP B CD2 1 ATOM 2802 N NE1 . TRP B 2 148 ? 8.823 -3.463 -38.008 1.00 18.80 ? 148 TRP B NE1 1 ATOM 2803 C CE2 . TRP B 2 148 ? 9.308 -4.707 -38.320 1.00 19.79 ? 148 TRP B CE2 1 ATOM 2804 C CE3 . TRP B 2 148 ? 10.859 -5.689 -39.910 1.00 18.23 ? 148 TRP B CE3 1 ATOM 2805 C CZ2 . TRP B 2 148 ? 9.051 -5.954 -37.734 1.00 18.72 ? 148 TRP B CZ2 1 ATOM 2806 C CZ3 . TRP B 2 148 ? 10.608 -6.921 -39.320 1.00 19.10 ? 148 TRP B CZ3 1 ATOM 2807 C CH2 . TRP B 2 148 ? 9.691 -7.045 -38.264 1.00 19.51 ? 148 TRP B CH2 1 ATOM 2808 N N . LYS B 2 149 ? 14.190 -2.986 -41.942 1.00 23.06 ? 149 LYS B N 1 ATOM 2809 C CA . LYS B 2 149 ? 14.988 -2.976 -43.165 1.00 23.99 ? 149 LYS B CA 1 ATOM 2810 C C . LYS B 2 149 ? 14.660 -4.229 -43.979 1.00 27.71 ? 149 LYS B C 1 ATOM 2811 O O . LYS B 2 149 ? 14.617 -5.338 -43.437 1.00 27.25 ? 149 LYS B O 1 ATOM 2812 C CB . LYS B 2 149 ? 16.494 -2.895 -42.880 1.00 26.16 ? 149 LYS B CB 1 ATOM 2813 C CG . LYS B 2 149 ? 16.921 -1.615 -42.149 1.00 39.46 ? 149 LYS B CG 1 ATOM 2814 C CD . LYS B 2 149 ? 18.403 -1.635 -41.793 1.00 47.93 ? 149 LYS B CD 1 ATOM 2815 C CE . LYS B 2 149 ? 19.255 -0.919 -42.815 1.00 60.14 ? 149 LYS B CE 1 ATOM 2816 N NZ . LYS B 2 149 ? 20.704 -1.035 -42.502 1.00 72.18 ? 149 LYS B NZ 1 ATOM 2817 N N . ILE B 2 150 ? 14.388 -4.039 -45.268 1.00 24.05 ? 150 ILE B N 1 ATOM 2818 C CA . ILE B 2 150 ? 14.126 -5.144 -46.203 1.00 23.12 ? 150 ILE B CA 1 ATOM 2819 C C . ILE B 2 150 ? 15.273 -5.067 -47.213 1.00 26.34 ? 150 ILE B C 1 ATOM 2820 O O . ILE B 2 150 ? 15.350 -4.077 -47.943 1.00 25.25 ? 150 ILE B O 1 ATOM 2821 C CB . ILE B 2 150 ? 12.738 -5.054 -46.892 1.00 24.97 ? 150 ILE B CB 1 ATOM 2822 C CG1 . ILE B 2 150 ? 11.573 -5.144 -45.881 1.00 25.78 ? 150 ILE B CG1 1 ATOM 2823 C CG2 . ILE B 2 150 ? 12.625 -6.153 -47.922 1.00 23.53 ? 150 ILE B CG2 1 ATOM 2824 C CD1 . ILE B 2 150 ? 10.106 -4.907 -46.511 1.00 29.96 ? 150 ILE B CD1 1 ATOM 2825 N N . ASP B 2 151 ? 16.175 -6.071 -47.217 1.00 24.82 ? 151 ASP B N 1 ATOM 2826 C CA . ASP B 2 151 ? 17.365 -6.095 -48.083 1.00 26.35 ? 151 ASP B CA 1 ATOM 2827 C C . ASP B 2 151 ? 18.172 -4.782 -47.964 1.00 33.31 ? 151 ASP B C 1 ATOM 2828 O O . ASP B 2 151 ? 18.486 -4.129 -48.977 1.00 32.46 ? 151 ASP B O 1 ATOM 2829 C CB . ASP B 2 151 ? 16.986 -6.431 -49.547 1.00 26.80 ? 151 ASP B CB 1 ATOM 2830 C CG . ASP B 2 151 ? 16.531 -7.866 -49.728 1.00 27.21 ? 151 ASP B CG 1 ATOM 2831 O OD1 . ASP B 2 151 ? 17.230 -8.780 -49.237 1.00 26.64 ? 151 ASP B OD1 1 ATOM 2832 O OD2 . ASP B 2 151 ? 15.515 -8.076 -50.394 1.00 32.03 ? 151 ASP B OD2 1 ATOM 2833 N N . GLY B 2 152 ? 18.414 -4.378 -46.711 1.00 29.28 ? 152 GLY B N 1 ATOM 2834 C CA . GLY B 2 152 ? 19.162 -3.170 -46.363 1.00 28.90 ? 152 GLY B CA 1 ATOM 2835 C C . GLY B 2 152 ? 18.445 -1.860 -46.618 1.00 33.11 ? 152 GLY B C 1 ATOM 2836 O O . GLY B 2 152 ? 18.984 -0.797 -46.313 1.00 34.11 ? 152 GLY B O 1 ATOM 2837 N N . SER B 2 153 ? 17.240 -1.906 -47.180 1.00 29.81 ? 153 SER B N 1 ATOM 2838 C CA . SER B 2 153 ? 16.461 -0.705 -47.474 1.00 30.70 ? 153 SER B CA 1 ATOM 2839 C C . SER B 2 153 ? 15.416 -0.491 -46.372 1.00 34.12 ? 153 SER B C 1 ATOM 2840 O O . SER B 2 153 ? 14.660 -1.410 -46.065 1.00 32.97 ? 153 SER B O 1 ATOM 2841 C CB . SER B 2 153 ? 15.782 -0.841 -48.837 1.00 36.68 ? 153 SER B CB 1 ATOM 2842 O OG . SER B 2 153 ? 15.046 0.319 -49.190 1.00 50.14 ? 153 SER B OG 1 ATOM 2843 N N . GLU B 2 154 ? 15.366 0.712 -45.788 1.00 31.38 ? 154 GLU B N 1 ATOM 2844 C CA . GLU B 2 154 ? 14.403 1.022 -44.734 1.00 31.21 ? 154 GLU B CA 1 ATOM 2845 C C . GLU B 2 154 ? 12.952 0.994 -45.242 1.00 35.27 ? 154 GLU B C 1 ATOM 2846 O O . GLU B 2 154 ? 12.652 1.578 -46.286 1.00 33.75 ? 154 GLU B O 1 ATOM 2847 C CB . GLU B 2 154 ? 14.718 2.377 -44.072 1.00 32.57 ? 154 GLU B CB 1 ATOM 2848 C CG . GLU B 2 154 ? 14.035 2.549 -42.722 1.00 43.12 ? 154 GLU B CG 1 ATOM 2849 C CD . GLU B 2 154 ? 13.967 3.952 -42.146 1.00 56.75 ? 154 GLU B CD 1 ATOM 2850 O OE1 . GLU B 2 154 ? 14.904 4.750 -42.381 1.00 43.95 ? 154 GLU B OE1 1 ATOM 2851 O OE2 . GLU B 2 154 ? 13.004 4.228 -41.394 1.00 47.51 ? 154 GLU B OE2 1 ATOM 2852 N N . ARG B 2 155 ? 12.059 0.298 -44.504 1.00 31.27 ? 155 ARG B N 1 ATOM 2853 C CA . ARG B 2 155 ? 10.647 0.245 -44.845 1.00 31.26 ? 155 ARG B CA 1 ATOM 2854 C C . ARG B 2 155 ? 9.787 0.888 -43.776 1.00 37.12 ? 155 ARG B C 1 ATOM 2855 O O . ARG B 2 155 ? 9.915 0.557 -42.598 1.00 36.78 ? 155 ARG B O 1 ATOM 2856 C CB . ARG B 2 155 ? 10.151 -1.175 -45.168 1.00 30.30 ? 155 ARG B CB 1 ATOM 2857 C CG . ARG B 2 155 ? 9.074 -1.115 -46.269 1.00 37.31 ? 155 ARG B CG 1 ATOM 2858 C CD . ARG B 2 155 ? 7.960 -2.098 -46.064 1.00 40.56 ? 155 ARG B CD 1 ATOM 2859 N NE . ARG B 2 155 ? 6.794 -1.820 -46.905 1.00 46.81 ? 155 ARG B NE 1 ATOM 2860 C CZ . ARG B 2 155 ? 6.640 -2.249 -48.154 1.00 57.24 ? 155 ARG B CZ 1 ATOM 2861 N NH1 . ARG B 2 155 ? 7.593 -2.962 -48.741 1.00 37.10 ? 155 ARG B NH1 1 ATOM 2862 N NH2 . ARG B 2 155 ? 5.535 -1.964 -48.827 1.00 52.57 ? 155 ARG B NH2 1 ATOM 2863 N N . GLN B 2 156 ? 8.892 1.787 -44.191 1.00 34.76 ? 156 GLN B N 1 ATOM 2864 C CA . GLN B 2 156 ? 8.003 2.478 -43.261 1.00 34.67 ? 156 GLN B CA 1 ATOM 2865 C C . GLN B 2 156 ? 6.548 2.053 -43.418 1.00 38.19 ? 156 GLN B C 1 ATOM 2866 O O . GLN B 2 156 ? 5.854 1.868 -42.412 1.00 37.85 ? 156 GLN B O 1 ATOM 2867 C CB . GLN B 2 156 ? 8.176 4.001 -43.373 1.00 35.94 ? 156 GLN B CB 1 ATOM 2868 C CG . GLN B 2 156 ? 9.446 4.511 -42.678 1.00 45.58 ? 156 GLN B CG 1 ATOM 2869 C CD . GLN B 2 156 ? 9.777 5.960 -42.974 1.00 64.69 ? 156 GLN B CD 1 ATOM 2870 O OE1 . GLN B 2 156 ? 8.899 6.814 -43.161 1.00 62.77 ? 156 GLN B OE1 1 ATOM 2871 N NE2 . GLN B 2 156 ? 11.065 6.281 -42.982 1.00 52.61 ? 156 GLN B NE2 1 ATOM 2872 N N . ASN B 2 157 ? 6.083 1.888 -44.678 1.00 32.78 ? 157 ASN B N 1 ATOM 2873 C CA . ASN B 2 157 ? 4.703 1.490 -44.973 1.00 31.17 ? 157 ASN B CA 1 ATOM 2874 C C . ASN B 2 157 ? 4.401 0.079 -44.487 1.00 27.61 ? 157 ASN B C 1 ATOM 2875 O O . ASN B 2 157 ? 5.206 -0.821 -44.685 1.00 25.73 ? 157 ASN B O 1 ATOM 2876 C CB . ASN B 2 157 ? 4.417 1.588 -46.489 1.00 37.03 ? 157 ASN B CB 1 ATOM 2877 C CG . ASN B 2 157 ? 4.305 2.989 -47.046 1.00 78.69 ? 157 ASN B CG 1 ATOM 2878 O OD1 . ASN B 2 157 ? 4.749 3.982 -46.451 1.00 77.51 ? 157 ASN B OD1 1 ATOM 2879 N ND2 . ASN B 2 157 ? 3.696 3.096 -48.219 1.00 76.22 ? 157 ASN B ND2 1 ATOM 2880 N N . GLY B 2 158 ? 3.228 -0.102 -43.902 1.00 22.19 ? 158 GLY B N 1 ATOM 2881 C CA . GLY B 2 158 ? 2.790 -1.412 -43.440 1.00 22.46 ? 158 GLY B CA 1 ATOM 2882 C C . GLY B 2 158 ? 3.337 -1.794 -42.078 1.00 25.25 ? 158 GLY B C 1 ATOM 2883 O O . GLY B 2 158 ? 3.386 -2.972 -41.746 1.00 25.28 ? 158 GLY B O 1 ATOM 2884 N N . VAL B 2 159 ? 3.743 -0.805 -41.277 1.00 20.57 ? 159 VAL B N 1 ATOM 2885 C CA . VAL B 2 159 ? 4.247 -1.060 -39.930 1.00 18.75 ? 159 VAL B CA 1 ATOM 2886 C C . VAL B 2 159 ? 3.164 -0.694 -38.915 1.00 23.53 ? 159 VAL B C 1 ATOM 2887 O O . VAL B 2 159 ? 2.580 0.397 -38.989 1.00 25.03 ? 159 VAL B O 1 ATOM 2888 C CB . VAL B 2 159 ? 5.610 -0.379 -39.644 1.00 19.99 ? 159 VAL B CB 1 ATOM 2889 C CG1 . VAL B 2 159 ? 6.042 -0.602 -38.183 1.00 18.99 ? 159 VAL B CG1 1 ATOM 2890 C CG2 . VAL B 2 159 ? 6.681 -0.902 -40.598 1.00 19.15 ? 159 VAL B CG2 1 ATOM 2891 N N . LEU B 2 160 ? 2.868 -1.629 -37.998 1.00 18.25 ? 160 LEU B N 1 ATOM 2892 C CA . LEU B 2 160 ? 1.904 -1.416 -36.933 1.00 17.62 ? 160 LEU B CA 1 ATOM 2893 C C . LEU B 2 160 ? 2.639 -1.646 -35.608 1.00 17.85 ? 160 LEU B C 1 ATOM 2894 O O . LEU B 2 160 ? 3.140 -2.747 -35.353 1.00 15.82 ? 160 LEU B O 1 ATOM 2895 C CB . LEU B 2 160 ? 0.664 -2.325 -37.087 1.00 17.94 ? 160 LEU B CB 1 ATOM 2896 C CG . LEU B 2 160 ? -0.465 -2.098 -36.051 1.00 23.43 ? 160 LEU B CG 1 ATOM 2897 C CD1 . LEU B 2 160 ? -1.826 -2.332 -36.667 1.00 24.16 ? 160 LEU B CD1 1 ATOM 2898 C CD2 . LEU B 2 160 ? -0.260 -2.952 -34.759 1.00 21.52 ? 160 LEU B CD2 1 ATOM 2899 N N . ASN B 2 161 ? 2.697 -0.601 -34.776 1.00 14.10 ? 161 ASN B N 1 ATOM 2900 C CA . ASN B 2 161 ? 3.381 -0.633 -33.493 1.00 12.59 ? 161 ASN B CA 1 ATOM 2901 C C . ASN B 2 161 ? 2.439 -0.560 -32.316 1.00 16.69 ? 161 ASN B C 1 ATOM 2902 O O . ASN B 2 161 ? 1.451 0.172 -32.365 1.00 16.38 ? 161 ASN B O 1 ATOM 2903 C CB . ASN B 2 161 ? 4.364 0.530 -33.421 1.00 14.60 ? 161 ASN B CB 1 ATOM 2904 C CG . ASN B 2 161 ? 5.530 0.366 -34.334 1.00 20.25 ? 161 ASN B CG 1 ATOM 2905 O OD1 . ASN B 2 161 ? 5.954 -0.736 -34.614 1.00 20.13 ? 161 ASN B OD1 1 ATOM 2906 N ND2 . ASN B 2 161 ? 6.135 1.456 -34.749 1.00 18.22 ? 161 ASN B ND2 1 ATOM 2907 N N . SER B 2 162 ? 2.775 -1.282 -31.228 1.00 11.39 ? 162 SER B N 1 ATOM 2908 C CA . SER B 2 162 ? 1.993 -1.237 -30.004 1.00 10.42 ? 162 SER B CA 1 ATOM 2909 C C . SER B 2 162 ? 2.919 -1.277 -28.804 1.00 12.84 ? 162 SER B C 1 ATOM 2910 O O . SER B 2 162 ? 3.909 -1.993 -28.821 1.00 10.69 ? 162 SER B O 1 ATOM 2911 C CB . SER B 2 162 ? 0.958 -2.348 -29.944 1.00 11.48 ? 162 SER B CB 1 ATOM 2912 O OG . SER B 2 162 ? 0.038 -2.006 -28.927 1.00 16.26 ? 162 SER B OG 1 ATOM 2913 N N . TRP B 2 163 ? 2.576 -0.527 -27.754 1.00 12.61 ? 163 TRP B N 1 ATOM 2914 C CA . TRP B 2 163 ? 3.426 -0.424 -26.578 1.00 13.66 ? 163 TRP B CA 1 ATOM 2915 C C . TRP B 2 163 ? 2.667 -0.760 -25.329 1.00 18.32 ? 163 TRP B C 1 ATOM 2916 O O . TRP B 2 163 ? 1.506 -0.356 -25.175 1.00 17.66 ? 163 TRP B O 1 ATOM 2917 C CB . TRP B 2 163 ? 3.969 1.013 -26.470 1.00 13.50 ? 163 TRP B CB 1 ATOM 2918 C CG . TRP B 2 163 ? 4.800 1.484 -27.630 1.00 15.73 ? 163 TRP B CG 1 ATOM 2919 C CD1 . TRP B 2 163 ? 6.162 1.498 -27.707 1.00 18.23 ? 163 TRP B CD1 1 ATOM 2920 C CD2 . TRP B 2 163 ? 4.320 2.079 -28.847 1.00 16.42 ? 163 TRP B CD2 1 ATOM 2921 N NE1 . TRP B 2 163 ? 6.562 2.048 -28.908 1.00 18.18 ? 163 TRP B NE1 1 ATOM 2922 C CE2 . TRP B 2 163 ? 5.453 2.451 -29.606 1.00 20.32 ? 163 TRP B CE2 1 ATOM 2923 C CE3 . TRP B 2 163 ? 3.041 2.424 -29.326 1.00 18.56 ? 163 TRP B CE3 1 ATOM 2924 C CZ2 . TRP B 2 163 ? 5.346 3.082 -30.851 1.00 20.57 ? 163 TRP B CZ2 1 ATOM 2925 C CZ3 . TRP B 2 163 ? 2.937 3.074 -30.553 1.00 20.42 ? 163 TRP B CZ3 1 ATOM 2926 C CH2 . TRP B 2 163 ? 4.078 3.392 -31.301 1.00 20.93 ? 163 TRP B CH2 1 ATOM 2927 N N . THR B 2 164 ? 3.304 -1.473 -24.409 1.00 15.49 ? 164 THR B N 1 ATOM 2928 C CA . THR B 2 164 ? 2.630 -1.723 -23.136 1.00 15.03 ? 164 THR B CA 1 ATOM 2929 C C . THR B 2 164 ? 2.892 -0.508 -22.215 1.00 18.20 ? 164 THR B C 1 ATOM 2930 O O . THR B 2 164 ? 3.834 0.264 -22.438 1.00 15.04 ? 164 THR B O 1 ATOM 2931 C CB . THR B 2 164 ? 3.126 -3.012 -22.442 1.00 15.77 ? 164 THR B CB 1 ATOM 2932 O OG1 . THR B 2 164 ? 4.534 -2.947 -22.236 1.00 15.18 ? 164 THR B OG1 1 ATOM 2933 C CG2 . THR B 2 164 ? 2.705 -4.285 -23.154 1.00 10.92 ? 164 THR B CG2 1 ATOM 2934 N N . ASP B 2 165 ? 2.069 -0.365 -21.175 1.00 16.30 ? 165 ASP B N 1 ATOM 2935 C CA . ASP B 2 165 ? 2.279 0.651 -20.140 1.00 16.13 ? 165 ASP B CA 1 ATOM 2936 C C . ASP B 2 165 ? 3.394 0.064 -19.231 1.00 16.77 ? 165 ASP B C 1 ATOM 2937 O O . ASP B 2 165 ? 3.704 -1.134 -19.322 1.00 15.62 ? 165 ASP B O 1 ATOM 2938 C CB . ASP B 2 165 ? 0.989 0.826 -19.294 1.00 19.05 ? 165 ASP B CB 1 ATOM 2939 C CG . ASP B 2 165 ? -0.163 1.526 -20.018 1.00 42.17 ? 165 ASP B CG 1 ATOM 2940 O OD1 . ASP B 2 165 ? 0.107 2.261 -21.013 1.00 43.95 ? 165 ASP B OD1 1 ATOM 2941 O OD2 . ASP B 2 165 ? -1.334 1.380 -19.564 1.00 50.87 ? 165 ASP B OD2 1 ATOM 2942 N N . GLN B 2 166 ? 3.946 0.879 -18.346 1.00 10.94 ? 166 GLN B N 1 ATOM 2943 C CA . GLN B 2 166 ? 4.999 0.451 -17.439 1.00 10.14 ? 166 GLN B CA 1 ATOM 2944 C C . GLN B 2 166 ? 4.517 -0.711 -16.599 1.00 15.24 ? 166 GLN B C 1 ATOM 2945 O O . GLN B 2 166 ? 3.479 -0.626 -15.969 1.00 14.51 ? 166 GLN B O 1 ATOM 2946 C CB . GLN B 2 166 ? 5.461 1.614 -16.540 1.00 11.29 ? 166 GLN B CB 1 ATOM 2947 C CG . GLN B 2 166 ? 6.646 1.211 -15.673 1.00 10.50 ? 166 GLN B CG 1 ATOM 2948 C CD . GLN B 2 166 ? 7.334 2.391 -15.053 1.00 18.11 ? 166 GLN B CD 1 ATOM 2949 O OE1 . GLN B 2 166 ? 6.690 3.316 -14.530 1.00 12.68 ? 166 GLN B OE1 1 ATOM 2950 N NE2 . GLN B 2 166 ? 8.652 2.359 -15.065 1.00 13.24 ? 166 GLN B NE2 1 ATOM 2951 N N . ASP B 2 167 ? 5.260 -1.807 -16.613 1.00 12.69 ? 167 ASP B N 1 ATOM 2952 C CA . ASP B 2 167 ? 4.878 -2.985 -15.878 1.00 12.84 ? 167 ASP B CA 1 ATOM 2953 C C . ASP B 2 167 ? 4.782 -2.694 -14.375 1.00 17.92 ? 167 ASP B C 1 ATOM 2954 O O . ASP B 2 167 ? 5.648 -2.013 -13.828 1.00 17.14 ? 167 ASP B O 1 ATOM 2955 C CB . ASP B 2 167 ? 5.852 -4.126 -16.183 1.00 14.35 ? 167 ASP B CB 1 ATOM 2956 C CG . ASP B 2 167 ? 5.398 -5.420 -15.565 1.00 27.68 ? 167 ASP B CG 1 ATOM 2957 O OD1 . ASP B 2 167 ? 4.363 -5.947 -16.005 1.00 29.60 ? 167 ASP B OD1 1 ATOM 2958 O OD2 . ASP B 2 167 ? 5.989 -5.827 -14.548 1.00 30.78 ? 167 ASP B OD2 1 ATOM 2959 N N . SER B 2 168 ? 3.685 -3.166 -13.729 1.00 15.46 ? 168 SER B N 1 ATOM 2960 C CA . SER B 2 168 ? 3.409 -2.973 -12.298 1.00 17.33 ? 168 SER B CA 1 ATOM 2961 C C . SER B 2 168 ? 4.446 -3.591 -11.382 1.00 23.38 ? 168 SER B C 1 ATOM 2962 O O . SER B 2 168 ? 4.629 -3.096 -10.274 1.00 24.08 ? 168 SER B O 1 ATOM 2963 C CB . SER B 2 168 ? 2.045 -3.568 -11.942 1.00 19.69 ? 168 SER B CB 1 ATOM 2964 O OG . SER B 2 168 ? 1.071 -2.713 -12.501 1.00 29.95 ? 168 SER B OG 1 ATOM 2965 N N . LYS B 2 169 ? 5.049 -4.709 -11.800 1.00 21.04 ? 169 LYS B N 1 ATOM 2966 C CA . LYS B 2 169 ? 5.993 -5.448 -10.982 1.00 22.35 ? 169 LYS B CA 1 ATOM 2967 C C . LYS B 2 169 ? 7.458 -5.100 -11.238 1.00 27.22 ? 169 LYS B C 1 ATOM 2968 O O . LYS B 2 169 ? 8.166 -4.755 -10.286 1.00 28.73 ? 169 LYS B O 1 ATOM 2969 C CB . LYS B 2 169 ? 5.751 -6.960 -11.127 1.00 25.80 ? 169 LYS B CB 1 ATOM 2970 C CG . LYS B 2 169 ? 6.310 -7.775 -9.963 1.00 50.03 ? 169 LYS B CG 1 ATOM 2971 C CD . LYS B 2 169 ? 6.007 -9.271 -10.095 1.00 59.25 ? 169 LYS B CD 1 ATOM 2972 C CE . LYS B 2 169 ? 7.057 -10.149 -9.441 1.00 65.92 ? 169 LYS B CE 1 ATOM 2973 N NZ . LYS B 2 169 ? 7.083 -10.013 -7.959 1.00 70.44 ? 169 LYS B NZ 1 ATOM 2974 N N . ASP B 2 170 ? 7.937 -5.212 -12.488 1.00 20.67 ? 170 ASP B N 1 ATOM 2975 C CA . ASP B 2 170 ? 9.352 -4.966 -12.727 1.00 17.73 ? 170 ASP B CA 1 ATOM 2976 C C . ASP B 2 170 ? 9.649 -3.555 -13.313 1.00 15.47 ? 170 ASP B C 1 ATOM 2977 O O . ASP B 2 170 ? 10.807 -3.244 -13.573 1.00 14.37 ? 170 ASP B O 1 ATOM 2978 C CB . ASP B 2 170 ? 9.962 -6.102 -13.562 1.00 19.33 ? 170 ASP B CB 1 ATOM 2979 C CG . ASP B 2 170 ? 9.581 -6.142 -15.039 1.00 25.61 ? 170 ASP B CG 1 ATOM 2980 O OD1 . ASP B 2 170 ? 8.778 -5.287 -15.474 1.00 20.32 ? 170 ASP B OD1 1 ATOM 2981 O OD2 . ASP B 2 170 ? 10.110 -7.015 -15.765 1.00 34.36 ? 170 ASP B OD2 1 ATOM 2982 N N . SER B 2 171 ? 8.616 -2.725 -13.544 1.00 9.52 ? 171 SER B N 1 ATOM 2983 C CA . SER B 2 171 ? 8.783 -1.336 -14.014 1.00 9.22 ? 171 SER B CA 1 ATOM 2984 C C . SER B 2 171 ? 9.398 -1.211 -15.415 1.00 12.77 ? 171 SER B C 1 ATOM 2985 O O . SER B 2 171 ? 9.880 -0.139 -15.773 1.00 12.54 ? 171 SER B O 1 ATOM 2986 C CB . SER B 2 171 ? 9.561 -0.488 -12.995 1.00 12.58 ? 171 SER B CB 1 ATOM 2987 O OG . SER B 2 171 ? 9.106 -0.792 -11.689 1.00 14.35 ? 171 SER B OG 1 ATOM 2988 N N . THR B 2 172 ? 9.338 -2.289 -16.228 1.00 9.61 ? 172 THR B N 1 ATOM 2989 C CA . THR B 2 172 ? 9.854 -2.213 -17.588 1.00 9.25 ? 172 THR B CA 1 ATOM 2990 C C . THR B 2 172 ? 8.714 -1.864 -18.563 1.00 11.98 ? 172 THR B C 1 ATOM 2991 O O . THR B 2 172 ? 7.533 -1.810 -18.193 1.00 11.31 ? 172 THR B O 1 ATOM 2992 C CB . THR B 2 172 ? 10.560 -3.517 -17.981 1.00 13.11 ? 172 THR B CB 1 ATOM 2993 O OG1 . THR B 2 172 ? 9.614 -4.608 -18.023 1.00 10.86 ? 172 THR B OG1 1 ATOM 2994 C CG2 . THR B 2 172 ? 11.758 -3.839 -17.069 1.00 14.48 ? 172 THR B CG2 1 ATOM 2995 N N . TYR B 2 173 ? 9.091 -1.719 -19.825 1.00 9.06 ? 173 TYR B N 1 ATOM 2996 C CA . TYR B 2 173 ? 8.205 -1.436 -20.929 1.00 7.65 ? 173 TYR B CA 1 ATOM 2997 C C . TYR B 2 173 ? 8.472 -2.503 -21.951 1.00 10.54 ? 173 TYR B C 1 ATOM 2998 O O . TYR B 2 173 ? 9.578 -3.044 -21.994 1.00 9.94 ? 173 TYR B O 1 ATOM 2999 C CB . TYR B 2 173 ? 8.582 -0.076 -21.533 1.00 8.75 ? 173 TYR B CB 1 ATOM 3000 C CG . TYR B 2 173 ? 8.291 1.078 -20.593 1.00 9.36 ? 173 TYR B CG 1 ATOM 3001 C CD1 . TYR B 2 173 ? 7.040 1.690 -20.580 1.00 9.75 ? 173 TYR B CD1 1 ATOM 3002 C CD2 . TYR B 2 173 ? 9.270 1.563 -19.723 1.00 9.85 ? 173 TYR B CD2 1 ATOM 3003 C CE1 . TYR B 2 173 ? 6.760 2.743 -19.715 1.00 9.79 ? 173 TYR B CE1 1 ATOM 3004 C CE2 . TYR B 2 173 ? 8.993 2.599 -18.824 1.00 10.35 ? 173 TYR B CE2 1 ATOM 3005 C CZ . TYR B 2 173 ? 7.742 3.202 -18.846 1.00 17.11 ? 173 TYR B CZ 1 ATOM 3006 O OH . TYR B 2 173 ? 7.422 4.244 -18.015 1.00 19.25 ? 173 TYR B OH 1 ATOM 3007 N N . SER B 2 174 ? 7.479 -2.786 -22.794 1.00 8.02 ? 174 SER B N 1 ATOM 3008 C CA . SER B 2 174 ? 7.615 -3.692 -23.924 1.00 7.60 ? 174 SER B CA 1 ATOM 3009 C C . SER B 2 174 ? 6.932 -3.082 -25.155 1.00 11.87 ? 174 SER B C 1 ATOM 3010 O O . SER B 2 174 ? 6.066 -2.212 -25.033 1.00 10.88 ? 174 SER B O 1 ATOM 3011 C CB . SER B 2 174 ? 7.088 -5.087 -23.595 1.00 8.42 ? 174 SER B CB 1 ATOM 3012 O OG . SER B 2 174 ? 7.829 -5.680 -22.536 1.00 10.68 ? 174 SER B OG 1 ATOM 3013 N N . MET B 2 175 ? 7.322 -3.567 -26.330 1.00 8.99 ? 175 MET B N 1 ATOM 3014 C CA . MET B 2 175 ? 6.831 -3.100 -27.601 1.00 9.34 ? 175 MET B CA 1 ATOM 3015 C C . MET B 2 175 ? 6.715 -4.253 -28.598 1.00 12.91 ? 175 MET B C 1 ATOM 3016 O O . MET B 2 175 ? 7.531 -5.186 -28.590 1.00 13.49 ? 175 MET B O 1 ATOM 3017 C CB . MET B 2 175 ? 7.833 -2.068 -28.146 1.00 11.93 ? 175 MET B CB 1 ATOM 3018 C CG . MET B 2 175 ? 7.329 -1.319 -29.343 1.00 16.49 ? 175 MET B CG 1 ATOM 3019 S SD . MET B 2 175 ? 8.659 -0.366 -30.099 1.00 19.41 ? 175 MET B SD 1 ATOM 3020 C CE . MET B 2 175 ? 7.929 -0.134 -31.715 1.00 16.06 ? 175 MET B CE 1 ATOM 3021 N N . SER B 2 176 ? 5.728 -4.133 -29.495 1.00 8.67 ? 176 SER B N 1 ATOM 3022 C CA . SER B 2 176 ? 5.505 -5.075 -30.577 1.00 9.21 ? 176 SER B CA 1 ATOM 3023 C C . SER B 2 176 ? 5.464 -4.307 -31.892 1.00 12.21 ? 176 SER B C 1 ATOM 3024 O O . SER B 2 176 ? 4.741 -3.311 -32.001 1.00 12.03 ? 176 SER B O 1 ATOM 3025 C CB . SER B 2 176 ? 4.193 -5.814 -30.367 1.00 11.45 ? 176 SER B CB 1 ATOM 3026 O OG . SER B 2 176 ? 3.930 -6.657 -31.473 1.00 16.25 ? 176 SER B OG 1 ATOM 3027 N N . SER B 2 177 ? 6.207 -4.792 -32.904 1.00 9.33 ? 177 SER B N 1 ATOM 3028 C CA . SER B 2 177 ? 6.210 -4.132 -34.197 1.00 8.11 ? 177 SER B CA 1 ATOM 3029 C C . SER B 2 177 ? 5.879 -5.163 -35.263 1.00 14.70 ? 177 SER B C 1 ATOM 3030 O O . SER B 2 177 ? 6.536 -6.210 -35.344 1.00 13.90 ? 177 SER B O 1 ATOM 3031 C CB . SER B 2 177 ? 7.556 -3.457 -34.451 1.00 12.99 ? 177 SER B CB 1 ATOM 3032 O OG . SER B 2 177 ? 7.513 -2.701 -35.654 1.00 23.09 ? 177 SER B OG 1 ATOM 3033 N N . THR B 2 178 ? 4.799 -4.901 -36.029 1.00 12.54 ? 178 THR B N 1 ATOM 3034 C CA . THR B 2 178 ? 4.349 -5.811 -37.079 1.00 13.33 ? 178 THR B CA 1 ATOM 3035 C C . THR B 2 178 ? 4.449 -5.166 -38.457 1.00 17.08 ? 178 THR B C 1 ATOM 3036 O O . THR B 2 178 ? 3.814 -4.144 -38.734 1.00 15.95 ? 178 THR B O 1 ATOM 3037 C CB . THR B 2 178 ? 2.942 -6.369 -36.821 1.00 16.10 ? 178 THR B CB 1 ATOM 3038 O OG1 . THR B 2 178 ? 2.882 -6.966 -35.521 1.00 18.77 ? 178 THR B OG1 1 ATOM 3039 C CG2 . THR B 2 178 ? 2.567 -7.449 -37.846 1.00 14.95 ? 178 THR B CG2 1 ATOM 3040 N N . LEU B 2 179 ? 5.214 -5.806 -39.322 1.00 15.66 ? 179 LEU B N 1 ATOM 3041 C CA . LEU B 2 179 ? 5.368 -5.362 -40.706 1.00 15.75 ? 179 LEU B CA 1 ATOM 3042 C C . LEU B 2 179 ? 4.445 -6.250 -41.551 1.00 19.70 ? 179 LEU B C 1 ATOM 3043 O O . LEU B 2 179 ? 4.717 -7.445 -41.648 1.00 18.10 ? 179 LEU B O 1 ATOM 3044 C CB . LEU B 2 179 ? 6.847 -5.518 -41.149 1.00 15.39 ? 179 LEU B CB 1 ATOM 3045 C CG . LEU B 2 179 ? 7.129 -5.291 -42.646 1.00 20.60 ? 179 LEU B CG 1 ATOM 3046 C CD1 . LEU B 2 179 ? 6.643 -3.908 -43.115 1.00 19.51 ? 179 LEU B CD1 1 ATOM 3047 C CD2 . LEU B 2 179 ? 8.594 -5.505 -42.947 1.00 22.23 ? 179 LEU B CD2 1 ATOM 3048 N N . THR B 2 180 ? 3.381 -5.675 -42.168 1.00 17.33 ? 180 THR B N 1 ATOM 3049 C CA . THR B 2 180 ? 2.456 -6.469 -42.979 1.00 18.25 ? 180 THR B CA 1 ATOM 3050 C C . THR B 2 180 ? 2.593 -6.176 -44.489 1.00 22.65 ? 180 THR B C 1 ATOM 3051 O O . THR B 2 180 ? 2.416 -5.038 -44.946 1.00 22.64 ? 180 THR B O 1 ATOM 3052 C CB . THR B 2 180 ? 0.981 -6.379 -42.507 1.00 23.85 ? 180 THR B CB 1 ATOM 3053 O OG1 . THR B 2 180 ? 0.856 -6.913 -41.184 1.00 19.78 ? 180 THR B OG1 1 ATOM 3054 C CG2 . THR B 2 180 ? 0.026 -7.157 -43.424 1.00 22.44 ? 180 THR B CG2 1 ATOM 3055 N N . LEU B 2 181 ? 2.850 -7.240 -45.245 1.00 20.64 ? 181 LEU B N 1 ATOM 3056 C CA . LEU B 2 181 ? 2.934 -7.209 -46.712 1.00 20.80 ? 181 LEU B CA 1 ATOM 3057 C C . LEU B 2 181 ? 1.971 -8.243 -47.289 1.00 25.08 ? 181 LEU B C 1 ATOM 3058 O O . LEU B 2 181 ? 1.476 -9.125 -46.557 1.00 23.89 ? 181 LEU B O 1 ATOM 3059 C CB . LEU B 2 181 ? 4.366 -7.558 -47.183 1.00 21.29 ? 181 LEU B CB 1 ATOM 3060 C CG . LEU B 2 181 ? 5.541 -6.767 -46.604 1.00 26.08 ? 181 LEU B CG 1 ATOM 3061 C CD1 . LEU B 2 181 ? 6.863 -7.473 -46.865 1.00 26.04 ? 181 LEU B CD1 1 ATOM 3062 C CD2 . LEU B 2 181 ? 5.581 -5.386 -47.148 1.00 26.70 ? 181 LEU B CD2 1 ATOM 3063 N N . THR B 2 182 ? 1.744 -8.188 -48.626 1.00 22.31 ? 182 THR B N 1 ATOM 3064 C CA . THR B 2 182 ? 1.000 -9.256 -49.308 1.00 21.66 ? 182 THR B CA 1 ATOM 3065 C C . THR B 2 182 ? 2.024 -10.391 -49.425 1.00 25.28 ? 182 THR B C 1 ATOM 3066 O O . THR B 2 182 ? 3.228 -10.123 -49.337 1.00 25.61 ? 182 THR B O 1 ATOM 3067 C CB . THR B 2 182 ? 0.536 -8.800 -50.708 1.00 28.35 ? 182 THR B CB 1 ATOM 3068 O OG1 . THR B 2 182 ? 1.683 -8.451 -51.485 1.00 26.30 ? 182 THR B OG1 1 ATOM 3069 C CG2 . THR B 2 182 ? -0.419 -7.619 -50.660 1.00 24.33 ? 182 THR B CG2 1 ATOM 3070 N N . LYS B 2 183 ? 1.579 -11.650 -49.605 1.00 22.41 ? 183 LYS B N 1 ATOM 3071 C CA . LYS B 2 183 ? 2.496 -12.780 -49.799 1.00 22.95 ? 183 LYS B CA 1 ATOM 3072 C C . LYS B 2 183 ? 3.397 -12.494 -51.041 1.00 28.59 ? 183 LYS B C 1 ATOM 3073 O O . LYS B 2 183 ? 4.590 -12.748 -50.989 1.00 27.46 ? 183 LYS B O 1 ATOM 3074 C CB . LYS B 2 183 ? 1.696 -14.097 -49.968 1.00 24.67 ? 183 LYS B CB 1 ATOM 3075 C CG . LYS B 2 183 ? 2.513 -15.312 -50.430 1.00 30.92 ? 183 LYS B CG 1 ATOM 3076 C CD . LYS B 2 183 ? 1.697 -16.607 -50.589 1.00 41.57 ? 183 LYS B CD 1 ATOM 3077 C CE . LYS B 2 183 ? 0.421 -16.508 -51.414 1.00 61.54 ? 183 LYS B CE 1 ATOM 3078 N NZ . LYS B 2 183 ? 0.654 -16.080 -52.826 1.00 71.10 ? 183 LYS B NZ 1 ATOM 3079 N N . ASP B 2 184 ? 2.826 -11.913 -52.113 1.00 28.91 ? 184 ASP B N 1 ATOM 3080 C CA . ASP B 2 184 ? 3.565 -11.588 -53.342 1.00 29.94 ? 184 ASP B CA 1 ATOM 3081 C C . ASP B 2 184 ? 4.672 -10.584 -53.089 1.00 32.01 ? 184 ASP B C 1 ATOM 3082 O O . ASP B 2 184 ? 5.805 -10.817 -53.513 1.00 31.21 ? 184 ASP B O 1 ATOM 3083 C CB . ASP B 2 184 ? 2.620 -11.127 -54.478 1.00 32.63 ? 184 ASP B CB 1 ATOM 3084 C CG . ASP B 2 184 ? 1.694 -12.225 -55.005 1.00 49.83 ? 184 ASP B CG 1 ATOM 3085 O OD1 . ASP B 2 184 ? 2.085 -13.419 -54.945 1.00 51.26 ? 184 ASP B OD1 1 ATOM 3086 O OD2 . ASP B 2 184 ? 0.581 -11.889 -55.481 1.00 56.29 ? 184 ASP B OD2 1 ATOM 3087 N N . GLU B 2 185 ? 4.369 -9.504 -52.343 1.00 27.56 ? 185 GLU B N 1 ATOM 3088 C CA . GLU B 2 185 ? 5.363 -8.488 -51.979 1.00 26.54 ? 185 GLU B CA 1 ATOM 3089 C C . GLU B 2 185 ? 6.452 -9.085 -51.065 1.00 27.68 ? 185 GLU B C 1 ATOM 3090 O O . GLU B 2 185 ? 7.632 -8.798 -51.253 1.00 28.38 ? 185 GLU B O 1 ATOM 3091 C CB . GLU B 2 185 ? 4.680 -7.247 -51.375 1.00 28.12 ? 185 GLU B CB 1 ATOM 3092 C CG . GLU B 2 185 ? 5.596 -6.085 -51.005 1.00 42.25 ? 185 GLU B CG 1 ATOM 3093 C CD . GLU B 2 185 ? 6.367 -5.394 -52.119 1.00 68.90 ? 185 GLU B CD 1 ATOM 3094 O OE1 . GLU B 2 185 ? 5.888 -5.393 -53.277 1.00 76.74 ? 185 GLU B OE1 1 ATOM 3095 O OE2 . GLU B 2 185 ? 7.434 -4.810 -51.817 1.00 53.39 ? 185 GLU B OE2 1 ATOM 3096 N N . TYR B 2 186 ? 6.065 -9.954 -50.127 1.00 22.29 ? 186 TYR B N 1 ATOM 3097 C CA . TYR B 2 186 ? 6.983 -10.640 -49.217 1.00 21.45 ? 186 TYR B CA 1 ATOM 3098 C C . TYR B 2 186 ? 7.990 -11.536 -49.983 1.00 30.37 ? 186 TYR B C 1 ATOM 3099 O O . TYR B 2 186 ? 9.156 -11.639 -49.596 1.00 30.18 ? 186 TYR B O 1 ATOM 3100 C CB . TYR B 2 186 ? 6.169 -11.504 -48.250 1.00 21.27 ? 186 TYR B CB 1 ATOM 3101 C CG . TYR B 2 186 ? 6.983 -12.376 -47.322 1.00 20.02 ? 186 TYR B CG 1 ATOM 3102 C CD1 . TYR B 2 186 ? 7.809 -11.815 -46.351 1.00 20.46 ? 186 TYR B CD1 1 ATOM 3103 C CD2 . TYR B 2 186 ? 6.919 -13.764 -47.403 1.00 20.35 ? 186 TYR B CD2 1 ATOM 3104 C CE1 . TYR B 2 186 ? 8.576 -12.612 -45.508 1.00 20.07 ? 186 TYR B CE1 1 ATOM 3105 C CE2 . TYR B 2 186 ? 7.697 -14.573 -46.578 1.00 20.45 ? 186 TYR B CE2 1 ATOM 3106 C CZ . TYR B 2 186 ? 8.520 -13.987 -45.626 1.00 25.27 ? 186 TYR B CZ 1 ATOM 3107 O OH . TYR B 2 186 ? 9.246 -14.750 -44.758 1.00 21.33 ? 186 TYR B OH 1 ATOM 3108 N N . GLU B 2 187 ? 7.515 -12.213 -51.047 1.00 28.19 ? 187 GLU B N 1 ATOM 3109 C CA . GLU B 2 187 ? 8.342 -13.117 -51.846 1.00 28.32 ? 187 GLU B CA 1 ATOM 3110 C C . GLU B 2 187 ? 9.262 -12.382 -52.833 1.00 35.55 ? 187 GLU B C 1 ATOM 3111 O O . GLU B 2 187 ? 10.076 -13.027 -53.500 1.00 38.15 ? 187 GLU B O 1 ATOM 3112 C CB . GLU B 2 187 ? 7.464 -14.171 -52.538 1.00 29.29 ? 187 GLU B CB 1 ATOM 3113 C CG . GLU B 2 187 ? 6.962 -15.248 -51.585 1.00 37.09 ? 187 GLU B CG 1 ATOM 3114 C CD . GLU B 2 187 ? 6.061 -16.304 -52.202 1.00 68.20 ? 187 GLU B CD 1 ATOM 3115 O OE1 . GLU B 2 187 ? 5.816 -17.334 -51.532 1.00 64.02 ? 187 GLU B OE1 1 ATOM 3116 O OE2 . GLU B 2 187 ? 5.610 -16.112 -53.356 1.00 66.08 ? 187 GLU B OE2 1 ATOM 3117 N N . ARG B 2 188 ? 9.156 -11.041 -52.912 1.00 31.10 ? 188 ARG B N 1 ATOM 3118 C CA . ARG B 2 188 ? 9.990 -10.210 -53.781 1.00 30.90 ? 188 ARG B CA 1 ATOM 3119 C C . ARG B 2 188 ? 11.265 -9.752 -53.067 1.00 34.99 ? 188 ARG B C 1 ATOM 3120 O O . ARG B 2 188 ? 12.059 -9.004 -53.641 1.00 35.39 ? 188 ARG B O 1 ATOM 3121 C CB . ARG B 2 188 ? 9.192 -9.002 -54.299 1.00 31.75 ? 188 ARG B CB 1 ATOM 3122 C CG . ARG B 2 188 ? 8.303 -9.333 -55.485 1.00 42.33 ? 188 ARG B CG 1 ATOM 3123 C CD . ARG B 2 188 ? 7.602 -8.104 -56.017 1.00 57.20 ? 188 ARG B CD 1 ATOM 3124 N NE . ARG B 2 188 ? 6.198 -8.075 -55.608 1.00 76.77 ? 188 ARG B NE 1 ATOM 3125 C CZ . ARG B 2 188 ? 5.301 -7.190 -56.038 1.00 93.71 ? 188 ARG B CZ 1 ATOM 3126 N NH1 . ARG B 2 188 ? 5.650 -6.247 -56.906 1.00 83.18 ? 188 ARG B NH1 1 ATOM 3127 N NH2 . ARG B 2 188 ? 4.048 -7.247 -55.609 1.00 80.22 ? 188 ARG B NH2 1 ATOM 3128 N N . HIS B 2 189 ? 11.454 -10.179 -51.801 1.00 30.94 ? 189 HIS B N 1 ATOM 3129 C CA . HIS B 2 189 ? 12.603 -9.766 -50.997 1.00 29.80 ? 189 HIS B CA 1 ATOM 3130 C C . HIS B 2 189 ? 13.160 -10.901 -50.177 1.00 28.26 ? 189 HIS B C 1 ATOM 3131 O O . HIS B 2 189 ? 12.445 -11.831 -49.857 1.00 27.69 ? 189 HIS B O 1 ATOM 3132 C CB . HIS B 2 189 ? 12.212 -8.629 -50.055 1.00 31.28 ? 189 HIS B CB 1 ATOM 3133 C CG . HIS B 2 189 ? 11.408 -7.531 -50.679 1.00 35.22 ? 189 HIS B CG 1 ATOM 3134 N ND1 . HIS B 2 189 ? 12.002 -6.555 -51.445 1.00 37.29 ? 189 HIS B ND1 1 ATOM 3135 C CD2 . HIS B 2 189 ? 10.099 -7.234 -50.534 1.00 37.23 ? 189 HIS B CD2 1 ATOM 3136 C CE1 . HIS B 2 189 ? 11.035 -5.717 -51.776 1.00 36.78 ? 189 HIS B CE1 1 ATOM 3137 N NE2 . HIS B 2 189 ? 9.873 -6.084 -51.247 1.00 37.16 ? 189 HIS B NE2 1 ATOM 3138 N N . ASN B 2 190 ? 14.417 -10.797 -49.771 1.00 22.59 ? 190 ASN B N 1 ATOM 3139 C CA . ASN B 2 190 ? 15.032 -11.856 -48.999 1.00 22.29 ? 190 ASN B CA 1 ATOM 3140 C C . ASN B 2 190 ? 15.227 -11.544 -47.504 1.00 27.72 ? 190 ASN B C 1 ATOM 3141 O O . ASN B 2 190 ? 14.606 -12.186 -46.660 1.00 28.11 ? 190 ASN B O 1 ATOM 3142 C CB . ASN B 2 190 ? 16.355 -12.248 -49.649 1.00 23.75 ? 190 ASN B CB 1 ATOM 3143 C CG . ASN B 2 190 ? 16.963 -13.484 -49.076 1.00 29.48 ? 190 ASN B CG 1 ATOM 3144 O OD1 . ASN B 2 190 ? 16.275 -14.456 -48.746 1.00 25.17 ? 190 ASN B OD1 1 ATOM 3145 N ND2 . ASN B 2 190 ? 18.276 -13.501 -49.050 1.00 23.91 ? 190 ASN B ND2 1 ATOM 3146 N N . SER B 2 191 ? 16.106 -10.592 -47.188 1.00 23.47 ? 191 SER B N 1 ATOM 3147 C CA . SER B 2 191 ? 16.479 -10.229 -45.822 1.00 23.54 ? 191 SER B CA 1 ATOM 3148 C C . SER B 2 191 ? 15.432 -9.340 -45.139 1.00 23.29 ? 191 SER B C 1 ATOM 3149 O O . SER B 2 191 ? 15.063 -8.300 -45.689 1.00 21.87 ? 191 SER B O 1 ATOM 3150 C CB . SER B 2 191 ? 17.850 -9.549 -45.827 1.00 27.22 ? 191 SER B CB 1 ATOM 3151 O OG . SER B 2 191 ? 18.436 -9.645 -44.542 1.00 42.53 ? 191 SER B OG 1 ATOM 3152 N N . TYR B 2 192 ? 14.945 -9.766 -43.945 1.00 18.79 ? 192 TYR B N 1 ATOM 3153 C CA . TYR B 2 192 ? 13.961 -9.016 -43.144 1.00 18.17 ? 192 TYR B CA 1 ATOM 3154 C C . TYR B 2 192 ? 14.610 -8.748 -41.814 1.00 20.12 ? 192 TYR B C 1 ATOM 3155 O O . TYR B 2 192 ? 15.046 -9.698 -41.165 1.00 16.50 ? 192 TYR B O 1 ATOM 3156 C CB . TYR B 2 192 ? 12.631 -9.798 -42.973 1.00 19.07 ? 192 TYR B CB 1 ATOM 3157 C CG . TYR B 2 192 ? 11.836 -9.816 -44.252 1.00 20.20 ? 192 TYR B CG 1 ATOM 3158 C CD1 . TYR B 2 192 ? 12.055 -10.801 -45.217 1.00 22.59 ? 192 TYR B CD1 1 ATOM 3159 C CD2 . TYR B 2 192 ? 10.991 -8.764 -44.580 1.00 19.97 ? 192 TYR B CD2 1 ATOM 3160 C CE1 . TYR B 2 192 ? 11.386 -10.777 -46.440 1.00 21.94 ? 192 TYR B CE1 1 ATOM 3161 C CE2 . TYR B 2 192 ? 10.334 -8.718 -45.806 1.00 21.38 ? 192 TYR B CE2 1 ATOM 3162 C CZ . TYR B 2 192 ? 10.543 -9.723 -46.737 1.00 25.63 ? 192 TYR B CZ 1 ATOM 3163 O OH . TYR B 2 192 ? 9.876 -9.695 -47.932 1.00 21.04 ? 192 TYR B OH 1 ATOM 3164 N N . THR B 2 193 ? 14.732 -7.452 -41.447 1.00 17.95 ? 193 THR B N 1 ATOM 3165 C CA . THR B 2 193 ? 15.416 -7.030 -40.224 1.00 18.45 ? 193 THR B CA 1 ATOM 3166 C C . THR B 2 193 ? 14.612 -6.019 -39.416 1.00 22.05 ? 193 THR B C 1 ATOM 3167 O O . THR B 2 193 ? 14.024 -5.091 -39.987 1.00 19.87 ? 193 THR B O 1 ATOM 3168 C CB . THR B 2 193 ? 16.811 -6.409 -40.611 1.00 26.27 ? 193 THR B CB 1 ATOM 3169 O OG1 . THR B 2 193 ? 17.565 -7.362 -41.350 1.00 28.66 ? 193 THR B OG1 1 ATOM 3170 C CG2 . THR B 2 193 ? 17.650 -5.990 -39.400 1.00 23.20 ? 193 THR B CG2 1 ATOM 3171 N N . CYS B 2 194 ? 14.609 -6.177 -38.078 1.00 21.73 ? 194 CYS B N 1 ATOM 3172 C CA . CYS B 2 194 ? 14.054 -5.130 -37.202 1.00 22.92 ? 194 CYS B CA 1 ATOM 3173 C C . CYS B 2 194 ? 15.249 -4.700 -36.342 1.00 22.67 ? 194 CYS B C 1 ATOM 3174 O O . CYS B 2 194 ? 15.975 -5.546 -35.823 1.00 17.75 ? 194 CYS B O 1 ATOM 3175 C CB . CYS B 2 194 ? 12.842 -5.564 -36.366 1.00 25.18 ? 194 CYS B CB 1 ATOM 3176 S SG . CYS B 2 194 ? 13.152 -6.953 -35.252 1.00 30.08 ? 194 CYS B SG 1 ATOM 3177 N N . GLU B 2 195 ? 15.532 -3.403 -36.337 1.00 20.86 ? 195 GLU B N 1 ATOM 3178 C CA . GLU B 2 195 ? 16.685 -2.878 -35.603 1.00 22.48 ? 195 GLU B CA 1 ATOM 3179 C C . GLU B 2 195 ? 16.161 -1.988 -34.487 1.00 24.93 ? 195 GLU B C 1 ATOM 3180 O O . GLU B 2 195 ? 15.396 -1.064 -34.764 1.00 23.34 ? 195 GLU B O 1 ATOM 3181 C CB . GLU B 2 195 ? 17.594 -2.040 -36.531 1.00 24.41 ? 195 GLU B CB 1 ATOM 3182 C CG . GLU B 2 195 ? 18.292 -2.793 -37.648 1.00 38.44 ? 195 GLU B CG 1 ATOM 3183 C CD . GLU B 2 195 ? 19.402 -1.998 -38.322 1.00 60.66 ? 195 GLU B CD 1 ATOM 3184 O OE1 . GLU B 2 195 ? 20.200 -2.616 -39.062 1.00 55.54 ? 195 GLU B OE1 1 ATOM 3185 O OE2 . GLU B 2 195 ? 19.486 -0.766 -38.105 1.00 45.54 ? 195 GLU B OE2 1 ATOM 3186 N N . ALA B 2 196 ? 16.559 -2.264 -33.240 1.00 22.18 ? 196 ALA B N 1 ATOM 3187 C CA . ALA B 2 196 ? 16.095 -1.441 -32.119 1.00 20.87 ? 196 ALA B CA 1 ATOM 3188 C C . ALA B 2 196 ? 17.177 -0.545 -31.552 1.00 23.60 ? 196 ALA B C 1 ATOM 3189 O O . ALA B 2 196 ? 18.217 -1.033 -31.103 1.00 23.57 ? 196 ALA B O 1 ATOM 3190 C CB . ALA B 2 196 ? 15.519 -2.308 -31.031 1.00 21.49 ? 196 ALA B CB 1 ATOM 3191 N N . THR B 2 197 ? 16.919 0.775 -31.556 1.00 20.44 ? 197 THR B N 1 ATOM 3192 C CA . THR B 2 197 ? 17.826 1.778 -30.990 1.00 18.88 ? 197 THR B CA 1 ATOM 3193 C C . THR B 2 197 ? 17.321 2.109 -29.566 1.00 19.05 ? 197 THR B C 1 ATOM 3194 O O . THR B 2 197 ? 16.178 2.530 -29.383 1.00 19.04 ? 197 THR B O 1 ATOM 3195 C CB . THR B 2 197 ? 17.930 2.991 -31.931 1.00 29.21 ? 197 THR B CB 1 ATOM 3196 O OG1 . THR B 2 197 ? 18.433 2.523 -33.180 1.00 35.71 ? 197 THR B OG1 1 ATOM 3197 C CG2 . THR B 2 197 ? 18.858 4.095 -31.385 1.00 27.36 ? 197 THR B CG2 1 ATOM 3198 N N . HIS B 2 198 ? 18.168 1.871 -28.581 1.00 14.37 ? 198 HIS B N 1 ATOM 3199 C CA . HIS B 2 198 ? 17.874 2.114 -27.159 1.00 14.07 ? 198 HIS B CA 1 ATOM 3200 C C . HIS B 2 198 ? 19.146 2.633 -26.504 1.00 18.36 ? 198 HIS B C 1 ATOM 3201 O O . HIS B 2 198 ? 20.250 2.309 -26.949 1.00 18.85 ? 198 HIS B O 1 ATOM 3202 C CB . HIS B 2 198 ? 17.395 0.809 -26.492 1.00 13.00 ? 198 HIS B CB 1 ATOM 3203 C CG . HIS B 2 198 ? 16.773 1.007 -25.148 1.00 13.84 ? 198 HIS B CG 1 ATOM 3204 N ND1 . HIS B 2 198 ? 17.403 0.587 -24.000 1.00 14.24 ? 198 HIS B ND1 1 ATOM 3205 C CD2 . HIS B 2 198 ? 15.588 1.582 -24.817 1.00 13.53 ? 198 HIS B CD2 1 ATOM 3206 C CE1 . HIS B 2 198 ? 16.575 0.881 -23.012 1.00 12.62 ? 198 HIS B CE1 1 ATOM 3207 N NE2 . HIS B 2 198 ? 15.482 1.513 -23.458 1.00 12.57 ? 198 HIS B NE2 1 ATOM 3208 N N . LYS B 2 199 ? 18.998 3.450 -25.471 1.00 15.09 ? 199 LYS B N 1 ATOM 3209 C CA . LYS B 2 199 ? 20.127 4.093 -24.788 1.00 13.94 ? 199 LYS B CA 1 ATOM 3210 C C . LYS B 2 199 ? 21.117 3.099 -24.158 1.00 18.93 ? 199 LYS B C 1 ATOM 3211 O O . LYS B 2 199 ? 22.233 3.490 -23.845 1.00 19.02 ? 199 LYS B O 1 ATOM 3212 C CB . LYS B 2 199 ? 19.625 5.137 -23.772 1.00 16.36 ? 199 LYS B CB 1 ATOM 3213 C CG . LYS B 2 199 ? 19.230 4.596 -22.396 1.00 18.78 ? 199 LYS B CG 1 ATOM 3214 C CD . LYS B 2 199 ? 18.982 5.721 -21.390 1.00 28.24 ? 199 LYS B CD 1 ATOM 3215 C CE . LYS B 2 199 ? 20.206 6.490 -20.944 1.00 27.14 ? 199 LYS B CE 1 ATOM 3216 N NZ . LYS B 2 199 ? 21.099 5.650 -20.121 1.00 23.02 ? 199 LYS B NZ 1 ATOM 3217 N N . THR B 2 200 ? 20.706 1.833 -23.966 1.00 15.22 ? 200 THR B N 1 ATOM 3218 C CA . THR B 2 200 ? 21.527 0.776 -23.380 1.00 16.38 ? 200 THR B CA 1 ATOM 3219 C C . THR B 2 200 ? 22.608 0.269 -24.316 1.00 22.52 ? 200 THR B C 1 ATOM 3220 O O . THR B 2 200 ? 23.483 -0.468 -23.876 1.00 23.67 ? 200 THR B O 1 ATOM 3221 C CB . THR B 2 200 ? 20.672 -0.396 -22.891 1.00 21.53 ? 200 THR B CB 1 ATOM 3222 O OG1 . THR B 2 200 ? 19.825 -0.844 -23.958 1.00 20.70 ? 200 THR B OG1 1 ATOM 3223 C CG2 . THR B 2 200 ? 19.883 -0.054 -21.620 1.00 16.77 ? 200 THR B CG2 1 ATOM 3224 N N . SER B 2 201 ? 22.557 0.644 -25.590 1.00 19.50 ? 201 SER B N 1 ATOM 3225 C CA . SER B 2 201 ? 23.557 0.189 -26.548 1.00 20.61 ? 201 SER B CA 1 ATOM 3226 C C . SER B 2 201 ? 23.948 1.322 -27.480 1.00 20.78 ? 201 SER B C 1 ATOM 3227 O O . SER B 2 201 ? 23.088 2.105 -27.894 1.00 18.61 ? 201 SER B O 1 ATOM 3228 C CB . SER B 2 201 ? 22.999 -0.983 -27.355 1.00 25.98 ? 201 SER B CB 1 ATOM 3229 O OG . SER B 2 201 ? 24.008 -1.543 -28.178 1.00 41.03 ? 201 SER B OG 1 ATOM 3230 N N . THR B 2 202 ? 25.243 1.399 -27.826 1.00 18.55 ? 202 THR B N 1 ATOM 3231 C CA . THR B 2 202 ? 25.725 2.435 -28.743 1.00 19.45 ? 202 THR B CA 1 ATOM 3232 C C . THR B 2 202 ? 25.496 2.001 -30.208 1.00 28.60 ? 202 THR B C 1 ATOM 3233 O O . THR B 2 202 ? 25.606 2.822 -31.131 1.00 29.29 ? 202 THR B O 1 ATOM 3234 C CB . THR B 2 202 ? 27.175 2.813 -28.445 1.00 20.35 ? 202 THR B CB 1 ATOM 3235 O OG1 . THR B 2 202 ? 28.005 1.698 -28.782 1.00 17.58 ? 202 THR B OG1 1 ATOM 3236 C CG2 . THR B 2 202 ? 27.395 3.252 -26.979 1.00 16.38 ? 202 THR B CG2 1 ATOM 3237 N N . SER B 2 203 ? 25.186 0.714 -30.413 1.00 26.62 ? 203 SER B N 1 ATOM 3238 C CA . SER B 2 203 ? 24.886 0.175 -31.743 1.00 28.09 ? 203 SER B CA 1 ATOM 3239 C C . SER B 2 203 ? 23.485 -0.480 -31.704 1.00 34.45 ? 203 SER B C 1 ATOM 3240 O O . SER B 2 203 ? 23.129 -1.048 -30.670 1.00 33.53 ? 203 SER B O 1 ATOM 3241 C CB . SER B 2 203 ? 25.947 -0.835 -32.170 1.00 32.05 ? 203 SER B CB 1 ATOM 3242 O OG . SER B 2 203 ? 25.987 -1.925 -31.261 1.00 44.82 ? 203 SER B OG 1 ATOM 3243 N N . PRO B 2 204 ? 22.675 -0.423 -32.791 1.00 33.21 ? 204 PRO B N 1 ATOM 3244 C CA . PRO B 2 204 ? 21.346 -1.061 -32.745 1.00 32.40 ? 204 PRO B CA 1 ATOM 3245 C C . PRO B 2 204 ? 21.388 -2.545 -32.437 1.00 34.01 ? 204 PRO B C 1 ATOM 3246 O O . PRO B 2 204 ? 22.348 -3.235 -32.788 1.00 33.78 ? 204 PRO B O 1 ATOM 3247 C CB . PRO B 2 204 ? 20.791 -0.841 -34.153 1.00 34.88 ? 204 PRO B CB 1 ATOM 3248 C CG . PRO B 2 204 ? 21.545 0.314 -34.697 1.00 40.36 ? 204 PRO B CG 1 ATOM 3249 C CD . PRO B 2 204 ? 22.921 0.207 -34.105 1.00 35.80 ? 204 PRO B CD 1 ATOM 3250 N N . ILE B 2 205 ? 20.365 -3.024 -31.721 1.00 29.39 ? 205 ILE B N 1 ATOM 3251 C CA . ILE B 2 205 ? 20.162 -4.440 -31.453 1.00 28.93 ? 205 ILE B CA 1 ATOM 3252 C C . ILE B 2 205 ? 19.426 -4.927 -32.733 1.00 29.85 ? 205 ILE B C 1 ATOM 3253 O O . ILE B 2 205 ? 18.427 -4.326 -33.162 1.00 27.78 ? 205 ILE B O 1 ATOM 3254 C CB . ILE B 2 205 ? 19.410 -4.659 -30.120 1.00 33.99 ? 205 ILE B CB 1 ATOM 3255 C CG1 . ILE B 2 205 ? 19.530 -6.099 -29.612 1.00 35.33 ? 205 ILE B CG1 1 ATOM 3256 C CG2 . ILE B 2 205 ? 17.968 -4.204 -30.179 1.00 37.27 ? 205 ILE B CG2 1 ATOM 3257 C CD1 . ILE B 2 205 ? 19.409 -6.200 -28.054 1.00 46.15 ? 205 ILE B CD1 1 ATOM 3258 N N . VAL B 2 206 ? 20.029 -5.895 -33.420 1.00 26.73 ? 206 VAL B N 1 ATOM 3259 C CA . VAL B 2 206 ? 19.575 -6.361 -34.739 1.00 27.18 ? 206 VAL B CA 1 ATOM 3260 C C . VAL B 2 206 ? 19.119 -7.819 -34.671 1.00 29.83 ? 206 VAL B C 1 ATOM 3261 O O . VAL B 2 206 ? 19.846 -8.671 -34.153 1.00 29.10 ? 206 VAL B O 1 ATOM 3262 C CB . VAL B 2 206 ? 20.722 -6.161 -35.785 1.00 31.16 ? 206 VAL B CB 1 ATOM 3263 C CG1 . VAL B 2 206 ? 20.393 -6.808 -37.121 1.00 31.82 ? 206 VAL B CG1 1 ATOM 3264 C CG2 . VAL B 2 206 ? 21.063 -4.685 -35.981 1.00 30.86 ? 206 VAL B CG2 1 ATOM 3265 N N . LYS B 2 207 ? 17.912 -8.086 -35.206 1.00 25.00 ? 207 LYS B N 1 ATOM 3266 C CA . LYS B 2 207 ? 17.306 -9.409 -35.333 1.00 23.85 ? 207 LYS B CA 1 ATOM 3267 C C . LYS B 2 207 ? 16.894 -9.550 -36.799 1.00 23.48 ? 207 LYS B C 1 ATOM 3268 O O . LYS B 2 207 ? 16.273 -8.654 -37.378 1.00 21.94 ? 207 LYS B O 1 ATOM 3269 C CB . LYS B 2 207 ? 16.139 -9.570 -34.356 1.00 26.88 ? 207 LYS B CB 1 ATOM 3270 C CG . LYS B 2 207 ? 16.335 -10.688 -33.355 1.00 34.99 ? 207 LYS B CG 1 ATOM 3271 C CD . LYS B 2 207 ? 17.459 -10.445 -32.388 1.00 38.38 ? 207 LYS B CD 1 ATOM 3272 C CE . LYS B 2 207 ? 17.887 -11.753 -31.770 1.00 47.30 ? 207 LYS B CE 1 ATOM 3273 N NZ . LYS B 2 207 ? 19.023 -11.569 -30.835 1.00 50.51 ? 207 LYS B NZ 1 ATOM 3274 N N . SER B 2 208 ? 17.341 -10.623 -37.433 1.00 21.14 ? 208 SER B N 1 ATOM 3275 C CA . SER B 2 208 ? 17.152 -10.770 -38.874 1.00 21.44 ? 208 SER B CA 1 ATOM 3276 C C . SER B 2 208 ? 16.933 -12.193 -39.326 1.00 25.16 ? 208 SER B C 1 ATOM 3277 O O . SER B 2 208 ? 17.421 -13.132 -38.698 1.00 24.70 ? 208 SER B O 1 ATOM 3278 C CB . SER B 2 208 ? 18.398 -10.232 -39.582 1.00 25.57 ? 208 SER B CB 1 ATOM 3279 O OG . SER B 2 208 ? 18.204 -9.984 -40.966 1.00 37.07 ? 208 SER B OG 1 ATOM 3280 N N . PHE B 2 209 ? 16.235 -12.349 -40.459 1.00 22.20 ? 209 PHE B N 1 ATOM 3281 C CA . PHE B 2 209 ? 16.085 -13.664 -41.093 1.00 21.96 ? 209 PHE B CA 1 ATOM 3282 C C . PHE B 2 209 ? 16.080 -13.462 -42.596 1.00 24.44 ? 209 PHE B C 1 ATOM 3283 O O . PHE B 2 209 ? 15.844 -12.350 -43.061 1.00 23.29 ? 209 PHE B O 1 ATOM 3284 C CB . PHE B 2 209 ? 14.873 -14.470 -40.563 1.00 23.11 ? 209 PHE B CB 1 ATOM 3285 C CG . PHE B 2 209 ? 13.540 -14.025 -41.116 1.00 24.24 ? 209 PHE B CG 1 ATOM 3286 C CD1 . PHE B 2 209 ? 13.031 -14.587 -42.286 1.00 25.11 ? 209 PHE B CD1 1 ATOM 3287 C CD2 . PHE B 2 209 ? 12.803 -13.024 -40.482 1.00 23.92 ? 209 PHE B CD2 1 ATOM 3288 C CE1 . PHE B 2 209 ? 11.825 -14.145 -42.820 1.00 24.98 ? 209 PHE B CE1 1 ATOM 3289 C CE2 . PHE B 2 209 ? 11.603 -12.587 -41.017 1.00 25.66 ? 209 PHE B CE2 1 ATOM 3290 C CZ . PHE B 2 209 ? 11.126 -13.139 -42.188 1.00 24.52 ? 209 PHE B CZ 1 ATOM 3291 N N . ASN B 2 210 ? 16.383 -14.510 -43.354 1.00 23.92 ? 210 ASN B N 1 ATOM 3292 C CA . ASN B 2 210 ? 16.342 -14.449 -44.810 1.00 23.86 ? 210 ASN B CA 1 ATOM 3293 C C . ASN B 2 210 ? 15.216 -15.381 -45.242 1.00 24.30 ? 210 ASN B C 1 ATOM 3294 O O . ASN B 2 210 ? 15.195 -16.539 -44.822 1.00 22.99 ? 210 ASN B O 1 ATOM 3295 C CB . ASN B 2 210 ? 17.681 -14.915 -45.429 1.00 25.63 ? 210 ASN B CB 1 ATOM 3296 C CG . ASN B 2 210 ? 18.836 -13.953 -45.256 1.00 30.61 ? 210 ASN B CG 1 ATOM 3297 O OD1 . ASN B 2 210 ? 18.695 -12.731 -45.318 1.00 25.60 ? 210 ASN B OD1 1 ATOM 3298 N ND2 . ASN B 2 210 ? 20.017 -14.487 -45.099 1.00 28.99 ? 210 ASN B ND2 1 ATOM 3299 N N . ARG B 2 211 ? 14.264 -14.861 -46.034 1.00 20.56 ? 211 ARG B N 1 ATOM 3300 C CA . ARG B 2 211 ? 13.114 -15.616 -46.558 1.00 20.73 ? 211 ARG B CA 1 ATOM 3301 C C . ARG B 2 211 ? 13.572 -16.902 -47.304 1.00 25.93 ? 211 ARG B C 1 ATOM 3302 O O . ARG B 2 211 ? 13.014 -17.965 -47.054 1.00 26.56 ? 211 ARG B O 1 ATOM 3303 C CB . ARG B 2 211 ? 12.253 -14.722 -47.451 1.00 20.72 ? 211 ARG B CB 1 ATOM 3304 C CG . ARG B 2 211 ? 11.004 -15.416 -48.017 1.00 28.44 ? 211 ARG B CG 1 ATOM 3305 C CD . ARG B 2 211 ? 10.305 -14.602 -49.077 1.00 32.43 ? 211 ARG B CD 1 ATOM 3306 N NE . ARG B 2 211 ? 11.221 -14.156 -50.132 1.00 32.04 ? 211 ARG B NE 1 ATOM 3307 C CZ . ARG B 2 211 ? 11.515 -14.847 -51.227 1.00 37.08 ? 211 ARG B CZ 1 ATOM 3308 N NH1 . ARG B 2 211 ? 10.925 -16.010 -51.464 1.00 23.12 ? 211 ARG B NH1 1 ATOM 3309 N NH2 . ARG B 2 211 ? 12.374 -14.361 -52.113 1.00 26.49 ? 211 ARG B NH2 1 ATOM 3310 N N . ASN B 2 212 ? 14.619 -16.799 -48.166 1.00 24.08 ? 212 ASN B N 1 ATOM 3311 C CA . ASN B 2 212 ? 15.190 -17.924 -48.924 1.00 28.74 ? 212 ASN B CA 1 ATOM 3312 C C . ASN B 2 212 ? 16.171 -18.719 -48.073 1.00 59.27 ? 212 ASN B C 1 ATOM 3313 O O . ASN B 2 212 ? 16.582 -19.808 -48.475 1.00 36.13 ? 212 ASN B O 1 ATOM 3314 C CB . ASN B 2 212 ? 15.859 -17.431 -50.230 1.00 24.91 ? 212 ASN B CB 1 ATOM 3315 C CG . ASN B 2 212 ? 14.884 -17.054 -51.327 1.00 38.68 ? 212 ASN B CG 1 ATOM 3316 O OD1 . ASN B 2 212 ? 13.937 -17.788 -51.637 1.00 32.48 ? 212 ASN B OD1 1 ATOM 3317 N ND2 . ASN B 2 212 ? 15.110 -15.919 -51.974 1.00 27.64 ? 212 ASN B ND2 1 ATOM 3318 N N . ASP C 3 1 ? -35.367 56.761 -0.049 1.00 47.87 ? 87 ASP C N 1 ATOM 3319 C CA . ASP C 3 1 ? -35.003 57.039 -1.439 1.00 47.40 ? 87 ASP C CA 1 ATOM 3320 C C . ASP C 3 1 ? -33.623 56.499 -1.758 1.00 49.55 ? 87 ASP C C 1 ATOM 3321 O O . ASP C 3 1 ? -33.470 55.806 -2.762 1.00 49.90 ? 87 ASP C O 1 ATOM 3322 C CB . ASP C 3 1 ? -35.031 58.540 -1.730 1.00 49.45 ? 87 ASP C CB 1 ATOM 3323 C CG . ASP C 3 1 ? -34.910 58.904 -3.191 1.00 64.12 ? 87 ASP C CG 1 ATOM 3324 O OD1 . ASP C 3 1 ? -35.809 58.514 -3.979 1.00 65.66 ? 87 ASP C OD1 1 ATOM 3325 O OD2 . ASP C 3 1 ? -33.943 59.617 -3.545 1.00 71.39 ? 87 ASP C OD2 1 ATOM 3326 N N . LEU C 3 2 ? -32.612 56.850 -0.933 1.00 43.47 ? 88 LEU C N 1 ATOM 3327 C CA . LEU C 3 2 ? -31.251 56.369 -1.132 1.00 42.69 ? 88 LEU C CA 1 ATOM 3328 C C . LEU C 3 2 ? -31.143 54.849 -0.876 1.00 42.22 ? 88 LEU C C 1 ATOM 3329 O O . LEU C 3 2 ? -31.623 54.355 0.155 1.00 41.03 ? 88 LEU C O 1 ATOM 3330 C CB . LEU C 3 2 ? -30.206 57.155 -0.307 1.00 43.40 ? 88 LEU C CB 1 ATOM 3331 C CG . LEU C 3 2 ? -30.346 57.171 1.232 1.00 49.34 ? 88 LEU C CG 1 ATOM 3332 C CD1 . LEU C 3 2 ? -28.985 57.100 1.905 1.00 50.05 ? 88 LEU C CD1 1 ATOM 3333 C CD2 . LEU C 3 2 ? -31.119 58.398 1.715 1.00 52.15 ? 88 LEU C CD2 1 ATOM 3334 N N . PRO C 3 3 ? -30.534 54.098 -1.824 1.00 35.94 ? 89 PRO C N 1 ATOM 3335 C CA . PRO C 3 3 ? -30.368 52.650 -1.630 1.00 34.05 ? 89 PRO C CA 1 ATOM 3336 C C . PRO C 3 3 ? -29.659 52.304 -0.324 1.00 33.95 ? 89 PRO C C 1 ATOM 3337 O O . PRO C 3 3 ? -28.835 53.092 0.150 1.00 33.91 ? 89 PRO C O 1 ATOM 3338 C CB . PRO C 3 3 ? -29.535 52.251 -2.847 1.00 35.84 ? 89 PRO C CB 1 ATOM 3339 C CG . PRO C 3 3 ? -29.938 53.226 -3.892 1.00 40.41 ? 89 PRO C CG 1 ATOM 3340 C CD . PRO C 3 3 ? -29.969 54.513 -3.123 1.00 36.48 ? 89 PRO C CD 1 ATOM 3341 N N . LEU C 3 4 ? -30.020 51.168 0.288 1.00 28.21 ? 90 LEU C N 1 ATOM 3342 C CA . LEU C 3 4 ? -29.415 50.710 1.540 1.00 27.25 ? 90 LEU C CA 1 ATOM 3343 C C . LEU C 3 4 ? -28.181 49.850 1.231 1.00 28.87 ? 90 LEU C C 1 ATOM 3344 O O . LEU C 3 4 ? -28.223 49.030 0.306 1.00 26.85 ? 90 LEU C O 1 ATOM 3345 C CB . LEU C 3 4 ? -30.409 49.896 2.396 1.00 27.99 ? 90 LEU C CB 1 ATOM 3346 C CG . LEU C 3 4 ? -31.661 50.579 2.935 1.00 34.31 ? 90 LEU C CG 1 ATOM 3347 C CD1 . LEU C 3 4 ? -32.511 49.579 3.738 1.00 34.40 ? 90 LEU C CD1 1 ATOM 3348 C CD2 . LEU C 3 4 ? -31.311 51.765 3.844 1.00 38.07 ? 90 LEU C CD2 1 ATOM 3349 N N . LEU C 3 5 ? -27.091 50.055 1.998 1.00 26.38 ? 91 LEU C N 1 ATOM 3350 C CA . LEU C 3 5 ? -25.813 49.341 1.839 1.00 26.31 ? 91 LEU C CA 1 ATOM 3351 C C . LEU C 3 5 ? -25.524 48.545 3.079 1.00 30.48 ? 91 LEU C C 1 ATOM 3352 O O . LEU C 3 5 ? -25.837 48.998 4.182 1.00 30.15 ? 91 LEU C O 1 ATOM 3353 C CB . LEU C 3 5 ? -24.642 50.308 1.569 1.00 26.25 ? 91 LEU C CB 1 ATOM 3354 C CG . LEU C 3 5 ? -24.791 51.257 0.397 1.00 31.10 ? 91 LEU C CG 1 ATOM 3355 C CD1 . LEU C 3 5 ? -23.910 52.470 0.579 1.00 32.62 ? 91 LEU C CD1 1 ATOM 3356 C CD2 . LEU C 3 5 ? -24.493 50.576 -0.912 1.00 30.43 ? 91 LEU C CD2 1 ATOM 3357 N N . CYS C 3 6 ? -24.908 47.355 2.914 1.00 25.69 ? 92 CYS C N 1 ATOM 3358 C CA . CYS C 3 6 ? -24.621 46.481 4.043 1.00 25.46 ? 92 CYS C CA 1 ATOM 3359 C C . CYS C 3 6 ? -23.338 45.687 3.809 1.00 29.10 ? 92 CYS C C 1 ATOM 3360 O O . CYS C 3 6 ? -23.024 45.307 2.668 1.00 26.55 ? 92 CYS C O 1 ATOM 3361 C CB . CYS C 3 6 ? -25.822 45.566 4.275 1.00 26.80 ? 92 CYS C CB 1 ATOM 3362 S SG . CYS C 3 6 ? -25.583 44.290 5.525 1.00 31.73 ? 92 CYS C SG 1 ATOM 3363 N N . THR C 3 7 ? -22.585 45.478 4.901 1.00 27.54 ? 93 THR C N 1 ATOM 3364 C CA . THR C 3 7 ? -21.342 44.692 4.948 1.00 26.44 ? 93 THR C CA 1 ATOM 3365 C C . THR C 3 7 ? -21.488 43.693 6.099 1.00 30.55 ? 93 THR C C 1 ATOM 3366 O O . THR C 3 7 ? -21.675 44.090 7.262 1.00 30.49 ? 93 THR C O 1 ATOM 3367 C CB . THR C 3 7 ? -20.108 45.593 5.141 1.00 29.51 ? 93 THR C CB 1 ATOM 3368 O OG1 . THR C 3 7 ? -20.103 46.619 4.153 1.00 30.78 ? 93 THR C OG1 1 ATOM 3369 C CG2 . THR C 3 7 ? -18.788 44.812 5.058 1.00 28.56 ? 93 THR C CG2 1 ATOM 3370 N N . LEU C 3 8 ? -21.427 42.397 5.779 1.00 25.33 ? 94 LEU C N 1 ATOM 3371 C CA . LEU C 3 8 ? -21.499 41.347 6.799 1.00 24.61 ? 94 LEU C CA 1 ATOM 3372 C C . LEU C 3 8 ? -20.168 40.606 6.818 1.00 30.29 ? 94 LEU C C 1 ATOM 3373 O O . LEU C 3 8 ? -19.623 40.285 5.755 1.00 26.72 ? 94 LEU C O 1 ATOM 3374 C CB . LEU C 3 8 ? -22.661 40.383 6.532 1.00 24.19 ? 94 LEU C CB 1 ATOM 3375 C CG . LEU C 3 8 ? -24.089 40.950 6.634 1.00 28.39 ? 94 LEU C CG 1 ATOM 3376 C CD1 . LEU C 3 8 ? -25.099 39.879 6.334 1.00 27.85 ? 94 LEU C CD1 1 ATOM 3377 C CD2 . LEU C 3 8 ? -24.382 41.522 8.031 1.00 28.91 ? 94 LEU C CD2 1 ATOM 3378 N N . ASN C 3 9 ? -19.605 40.404 8.027 1.00 30.26 ? 95 ASN C N 1 ATOM 3379 C CA . ASN C 3 9 ? -18.319 39.718 8.254 1.00 31.15 ? 95 ASN C CA 1 ATOM 3380 C C . ASN C 3 9 ? -17.080 40.517 7.708 1.00 35.14 ? 95 ASN C C 1 ATOM 3381 O O . ASN C 3 9 ? -15.968 39.992 7.620 1.00 35.29 ? 95 ASN C O 1 ATOM 3382 C CB . ASN C 3 9 ? -18.381 38.274 7.704 1.00 34.94 ? 95 ASN C CB 1 ATOM 3383 C CG . ASN C 3 9 ? -19.716 37.548 7.911 1.00 63.49 ? 95 ASN C CG 1 ATOM 3384 O OD1 . ASN C 3 9 ? -20.317 37.030 6.964 1.00 57.34 ? 95 ASN C OD1 1 ATOM 3385 N ND2 . ASN C 3 9 ? -20.214 37.486 9.147 1.00 56.70 ? 95 ASN C ND2 1 ATOM 3386 N N . LYS C 3 10 ? -17.271 41.810 7.414 1.00 33.83 ? 96 LYS C N 1 ATOM 3387 C CA . LYS C 3 10 ? -16.267 42.706 6.829 1.00 33.96 ? 96 LYS C CA 1 ATOM 3388 C C . LYS C 3 10 ? -15.754 42.145 5.486 1.00 34.59 ? 96 LYS C C 1 ATOM 3389 O O . LYS C 3 10 ? -14.566 42.297 5.178 1.00 36.76 ? 96 LYS C O 1 ATOM 3390 C CB . LYS C 3 10 ? -15.096 43.022 7.813 1.00 37.92 ? 96 LYS C CB 1 ATOM 3391 C CG . LYS C 3 10 ? -15.445 43.922 9.004 1.00 49.63 ? 96 LYS C CG 1 ATOM 3392 C CD . LYS C 3 10 ? -14.377 43.859 10.093 1.00 59.88 ? 96 LYS C CD 1 ATOM 3393 C CE . LYS C 3 10 ? -13.334 44.949 10.002 1.00 73.53 ? 96 LYS C CE 1 ATOM 3394 N NZ . LYS C 3 10 ? -12.274 44.632 9.008 1.00 82.89 ? 96 LYS C NZ 1 ATOM 3395 N N . SER C 3 11 ? -16.609 41.426 4.729 1.00 27.61 ? 97 SER C N 1 ATOM 3396 C CA . SER C 3 11 ? -16.232 40.883 3.404 1.00 26.46 ? 97 SER C CA 1 ATOM 3397 C C . SER C 3 11 ? -17.411 40.640 2.455 1.00 26.21 ? 97 SER C C 1 ATOM 3398 O O . SER C 3 11 ? -17.191 40.524 1.248 1.00 26.63 ? 97 SER C O 1 ATOM 3399 C CB . SER C 3 11 ? -15.380 39.615 3.521 1.00 30.81 ? 97 SER C CB 1 ATOM 3400 O OG . SER C 3 11 ? -16.133 38.540 4.062 1.00 42.11 ? 97 SER C OG 1 ATOM 3401 N N . HIS C 3 12 ? -18.633 40.491 2.972 1.00 20.23 ? 98 HIS C N 1 ATOM 3402 C CA . HIS C 3 12 ? -19.783 40.219 2.114 1.00 20.72 ? 98 HIS C CA 1 ATOM 3403 C C . HIS C 3 12 ? -20.601 41.508 2.002 1.00 24.24 ? 98 HIS C C 1 ATOM 3404 O O . HIS C 3 12 ? -21.081 42.032 3.019 1.00 24.35 ? 98 HIS C O 1 ATOM 3405 C CB . HIS C 3 12 ? -20.595 39.012 2.639 1.00 22.13 ? 98 HIS C CB 1 ATOM 3406 C CG . HIS C 3 12 ? -19.874 37.706 2.481 1.00 26.98 ? 98 HIS C CG 1 ATOM 3407 N ND1 . HIS C 3 12 ? -18.731 37.416 3.211 1.00 29.53 ? 98 HIS C ND1 1 ATOM 3408 C CD2 . HIS C 3 12 ? -20.141 36.662 1.661 1.00 29.63 ? 98 HIS C CD2 1 ATOM 3409 C CE1 . HIS C 3 12 ? -18.332 36.220 2.799 1.00 29.07 ? 98 HIS C CE1 1 ATOM 3410 N NE2 . HIS C 3 12 ? -19.151 35.724 1.875 1.00 29.71 ? 98 HIS C NE2 1 ATOM 3411 N N . LEU C 3 13 ? -20.669 42.050 0.778 1.00 18.05 ? 99 LEU C N 1 ATOM 3412 C CA . LEU C 3 13 ? -21.271 43.350 0.451 1.00 16.86 ? 99 LEU C CA 1 ATOM 3413 C C . LEU C 3 13 ? -22.600 43.259 -0.237 1.00 18.36 ? 99 LEU C C 1 ATOM 3414 O O . LEU C 3 13 ? -22.757 42.478 -1.170 1.00 16.48 ? 99 LEU C O 1 ATOM 3415 C CB . LEU C 3 13 ? -20.310 44.167 -0.427 1.00 16.70 ? 99 LEU C CB 1 ATOM 3416 C CG . LEU C 3 13 ? -18.920 44.487 0.156 1.00 22.47 ? 99 LEU C CG 1 ATOM 3417 C CD1 . LEU C 3 13 ? -18.073 45.239 -0.852 1.00 23.09 ? 99 LEU C CD1 1 ATOM 3418 C CD2 . LEU C 3 13 ? -19.010 45.317 1.396 1.00 24.16 ? 99 LEU C CD2 1 ATOM 3419 N N . TYR C 3 14 ? -23.556 44.105 0.183 1.00 13.82 ? 100 TYR C N 1 ATOM 3420 C CA . TYR C 3 14 ? -24.898 44.080 -0.378 1.00 14.32 ? 100 TYR C CA 1 ATOM 3421 C C . TYR C 3 14 ? -25.413 45.500 -0.632 1.00 18.11 ? 100 TYR C C 1 ATOM 3422 O O . TYR C 3 14 ? -24.970 46.444 0.006 1.00 17.44 ? 100 TYR C O 1 ATOM 3423 C CB . TYR C 3 14 ? -25.870 43.381 0.605 1.00 15.66 ? 100 TYR C CB 1 ATOM 3424 C CG . TYR C 3 14 ? -25.460 41.987 1.011 1.00 16.64 ? 100 TYR C CG 1 ATOM 3425 C CD1 . TYR C 3 14 ? -25.885 40.877 0.286 1.00 17.54 ? 100 TYR C CD1 1 ATOM 3426 C CD2 . TYR C 3 14 ? -24.601 41.779 2.087 1.00 17.84 ? 100 TYR C CD2 1 ATOM 3427 C CE1 . TYR C 3 14 ? -25.456 39.590 0.619 1.00 19.00 ? 100 TYR C CE1 1 ATOM 3428 C CE2 . TYR C 3 14 ? -24.170 40.498 2.431 1.00 19.47 ? 100 TYR C CE2 1 ATOM 3429 C CZ . TYR C 3 14 ? -24.602 39.407 1.697 1.00 22.60 ? 100 TYR C CZ 1 ATOM 3430 O OH . TYR C 3 14 ? -24.183 38.147 2.051 1.00 26.13 ? 100 TYR C OH 1 ATOM 3431 N N . ILE C 3 15 ? -26.374 45.617 -1.531 1.00 16.35 ? 101 ILE C N 1 ATOM 3432 C CA . ILE C 3 15 ? -27.049 46.872 -1.870 1.00 16.05 ? 101 ILE C CA 1 ATOM 3433 C C . ILE C 3 15 ? -28.521 46.542 -2.159 1.00 19.85 ? 101 ILE C C 1 ATOM 3434 O O . ILE C 3 15 ? -28.795 45.584 -2.887 1.00 19.73 ? 101 ILE C O 1 ATOM 3435 C CB . ILE C 3 15 ? -26.343 47.627 -3.046 1.00 18.76 ? 101 ILE C CB 1 ATOM 3436 C CG1 . ILE C 3 15 ? -26.951 49.044 -3.275 1.00 19.42 ? 101 ILE C CG1 1 ATOM 3437 C CG2 . ILE C 3 15 ? -26.353 46.816 -4.350 1.00 17.65 ? 101 ILE C CG2 1 ATOM 3438 C CD1 . ILE C 3 15 ? -26.192 49.897 -4.385 1.00 15.90 ? 101 ILE C CD1 1 ATOM 3439 N N . LYS C 3 16 ? -29.458 47.365 -1.638 1.00 16.28 ? 102 LYS C N 1 ATOM 3440 C CA . LYS C 3 16 ? -30.907 47.202 -1.851 1.00 17.35 ? 102 LYS C CA 1 ATOM 3441 C C . LYS C 3 16 ? -31.455 48.559 -2.335 1.00 23.46 ? 102 LYS C C 1 ATOM 3442 O O . LYS C 3 16 ? -31.035 49.603 -1.831 1.00 21.92 ? 102 LYS C O 1 ATOM 3443 C CB . LYS C 3 16 ? -31.577 46.814 -0.500 1.00 20.22 ? 102 LYS C CB 1 ATOM 3444 C CG . LYS C 3 16 ? -33.045 46.449 -0.603 1.00 37.85 ? 102 LYS C CG 1 ATOM 3445 C CD . LYS C 3 16 ? -33.571 45.739 0.635 1.00 53.98 ? 102 LYS C CD 1 ATOM 3446 C CE . LYS C 3 16 ? -33.831 46.636 1.826 1.00 67.59 ? 102 LYS C CE 1 ATOM 3447 N NZ . LYS C 3 16 ? -35.070 47.438 1.661 1.00 82.31 ? 102 LYS C NZ 1 ATOM 3448 N N . GLY C 3 17 ? -32.377 48.526 -3.288 1.00 24.34 ? 103 GLY C N 1 ATOM 3449 C CA . GLY C 3 17 ? -33.035 49.717 -3.827 1.00 25.73 ? 103 GLY C CA 1 ATOM 3450 C C . GLY C 3 17 ? -34.399 49.318 -4.325 1.00 31.86 ? 103 GLY C C 1 ATOM 3451 O O . GLY C 3 17 ? -34.508 48.684 -5.371 1.00 31.83 ? 103 GLY C O 1 ATOM 3452 N N . GLY C 3 18 ? -35.423 49.605 -3.538 1.00 31.60 ? 104 GLY C N 1 ATOM 3453 C CA . GLY C 3 18 ? -36.797 49.216 -3.853 1.00 32.31 ? 104 GLY C CA 1 ATOM 3454 C C . GLY C 3 18 ? -36.977 47.708 -3.820 1.00 36.78 ? 104 GLY C C 1 ATOM 3455 O O . GLY C 3 18 ? -36.608 47.054 -2.839 1.00 37.19 ? 104 GLY C O 1 ATOM 3456 N N . ASN C 3 19 ? -37.456 47.150 -4.935 1.00 33.93 ? 105 ASN C N 1 ATOM 3457 C CA . ASN C 3 19 ? -37.675 45.714 -5.154 1.00 33.97 ? 105 ASN C CA 1 ATOM 3458 C C . ASN C 3 19 ? -36.373 45.000 -5.583 1.00 34.63 ? 105 ASN C C 1 ATOM 3459 O O . ASN C 3 19 ? -36.359 43.759 -5.676 1.00 35.93 ? 105 ASN C O 1 ATOM 3460 C CB . ASN C 3 19 ? -38.724 45.535 -6.254 1.00 39.43 ? 105 ASN C CB 1 ATOM 3461 C CG . ASN C 3 19 ? -39.385 44.175 -6.381 1.00 79.88 ? 105 ASN C CG 1 ATOM 3462 O OD1 . ASN C 3 19 ? -39.952 43.639 -5.415 1.00 66.51 ? 105 ASN C OD1 1 ATOM 3463 N ND2 . ASN C 3 19 ? -39.315 43.666 -7.634 1.00 88.69 ? 105 ASN C ND2 1 ATOM 3464 N N . ALA C 3 20 ? -35.298 45.768 -5.882 1.00 25.61 ? 106 ALA C N 1 ATOM 3465 C CA . ALA C 3 20 ? -34.031 45.150 -6.292 1.00 24.19 ? 106 ALA C CA 1 ATOM 3466 C C . ALA C 3 20 ? -33.088 45.022 -5.093 1.00 21.88 ? 106 ALA C C 1 ATOM 3467 O O . ALA C 3 20 ? -33.053 45.896 -4.227 1.00 19.88 ? 106 ALA C O 1 ATOM 3468 C CB . ALA C 3 20 ? -33.381 45.935 -7.427 1.00 24.95 ? 106 ALA C CB 1 ATOM 3469 N N . SER C 3 21 ? -32.337 43.912 -5.032 1.00 16.54 ? 107 SER C N 1 ATOM 3470 C CA . SER C 3 21 ? -31.427 43.642 -3.930 1.00 15.32 ? 107 SER C CA 1 ATOM 3471 C C . SER C 3 21 ? -30.294 42.772 -4.467 1.00 16.63 ? 107 SER C C 1 ATOM 3472 O O . SER C 3 21 ? -30.545 41.663 -4.925 1.00 16.33 ? 107 SER C O 1 ATOM 3473 C CB . SER C 3 21 ? -32.171 42.912 -2.810 1.00 17.59 ? 107 SER C CB 1 ATOM 3474 O OG . SER C 3 21 ? -31.337 42.797 -1.668 1.00 29.33 ? 107 SER C OG 1 ATOM 3475 N N . PHE C 3 22 ? -29.061 43.270 -4.411 1.00 14.41 ? 108 PHE C N 1 ATOM 3476 C CA . PHE C 3 22 ? -27.909 42.566 -4.989 1.00 13.85 ? 108 PHE C CA 1 ATOM 3477 C C . PHE C 3 22 ? -26.842 42.205 -3.978 1.00 16.57 ? 108 PHE C C 1 ATOM 3478 O O . PHE C 3 22 ? -26.623 42.922 -3.016 1.00 16.05 ? 108 PHE C O 1 ATOM 3479 C CB . PHE C 3 22 ? -27.193 43.448 -6.043 1.00 14.52 ? 108 PHE C CB 1 ATOM 3480 C CG . PHE C 3 22 ? -27.991 44.034 -7.192 1.00 16.04 ? 108 PHE C CG 1 ATOM 3481 C CD1 . PHE C 3 22 ? -29.110 43.377 -7.698 1.00 19.12 ? 108 PHE C CD1 1 ATOM 3482 C CD2 . PHE C 3 22 ? -27.603 45.233 -7.786 1.00 18.37 ? 108 PHE C CD2 1 ATOM 3483 C CE1 . PHE C 3 22 ? -29.843 43.927 -8.757 1.00 20.00 ? 108 PHE C CE1 1 ATOM 3484 C CE2 . PHE C 3 22 ? -28.338 45.777 -8.842 1.00 19.96 ? 108 PHE C CE2 1 ATOM 3485 C CZ . PHE C 3 22 ? -29.416 45.099 -9.351 1.00 17.62 ? 108 PHE C CZ 1 ATOM 3486 N N . LYS C 3 23 ? -26.095 41.146 -4.281 1.00 14.34 ? 109 LYS C N 1 ATOM 3487 C CA . LYS C 3 23 ? -24.877 40.836 -3.571 1.00 13.98 ? 109 LYS C CA 1 ATOM 3488 C C . LYS C 3 23 ? -23.760 41.250 -4.532 1.00 17.16 ? 109 LYS C C 1 ATOM 3489 O O . LYS C 3 23 ? -23.857 41.020 -5.743 1.00 17.51 ? 109 LYS C O 1 ATOM 3490 C CB . LYS C 3 23 ? -24.758 39.368 -3.148 1.00 16.99 ? 109 LYS C CB 1 ATOM 3491 C CG . LYS C 3 23 ? -24.698 38.312 -4.230 1.00 26.35 ? 109 LYS C CG 1 ATOM 3492 C CD . LYS C 3 23 ? -24.456 37.018 -3.472 1.00 33.82 ? 109 LYS C CD 1 ATOM 3493 C CE . LYS C 3 23 ? -24.399 35.765 -4.278 1.00 41.09 ? 109 LYS C CE 1 ATOM 3494 N NZ . LYS C 3 23 ? -24.309 34.594 -3.362 1.00 37.95 ? 109 LYS C NZ 1 ATOM 3495 N N . ILE C 3 24 ? -22.722 41.874 -3.998 1.00 14.44 ? 110 ILE C N 1 ATOM 3496 C CA . ILE C 3 24 ? -21.595 42.343 -4.801 1.00 14.22 ? 110 ILE C CA 1 ATOM 3497 C C . ILE C 3 24 ? -20.410 41.425 -4.497 1.00 17.31 ? 110 ILE C C 1 ATOM 3498 O O . ILE C 3 24 ? -20.004 41.322 -3.344 1.00 16.26 ? 110 ILE C O 1 ATOM 3499 C CB . ILE C 3 24 ? -21.340 43.851 -4.528 1.00 17.26 ? 110 ILE C CB 1 ATOM 3500 C CG1 . ILE C 3 24 ? -22.573 44.686 -5.018 1.00 18.44 ? 110 ILE C CG1 1 ATOM 3501 C CG2 . ILE C 3 24 ? -20.077 44.330 -5.253 1.00 17.08 ? 110 ILE C CG2 1 ATOM 3502 C CD1 . ILE C 3 24 ? -22.707 46.034 -4.370 1.00 35.47 ? 110 ILE C CD1 1 ATOM 3503 N N . SER C 3 25 ? -19.925 40.693 -5.507 1.00 12.69 ? 111 SER C N 1 ATOM 3504 C CA . SER C 3 25 ? -18.837 39.737 -5.302 1.00 11.26 ? 111 SER C CA 1 ATOM 3505 C C . SER C 3 25 ? -17.603 40.149 -6.070 1.00 14.73 ? 111 SER C C 1 ATOM 3506 O O . SER C 3 25 ? -17.738 40.633 -7.181 1.00 15.67 ? 111 SER C O 1 ATOM 3507 C CB . SER C 3 25 ? -19.253 38.326 -5.749 1.00 12.45 ? 111 SER C CB 1 ATOM 3508 O OG . SER C 3 25 ? -20.383 37.853 -5.028 1.00 13.07 ? 111 SER C OG 1 ATOM 3509 N N . PHE C 3 26 ? -16.402 39.866 -5.524 1.00 9.56 ? 112 PHE C N 1 ATOM 3510 C CA . PHE C 3 26 ? -15.146 40.143 -6.203 1.00 9.06 ? 112 PHE C CA 1 ATOM 3511 C C . PHE C 3 26 ? -14.301 38.879 -6.203 1.00 14.21 ? 112 PHE C C 1 ATOM 3512 O O . PHE C 3 26 ? -13.952 38.387 -5.131 1.00 15.47 ? 112 PHE C O 1 ATOM 3513 C CB . PHE C 3 26 ? -14.359 41.246 -5.458 1.00 11.54 ? 112 PHE C CB 1 ATOM 3514 C CG . PHE C 3 26 ? -15.000 42.601 -5.485 1.00 11.97 ? 112 PHE C CG 1 ATOM 3515 C CD1 . PHE C 3 26 ? -15.956 42.953 -4.540 1.00 15.13 ? 112 PHE C CD1 1 ATOM 3516 C CD2 . PHE C 3 26 ? -14.637 43.536 -6.443 1.00 15.30 ? 112 PHE C CD2 1 ATOM 3517 C CE1 . PHE C 3 26 ? -16.537 44.222 -4.556 1.00 15.14 ? 112 PHE C CE1 1 ATOM 3518 C CE2 . PHE C 3 26 ? -15.205 44.806 -6.445 1.00 16.13 ? 112 PHE C CE2 1 ATOM 3519 C CZ . PHE C 3 26 ? -16.175 45.124 -5.526 1.00 13.94 ? 112 PHE C CZ 1 ATOM 3520 N N . ASP C 3 27 ? -13.960 38.360 -7.390 1.00 10.19 ? 113 ASP C N 1 ATOM 3521 C CA . ASP C 3 27 ? -13.069 37.215 -7.540 1.00 10.62 ? 113 ASP C CA 1 ATOM 3522 C C . ASP C 3 27 ? -12.594 37.095 -9.000 1.00 13.68 ? 113 ASP C C 1 ATOM 3523 O O . ASP C 3 27 ? -13.006 37.859 -9.856 1.00 13.01 ? 113 ASP C O 1 ATOM 3524 C CB . ASP C 3 27 ? -13.694 35.888 -7.022 1.00 11.68 ? 113 ASP C CB 1 ATOM 3525 C CG . ASP C 3 27 ? -14.978 35.517 -7.704 1.00 13.70 ? 113 ASP C CG 1 ATOM 3526 O OD1 . ASP C 3 27 ? -14.996 35.474 -8.949 1.00 13.73 ? 113 ASP C OD1 1 ATOM 3527 O OD2 . ASP C 3 27 ? -15.987 35.350 -7.003 1.00 17.21 ? 113 ASP C OD2 1 ATOM 3528 N N . ASP C 3 28 ? -11.809 36.065 -9.276 1.00 12.04 ? 114 ASP C N 1 ATOM 3529 C CA . ASP C 3 28 ? -11.176 35.820 -10.578 1.00 11.04 ? 114 ASP C CA 1 ATOM 3530 C C . ASP C 3 28 ? -12.039 35.046 -11.600 1.00 12.56 ? 114 ASP C C 1 ATOM 3531 O O . ASP C 3 28 ? -11.511 34.642 -12.630 1.00 13.66 ? 114 ASP C O 1 ATOM 3532 C CB . ASP C 3 28 ? -9.827 35.126 -10.362 1.00 11.06 ? 114 ASP C CB 1 ATOM 3533 C CG . ASP C 3 28 ? -9.912 33.988 -9.362 1.00 21.43 ? 114 ASP C CG 1 ATOM 3534 O OD1 . ASP C 3 28 ? -11.025 33.440 -9.174 1.00 19.54 ? 114 ASP C OD1 1 ATOM 3535 O OD2 . ASP C 3 28 ? -8.871 33.643 -8.772 1.00 18.80 ? 114 ASP C OD2 1 ATOM 3536 N N . ILE C 3 29 ? -13.345 34.910 -11.375 1.00 8.35 ? 115 ILE C N 1 ATOM 3537 C CA . ILE C 3 29 ? -14.210 34.229 -12.358 1.00 7.17 ? 115 ILE C CA 1 ATOM 3538 C C . ILE C 3 29 ? -14.762 35.282 -13.317 1.00 11.57 ? 115 ILE C C 1 ATOM 3539 O O . ILE C 3 29 ? -15.480 36.178 -12.886 1.00 10.25 ? 115 ILE C O 1 ATOM 3540 C CB . ILE C 3 29 ? -15.351 33.381 -11.748 1.00 9.25 ? 115 ILE C CB 1 ATOM 3541 C CG1 . ILE C 3 29 ? -14.813 32.400 -10.651 1.00 9.57 ? 115 ILE C CG1 1 ATOM 3542 C CG2 . ILE C 3 29 ? -16.139 32.662 -12.868 1.00 6.66 ? 115 ILE C CG2 1 ATOM 3543 C CD1 . ILE C 3 29 ? -13.883 31.280 -11.149 1.00 13.30 ? 115 ILE C CD1 1 ATOM 3544 N N . ALA C 3 30 ? -14.444 35.140 -14.606 1.00 9.10 ? 116 ALA C N 1 ATOM 3545 C CA . ALA C 3 30 ? -14.946 36.066 -15.623 1.00 10.21 ? 116 ALA C CA 1 ATOM 3546 C C . ALA C 3 30 ? -16.212 35.411 -16.163 1.00 14.26 ? 116 ALA C C 1 ATOM 3547 O O . ALA C 3 30 ? -16.181 34.673 -17.148 1.00 14.35 ? 116 ALA C O 1 ATOM 3548 C CB . ALA C 3 30 ? -13.909 36.277 -16.713 1.00 11.25 ? 116 ALA C CB 1 ATOM 3549 N N . VAL C 3 31 ? -17.316 35.629 -15.439 1.00 10.84 ? 117 VAL C N 1 ATOM 3550 C CA . VAL C 3 31 ? -18.620 35.033 -15.746 1.00 11.18 ? 117 VAL C CA 1 ATOM 3551 C C . VAL C 3 31 ? -19.089 35.570 -17.110 1.00 14.39 ? 117 VAL C C 1 ATOM 3552 O O . VAL C 3 31 ? -19.596 34.803 -17.930 1.00 12.30 ? 117 VAL C O 1 ATOM 3553 C CB . VAL C 3 31 ? -19.672 35.324 -14.634 1.00 15.66 ? 117 VAL C CB 1 ATOM 3554 C CG1 . VAL C 3 31 ? -21.024 34.662 -14.959 1.00 15.68 ? 117 VAL C CG1 1 ATOM 3555 C CG2 . VAL C 3 31 ? -19.162 34.871 -13.278 1.00 16.03 ? 117 VAL C CG2 1 ATOM 3556 N N . LEU C 3 32 ? -18.927 36.879 -17.318 1.00 12.59 ? 118 LEU C N 1 ATOM 3557 C CA . LEU C 3 32 ? -19.294 37.530 -18.588 1.00 13.81 ? 118 LEU C CA 1 ATOM 3558 C C . LEU C 3 32 ? -18.085 37.874 -19.412 1.00 18.19 ? 118 LEU C C 1 ATOM 3559 O O . LEU C 3 32 ? -17.028 38.133 -18.855 1.00 17.01 ? 118 LEU C O 1 ATOM 3560 C CB . LEU C 3 32 ? -20.121 38.806 -18.337 1.00 13.56 ? 118 LEU C CB 1 ATOM 3561 C CG . LEU C 3 32 ? -21.304 38.656 -17.379 1.00 16.84 ? 118 LEU C CG 1 ATOM 3562 C CD1 . LEU C 3 32 ? -22.023 39.954 -17.260 1.00 15.58 ? 118 LEU C CD1 1 ATOM 3563 C CD2 . LEU C 3 32 ? -22.266 37.482 -17.808 1.00 16.52 ? 118 LEU C CD2 1 ATOM 3564 N N . LEU C 3 33 ? -18.233 37.894 -20.742 1.00 16.64 ? 119 LEU C N 1 ATOM 3565 C CA . LEU C 3 33 ? -17.131 38.239 -21.647 1.00 16.08 ? 119 LEU C CA 1 ATOM 3566 C C . LEU C 3 33 ? -17.691 39.060 -22.812 1.00 20.94 ? 119 LEU C C 1 ATOM 3567 O O . LEU C 3 33 ? -18.774 38.733 -23.288 1.00 19.46 ? 119 LEU C O 1 ATOM 3568 C CB . LEU C 3 33 ? -16.445 36.980 -22.215 1.00 16.50 ? 119 LEU C CB 1 ATOM 3569 C CG . LEU C 3 33 ? -15.652 36.090 -21.242 1.00 20.85 ? 119 LEU C CG 1 ATOM 3570 C CD1 . LEU C 3 33 ? -15.081 34.928 -21.979 1.00 23.09 ? 119 LEU C CD1 1 ATOM 3571 C CD2 . LEU C 3 33 ? -14.523 36.866 -20.530 1.00 21.49 ? 119 LEU C CD2 1 ATOM 3572 N N . PRO C 3 34 ? -16.956 40.076 -23.328 1.00 19.73 ? 120 PRO C N 1 ATOM 3573 C CA . PRO C 3 34 ? -17.506 40.877 -24.450 1.00 20.55 ? 120 PRO C CA 1 ATOM 3574 C C . PRO C 3 34 ? -17.907 40.068 -25.686 1.00 26.13 ? 120 PRO C C 1 ATOM 3575 O O . PRO C 3 34 ? -18.744 40.534 -26.444 1.00 27.54 ? 120 PRO C O 1 ATOM 3576 C CB . PRO C 3 34 ? -16.430 41.917 -24.747 1.00 22.38 ? 120 PRO C CB 1 ATOM 3577 C CG . PRO C 3 34 ? -15.226 41.523 -23.944 1.00 26.25 ? 120 PRO C CG 1 ATOM 3578 C CD . PRO C 3 34 ? -15.646 40.580 -22.867 1.00 21.56 ? 120 PRO C CD 1 ATOM 3579 N N . GLU C 3 35 ? -17.389 38.834 -25.846 1.00 24.44 ? 121 GLU C N 1 ATOM 3580 C CA . GLU C 3 35 ? -17.708 37.943 -26.966 1.00 24.06 ? 121 GLU C CA 1 ATOM 3581 C C . GLU C 3 35 ? -19.132 37.371 -26.827 1.00 28.24 ? 121 GLU C C 1 ATOM 3582 O O . GLU C 3 35 ? -19.772 37.051 -27.831 1.00 28.55 ? 121 GLU C O 1 ATOM 3583 C CB . GLU C 3 35 ? -16.679 36.786 -27.022 1.00 26.09 ? 121 GLU C CB 1 ATOM 3584 C CG . GLU C 3 35 ? -16.825 35.826 -28.200 1.00 39.46 ? 121 GLU C CG 1 ATOM 3585 C CD . GLU C 3 35 ? -16.066 34.509 -28.123 1.00 60.85 ? 121 GLU C CD 1 ATOM 3586 O OE1 . GLU C 3 35 ? -15.177 34.372 -27.249 1.00 43.88 ? 121 GLU C OE1 1 ATOM 3587 O OE2 . GLU C 3 35 ? -16.367 33.610 -28.945 1.00 48.87 ? 121 GLU C OE2 1 ATOM 3588 N N . TYR C 3 36 ? -19.619 37.217 -25.595 1.00 24.02 ? 122 TYR C N 1 ATOM 3589 C CA . TYR C 3 36 ? -20.910 36.590 -25.366 1.00 24.10 ? 122 TYR C CA 1 ATOM 3590 C C . TYR C 3 36 ? -21.999 37.487 -24.811 1.00 26.76 ? 122 TYR C C 1 ATOM 3591 O O . TYR C 3 36 ? -23.179 37.106 -24.863 1.00 27.15 ? 122 TYR C O 1 ATOM 3592 C CB . TYR C 3 36 ? -20.729 35.423 -24.372 1.00 25.28 ? 122 TYR C CB 1 ATOM 3593 C CG . TYR C 3 36 ? -19.806 34.338 -24.870 1.00 27.65 ? 122 TYR C CG 1 ATOM 3594 C CD1 . TYR C 3 36 ? -20.247 33.388 -25.789 1.00 29.33 ? 122 TYR C CD1 1 ATOM 3595 C CD2 . TYR C 3 36 ? -18.507 34.224 -24.383 1.00 28.81 ? 122 TYR C CD2 1 ATOM 3596 C CE1 . TYR C 3 36 ? -19.395 32.398 -26.268 1.00 30.43 ? 122 TYR C CE1 1 ATOM 3597 C CE2 . TYR C 3 36 ? -17.646 33.226 -24.845 1.00 30.13 ? 122 TYR C CE2 1 ATOM 3598 C CZ . TYR C 3 36 ? -18.098 32.311 -25.785 1.00 37.45 ? 122 TYR C CZ 1 ATOM 3599 O OH . TYR C 3 36 ? -17.266 31.317 -26.241 1.00 39.72 ? 122 TYR C OH 1 ATOM 3600 N N . ASP C 3 37 ? -21.618 38.592 -24.164 1.00 18.75 ? 123 ASP C N 1 ATOM 3601 C CA . ASP C 3 37 ? -22.596 39.347 -23.398 1.00 17.21 ? 123 ASP C CA 1 ATOM 3602 C C . ASP C 3 37 ? -22.829 40.761 -23.888 1.00 23.58 ? 123 ASP C C 1 ATOM 3603 O O . ASP C 3 37 ? -22.279 41.161 -24.915 1.00 24.72 ? 123 ASP C O 1 ATOM 3604 C CB . ASP C 3 37 ? -22.180 39.300 -21.912 1.00 17.72 ? 123 ASP C CB 1 ATOM 3605 C CG . ASP C 3 37 ? -22.218 37.868 -21.409 1.00 24.09 ? 123 ASP C CG 1 ATOM 3606 O OD1 . ASP C 3 37 ? -23.338 37.337 -21.208 1.00 23.37 ? 123 ASP C OD1 1 ATOM 3607 O OD2 . ASP C 3 37 ? -21.131 37.232 -21.330 1.00 24.81 ? 123 ASP C OD2 1 ATOM 3608 N N . VAL C 3 38 ? -23.676 41.508 -23.168 1.00 19.93 ? 124 VAL C N 1 ATOM 3609 C CA . VAL C 3 38 ? -24.055 42.872 -23.529 1.00 19.19 ? 124 VAL C CA 1 ATOM 3610 C C . VAL C 3 38 ? -23.007 43.882 -23.066 1.00 21.21 ? 124 VAL C C 1 ATOM 3611 O O . VAL C 3 38 ? -22.741 43.970 -21.888 1.00 21.39 ? 124 VAL C O 1 ATOM 3612 C CB . VAL C 3 38 ? -25.482 43.205 -23.017 1.00 22.04 ? 124 VAL C CB 1 ATOM 3613 C CG1 . VAL C 3 38 ? -25.886 44.634 -23.382 1.00 21.15 ? 124 VAL C CG1 1 ATOM 3614 C CG2 . VAL C 3 38 ? -26.501 42.205 -23.531 1.00 21.63 ? 124 VAL C CG2 1 ATOM 3615 N N . ILE C 3 39 ? -22.392 44.614 -24.007 1.00 19.69 ? 125 ILE C N 1 ATOM 3616 C CA . ILE C 3 39 ? -21.377 45.646 -23.736 1.00 20.04 ? 125 ILE C CA 1 ATOM 3617 C C . ILE C 3 39 ? -22.101 46.940 -23.338 1.00 25.98 ? 125 ILE C C 1 ATOM 3618 O O . ILE C 3 39 ? -22.945 47.412 -24.087 1.00 27.48 ? 125 ILE C O 1 ATOM 3619 C CB . ILE C 3 39 ? -20.417 45.832 -24.962 1.00 22.40 ? 125 ILE C CB 1 ATOM 3620 C CG1 . ILE C 3 39 ? -19.615 44.519 -25.239 1.00 21.65 ? 125 ILE C CG1 1 ATOM 3621 C CG2 . ILE C 3 39 ? -19.480 47.040 -24.760 1.00 22.25 ? 125 ILE C CG2 1 ATOM 3622 C CD1 . ILE C 3 39 ? -18.926 44.374 -26.605 1.00 22.88 ? 125 ILE C CD1 1 ATOM 3623 N N . ILE C 3 40 ? -21.780 47.500 -22.164 1.00 21.70 ? 126 ILE C N 1 ATOM 3624 C CA . ILE C 3 40 ? -22.413 48.709 -21.639 1.00 21.16 ? 126 ILE C CA 1 ATOM 3625 C C . ILE C 3 40 ? -21.490 49.915 -21.797 1.00 26.76 ? 126 ILE C C 1 ATOM 3626 O O . ILE C 3 40 ? -20.523 50.042 -21.045 1.00 25.28 ? 126 ILE C O 1 ATOM 3627 C CB . ILE C 3 40 ? -22.936 48.560 -20.169 1.00 23.67 ? 126 ILE C CB 1 ATOM 3628 C CG1 . ILE C 3 40 ? -23.773 47.262 -19.934 1.00 24.19 ? 126 ILE C CG1 1 ATOM 3629 C CG2 . ILE C 3 40 ? -23.701 49.813 -19.731 1.00 23.59 ? 126 ILE C CG2 1 ATOM 3630 C CD1 . ILE C 3 40 ? -25.135 47.172 -20.685 1.00 38.02 ? 126 ILE C CD1 1 ATOM 3631 N N . GLN C 3 41 ? -21.843 50.845 -22.722 1.00 25.52 ? 127 GLN C N 1 ATOM 3632 C CA . GLN C 3 41 ? -21.070 52.070 -22.989 1.00 27.13 ? 127 GLN C CA 1 ATOM 3633 C C . GLN C 3 41 ? -21.866 53.356 -22.734 1.00 33.54 ? 127 GLN C C 1 ATOM 3634 O O . GLN C 3 41 ? -21.311 54.454 -22.816 1.00 35.73 ? 127 GLN C O 1 ATOM 3635 C CB . GLN C 3 41 ? -20.515 52.062 -24.428 1.00 29.03 ? 127 GLN C CB 1 ATOM 3636 C CG . GLN C 3 41 ? -19.699 50.821 -24.760 1.00 48.49 ? 127 GLN C CG 1 ATOM 3637 C CD . GLN C 3 41 ? -19.071 50.903 -26.119 1.00 62.91 ? 127 GLN C CD 1 ATOM 3638 O OE1 . GLN C 3 41 ? -19.659 50.487 -27.126 1.00 55.45 ? 127 GLN C OE1 1 ATOM 3639 N NE2 . GLN C 3 41 ? -17.863 51.451 -26.170 1.00 51.45 ? 127 GLN C NE2 1 ATOM 3640 N N . HIS C 3 42 ? -23.165 53.219 -22.464 1.00 29.07 ? 128 HIS C N 1 ATOM 3641 C CA . HIS C 3 42 ? -24.105 54.312 -22.200 1.00 28.28 ? 128 HIS C CA 1 ATOM 3642 C C . HIS C 3 42 ? -25.114 53.782 -21.170 1.00 29.25 ? 128 HIS C C 1 ATOM 3643 O O . HIS C 3 42 ? -25.454 52.600 -21.280 1.00 27.65 ? 128 HIS C O 1 ATOM 3644 C CB . HIS C 3 42 ? -24.825 54.710 -23.506 1.00 29.64 ? 128 HIS C CB 1 ATOM 3645 C CG . HIS C 3 42 ? -25.721 55.904 -23.364 1.00 34.17 ? 128 HIS C CG 1 ATOM 3646 N ND1 . HIS C 3 42 ? -26.995 55.797 -22.813 1.00 36.67 ? 128 HIS C ND1 1 ATOM 3647 C CD2 . HIS C 3 42 ? -25.496 57.200 -23.679 1.00 36.99 ? 128 HIS C CD2 1 ATOM 3648 C CE1 . HIS C 3 42 ? -27.490 57.023 -22.792 1.00 36.14 ? 128 HIS C CE1 1 ATOM 3649 N NE2 . HIS C 3 42 ? -26.633 57.902 -23.315 1.00 36.91 ? 128 HIS C NE2 1 ATOM 3650 N N . PRO C 3 43 ? -25.617 54.595 -20.191 1.00 26.08 ? 129 PRO C N 1 ATOM 3651 C CA . PRO C 3 43 ? -26.612 54.064 -19.231 1.00 26.08 ? 129 PRO C CA 1 ATOM 3652 C C . PRO C 3 43 ? -27.816 53.392 -19.886 1.00 29.54 ? 129 PRO C C 1 ATOM 3653 O O . PRO C 3 43 ? -28.305 52.399 -19.359 1.00 29.30 ? 129 PRO C O 1 ATOM 3654 C CB . PRO C 3 43 ? -27.047 55.293 -18.421 1.00 27.79 ? 129 PRO C CB 1 ATOM 3655 C CG . PRO C 3 43 ? -26.018 56.301 -18.640 1.00 31.53 ? 129 PRO C CG 1 ATOM 3656 C CD . PRO C 3 43 ? -25.325 56.023 -19.926 1.00 27.38 ? 129 PRO C CD 1 ATOM 3657 N N . ALA C 3 44 ? -28.262 53.893 -21.051 1.00 25.96 ? 130 ALA C N 1 ATOM 3658 C CA . ALA C 3 44 ? -29.405 53.321 -21.775 1.00 26.32 ? 130 ALA C CA 1 ATOM 3659 C C . ALA C 3 44 ? -29.177 51.904 -22.301 1.00 28.40 ? 130 ALA C C 1 ATOM 3660 O O . ALA C 3 44 ? -30.156 51.190 -22.509 1.00 28.17 ? 130 ALA C O 1 ATOM 3661 C CB . ALA C 3 44 ? -29.847 54.244 -22.908 1.00 27.20 ? 130 ALA C CB 1 ATOM 3662 N N . ASP C 3 45 ? -27.904 51.481 -22.498 1.00 23.77 ? 131 ASP C N 1 ATOM 3663 C CA . ASP C 3 45 ? -27.559 50.119 -22.947 1.00 23.26 ? 131 ASP C CA 1 ATOM 3664 C C . ASP C 3 45 ? -28.027 49.067 -21.938 1.00 25.85 ? 131 ASP C C 1 ATOM 3665 O O . ASP C 3 45 ? -28.189 47.906 -22.303 1.00 25.77 ? 131 ASP C O 1 ATOM 3666 C CB . ASP C 3 45 ? -26.034 49.972 -23.147 1.00 25.26 ? 131 ASP C CB 1 ATOM 3667 C CG . ASP C 3 45 ? -25.433 50.855 -24.221 1.00 32.17 ? 131 ASP C CG 1 ATOM 3668 O OD1 . ASP C 3 45 ? -26.196 51.350 -25.079 1.00 34.61 ? 131 ASP C OD1 1 ATOM 3669 O OD2 . ASP C 3 45 ? -24.194 51.021 -24.229 1.00 28.15 ? 131 ASP C OD2 1 ATOM 3670 N N . MET C 3 46 ? -28.271 49.489 -20.681 1.00 23.97 ? 132 MET C N 1 ATOM 3671 C CA . MET C 3 46 ? -28.725 48.608 -19.592 1.00 23.63 ? 132 MET C CA 1 ATOM 3672 C C . MET C 3 46 ? -30.162 48.127 -19.736 1.00 27.47 ? 132 MET C C 1 ATOM 3673 O O . MET C 3 46 ? -30.548 47.183 -19.043 1.00 26.68 ? 132 MET C O 1 ATOM 3674 C CB . MET C 3 46 ? -28.484 49.235 -18.222 1.00 25.47 ? 132 MET C CB 1 ATOM 3675 C CG . MET C 3 46 ? -27.018 49.498 -17.975 1.00 28.32 ? 132 MET C CG 1 ATOM 3676 S SD . MET C 3 46 ? -26.550 49.444 -16.245 1.00 32.16 ? 132 MET C SD 1 ATOM 3677 C CE . MET C 3 46 ? -26.384 47.693 -16.013 1.00 28.98 ? 132 MET C CE 1 ATOM 3678 N N . SER C 3 47 ? -30.936 48.692 -20.699 1.00 24.37 ? 133 SER C N 1 ATOM 3679 C CA . SER C 3 47 ? -32.306 48.230 -20.975 1.00 24.57 ? 133 SER C CA 1 ATOM 3680 C C . SER C 3 47 ? -32.270 46.760 -21.448 1.00 28.86 ? 133 SER C C 1 ATOM 3681 O O . SER C 3 47 ? -33.227 46.024 -21.236 1.00 27.67 ? 133 SER C O 1 ATOM 3682 C CB . SER C 3 47 ? -32.972 49.117 -22.022 1.00 28.00 ? 133 SER C CB 1 ATOM 3683 O OG . SER C 3 47 ? -32.477 48.830 -23.322 1.00 40.97 ? 133 SER C OG 1 ATOM 3684 N N . TRP C 3 48 ? -31.133 46.326 -22.028 1.00 27.37 ? 134 TRP C N 1 ATOM 3685 C CA . TRP C 3 48 ? -30.946 44.952 -22.486 1.00 28.31 ? 134 TRP C CA 1 ATOM 3686 C C . TRP C 3 48 ? -30.556 43.970 -21.353 1.00 27.61 ? 134 TRP C C 1 ATOM 3687 O O . TRP C 3 48 ? -30.538 42.766 -21.592 1.00 25.67 ? 134 TRP C O 1 ATOM 3688 C CB . TRP C 3 48 ? -29.947 44.892 -23.662 1.00 28.86 ? 134 TRP C CB 1 ATOM 3689 C CG . TRP C 3 48 ? -30.605 44.999 -25.013 1.00 31.49 ? 134 TRP C CG 1 ATOM 3690 C CD1 . TRP C 3 48 ? -30.515 46.041 -25.892 1.00 34.96 ? 134 TRP C CD1 1 ATOM 3691 C CD2 . TRP C 3 48 ? -31.506 44.046 -25.610 1.00 31.72 ? 134 TRP C CD2 1 ATOM 3692 N NE1 . TRP C 3 48 ? -31.254 45.768 -27.028 1.00 34.61 ? 134 TRP C NE1 1 ATOM 3693 C CE2 . TRP C 3 48 ? -31.890 44.562 -26.870 1.00 36.18 ? 134 TRP C CE2 1 ATOM 3694 C CE3 . TRP C 3 48 ? -32.029 42.804 -25.201 1.00 33.30 ? 134 TRP C CE3 1 ATOM 3695 C CZ2 . TRP C 3 48 ? -32.767 43.878 -27.726 1.00 35.80 ? 134 TRP C CZ2 1 ATOM 3696 C CZ3 . TRP C 3 48 ? -32.896 42.124 -26.049 1.00 35.16 ? 134 TRP C CZ3 1 ATOM 3697 C CH2 . TRP C 3 48 ? -33.258 42.660 -27.293 1.00 36.03 ? 134 TRP C CH2 1 ATOM 3698 N N . CYS C 3 49 ? -30.269 44.479 -20.138 1.00 23.09 ? 135 CYS C N 1 ATOM 3699 C CA . CYS C 3 49 ? -29.816 43.681 -18.976 1.00 23.11 ? 135 CYS C CA 1 ATOM 3700 C C . CYS C 3 49 ? -30.947 43.024 -18.195 1.00 23.97 ? 135 CYS C C 1 ATOM 3701 O O . CYS C 3 49 ? -30.703 42.083 -17.429 1.00 19.54 ? 135 CYS C O 1 ATOM 3702 C CB . CYS C 3 49 ? -28.976 44.540 -18.033 1.00 24.08 ? 135 CYS C CB 1 ATOM 3703 S SG . CYS C 3 49 ? -27.529 45.319 -18.791 1.00 28.09 ? 135 CYS C SG 1 ATOM 3704 N N . SER C 3 50 ? -32.158 43.600 -18.285 1.00 20.54 ? 136 SER C N 1 ATOM 3705 C CA . SER C 3 50 ? -33.283 43.156 -17.476 1.00 20.03 ? 136 SER C CA 1 ATOM 3706 C C . SER C 3 50 ? -34.593 43.677 -18.050 1.00 25.58 ? 136 SER C C 1 ATOM 3707 O O . SER C 3 50 ? -34.593 44.689 -18.750 1.00 23.66 ? 136 SER C O 1 ATOM 3708 C CB . SER C 3 50 ? -33.135 43.729 -16.067 1.00 21.76 ? 136 SER C CB 1 ATOM 3709 O OG . SER C 3 50 ? -34.141 43.243 -15.201 1.00 28.05 ? 136 SER C OG 1 ATOM 3710 N N . LYS C 3 51 ? -35.700 43.008 -17.697 1.00 23.27 ? 137 LYS C N 1 ATOM 3711 C CA . LYS C 3 51 ? -37.067 43.415 -18.009 1.00 24.54 ? 137 LYS C CA 1 ATOM 3712 C C . LYS C 3 51 ? -37.572 44.298 -16.856 1.00 29.34 ? 137 LYS C C 1 ATOM 3713 O O . LYS C 3 51 ? -38.528 45.058 -17.024 1.00 30.24 ? 137 LYS C O 1 ATOM 3714 C CB . LYS C 3 51 ? -37.957 42.185 -18.215 1.00 28.08 ? 137 LYS C CB 1 ATOM 3715 C CG . LYS C 3 51 ? -37.835 41.606 -19.617 1.00 43.79 ? 137 LYS C CG 1 ATOM 3716 C CD . LYS C 3 51 ? -37.910 40.086 -19.645 1.00 56.19 ? 137 LYS C CD 1 ATOM 3717 C CE . LYS C 3 51 ? -37.411 39.565 -20.973 1.00 67.56 ? 137 LYS C CE 1 ATOM 3718 N NZ . LYS C 3 51 ? -37.355 38.082 -21.000 1.00 76.54 ? 137 LYS C NZ 1 ATOM 3719 N N . SER C 3 52 ? -36.873 44.241 -15.701 1.00 24.95 ? 138 SER C N 1 ATOM 3720 C CA . SER C 3 52 ? -37.190 44.979 -14.471 1.00 24.63 ? 138 SER C CA 1 ATOM 3721 C C . SER C 3 52 ? -36.537 46.370 -14.399 1.00 27.40 ? 138 SER C C 1 ATOM 3722 O O . SER C 3 52 ? -35.306 46.465 -14.365 1.00 24.65 ? 138 SER C O 1 ATOM 3723 C CB . SER C 3 52 ? -36.812 44.139 -13.247 1.00 27.32 ? 138 SER C CB 1 ATOM 3724 O OG . SER C 3 52 ? -36.729 44.864 -12.029 1.00 32.41 ? 138 SER C OG 1 ATOM 3725 N N . ASP C 3 53 ? -37.380 47.445 -14.331 1.00 23.95 ? 139 ASP C N 1 ATOM 3726 C CA . ASP C 3 53 ? -36.957 48.845 -14.212 1.00 24.22 ? 139 ASP C CA 1 ATOM 3727 C C . ASP C 3 53 ? -36.125 49.062 -12.940 1.00 28.87 ? 139 ASP C C 1 ATOM 3728 O O . ASP C 3 53 ? -35.162 49.821 -12.964 1.00 28.58 ? 139 ASP C O 1 ATOM 3729 C CB . ASP C 3 53 ? -38.191 49.784 -14.176 1.00 26.87 ? 139 ASP C CB 1 ATOM 3730 C CG . ASP C 3 53 ? -38.894 50.050 -15.500 1.00 43.18 ? 139 ASP C CG 1 ATOM 3731 O OD1 . ASP C 3 53 ? -38.278 49.809 -16.564 1.00 46.03 ? 139 ASP C OD1 1 ATOM 3732 O OD2 . ASP C 3 53 ? -40.029 50.580 -15.472 1.00 50.53 ? 139 ASP C OD2 1 ATOM 3733 N N . ASP C 3 54 ? -36.515 48.407 -11.826 1.00 26.11 ? 140 ASP C N 1 ATOM 3734 C CA . ASP C 3 54 ? -35.828 48.475 -10.539 1.00 25.25 ? 140 ASP C CA 1 ATOM 3735 C C . ASP C 3 54 ? -34.390 47.861 -10.600 1.00 25.42 ? 140 ASP C C 1 ATOM 3736 O O . ASP C 3 54 ? -33.461 48.446 -10.045 1.00 25.48 ? 140 ASP C O 1 ATOM 3737 C CB . ASP C 3 54 ? -36.684 47.818 -9.448 1.00 27.60 ? 140 ASP C CB 1 ATOM 3738 C CG . ASP C 3 54 ? -37.751 48.744 -8.897 1.00 52.92 ? 140 ASP C CG 1 ATOM 3739 O OD1 . ASP C 3 54 ? -38.457 49.395 -9.711 1.00 55.89 ? 140 ASP C OD1 1 ATOM 3740 O OD2 . ASP C 3 54 ? -37.876 48.835 -7.650 1.00 62.71 ? 140 ASP C OD2 1 ATOM 3741 N N . GLN C 3 55 ? -34.207 46.731 -11.297 1.00 20.68 ? 141 GLN C N 1 ATOM 3742 C CA . GLN C 3 55 ? -32.851 46.140 -11.440 1.00 20.36 ? 141 GLN C CA 1 ATOM 3743 C C . GLN C 3 55 ? -31.956 47.061 -12.272 1.00 22.16 ? 141 GLN C C 1 ATOM 3744 O O . GLN C 3 55 ? -30.824 47.295 -11.886 1.00 21.00 ? 141 GLN C O 1 ATOM 3745 C CB . GLN C 3 55 ? -32.893 44.732 -12.038 1.00 21.38 ? 141 GLN C CB 1 ATOM 3746 C CG . GLN C 3 55 ? -33.548 43.725 -11.108 1.00 19.59 ? 141 GLN C CG 1 ATOM 3747 C CD . GLN C 3 55 ? -33.474 42.321 -11.642 1.00 29.65 ? 141 GLN C CD 1 ATOM 3748 O OE1 . GLN C 3 55 ? -33.620 42.073 -12.839 1.00 21.26 ? 141 GLN C OE1 1 ATOM 3749 N NE2 . GLN C 3 55 ? -33.321 41.356 -10.744 1.00 18.33 ? 141 GLN C NE2 1 ATOM 3750 N N . ILE C 3 56 ? -32.506 47.672 -13.347 1.00 20.16 ? 142 ILE C N 1 ATOM 3751 C CA . ILE C 3 56 ? -31.786 48.624 -14.211 1.00 20.19 ? 142 ILE C CA 1 ATOM 3752 C C . ILE C 3 56 ? -31.408 49.865 -13.406 1.00 26.15 ? 142 ILE C C 1 ATOM 3753 O O . ILE C 3 56 ? -30.249 50.282 -13.430 1.00 24.86 ? 142 ILE C O 1 ATOM 3754 C CB . ILE C 3 56 ? -32.610 48.964 -15.483 1.00 22.74 ? 142 ILE C CB 1 ATOM 3755 C CG1 . ILE C 3 56 ? -32.775 47.705 -16.384 1.00 22.66 ? 142 ILE C CG1 1 ATOM 3756 C CG2 . ILE C 3 56 ? -31.982 50.160 -16.267 1.00 23.06 ? 142 ILE C CG2 1 ATOM 3757 C CD1 . ILE C 3 56 ? -33.975 47.801 -17.463 1.00 26.18 ? 142 ILE C CD1 1 ATOM 3758 N N . TRP C 3 57 ? -32.385 50.437 -12.676 1.00 25.58 ? 143 TRP C N 1 ATOM 3759 C CA . TRP C 3 57 ? -32.190 51.626 -11.843 1.00 25.81 ? 143 TRP C CA 1 ATOM 3760 C C . TRP C 3 57 ? -31.093 51.437 -10.802 1.00 25.88 ? 143 TRP C C 1 ATOM 3761 O O . TRP C 3 57 ? -30.219 52.297 -10.679 1.00 25.31 ? 143 TRP C O 1 ATOM 3762 C CB . TRP C 3 57 ? -33.511 52.073 -11.189 1.00 26.66 ? 143 TRP C CB 1 ATOM 3763 C CG . TRP C 3 57 ? -33.403 53.418 -10.543 1.00 29.82 ? 143 TRP C CG 1 ATOM 3764 C CD1 . TRP C 3 57 ? -33.540 54.633 -11.155 1.00 33.36 ? 143 TRP C CD1 1 ATOM 3765 C CD2 . TRP C 3 57 ? -32.964 53.690 -9.205 1.00 30.26 ? 143 TRP C CD2 1 ATOM 3766 N NE1 . TRP C 3 57 ? -33.254 55.645 -10.268 1.00 33.68 ? 143 TRP C NE1 1 ATOM 3767 C CE2 . TRP C 3 57 ? -32.897 55.094 -9.062 1.00 35.23 ? 143 TRP C CE2 1 ATOM 3768 C CE3 . TRP C 3 57 ? -32.660 52.882 -8.096 1.00 32.21 ? 143 TRP C CE3 1 ATOM 3769 C CZ2 . TRP C 3 57 ? -32.537 55.707 -7.856 1.00 35.15 ? 143 TRP C CZ2 1 ATOM 3770 C CZ3 . TRP C 3 57 ? -32.284 53.486 -6.907 1.00 34.38 ? 143 TRP C CZ3 1 ATOM 3771 C CH2 . TRP C 3 57 ? -32.242 54.881 -6.788 1.00 35.40 ? 143 TRP C CH2 1 ATOM 3772 N N . LEU C 3 58 ? -31.148 50.336 -10.027 1.00 19.42 ? 144 LEU C N 1 ATOM 3773 C CA . LEU C 3 58 ? -30.142 50.051 -9.008 1.00 17.36 ? 144 LEU C CA 1 ATOM 3774 C C . LEU C 3 58 ? -28.743 49.851 -9.604 1.00 18.04 ? 144 LEU C C 1 ATOM 3775 O O . LEU C 3 58 ? -27.780 50.279 -9.004 1.00 17.98 ? 144 LEU C O 1 ATOM 3776 C CB . LEU C 3 58 ? -30.534 48.843 -8.128 1.00 17.28 ? 144 LEU C CB 1 ATOM 3777 C CG . LEU C 3 58 ? -29.689 48.617 -6.850 1.00 21.87 ? 144 LEU C CG 1 ATOM 3778 C CD1 . LEU C 3 58 ? -29.620 49.877 -5.967 1.00 22.46 ? 144 LEU C CD1 1 ATOM 3779 C CD2 . LEU C 3 58 ? -30.224 47.448 -6.039 1.00 23.79 ? 144 LEU C CD2 1 ATOM 3780 N N . SER C 3 59 ? -28.636 49.188 -10.752 1.00 15.71 ? 145 SER C N 1 ATOM 3781 C CA . SER C 3 59 ? -27.353 48.956 -11.399 1.00 15.49 ? 145 SER C CA 1 ATOM 3782 C C . SER C 3 59 ? -26.745 50.327 -11.816 1.00 21.44 ? 145 SER C C 1 ATOM 3783 O O . SER C 3 59 ? -25.581 50.609 -11.511 1.00 19.21 ? 145 SER C O 1 ATOM 3784 C CB . SER C 3 59 ? -27.548 48.046 -12.606 1.00 18.21 ? 145 SER C CB 1 ATOM 3785 O OG . SER C 3 59 ? -28.093 46.793 -12.220 1.00 20.28 ? 145 SER C OG 1 ATOM 3786 N N . GLN C 3 60 ? -27.566 51.209 -12.435 1.00 19.29 ? 146 GLN C N 1 ATOM 3787 C CA . GLN C 3 60 ? -27.104 52.540 -12.864 1.00 18.76 ? 146 GLN C CA 1 ATOM 3788 C C . GLN C 3 60 ? -26.705 53.426 -11.693 1.00 25.03 ? 146 GLN C C 1 ATOM 3789 O O . GLN C 3 60 ? -25.704 54.146 -11.793 1.00 23.52 ? 146 GLN C O 1 ATOM 3790 C CB . GLN C 3 60 ? -28.132 53.247 -13.758 1.00 19.15 ? 146 GLN C CB 1 ATOM 3791 C CG . GLN C 3 60 ? -28.465 52.481 -15.038 1.00 15.89 ? 146 GLN C CG 1 ATOM 3792 C CD . GLN C 3 60 ? -29.680 53.028 -15.740 1.00 33.50 ? 146 GLN C CD 1 ATOM 3793 O OE1 . GLN C 3 60 ? -30.592 53.617 -15.130 1.00 27.68 ? 146 GLN C OE1 1 ATOM 3794 N NE2 . GLN C 3 60 ? -29.735 52.808 -17.040 1.00 24.11 ? 146 GLN C NE2 1 ATOM 3795 N N . TRP C 3 61 ? -27.467 53.349 -10.570 1.00 23.50 ? 147 TRP C N 1 ATOM 3796 C CA . TRP C 3 61 ? -27.188 54.103 -9.351 1.00 22.47 ? 147 TRP C CA 1 ATOM 3797 C C . TRP C 3 61 ? -25.827 53.685 -8.808 1.00 23.94 ? 147 TRP C C 1 ATOM 3798 O O . TRP C 3 61 ? -25.014 54.548 -8.500 1.00 22.87 ? 147 TRP C O 1 ATOM 3799 C CB . TRP C 3 61 ? -28.277 53.879 -8.284 1.00 21.11 ? 147 TRP C CB 1 ATOM 3800 C CG . TRP C 3 61 ? -28.120 54.765 -7.078 1.00 22.15 ? 147 TRP C CG 1 ATOM 3801 C CD1 . TRP C 3 61 ? -28.715 55.976 -6.873 1.00 25.17 ? 147 TRP C CD1 1 ATOM 3802 C CD2 . TRP C 3 61 ? -27.269 54.540 -5.943 1.00 21.81 ? 147 TRP C CD2 1 ATOM 3803 N NE1 . TRP C 3 61 ? -28.281 56.524 -5.689 1.00 24.40 ? 147 TRP C NE1 1 ATOM 3804 C CE2 . TRP C 3 61 ? -27.371 55.679 -5.110 1.00 25.52 ? 147 TRP C CE2 1 ATOM 3805 C CE3 . TRP C 3 61 ? -26.436 53.476 -5.537 1.00 23.01 ? 147 TRP C CE3 1 ATOM 3806 C CZ2 . TRP C 3 61 ? -26.692 55.778 -3.888 1.00 24.73 ? 147 TRP C CZ2 1 ATOM 3807 C CZ3 . TRP C 3 61 ? -25.737 53.590 -4.338 1.00 23.96 ? 147 TRP C CZ3 1 ATOM 3808 C CH2 . TRP C 3 61 ? -25.890 54.713 -3.514 1.00 24.58 ? 147 TRP C CH2 1 ATOM 3809 N N . PHE C 3 62 ? -25.595 52.367 -8.658 1.00 18.04 ? 148 PHE C N 1 ATOM 3810 C CA . PHE C 3 62 ? -24.326 51.843 -8.146 1.00 16.80 ? 148 PHE C CA 1 ATOM 3811 C C . PHE C 3 62 ? -23.149 52.361 -8.991 1.00 19.85 ? 148 PHE C C 1 ATOM 3812 O O . PHE C 3 62 ? -22.169 52.844 -8.437 1.00 20.10 ? 148 PHE C O 1 ATOM 3813 C CB . PHE C 3 62 ? -24.357 50.287 -8.151 1.00 18.20 ? 148 PHE C CB 1 ATOM 3814 C CG . PHE C 3 62 ? -23.039 49.670 -7.737 1.00 18.58 ? 148 PHE C CG 1 ATOM 3815 C CD1 . PHE C 3 62 ? -22.693 49.560 -6.393 1.00 21.20 ? 148 PHE C CD1 1 ATOM 3816 C CD2 . PHE C 3 62 ? -22.119 49.250 -8.693 1.00 20.21 ? 148 PHE C CD2 1 ATOM 3817 C CE1 . PHE C 3 62 ? -21.463 49.013 -6.017 1.00 22.36 ? 148 PHE C CE1 1 ATOM 3818 C CE2 . PHE C 3 62 ? -20.882 48.725 -8.315 1.00 22.51 ? 148 PHE C CE2 1 ATOM 3819 C CZ . PHE C 3 62 ? -20.576 48.571 -6.982 1.00 19.66 ? 148 PHE C CZ 1 ATOM 3820 N N . MET C 3 63 ? -23.234 52.214 -10.319 1.00 17.91 ? 149 MET C N 1 ATOM 3821 C CA . MET C 3 63 ? -22.182 52.655 -11.241 1.00 17.53 ? 149 MET C CA 1 ATOM 3822 C C . MET C 3 63 ? -21.932 54.182 -11.124 1.00 24.45 ? 149 MET C C 1 ATOM 3823 O O . MET C 3 63 ? -20.785 54.594 -10.989 1.00 23.65 ? 149 MET C O 1 ATOM 3824 C CB . MET C 3 63 ? -22.478 52.184 -12.667 1.00 18.96 ? 149 MET C CB 1 ATOM 3825 C CG . MET C 3 63 ? -22.356 50.665 -12.829 1.00 20.27 ? 149 MET C CG 1 ATOM 3826 S SD . MET C 3 63 ? -20.753 49.993 -12.219 1.00 22.82 ? 149 MET C SD 1 ATOM 3827 C CE . MET C 3 63 ? -19.650 50.460 -13.594 1.00 19.97 ? 149 MET C CE 1 ATOM 3828 N N . ASN C 3 64 ? -23.012 54.990 -11.017 1.00 22.64 ? 150 ASN C N 1 ATOM 3829 C CA . ASN C 3 64 ? -22.873 56.437 -10.796 1.00 22.49 ? 150 ASN C CA 1 ATOM 3830 C C . ASN C 3 64 ? -22.234 56.738 -9.429 1.00 25.67 ? 150 ASN C C 1 ATOM 3831 O O . ASN C 3 64 ? -21.368 57.610 -9.344 1.00 24.00 ? 150 ASN C O 1 ATOM 3832 C CB . ASN C 3 64 ? -24.227 57.150 -10.928 1.00 21.08 ? 150 ASN C CB 1 ATOM 3833 C CG . ASN C 3 64 ? -24.734 57.239 -12.347 1.00 29.94 ? 150 ASN C CG 1 ATOM 3834 O OD1 . ASN C 3 64 ? -23.976 57.427 -13.303 1.00 27.55 ? 150 ASN C OD1 1 ATOM 3835 N ND2 . ASN C 3 64 ? -26.043 57.101 -12.516 1.00 20.01 ? 150 ASN C ND2 1 ATOM 3836 N N . ALA C 3 65 ? -22.640 55.987 -8.369 1.00 21.32 ? 151 ALA C N 1 ATOM 3837 C CA . ALA C 3 65 ? -22.158 56.170 -7.002 1.00 20.96 ? 151 ALA C CA 1 ATOM 3838 C C . ALA C 3 65 ? -20.664 55.856 -6.814 1.00 25.86 ? 151 ALA C C 1 ATOM 3839 O O . ALA C 3 65 ? -20.047 56.401 -5.896 1.00 26.89 ? 151 ALA C O 1 ATOM 3840 C CB . ALA C 3 65 ? -23.009 55.366 -6.031 1.00 21.84 ? 151 ALA C CB 1 ATOM 3841 N N . VAL C 3 66 ? -20.076 55.009 -7.683 1.00 21.11 ? 152 VAL C N 1 ATOM 3842 C CA . VAL C 3 66 ? -18.646 54.668 -7.616 1.00 21.23 ? 152 VAL C CA 1 ATOM 3843 C C . VAL C 3 66 ? -17.820 55.571 -8.567 1.00 25.88 ? 152 VAL C C 1 ATOM 3844 O O . VAL C 3 66 ? -16.601 55.450 -8.639 1.00 25.71 ? 152 VAL C O 1 ATOM 3845 C CB . VAL C 3 66 ? -18.328 53.142 -7.781 1.00 25.27 ? 152 VAL C CB 1 ATOM 3846 C CG1 . VAL C 3 66 ? -18.987 52.329 -6.673 1.00 24.76 ? 152 VAL C CG1 1 ATOM 3847 C CG2 . VAL C 3 66 ? -18.720 52.606 -9.155 1.00 25.58 ? 152 VAL C CG2 1 ATOM 3848 N N . GLY C 3 67 ? -18.499 56.481 -9.263 1.00 22.47 ? 153 GLY C N 1 ATOM 3849 C CA . GLY C 3 67 ? -17.854 57.441 -10.142 1.00 21.72 ? 153 GLY C CA 1 ATOM 3850 C C . GLY C 3 67 ? -17.557 56.942 -11.528 1.00 26.95 ? 153 GLY C C 1 ATOM 3851 O O . GLY C 3 67 ? -16.641 57.451 -12.176 1.00 28.32 ? 153 GLY C O 1 ATOM 3852 N N . HIS C 3 68 ? -18.357 56.002 -12.033 1.00 21.34 ? 154 HIS C N 1 ATOM 3853 C CA . HIS C 3 68 ? -18.144 55.506 -13.381 1.00 20.97 ? 154 HIS C CA 1 ATOM 3854 C C . HIS C 3 68 ? -18.481 56.580 -14.456 1.00 26.25 ? 154 HIS C C 1 ATOM 3855 O O . HIS C 3 68 ? -19.532 57.224 -14.379 1.00 26.07 ? 154 HIS C O 1 ATOM 3856 C CB . HIS C 3 68 ? -18.953 54.204 -13.598 1.00 20.09 ? 154 HIS C CB 1 ATOM 3857 C CG . HIS C 3 68 ? -18.789 53.578 -14.945 1.00 22.14 ? 154 HIS C CG 1 ATOM 3858 N ND1 . HIS C 3 68 ? -17.635 52.881 -15.287 1.00 23.12 ? 154 HIS C ND1 1 ATOM 3859 C CD2 . HIS C 3 68 ? -19.652 53.527 -15.987 1.00 22.76 ? 154 HIS C CD2 1 ATOM 3860 C CE1 . HIS C 3 68 ? -17.828 52.446 -16.521 1.00 21.59 ? 154 HIS C CE1 1 ATOM 3861 N NE2 . HIS C 3 68 ? -19.026 52.813 -16.987 1.00 22.43 ? 154 HIS C NE2 1 ATOM 3862 N N . ASP C 3 69 ? -17.565 56.781 -15.421 1.00 22.70 ? 155 ASP C N 1 ATOM 3863 C CA . ASP C 3 69 ? -17.762 57.665 -16.567 1.00 21.91 ? 155 ASP C CA 1 ATOM 3864 C C . ASP C 3 69 ? -18.197 56.775 -17.715 1.00 25.17 ? 155 ASP C C 1 ATOM 3865 O O . ASP C 3 69 ? -17.373 56.104 -18.346 1.00 25.55 ? 155 ASP C O 1 ATOM 3866 C CB . ASP C 3 69 ? -16.489 58.471 -16.910 1.00 23.27 ? 155 ASP C CB 1 ATOM 3867 C CG . ASP C 3 69 ? -16.678 59.517 -18.014 1.00 30.80 ? 155 ASP C CG 1 ATOM 3868 O OD1 . ASP C 3 69 ? -17.392 59.217 -19.017 1.00 30.48 ? 155 ASP C OD1 1 ATOM 3869 O OD2 . ASP C 3 69 ? -15.998 60.562 -17.958 1.00 31.84 ? 155 ASP C OD2 1 ATOM 3870 N N . TRP C 3 70 ? -19.506 56.749 -17.976 1.00 22.10 ? 156 TRP C N 1 ATOM 3871 C CA . TRP C 3 70 ? -20.120 55.894 -18.994 1.00 22.08 ? 156 TRP C CA 1 ATOM 3872 C C . TRP C 3 70 ? -19.415 55.931 -20.368 1.00 31.89 ? 156 TRP C C 1 ATOM 3873 O O . TRP C 3 70 ? -19.226 54.873 -20.980 1.00 34.17 ? 156 TRP C O 1 ATOM 3874 C CB . TRP C 3 70 ? -21.616 56.216 -19.127 1.00 19.44 ? 156 TRP C CB 1 ATOM 3875 C CG . TRP C 3 70 ? -22.368 55.981 -17.848 1.00 18.92 ? 156 TRP C CG 1 ATOM 3876 C CD1 . TRP C 3 70 ? -22.533 56.860 -16.826 1.00 21.52 ? 156 TRP C CD1 1 ATOM 3877 C CD2 . TRP C 3 70 ? -23.003 54.754 -17.433 1.00 18.08 ? 156 TRP C CD2 1 ATOM 3878 N NE1 . TRP C 3 70 ? -23.248 56.270 -15.801 1.00 20.85 ? 156 TRP C NE1 1 ATOM 3879 C CE2 . TRP C 3 70 ? -23.544 54.978 -16.146 1.00 20.89 ? 156 TRP C CE2 1 ATOM 3880 C CE3 . TRP C 3 70 ? -23.157 53.482 -18.022 1.00 18.70 ? 156 TRP C CE3 1 ATOM 3881 C CZ2 . TRP C 3 70 ? -24.226 53.986 -15.435 1.00 19.15 ? 156 TRP C CZ2 1 ATOM 3882 C CZ3 . TRP C 3 70 ? -23.850 52.503 -17.320 1.00 18.66 ? 156 TRP C CZ3 1 ATOM 3883 C CH2 . TRP C 3 70 ? -24.389 52.763 -16.051 1.00 18.39 ? 156 TRP C CH2 1 ATOM 3884 N N . TYR C 3 71 ? -18.963 57.120 -20.811 1.00 29.60 ? 157 TYR C N 1 ATOM 3885 C CA . TYR C 3 71 ? -18.315 57.235 -22.117 1.00 31.00 ? 157 TYR C CA 1 ATOM 3886 C C . TYR C 3 71 ? -16.784 57.040 -22.109 1.00 30.81 ? 157 TYR C C 1 ATOM 3887 O O . TYR C 3 71 ? -16.287 56.364 -23.004 1.00 31.51 ? 157 TYR C O 1 ATOM 3888 C CB . TYR C 3 71 ? -18.686 58.565 -22.815 1.00 34.23 ? 157 TYR C CB 1 ATOM 3889 C CG . TYR C 3 71 ? -18.094 58.713 -24.203 1.00 38.67 ? 157 TYR C CG 1 ATOM 3890 C CD1 . TYR C 3 71 ? -18.515 57.899 -25.256 1.00 41.33 ? 157 TYR C CD1 1 ATOM 3891 C CD2 . TYR C 3 71 ? -17.111 59.666 -24.467 1.00 39.99 ? 157 TYR C CD2 1 ATOM 3892 C CE1 . TYR C 3 71 ? -17.965 58.025 -26.534 1.00 42.72 ? 157 TYR C CE1 1 ATOM 3893 C CE2 . TYR C 3 71 ? -16.545 59.789 -25.737 1.00 41.06 ? 157 TYR C CE2 1 ATOM 3894 C CZ . TYR C 3 71 ? -16.982 58.973 -26.770 1.00 50.60 ? 157 TYR C CZ 1 ATOM 3895 O OH . TYR C 3 71 ? -16.445 59.113 -28.030 1.00 54.31 ? 157 TYR C OH 1 ATOM 3896 N N . LEU C 3 72 ? -16.058 57.608 -21.135 1.00 24.22 ? 158 LEU C N 1 ATOM 3897 C CA . LEU C 3 72 ? -14.585 57.563 -21.120 1.00 24.31 ? 158 LEU C CA 1 ATOM 3898 C C . LEU C 3 72 ? -13.972 56.389 -20.356 1.00 26.89 ? 158 LEU C C 1 ATOM 3899 O O . LEU C 3 72 ? -12.847 56.001 -20.668 1.00 26.64 ? 158 LEU C O 1 ATOM 3900 C CB . LEU C 3 72 ? -13.971 58.891 -20.624 1.00 24.55 ? 158 LEU C CB 1 ATOM 3901 C CG . LEU C 3 72 ? -14.357 60.148 -21.435 1.00 29.60 ? 158 LEU C CG 1 ATOM 3902 C CD1 . LEU C 3 72 ? -14.035 61.398 -20.686 1.00 29.46 ? 158 LEU C CD1 1 ATOM 3903 C CD2 . LEU C 3 72 ? -13.708 60.154 -22.810 1.00 33.77 ? 158 LEU C CD2 1 ATOM 3904 N N . ASP C 3 73 ? -14.693 55.815 -19.381 1.00 21.28 ? 159 ASP C N 1 ATOM 3905 C CA . ASP C 3 73 ? -14.149 54.662 -18.651 1.00 19.99 ? 159 ASP C CA 1 ATOM 3906 C C . ASP C 3 73 ? -14.344 53.377 -19.475 1.00 23.25 ? 159 ASP C C 1 ATOM 3907 O O . ASP C 3 73 ? -15.132 53.376 -20.435 1.00 21.82 ? 159 ASP C O 1 ATOM 3908 C CB . ASP C 3 73 ? -14.786 54.539 -17.255 1.00 20.77 ? 159 ASP C CB 1 ATOM 3909 C CG . ASP C 3 73 ? -14.261 55.542 -16.243 1.00 23.25 ? 159 ASP C CG 1 ATOM 3910 O OD1 . ASP C 3 73 ? -13.141 56.046 -16.434 1.00 25.65 ? 159 ASP C OD1 1 ATOM 3911 O OD2 . ASP C 3 73 ? -14.963 55.807 -15.252 1.00 23.96 ? 159 ASP C OD2 1 ATOM 3912 N N . PRO C 3 74 ? -13.622 52.280 -19.160 1.00 19.74 ? 160 PRO C N 1 ATOM 3913 C CA . PRO C 3 74 ? -13.836 51.043 -19.928 1.00 19.38 ? 160 PRO C CA 1 ATOM 3914 C C . PRO C 3 74 ? -15.304 50.602 -19.836 1.00 20.61 ? 160 PRO C C 1 ATOM 3915 O O . PRO C 3 74 ? -15.930 50.778 -18.787 1.00 17.91 ? 160 PRO C O 1 ATOM 3916 C CB . PRO C 3 74 ? -12.907 50.027 -19.252 1.00 20.62 ? 160 PRO C CB 1 ATOM 3917 C CG . PRO C 3 74 ? -11.923 50.843 -18.470 1.00 25.07 ? 160 PRO C CG 1 ATOM 3918 C CD . PRO C 3 74 ? -12.601 52.101 -18.103 1.00 20.54 ? 160 PRO C CD 1 ATOM 3919 N N . PRO C 3 75 ? -15.886 50.058 -20.920 1.00 18.08 ? 161 PRO C N 1 ATOM 3920 C CA . PRO C 3 75 ? -17.274 49.592 -20.828 1.00 18.06 ? 161 PRO C CA 1 ATOM 3921 C C . PRO C 3 75 ? -17.339 48.388 -19.879 1.00 22.80 ? 161 PRO C C 1 ATOM 3922 O O . PRO C 3 75 ? -16.311 47.760 -19.602 1.00 21.78 ? 161 PRO C O 1 ATOM 3923 C CB . PRO C 3 75 ? -17.593 49.133 -22.263 1.00 20.02 ? 161 PRO C CB 1 ATOM 3924 C CG . PRO C 3 75 ? -16.280 48.842 -22.883 1.00 24.44 ? 161 PRO C CG 1 ATOM 3925 C CD . PRO C 3 75 ? -15.297 49.771 -22.248 1.00 20.48 ? 161 PRO C CD 1 ATOM 3926 N N . PHE C 3 76 ? -18.530 48.064 -19.398 1.00 18.92 ? 162 PHE C N 1 ATOM 3927 C CA . PHE C 3 76 ? -18.708 46.892 -18.543 1.00 17.47 ? 162 PHE C CA 1 ATOM 3928 C C . PHE C 3 76 ? -19.694 45.954 -19.211 1.00 21.89 ? 162 PHE C C 1 ATOM 3929 O O . PHE C 3 76 ? -19.994 46.140 -20.397 1.00 20.94 ? 162 PHE C O 1 ATOM 3930 C CB . PHE C 3 76 ? -19.008 47.233 -17.076 1.00 17.73 ? 162 PHE C CB 1 ATOM 3931 C CG . PHE C 3 76 ? -20.310 47.940 -16.828 1.00 19.11 ? 162 PHE C CG 1 ATOM 3932 C CD1 . PHE C 3 76 ? -20.420 49.315 -17.012 1.00 21.66 ? 162 PHE C CD1 1 ATOM 3933 C CD2 . PHE C 3 76 ? -21.420 47.242 -16.368 1.00 21.57 ? 162 PHE C CD2 1 ATOM 3934 C CE1 . PHE C 3 76 ? -21.626 49.974 -16.762 1.00 23.16 ? 162 PHE C CE1 1 ATOM 3935 C CE2 . PHE C 3 76 ? -22.621 47.901 -16.105 1.00 24.95 ? 162 PHE C CE2 1 ATOM 3936 C CZ . PHE C 3 76 ? -22.716 49.266 -16.306 1.00 23.00 ? 162 PHE C CZ 1 ATOM 3937 N N . LEU C 3 77 ? -20.103 44.879 -18.521 1.00 16.81 ? 163 LEU C N 1 ATOM 3938 C CA . LEU C 3 77 ? -20.904 43.853 -19.153 1.00 15.76 ? 163 LEU C CA 1 ATOM 3939 C C . LEU C 3 77 ? -22.120 43.468 -18.367 1.00 19.81 ? 163 LEU C C 1 ATOM 3940 O O . LEU C 3 77 ? -22.106 43.577 -17.147 1.00 16.94 ? 163 LEU C O 1 ATOM 3941 C CB . LEU C 3 77 ? -20.017 42.593 -19.281 1.00 16.32 ? 163 LEU C CB 1 ATOM 3942 C CG . LEU C 3 77 ? -18.738 42.707 -20.112 1.00 20.81 ? 163 LEU C CG 1 ATOM 3943 C CD1 . LEU C 3 77 ? -17.873 41.460 -19.922 1.00 20.59 ? 163 LEU C CD1 1 ATOM 3944 C CD2 . LEU C 3 77 ? -19.075 42.925 -21.612 1.00 22.59 ? 163 LEU C CD2 1 ATOM 3945 N N . CYS C 3 78 ? -23.159 42.972 -19.062 1.00 19.34 ? 164 CYS C N 1 ATOM 3946 C CA . CYS C 3 78 ? -24.309 42.378 -18.392 1.00 20.26 ? 164 CYS C CA 1 ATOM 3947 C C . CYS C 3 78 ? -24.810 41.217 -19.210 1.00 19.62 ? 164 CYS C C 1 ATOM 3948 O O . CYS C 3 78 ? -24.544 41.160 -20.409 1.00 19.73 ? 164 CYS C O 1 ATOM 3949 C CB . CYS C 3 78 ? -25.407 43.389 -18.090 1.00 22.22 ? 164 CYS C CB 1 ATOM 3950 S SG . CYS C 3 78 ? -26.463 43.763 -19.509 1.00 27.43 ? 164 CYS C SG 1 ATOM 3951 N N . ARG C 3 79 ? -25.554 40.297 -18.592 1.00 15.47 ? 165 ARG C N 1 ATOM 3952 C CA . ARG C 3 79 ? -26.128 39.189 -19.333 1.00 14.89 ? 165 ARG C CA 1 ATOM 3953 C C . ARG C 3 79 ? -27.428 39.686 -20.002 1.00 20.72 ? 165 ARG C C 1 ATOM 3954 O O . ARG C 3 79 ? -28.239 40.338 -19.363 1.00 20.20 ? 165 ARG C O 1 ATOM 3955 C CB . ARG C 3 79 ? -26.423 37.994 -18.410 1.00 14.41 ? 165 ARG C CB 1 ATOM 3956 C CG . ARG C 3 79 ? -26.982 36.739 -19.114 1.00 14.78 ? 165 ARG C CG 1 ATOM 3957 C CD . ARG C 3 79 ? -27.130 35.575 -18.138 1.00 13.49 ? 165 ARG C CD 1 ATOM 3958 N NE . ARG C 3 79 ? -25.836 35.008 -17.742 1.00 17.21 ? 165 ARG C NE 1 ATOM 3959 C CZ . ARG C 3 79 ? -25.500 34.661 -16.496 1.00 26.61 ? 165 ARG C CZ 1 ATOM 3960 N NH1 . ARG C 3 79 ? -26.370 34.792 -15.503 1.00 10.76 ? 165 ARG C NH1 1 ATOM 3961 N NH2 . ARG C 3 79 ? -24.303 34.154 -16.243 1.00 18.29 ? 165 ARG C NH2 1 ATOM 3962 N N . ASN C 3 80 ? -27.608 39.360 -21.281 1.00 20.80 ? 166 ASN C N 1 ATOM 3963 C CA . ASN C 3 80 ? -28.792 39.693 -22.065 1.00 20.57 ? 166 ASN C CA 1 ATOM 3964 C C . ASN C 3 80 ? -30.063 39.190 -21.331 1.00 24.04 ? 166 ASN C C 1 ATOM 3965 O O . ASN C 3 80 ? -30.093 38.058 -20.851 1.00 22.94 ? 166 ASN C O 1 ATOM 3966 C CB . ASN C 3 80 ? -28.641 39.039 -23.456 1.00 19.92 ? 166 ASN C CB 1 ATOM 3967 C CG . ASN C 3 80 ? -29.681 39.441 -24.481 1.00 33.86 ? 166 ASN C CG 1 ATOM 3968 O OD1 . ASN C 3 80 ? -30.879 39.457 -24.196 1.00 22.26 ? 166 ASN C OD1 1 ATOM 3969 N ND2 . ASN C 3 80 ? -29.242 39.777 -25.699 1.00 33.00 ? 166 ASN C ND2 1 ATOM 3970 N N . ARG C 3 81 ? -31.086 40.056 -21.198 1.00 22.60 ? 167 ARG C N 1 ATOM 3971 C CA . ARG C 3 81 ? -32.368 39.745 -20.534 1.00 22.56 ? 167 ARG C CA 1 ATOM 3972 C C . ARG C 3 81 ? -33.118 38.511 -21.123 1.00 26.06 ? 167 ARG C C 1 ATOM 3973 O O . ARG C 3 81 ? -33.895 37.878 -20.415 1.00 25.27 ? 167 ARG C O 1 ATOM 3974 C CB . ARG C 3 81 ? -33.286 40.985 -20.512 1.00 23.66 ? 167 ARG C CB 1 ATOM 3975 C CG . ARG C 3 81 ? -33.689 41.480 -21.896 1.00 30.28 ? 167 ARG C CG 1 ATOM 3976 C CD . ARG C 3 81 ? -34.715 42.593 -21.886 1.00 39.58 ? 167 ARG C CD 1 ATOM 3977 N NE . ARG C 3 81 ? -35.260 42.791 -23.233 1.00 38.84 ? 167 ARG C NE 1 ATOM 3978 C CZ . ARG C 3 81 ? -35.039 43.860 -23.991 1.00 53.26 ? 167 ARG C CZ 1 ATOM 3979 N NH1 . ARG C 3 81 ? -34.290 44.859 -23.542 1.00 49.43 ? 167 ARG C NH1 1 ATOM 3980 N NH2 . ARG C 3 81 ? -35.564 43.938 -25.204 1.00 35.82 ? 167 ARG C NH2 1 ATOM 3981 N N . THR C 3 82 ? -32.856 38.165 -22.398 1.00 23.83 ? 168 THR C N 1 ATOM 3982 C CA . THR C 3 82 ? -33.491 37.022 -23.072 1.00 24.84 ? 168 THR C CA 1 ATOM 3983 C C . THR C 3 82 ? -32.964 35.660 -22.553 1.00 28.22 ? 168 THR C C 1 ATOM 3984 O O . THR C 3 82 ? -33.637 34.631 -22.704 1.00 26.76 ? 168 THR C O 1 ATOM 3985 C CB . THR C 3 82 ? -33.379 37.149 -24.601 1.00 33.10 ? 168 THR C CB 1 ATOM 3986 O OG1 . THR C 3 82 ? -32.030 36.910 -24.997 1.00 36.00 ? 168 THR C OG1 1 ATOM 3987 C CG2 . THR C 3 82 ? -33.874 38.512 -25.129 1.00 31.31 ? 168 THR C CG2 1 ATOM 3988 N N . LYS C 3 83 ? -31.752 35.663 -21.955 1.00 23.82 ? 169 LYS C N 1 ATOM 3989 C CA . LYS C 3 83 ? -31.141 34.467 -21.367 1.00 23.34 ? 169 LYS C CA 1 ATOM 3990 C C . LYS C 3 83 ? -31.878 34.170 -20.052 1.00 26.29 ? 169 LYS C C 1 ATOM 3991 O O . LYS C 3 83 ? -32.462 35.086 -19.480 1.00 26.93 ? 169 LYS C O 1 ATOM 3992 C CB . LYS C 3 83 ? -29.634 34.708 -21.115 1.00 25.07 ? 169 LYS C CB 1 ATOM 3993 C CG . LYS C 3 83 ? -28.810 34.951 -22.376 1.00 34.48 ? 169 LYS C CG 1 ATOM 3994 C CD . LYS C 3 83 ? -28.464 33.647 -23.081 1.00 46.53 ? 169 LYS C CD 1 ATOM 3995 C CE . LYS C 3 83 ? -27.742 33.875 -24.380 1.00 59.59 ? 169 LYS C CE 1 ATOM 3996 N NZ . LYS C 3 83 ? -27.937 32.734 -25.319 1.00 72.11 ? 169 LYS C NZ 1 ATOM 3997 N N . THR C 3 84 ? -31.899 32.911 -19.587 1.00 22.15 ? 170 THR C N 1 ATOM 3998 C CA . THR C 3 84 ? -32.615 32.565 -18.339 1.00 20.84 ? 170 THR C CA 1 ATOM 3999 C C . THR C 3 84 ? -31.688 32.257 -17.141 1.00 21.95 ? 170 THR C C 1 ATOM 4000 O O . THR C 3 84 ? -32.178 32.008 -16.042 1.00 20.26 ? 170 THR C O 1 ATOM 4001 C CB . THR C 3 84 ? -33.608 31.399 -18.580 1.00 27.72 ? 170 THR C CB 1 ATOM 4002 O OG1 . THR C 3 84 ? -32.873 30.216 -18.897 1.00 29.29 ? 170 THR C OG1 1 ATOM 4003 C CG2 . THR C 3 84 ? -34.629 31.695 -19.677 1.00 24.59 ? 170 THR C CG2 1 ATOM 4004 N N . GLU C 3 85 ? -30.361 32.273 -17.346 1.00 15.98 ? 171 GLU C N 1 ATOM 4005 C CA . GLU C 3 85 ? -29.386 31.947 -16.303 1.00 15.75 ? 171 GLU C CA 1 ATOM 4006 C C . GLU C 3 85 ? -29.439 32.926 -15.100 1.00 19.99 ? 171 GLU C C 1 ATOM 4007 O O . GLU C 3 85 ? -29.109 32.532 -13.986 1.00 21.30 ? 171 GLU C O 1 ATOM 4008 C CB . GLU C 3 85 ? -27.980 31.823 -16.916 1.00 16.21 ? 171 GLU C CB 1 ATOM 4009 C CG . GLU C 3 85 ? -26.913 31.298 -15.970 1.00 23.74 ? 171 GLU C CG 1 ATOM 4010 C CD . GLU C 3 85 ? -25.553 31.076 -16.610 1.00 35.69 ? 171 GLU C CD 1 ATOM 4011 O OE1 . GLU C 3 85 ? -25.359 31.454 -17.790 1.00 20.19 ? 171 GLU C OE1 1 ATOM 4012 O OE2 . GLU C 3 85 ? -24.671 30.524 -15.920 1.00 30.99 ? 171 GLU C OE2 1 ATOM 4013 N N . GLY C 3 86 ? -29.896 34.155 -15.320 1.00 16.46 ? 172 GLY C N 1 ATOM 4014 C CA . GLY C 3 86 ? -30.052 35.137 -14.246 1.00 15.33 ? 172 GLY C CA 1 ATOM 4015 C C . GLY C 3 86 ? -29.469 36.511 -14.500 1.00 17.06 ? 172 GLY C C 1 ATOM 4016 O O . GLY C 3 86 ? -28.492 36.666 -15.243 1.00 15.72 ? 172 GLY C O 1 ATOM 4017 N N . PHE C 3 87 ? -30.068 37.530 -13.862 1.00 14.02 ? 173 PHE C N 1 ATOM 4018 C CA . PHE C 3 87 ? -29.586 38.909 -13.954 1.00 13.42 ? 173 PHE C CA 1 ATOM 4019 C C . PHE C 3 87 ? -28.152 38.968 -13.378 1.00 15.05 ? 173 PHE C C 1 ATOM 4020 O O . PHE C 3 87 ? -27.879 38.399 -12.318 1.00 12.53 ? 173 PHE C O 1 ATOM 4021 C CB . PHE C 3 87 ? -30.476 39.865 -13.117 1.00 15.03 ? 173 PHE C CB 1 ATOM 4022 C CG . PHE C 3 87 ? -29.932 41.280 -13.104 1.00 15.50 ? 173 PHE C CG 1 ATOM 4023 C CD1 . PHE C 3 87 ? -30.137 42.133 -14.188 1.00 17.38 ? 173 PHE C CD1 1 ATOM 4024 C CD2 . PHE C 3 87 ? -29.166 41.742 -12.033 1.00 14.68 ? 173 PHE C CD2 1 ATOM 4025 C CE1 . PHE C 3 87 ? -29.581 43.421 -14.199 1.00 17.03 ? 173 PHE C CE1 1 ATOM 4026 C CE2 . PHE C 3 87 ? -28.615 43.027 -12.052 1.00 16.45 ? 173 PHE C CE2 1 ATOM 4027 C CZ . PHE C 3 87 ? -28.821 43.852 -13.133 1.00 13.55 ? 173 PHE C CZ 1 ATOM 4028 N N . ILE C 3 88 ? -27.269 39.714 -14.046 1.00 12.32 ? 174 ILE C N 1 ATOM 4029 C CA . ILE C 3 88 ? -25.887 39.902 -13.596 1.00 11.74 ? 174 ILE C CA 1 ATOM 4030 C C . ILE C 3 88 ? -25.207 40.979 -14.406 1.00 14.91 ? 174 ILE C C 1 ATOM 4031 O O . ILE C 3 88 ? -25.367 41.036 -15.631 1.00 13.26 ? 174 ILE C O 1 ATOM 4032 C CB . ILE C 3 88 ? -25.053 38.554 -13.667 1.00 13.45 ? 174 ILE C CB 1 ATOM 4033 C CG1 . ILE C 3 88 ? -23.594 38.728 -13.144 1.00 13.09 ? 174 ILE C CG1 1 ATOM 4034 C CG2 . ILE C 3 88 ? -25.080 37.910 -15.064 1.00 14.98 ? 174 ILE C CG2 1 ATOM 4035 C CD1 . ILE C 3 88 ? -22.806 37.341 -13.004 1.00 12.46 ? 174 ILE C CD1 1 ATOM 4036 N N . PHE C 3 89 ? -24.405 41.785 -13.735 1.00 11.83 ? 175 PHE C N 1 ATOM 4037 C CA . PHE C 3 89 ? -23.527 42.721 -14.416 1.00 12.94 ? 175 PHE C CA 1 ATOM 4038 C C . PHE C 3 89 ? -22.137 42.550 -13.825 1.00 15.81 ? 175 PHE C C 1 ATOM 4039 O O . PHE C 3 89 ? -21.990 42.168 -12.654 1.00 14.29 ? 175 PHE C O 1 ATOM 4040 C CB . PHE C 3 89 ? -24.034 44.175 -14.510 1.00 14.58 ? 175 PHE C CB 1 ATOM 4041 C CG . PHE C 3 89 ? -24.022 44.999 -13.247 1.00 16.42 ? 175 PHE C CG 1 ATOM 4042 C CD1 . PHE C 3 89 ? -22.906 45.751 -12.898 1.00 18.59 ? 175 PHE C CD1 1 ATOM 4043 C CD2 . PHE C 3 89 ? -25.152 45.077 -12.438 1.00 16.16 ? 175 PHE C CD2 1 ATOM 4044 C CE1 . PHE C 3 89 ? -22.916 46.549 -11.745 1.00 18.75 ? 175 PHE C CE1 1 ATOM 4045 C CE2 . PHE C 3 89 ? -25.146 45.856 -11.273 1.00 18.58 ? 175 PHE C CE2 1 ATOM 4046 C CZ . PHE C 3 89 ? -24.038 46.594 -10.941 1.00 17.08 ? 175 PHE C CZ 1 ATOM 4047 N N . GLN C 3 90 ? -21.132 42.760 -14.668 1.00 12.90 ? 176 GLN C N 1 ATOM 4048 C CA . GLN C 3 90 ? -19.734 42.529 -14.315 1.00 12.73 ? 176 GLN C CA 1 ATOM 4049 C C . GLN C 3 90 ? -18.868 43.695 -14.685 1.00 14.96 ? 176 GLN C C 1 ATOM 4050 O O . GLN C 3 90 ? -18.902 44.149 -15.826 1.00 14.52 ? 176 GLN C O 1 ATOM 4051 C CB . GLN C 3 90 ? -19.248 41.280 -15.050 1.00 13.05 ? 176 GLN C CB 1 ATOM 4052 C CG . GLN C 3 90 ? -17.825 40.852 -14.735 1.00 11.82 ? 176 GLN C CG 1 ATOM 4053 C CD . GLN C 3 90 ? -17.457 39.700 -15.598 1.00 22.59 ? 176 GLN C CD 1 ATOM 4054 O OE1 . GLN C 3 90 ? -17.879 38.567 -15.357 1.00 14.18 ? 176 GLN C OE1 1 ATOM 4055 N NE2 . GLN C 3 90 ? -16.714 39.965 -16.648 1.00 15.50 ? 176 GLN C NE2 1 ATOM 4056 N N . VAL C 3 91 ? -18.076 44.152 -13.729 1.00 11.80 ? 177 VAL C N 1 ATOM 4057 C CA . VAL C 3 91 ? -17.123 45.236 -13.935 1.00 11.79 ? 177 VAL C CA 1 ATOM 4058 C C . VAL C 3 91 ? -15.716 44.663 -13.697 1.00 15.91 ? 177 VAL C C 1 ATOM 4059 O O . VAL C 3 91 ? -15.497 43.969 -12.692 1.00 14.84 ? 177 VAL C O 1 ATOM 4060 C CB . VAL C 3 91 ? -17.419 46.418 -12.976 1.00 14.82 ? 177 VAL C CB 1 ATOM 4061 C CG1 . VAL C 3 91 ? -16.408 47.558 -13.166 1.00 14.45 ? 177 VAL C CG1 1 ATOM 4062 C CG2 . VAL C 3 91 ? -18.840 46.928 -13.177 1.00 15.19 ? 177 VAL C CG2 1 ATOM 4063 N N . ASN C 3 92 ? -14.768 44.987 -14.589 1.00 11.71 ? 178 ASN C N 1 ATOM 4064 C CA . ASN C 3 92 ? -13.375 44.571 -14.403 1.00 11.70 ? 178 ASN C CA 1 ATOM 4065 C C . ASN C 3 92 ? -12.658 45.548 -13.437 1.00 16.59 ? 178 ASN C C 1 ATOM 4066 O O . ASN C 3 92 ? -12.446 46.735 -13.768 1.00 15.74 ? 178 ASN C O 1 ATOM 4067 C CB . ASN C 3 92 ? -12.669 44.516 -15.742 1.00 16.14 ? 178 ASN C CB 1 ATOM 4068 C CG . ASN C 3 92 ? -11.376 43.757 -15.691 1.00 24.46 ? 178 ASN C CG 1 ATOM 4069 O OD1 . ASN C 3 92 ? -10.820 43.490 -14.625 1.00 13.56 ? 178 ASN C OD1 1 ATOM 4070 N ND2 . ASN C 3 92 ? -10.927 43.379 -16.849 1.00 18.51 ? 178 ASN C ND2 1 ATOM 4071 N N . THR C 3 93 ? -12.299 45.047 -12.240 1.00 11.51 ? 179 THR C N 1 ATOM 4072 C CA . THR C 3 93 ? -11.656 45.840 -11.191 1.00 12.25 ? 179 THR C CA 1 ATOM 4073 C C . THR C 3 93 ? -10.205 45.366 -10.956 1.00 15.37 ? 179 THR C C 1 ATOM 4074 O O . THR C 3 93 ? -9.641 45.565 -9.870 1.00 15.61 ? 179 THR C O 1 ATOM 4075 C CB . THR C 3 93 ? -12.553 45.847 -9.932 1.00 22.16 ? 179 THR C CB 1 ATOM 4076 O OG1 . THR C 3 93 ? -12.603 44.513 -9.401 1.00 22.77 ? 179 THR C OG1 1 ATOM 4077 C CG2 . THR C 3 93 ? -14.003 46.357 -10.229 1.00 15.91 ? 179 THR C CG2 1 ATOM 4078 N N . SER C 3 94 ? -9.602 44.742 -11.994 1.00 12.61 ? 180 SER C N 1 ATOM 4079 C CA . SER C 3 94 ? -8.243 44.201 -11.954 1.00 11.13 ? 180 SER C CA 1 ATOM 4080 C C . SER C 3 94 ? -7.230 45.335 -11.875 1.00 16.96 ? 180 SER C C 1 ATOM 4081 O O . SER C 3 94 ? -7.178 46.163 -12.785 1.00 17.12 ? 180 SER C O 1 ATOM 4082 C CB . SER C 3 94 ? -7.960 43.338 -13.182 1.00 13.42 ? 180 SER C CB 1 ATOM 4083 O OG . SER C 3 94 ? -8.853 42.237 -13.275 1.00 14.93 ? 180 SER C OG 1 ATOM 4084 N N . LYS C 3 95 ? -6.406 45.336 -10.821 1.00 15.80 ? 181 LYS C N 1 ATOM 4085 C CA . LYS C 3 95 ? -5.345 46.332 -10.573 1.00 15.36 ? 181 LYS C CA 1 ATOM 4086 C C . LYS C 3 95 ? -4.107 45.875 -11.332 1.00 21.55 ? 181 LYS C C 1 ATOM 4087 O O . LYS C 3 95 ? -3.069 45.542 -10.735 1.00 22.14 ? 181 LYS C O 1 ATOM 4088 C CB . LYS C 3 95 ? -5.066 46.495 -9.062 1.00 16.70 ? 181 LYS C CB 1 ATOM 4089 C CG . LYS C 3 95 ? -6.258 46.953 -8.221 1.00 20.02 ? 181 LYS C CG 1 ATOM 4090 C CD . LYS C 3 95 ? -5.866 47.132 -6.748 1.00 21.75 ? 181 LYS C CD 1 ATOM 4091 C CE . LYS C 3 95 ? -7.057 47.312 -5.828 1.00 14.38 ? 181 LYS C CE 1 ATOM 4092 N NZ . LYS C 3 95 ? -6.658 47.000 -4.440 1.00 23.99 ? 181 LYS C NZ 1 ATOM 4093 N N . THR C 3 96 ? -4.232 45.823 -12.669 1.00 18.55 ? 182 THR C N 1 ATOM 4094 C CA . THR C 3 96 ? -3.160 45.353 -13.562 1.00 18.75 ? 182 THR C CA 1 ATOM 4095 C C . THR C 3 96 ? -3.342 45.832 -14.994 1.00 22.65 ? 182 THR C C 1 ATOM 4096 O O . THR C 3 96 ? -4.470 46.013 -15.459 1.00 20.64 ? 182 THR C O 1 ATOM 4097 C CB . THR C 3 96 ? -2.982 43.795 -13.485 1.00 32.97 ? 182 THR C CB 1 ATOM 4098 O OG1 . THR C 3 96 ? -1.861 43.393 -14.276 1.00 38.18 ? 182 THR C OG1 1 ATOM 4099 C CG2 . THR C 3 96 ? -4.220 43.019 -13.908 1.00 28.09 ? 182 THR C CG2 1 ATOM 4100 N N . GLY C 3 97 ? -2.220 45.980 -15.690 1.00 20.01 ? 183 GLY C N 1 ATOM 4101 C CA . GLY C 3 97 ? -2.180 46.364 -17.097 1.00 20.04 ? 183 GLY C CA 1 ATOM 4102 C C . GLY C 3 97 ? -2.914 47.650 -17.398 1.00 22.37 ? 183 GLY C C 1 ATOM 4103 O O . GLY C 3 97 ? -2.884 48.583 -16.594 1.00 22.55 ? 183 GLY C O 1 ATOM 4104 N N . ILE C 3 98 ? -3.595 47.692 -18.553 1.00 18.66 ? 184 ILE C N 1 ATOM 4105 C CA . ILE C 3 98 ? -4.349 48.857 -19.030 1.00 18.50 ? 184 ILE C CA 1 ATOM 4106 C C . ILE C 3 98 ? -5.521 49.204 -18.084 1.00 21.73 ? 184 ILE C C 1 ATOM 4107 O O . ILE C 3 98 ? -5.920 50.366 -18.030 1.00 20.47 ? 184 ILE C O 1 ATOM 4108 C CB . ILE C 3 98 ? -4.785 48.747 -20.530 1.00 20.72 ? 184 ILE C CB 1 ATOM 4109 C CG1 . ILE C 3 98 ? -5.975 47.763 -20.728 1.00 20.65 ? 184 ILE C CG1 1 ATOM 4110 C CG2 . ILE C 3 98 ? -3.568 48.406 -21.452 1.00 20.92 ? 184 ILE C CG2 1 ATOM 4111 C CD1 . ILE C 3 98 ? -6.576 47.668 -22.116 1.00 20.20 ? 184 ILE C CD1 1 ATOM 4112 N N . ASN C 3 99 ? -6.020 48.213 -17.289 1.00 17.61 ? 185 ASN C N 1 ATOM 4113 C CA . ASN C 3 99 ? -7.121 48.422 -16.350 1.00 16.22 ? 185 ASN C CA 1 ATOM 4114 C C . ASN C 3 99 ? -6.700 49.051 -15.017 1.00 16.57 ? 185 ASN C C 1 ATOM 4115 O O . ASN C 3 99 ? -7.560 49.407 -14.226 1.00 14.93 ? 185 ASN C O 1 ATOM 4116 C CB . ASN C 3 99 ? -7.912 47.106 -16.114 1.00 16.38 ? 185 ASN C CB 1 ATOM 4117 C CG . ASN C 3 99 ? -9.319 47.344 -15.596 1.00 23.65 ? 185 ASN C CG 1 ATOM 4118 O OD1 . ASN C 3 99 ? -10.126 47.979 -16.269 1.00 17.51 ? 185 ASN C OD1 1 ATOM 4119 N ND2 . ASN C 3 99 ? -9.619 46.960 -14.339 1.00 13.90 ? 185 ASN C ND2 1 ATOM 4120 N N . GLU C 3 100 ? -5.399 49.191 -14.745 1.00 15.69 ? 186 GLU C N 1 ATOM 4121 C CA . GLU C 3 100 ? -4.959 49.697 -13.431 1.00 16.01 ? 186 GLU C CA 1 ATOM 4122 C C . GLU C 3 100 ? -5.551 51.022 -13.001 1.00 18.75 ? 186 GLU C C 1 ATOM 4123 O O . GLU C 3 100 ? -5.957 51.163 -11.847 1.00 15.96 ? 186 GLU C O 1 ATOM 4124 C CB . GLU C 3 100 ? -3.442 49.785 -13.336 1.00 17.86 ? 186 GLU C CB 1 ATOM 4125 C CG . GLU C 3 100 ? -2.978 49.573 -11.905 1.00 33.37 ? 186 GLU C CG 1 ATOM 4126 C CD . GLU C 3 100 ? -1.481 49.416 -11.704 1.00 67.13 ? 186 GLU C CD 1 ATOM 4127 O OE1 . GLU C 3 100 ? -0.997 49.795 -10.612 1.00 60.76 ? 186 GLU C OE1 1 ATOM 4128 O OE2 . GLU C 3 100 ? -0.793 48.912 -12.623 1.00 65.13 ? 186 GLU C OE2 1 ATOM 4129 N N . ASN C 3 101 ? -5.566 52.008 -13.918 1.00 16.74 ? 187 ASN C N 1 ATOM 4130 C CA . ASN C 3 101 ? -6.068 53.341 -13.627 1.00 16.20 ? 187 ASN C CA 1 ATOM 4131 C C . ASN C 3 101 ? -7.529 53.287 -13.237 1.00 17.70 ? 187 ASN C C 1 ATOM 4132 O O . ASN C 3 101 ? -7.922 53.852 -12.218 1.00 15.47 ? 187 ASN C O 1 ATOM 4133 C CB . ASN C 3 101 ? -5.853 54.258 -14.851 1.00 18.93 ? 187 ASN C CB 1 ATOM 4134 C CG . ASN C 3 101 ? -6.250 55.677 -14.542 1.00 30.57 ? 187 ASN C CG 1 ATOM 4135 O OD1 . ASN C 3 101 ? -5.837 56.240 -13.537 1.00 30.62 ? 187 ASN C OD1 1 ATOM 4136 N ND2 . ASN C 3 101 ? -7.140 56.237 -15.339 1.00 25.63 ? 187 ASN C ND2 1 ATOM 4137 N N . TYR C 3 102 ? -8.336 52.573 -14.037 1.00 16.32 ? 188 TYR C N 1 ATOM 4138 C CA . TYR C 3 102 ? -9.757 52.415 -13.738 1.00 15.76 ? 188 TYR C CA 1 ATOM 4139 C C . TYR C 3 102 ? -9.953 51.625 -12.443 1.00 17.97 ? 188 TYR C C 1 ATOM 4140 O O . TYR C 3 102 ? -10.791 52.011 -11.642 1.00 17.28 ? 188 TYR C O 1 ATOM 4141 C CB . TYR C 3 102 ? -10.509 51.789 -14.919 1.00 16.48 ? 188 TYR C CB 1 ATOM 4142 C CG . TYR C 3 102 ? -11.981 51.588 -14.639 1.00 18.16 ? 188 TYR C CG 1 ATOM 4143 C CD1 . TYR C 3 102 ? -12.856 52.673 -14.582 1.00 19.86 ? 188 TYR C CD1 1 ATOM 4144 C CD2 . TYR C 3 102 ? -12.496 50.319 -14.399 1.00 18.15 ? 188 TYR C CD2 1 ATOM 4145 C CE1 . TYR C 3 102 ? -14.216 52.494 -14.325 1.00 20.28 ? 188 TYR C CE1 1 ATOM 4146 C CE2 . TYR C 3 102 ? -13.856 50.126 -14.137 1.00 19.55 ? 188 TYR C CE2 1 ATOM 4147 C CZ . TYR C 3 102 ? -14.717 51.215 -14.133 1.00 26.70 ? 188 TYR C CZ 1 ATOM 4148 O OH . TYR C 3 102 ? -16.056 51.039 -13.877 1.00 24.89 ? 188 TYR C OH 1 ATOM 4149 N N . ALA C 3 103 ? -9.161 50.561 -12.205 1.00 15.38 ? 189 ALA C N 1 ATOM 4150 C CA . ALA C 3 103 ? -9.291 49.793 -10.950 1.00 14.39 ? 189 ALA C CA 1 ATOM 4151 C C . ALA C 3 103 ? -9.055 50.633 -9.688 1.00 18.43 ? 189 ALA C C 1 ATOM 4152 O O . ALA C 3 103 ? -9.715 50.424 -8.666 1.00 17.07 ? 189 ALA C O 1 ATOM 4153 C CB . ALA C 3 103 ? -8.372 48.581 -10.968 1.00 15.17 ? 189 ALA C CB 1 ATOM 4154 N N . LYS C 3 104 ? -8.168 51.622 -9.770 1.00 17.43 ? 190 LYS C N 1 ATOM 4155 C CA . LYS C 3 104 ? -7.889 52.541 -8.658 1.00 18.36 ? 190 LYS C CA 1 ATOM 4156 C C . LYS C 3 104 ? -9.060 53.516 -8.431 1.00 20.76 ? 190 LYS C C 1 ATOM 4157 O O . LYS C 3 104 ? -9.360 53.875 -7.289 1.00 20.69 ? 190 LYS C O 1 ATOM 4158 C CB . LYS C 3 104 ? -6.613 53.333 -8.961 1.00 21.71 ? 190 LYS C CB 1 ATOM 4159 C CG . LYS C 3 104 ? -5.333 52.512 -8.779 1.00 35.33 ? 190 LYS C CG 1 ATOM 4160 C CD . LYS C 3 104 ? -4.046 53.286 -9.163 1.00 44.02 ? 190 LYS C CD 1 ATOM 4161 C CE . LYS C 3 104 ? -3.717 54.456 -8.258 1.00 59.38 ? 190 LYS C CE 1 ATOM 4162 N NZ . LYS C 3 104 ? -3.429 54.031 -6.856 1.00 71.61 ? 190 LYS C NZ 1 ATOM 4163 N N . LYS C 3 105 ? -9.702 53.946 -9.522 1.00 17.07 ? 191 LYS C N 1 ATOM 4164 C CA . LYS C 3 105 ? -10.850 54.846 -9.527 1.00 17.07 ? 191 LYS C CA 1 ATOM 4165 C C . LYS C 3 105 ? -12.031 54.108 -8.895 1.00 20.34 ? 191 LYS C C 1 ATOM 4166 O O . LYS C 3 105 ? -12.700 54.656 -8.016 1.00 19.52 ? 191 LYS C O 1 ATOM 4167 C CB . LYS C 3 105 ? -11.143 55.283 -10.964 1.00 19.47 ? 191 LYS C CB 1 ATOM 4168 C CG . LYS C 3 105 ? -12.264 56.296 -11.113 1.00 33.24 ? 191 LYS C CG 1 ATOM 4169 C CD . LYS C 3 105 ? -12.509 56.580 -12.579 1.00 37.15 ? 191 LYS C CD 1 ATOM 4170 C CE . LYS C 3 105 ? -13.644 57.554 -12.737 1.00 52.03 ? 191 LYS C CE 1 ATOM 4171 N NZ . LYS C 3 105 ? -13.759 58.065 -14.129 1.00 64.15 ? 191 LYS C NZ 1 ATOM 4172 N N . PHE C 3 106 ? -12.224 52.838 -9.281 1.00 15.97 ? 192 PHE C N 1 ATOM 4173 C CA . PHE C 3 106 ? -13.290 51.991 -8.735 1.00 15.06 ? 192 PHE C CA 1 ATOM 4174 C C . PHE C 3 106 ? -13.119 51.781 -7.218 1.00 17.20 ? 192 PHE C C 1 ATOM 4175 O O . PHE C 3 106 ? -14.075 51.989 -6.461 1.00 15.21 ? 192 PHE C O 1 ATOM 4176 C CB . PHE C 3 106 ? -13.367 50.667 -9.504 1.00 15.86 ? 192 PHE C CB 1 ATOM 4177 C CG . PHE C 3 106 ? -14.652 49.931 -9.251 1.00 18.06 ? 192 PHE C CG 1 ATOM 4178 C CD1 . PHE C 3 106 ? -14.764 49.040 -8.190 1.00 21.94 ? 192 PHE C CD1 1 ATOM 4179 C CD2 . PHE C 3 106 ? -15.765 50.136 -10.068 1.00 21.77 ? 192 PHE C CD2 1 ATOM 4180 C CE1 . PHE C 3 106 ? -15.957 48.342 -7.967 1.00 22.70 ? 192 PHE C CE1 1 ATOM 4181 C CE2 . PHE C 3 106 ? -16.957 49.441 -9.836 1.00 24.94 ? 192 PHE C CE2 1 ATOM 4182 C CZ . PHE C 3 106 ? -17.045 48.562 -8.775 1.00 22.35 ? 192 PHE C CZ 1 ATOM 4183 N N . LYS C 3 107 ? -11.899 51.387 -6.779 1.00 16.03 ? 193 LYS C N 1 ATOM 4184 C CA . LYS C 3 107 ? -11.506 51.211 -5.385 1.00 16.62 ? 193 LYS C CA 1 ATOM 4185 C C . LYS C 3 107 ? -11.858 52.493 -4.574 1.00 22.84 ? 193 LYS C C 1 ATOM 4186 O O . LYS C 3 107 ? -12.505 52.387 -3.543 1.00 22.43 ? 193 LYS C O 1 ATOM 4187 C CB . LYS C 3 107 ? -9.997 50.888 -5.299 1.00 19.76 ? 193 LYS C CB 1 ATOM 4188 C CG . LYS C 3 107 ? -9.470 50.825 -3.875 1.00 27.10 ? 193 LYS C CG 1 ATOM 4189 C CD . LYS C 3 107 ? -7.961 50.787 -3.803 1.00 26.73 ? 193 LYS C CD 1 ATOM 4190 C CE . LYS C 3 107 ? -7.472 51.020 -2.389 1.00 30.65 ? 193 LYS C CE 1 ATOM 4191 N NZ . LYS C 3 107 ? -7.882 49.959 -1.411 1.00 28.10 ? 193 LYS C NZ 1 ATOM 4192 N N . THR C 3 108 ? -11.486 53.693 -5.076 1.00 22.07 ? 194 THR C N 1 ATOM 4193 C CA . THR C 3 108 ? -11.812 54.978 -4.434 1.00 21.40 ? 194 THR C CA 1 ATOM 4194 C C . THR C 3 108 ? -13.341 55.135 -4.267 1.00 23.65 ? 194 THR C C 1 ATOM 4195 O O . THR C 3 108 ? -13.804 55.432 -3.172 1.00 24.22 ? 194 THR C O 1 ATOM 4196 C CB . THR C 3 108 ? -11.140 56.145 -5.202 1.00 27.44 ? 194 THR C CB 1 ATOM 4197 O OG1 . THR C 3 108 ? -9.728 56.004 -5.082 1.00 27.87 ? 194 THR C OG1 1 ATOM 4198 C CG2 . THR C 3 108 ? -11.557 57.524 -4.692 1.00 24.07 ? 194 THR C CG2 1 ATOM 4199 N N . GLY C 3 109 ? -14.087 54.889 -5.330 1.00 20.26 ? 195 GLY C N 1 ATOM 4200 C CA . GLY C 3 109 ? -15.547 54.963 -5.347 1.00 20.49 ? 195 GLY C CA 1 ATOM 4201 C C . GLY C 3 109 ? -16.200 54.039 -4.335 1.00 24.67 ? 195 GLY C C 1 ATOM 4202 O O . GLY C 3 109 ? -17.148 54.434 -3.648 1.00 24.54 ? 195 GLY C O 1 ATOM 4203 N N . MET C 3 110 ? -15.669 52.811 -4.210 1.00 20.93 ? 196 MET C N 1 ATOM 4204 C CA . MET C 3 110 ? -16.131 51.819 -3.251 1.00 18.92 ? 196 MET C CA 1 ATOM 4205 C C . MET C 3 110 ? -15.829 52.243 -1.811 1.00 24.67 ? 196 MET C C 1 ATOM 4206 O O . MET C 3 110 ? -16.643 51.963 -0.920 1.00 24.74 ? 196 MET C O 1 ATOM 4207 C CB . MET C 3 110 ? -15.519 50.445 -3.533 1.00 20.08 ? 196 MET C CB 1 ATOM 4208 C CG . MET C 3 110 ? -16.107 49.749 -4.759 1.00 21.74 ? 196 MET C CG 1 ATOM 4209 S SD . MET C 3 110 ? -17.877 49.359 -4.641 1.00 23.90 ? 196 MET C SD 1 ATOM 4210 C CE . MET C 3 110 ? -17.871 47.976 -3.550 1.00 19.84 ? 196 MET C CE 1 ATOM 4211 N N . HIS C 3 111 ? -14.654 52.886 -1.576 1.00 22.06 ? 197 HIS C N 1 ATOM 4212 C CA . HIS C 3 111 ? -14.261 53.387 -0.247 1.00 22.74 ? 197 HIS C CA 1 ATOM 4213 C C . HIS C 3 111 ? -15.159 54.551 0.187 1.00 30.35 ? 197 HIS C C 1 ATOM 4214 O O . HIS C 3 111 ? -15.386 54.745 1.382 1.00 29.43 ? 197 HIS C O 1 ATOM 4215 C CB . HIS C 3 111 ? -12.771 53.795 -0.212 1.00 22.89 ? 197 HIS C CB 1 ATOM 4216 C CG . HIS C 3 111 ? -11.828 52.641 -0.056 1.00 25.97 ? 197 HIS C CG 1 ATOM 4217 N ND1 . HIS C 3 111 ? -11.869 51.816 1.059 1.00 28.14 ? 197 HIS C ND1 1 ATOM 4218 C CD2 . HIS C 3 111 ? -10.819 52.233 -0.859 1.00 26.91 ? 197 HIS C CD2 1 ATOM 4219 C CE1 . HIS C 3 111 ? -10.914 50.917 0.875 1.00 26.99 ? 197 HIS C CE1 1 ATOM 4220 N NE2 . HIS C 3 111 ? -10.235 51.149 -0.247 1.00 26.66 ? 197 HIS C NE2 1 ATOM 4221 N N . HIS C 3 112 ? -15.675 55.315 -0.783 1.00 32.14 ? 198 HIS C N 1 ATOM 4222 C CA . HIS C 3 112 ? -16.577 56.424 -0.515 1.00 34.08 ? 198 HIS C CA 1 ATOM 4223 C C . HIS C 3 112 ? -17.987 55.893 -0.346 1.00 38.70 ? 198 HIS C C 1 ATOM 4224 O O . HIS C 3 112 ? -18.719 56.382 0.523 1.00 39.71 ? 198 HIS C O 1 ATOM 4225 C CB . HIS C 3 112 ? -16.514 57.473 -1.629 1.00 36.35 ? 198 HIS C CB 1 ATOM 4226 C CG . HIS C 3 112 ? -15.327 58.373 -1.539 1.00 41.22 ? 198 HIS C CG 1 ATOM 4227 N ND1 . HIS C 3 112 ? -14.040 57.900 -1.742 1.00 43.67 ? 198 HIS C ND1 1 ATOM 4228 C CD2 . HIS C 3 112 ? -15.271 59.706 -1.308 1.00 44.35 ? 198 HIS C CD2 1 ATOM 4229 C CE1 . HIS C 3 112 ? -13.246 58.953 -1.622 1.00 43.58 ? 198 HIS C CE1 1 ATOM 4230 N NE2 . HIS C 3 112 ? -13.940 60.064 -1.368 1.00 44.09 ? 198 HIS C NE2 1 ATOM 4231 N N . LEU C 3 113 ? -18.367 54.872 -1.157 1.00 32.73 ? 199 LEU C N 1 ATOM 4232 C CA . LEU C 3 113 ? -19.688 54.253 -1.098 1.00 31.37 ? 199 LEU C CA 1 ATOM 4233 C C . LEU C 3 113 ? -19.892 53.456 0.189 1.00 35.06 ? 199 LEU C C 1 ATOM 4234 O O . LEU C 3 113 ? -20.842 53.727 0.910 1.00 35.92 ? 199 LEU C O 1 ATOM 4235 C CB . LEU C 3 113 ? -19.951 53.377 -2.343 1.00 30.78 ? 199 LEU C CB 1 ATOM 4236 C CG . LEU C 3 113 ? -21.359 52.828 -2.526 1.00 33.52 ? 199 LEU C CG 1 ATOM 4237 C CD1 . LEU C 3 113 ? -22.389 53.963 -2.634 1.00 32.42 ? 199 LEU C CD1 1 ATOM 4238 C CD2 . LEU C 3 113 ? -21.427 51.925 -3.737 1.00 31.94 ? 199 LEU C CD2 1 ATOM 4239 N N . TYR C 3 114 ? -19.001 52.498 0.483 1.00 31.48 ? 200 TYR C N 1 ATOM 4240 C CA . TYR C 3 114 ? -19.080 51.638 1.667 1.00 30.85 ? 200 TYR C CA 1 ATOM 4241 C C . TYR C 3 114 ? -18.219 52.168 2.808 1.00 40.36 ? 200 TYR C C 1 ATOM 4242 O O . TYR C 3 114 ? -17.063 52.525 2.577 1.00 40.93 ? 200 TYR C O 1 ATOM 4243 C CB . TYR C 3 114 ? -18.698 50.189 1.316 1.00 29.48 ? 200 TYR C CB 1 ATOM 4244 C CG . TYR C 3 114 ? -19.803 49.448 0.598 1.00 27.55 ? 200 TYR C CG 1 ATOM 4245 C CD1 . TYR C 3 114 ? -19.915 49.496 -0.786 1.00 28.23 ? 200 TYR C CD1 1 ATOM 4246 C CD2 . TYR C 3 114 ? -20.752 48.716 1.306 1.00 27.27 ? 200 TYR C CD2 1 ATOM 4247 C CE1 . TYR C 3 114 ? -20.939 48.831 -1.450 1.00 27.62 ? 200 TYR C CE1 1 ATOM 4248 C CE2 . TYR C 3 114 ? -21.768 48.029 0.651 1.00 27.55 ? 200 TYR C CE2 1 ATOM 4249 C CZ . TYR C 3 114 ? -21.857 48.089 -0.726 1.00 30.60 ? 200 TYR C CZ 1 ATOM 4250 O OH . TYR C 3 114 ? -22.876 47.443 -1.368 1.00 30.41 ? 200 TYR C OH 1 ATOM 4251 N N . ARG C 3 115 ? -18.797 52.230 4.034 1.00 40.65 ? 201 ARG C N 1 ATOM 4252 C CA . ARG C 3 115 ? -18.156 52.716 5.272 1.00 41.54 ? 201 ARG C CA 1 ATOM 4253 C C . ARG C 3 115 ? -16.779 52.072 5.455 1.00 45.20 ? 201 ARG C C 1 ATOM 4254 O O . ARG C 3 115 ? -15.780 52.776 5.563 1.00 44.40 ? 201 ARG C O 1 ATOM 4255 C CB . ARG C 3 115 ? -19.043 52.417 6.504 1.00 44.64 ? 201 ARG C CB 1 ATOM 4256 C CG . ARG C 3 115 ? -20.295 53.275 6.650 1.00 62.86 ? 201 ARG C CG 1 ATOM 4257 C CD . ARG C 3 115 ? -21.116 52.794 7.836 1.00 82.00 ? 201 ARG C CD 1 ATOM 4258 N NE . ARG C 3 115 ? -22.518 53.210 7.757 1.00 95.55 ? 201 ARG C NE 1 ATOM 4259 C CZ . ARG C 3 115 ? -23.510 52.646 8.442 1.00 108.68 ? 201 ARG C CZ 1 ATOM 4260 N NH1 . ARG C 3 115 ? -23.267 51.629 9.261 1.00 95.82 ? 201 ARG C NH1 1 ATOM 4261 N NH2 . ARG C 3 115 ? -24.753 53.089 8.308 1.00 92.98 ? 201 ARG C NH2 1 ATOM 4262 N N . GLU C 3 116 ? -16.740 50.726 5.442 1.00 42.58 ? 202 GLU C N 1 ATOM 4263 C CA . GLU C 3 116 ? -15.528 49.926 5.565 1.00 42.63 ? 202 GLU C CA 1 ATOM 4264 C C . GLU C 3 116 ? -15.434 49.019 4.319 1.00 43.95 ? 202 GLU C C 1 ATOM 4265 O O . GLU C 3 116 ? -15.927 47.892 4.351 1.00 45.48 ? 202 GLU C O 1 ATOM 4266 C CB . GLU C 3 116 ? -15.560 49.110 6.887 1.00 44.44 ? 202 GLU C CB 1 ATOM 4267 C CG . GLU C 3 116 ? -14.263 48.372 7.226 1.00 59.89 ? 202 GLU C CG 1 ATOM 4268 C CD . GLU C 3 116 ? -14.046 47.021 6.559 1.00 81.55 ? 202 GLU C CD 1 ATOM 4269 O OE1 . GLU C 3 116 ? -14.976 46.179 6.592 1.00 72.09 ? 202 GLU C OE1 1 ATOM 4270 O OE2 . GLU C 3 116 ? -12.954 46.815 5.978 1.00 70.60 ? 202 GLU C OE2 1 ATOM 4271 N N . TYR C 3 117 ? -14.869 49.533 3.204 1.00 35.72 ? 203 TYR C N 1 ATOM 4272 C CA . TYR C 3 117 ? -14.718 48.724 1.996 1.00 31.77 ? 203 TYR C CA 1 ATOM 4273 C C . TYR C 3 117 ? -13.587 47.724 2.203 1.00 34.29 ? 203 TYR C C 1 ATOM 4274 O O . TYR C 3 117 ? -12.432 48.120 2.348 1.00 33.70 ? 203 TYR C O 1 ATOM 4275 C CB . TYR C 3 117 ? -14.512 49.581 0.730 1.00 29.99 ? 203 TYR C CB 1 ATOM 4276 C CG . TYR C 3 117 ? -14.188 48.796 -0.526 1.00 26.24 ? 203 TYR C CG 1 ATOM 4277 C CD1 . TYR C 3 117 ? -15.015 47.760 -0.962 1.00 27.79 ? 203 TYR C CD1 1 ATOM 4278 C CD2 . TYR C 3 117 ? -13.083 49.119 -1.307 1.00 25.00 ? 203 TYR C CD2 1 ATOM 4279 C CE1 . TYR C 3 117 ? -14.721 47.037 -2.120 1.00 27.93 ? 203 TYR C CE1 1 ATOM 4280 C CE2 . TYR C 3 117 ? -12.791 48.418 -2.475 1.00 24.57 ? 203 TYR C CE2 1 ATOM 4281 C CZ . TYR C 3 117 ? -13.625 47.390 -2.890 1.00 32.20 ? 203 TYR C CZ 1 ATOM 4282 O OH . TYR C 3 117 ? -13.353 46.709 -4.055 1.00 28.89 ? 203 TYR C OH 1 ATOM 4283 N N . PRO C 3 118 ? -13.912 46.422 2.302 1.00 31.04 ? 204 PRO C N 1 ATOM 4284 C CA . PRO C 3 118 ? -12.852 45.424 2.518 1.00 29.42 ? 204 PRO C CA 1 ATOM 4285 C C . PRO C 3 118 ? -12.298 44.976 1.170 1.00 31.33 ? 204 PRO C C 1 ATOM 4286 O O . PRO C 3 118 ? -12.710 43.935 0.641 1.00 33.13 ? 204 PRO C O 1 ATOM 4287 C CB . PRO C 3 118 ? -13.584 44.304 3.254 1.00 30.87 ? 204 PRO C CB 1 ATOM 4288 C CG . PRO C 3 118 ? -15.084 44.495 2.907 1.00 36.37 ? 204 PRO C CG 1 ATOM 4289 C CD . PRO C 3 118 ? -15.244 45.780 2.167 1.00 32.78 ? 204 PRO C CD 1 ATOM 4290 N N . ASP C 3 119 ? -11.386 45.778 0.607 1.00 23.53 ? 205 ASP C N 1 ATOM 4291 C CA . ASP C 3 119 ? -10.800 45.573 -0.717 1.00 23.64 ? 205 ASP C CA 1 ATOM 4292 C C . ASP C 3 119 ? -10.067 44.242 -0.885 1.00 28.64 ? 205 ASP C C 1 ATOM 4293 O O . ASP C 3 119 ? -8.994 44.052 -0.317 1.00 29.60 ? 205 ASP C O 1 ATOM 4294 C CB . ASP C 3 119 ? -9.885 46.748 -1.084 1.00 24.42 ? 205 ASP C CB 1 ATOM 4295 C CG . ASP C 3 119 ? -9.387 46.806 -2.519 1.00 26.11 ? 205 ASP C CG 1 ATOM 4296 O OD1 . ASP C 3 119 ? -9.735 45.909 -3.313 1.00 24.81 ? 205 ASP C OD1 1 ATOM 4297 O OD2 . ASP C 3 119 ? -8.640 47.749 -2.842 1.00 28.17 ? 205 ASP C OD2 1 ATOM 4298 N N . SER C 3 120 ? -10.638 43.343 -1.710 1.00 23.17 ? 206 SER C N 1 ATOM 4299 C CA . SER C 3 120 ? -10.063 42.020 -1.962 1.00 22.13 ? 206 SER C CA 1 ATOM 4300 C C . SER C 3 120 ? -9.338 41.892 -3.311 1.00 24.98 ? 206 SER C C 1 ATOM 4301 O O . SER C 3 120 ? -8.822 40.818 -3.632 1.00 25.17 ? 206 SER C O 1 ATOM 4302 C CB . SER C 3 120 ? -11.132 40.939 -1.807 1.00 24.78 ? 206 SER C CB 1 ATOM 4303 O OG . SER C 3 120 ? -12.197 41.127 -2.722 1.00 32.87 ? 206 SER C OG 1 ATOM 4304 N N . CYS C 3 121 ? -9.285 42.973 -4.097 1.00 19.31 ? 207 CYS C N 1 ATOM 4305 C CA . CYS C 3 121 ? -8.614 42.918 -5.384 1.00 19.52 ? 207 CYS C CA 1 ATOM 4306 C C . CYS C 3 121 ? -7.125 43.149 -5.159 1.00 25.94 ? 207 CYS C C 1 ATOM 4307 O O . CYS C 3 121 ? -6.714 44.246 -4.785 1.00 24.75 ? 207 CYS C O 1 ATOM 4308 C CB . CYS C 3 121 ? -9.229 43.911 -6.373 1.00 19.55 ? 207 CYS C CB 1 ATOM 4309 S SG . CYS C 3 121 ? -10.951 43.528 -6.831 1.00 23.89 ? 207 CYS C SG 1 ATOM 4310 N N . LEU C 3 122 ? -6.325 42.084 -5.284 1.00 24.56 ? 208 LEU C N 1 ATOM 4311 C CA . LEU C 3 122 ? -4.883 42.183 -5.067 1.00 25.47 ? 208 LEU C CA 1 ATOM 4312 C C . LEU C 3 122 ? -4.177 42.812 -6.252 1.00 29.10 ? 208 LEU C C 1 ATOM 4313 O O . LEU C 3 122 ? -4.563 42.601 -7.405 1.00 26.83 ? 208 LEU C O 1 ATOM 4314 C CB . LEU C 3 122 ? -4.251 40.813 -4.744 1.00 26.10 ? 208 LEU C CB 1 ATOM 4315 C CG . LEU C 3 122 ? -4.818 39.996 -3.557 1.00 31.75 ? 208 LEU C CG 1 ATOM 4316 C CD1 . LEU C 3 122 ? -4.144 38.615 -3.475 1.00 31.77 ? 208 LEU C CD1 1 ATOM 4317 C CD2 . LEU C 3 122 ? -4.673 40.744 -2.210 1.00 33.46 ? 208 LEU C CD2 1 ATOM 4318 N N . ASP C 3 123 ? -3.112 43.561 -5.969 1.00 27.19 ? 209 ASP C N 1 ATOM 4319 C CA . ASP C 3 123 ? -2.296 44.206 -6.983 1.00 27.14 ? 209 ASP C CA 1 ATOM 4320 C C . ASP C 3 123 ? -1.735 43.156 -7.967 1.00 28.14 ? 209 ASP C C 1 ATOM 4321 O O . ASP C 3 123 ? -1.224 42.119 -7.544 1.00 28.66 ? 209 ASP C O 1 ATOM 4322 C CB . ASP C 3 123 ? -1.183 45.043 -6.314 1.00 30.31 ? 209 ASP C CB 1 ATOM 4323 C CG . ASP C 3 123 ? -0.317 45.839 -7.278 1.00 50.51 ? 209 ASP C CG 1 ATOM 4324 O OD1 . ASP C 3 123 ? -0.865 46.367 -8.283 1.00 52.17 ? 209 ASP C OD1 1 ATOM 4325 O OD2 . ASP C 3 123 ? 0.903 45.968 -7.013 1.00 61.17 ? 209 ASP C OD2 1 ATOM 4326 N N . GLY C 3 124 ? -1.927 43.413 -9.251 1.00 21.73 ? 210 GLY C N 1 ATOM 4327 C CA . GLY C 3 124 ? -1.513 42.561 -10.364 1.00 22.06 ? 210 GLY C CA 1 ATOM 4328 C C . GLY C 3 124 ? -2.382 41.335 -10.635 1.00 24.53 ? 210 GLY C C 1 ATOM 4329 O O . GLY C 3 124 ? -2.056 40.545 -11.522 1.00 25.14 ? 210 GLY C O 1 ATOM 4330 N N . LYS C 3 125 ? -3.484 41.151 -9.867 1.00 17.65 ? 211 LYS C N 1 ATOM 4331 C CA . LYS C 3 125 ? -4.343 39.955 -9.965 1.00 16.03 ? 211 LYS C CA 1 ATOM 4332 C C . LYS C 3 125 ? -5.653 40.200 -10.709 1.00 16.89 ? 211 LYS C C 1 ATOM 4333 O O . LYS C 3 125 ? -6.289 41.242 -10.507 1.00 15.34 ? 211 LYS C O 1 ATOM 4334 C CB . LYS C 3 125 ? -4.625 39.404 -8.543 1.00 17.84 ? 211 LYS C CB 1 ATOM 4335 C CG . LYS C 3 125 ? -5.045 37.931 -8.500 1.00 24.31 ? 211 LYS C CG 1 ATOM 4336 C CD . LYS C 3 125 ? -5.215 37.393 -7.063 1.00 25.58 ? 211 LYS C CD 1 ATOM 4337 C CE . LYS C 3 125 ? -5.806 35.993 -7.074 1.00 32.29 ? 211 LYS C CE 1 ATOM 4338 N NZ . LYS C 3 125 ? -5.848 35.365 -5.725 1.00 31.49 ? 211 LYS C NZ 1 ATOM 4339 N N . LEU C 3 126 ? -6.089 39.222 -11.520 1.00 12.66 ? 212 LEU C N 1 ATOM 4340 C CA . LEU C 3 126 ? -7.399 39.299 -12.181 1.00 12.37 ? 212 LEU C CA 1 ATOM 4341 C C . LEU C 3 126 ? -8.489 39.320 -11.061 1.00 16.19 ? 212 LEU C C 1 ATOM 4342 O O . LEU C 3 126 ? -8.470 38.474 -10.162 1.00 14.28 ? 212 LEU C O 1 ATOM 4343 C CB . LEU C 3 126 ? -7.601 38.115 -13.133 1.00 11.87 ? 212 LEU C CB 1 ATOM 4344 C CG . LEU C 3 126 ? -8.956 38.089 -13.858 1.00 14.78 ? 212 LEU C CG 1 ATOM 4345 C CD1 . LEU C 3 126 ? -8.980 39.100 -15.005 1.00 13.98 ? 212 LEU C CD1 1 ATOM 4346 C CD2 . LEU C 3 126 ? -9.250 36.713 -14.417 1.00 14.32 ? 212 LEU C CD2 1 ATOM 4347 N N . CYS C 3 127 ? -9.369 40.337 -11.075 1.00 14.05 ? 213 CYS C N 1 ATOM 4348 C CA . CYS C 3 127 ? -10.400 40.552 -10.048 1.00 15.78 ? 213 CYS C CA 1 ATOM 4349 C C . CYS C 3 127 ? -11.596 41.197 -10.737 1.00 18.41 ? 213 CYS C C 1 ATOM 4350 O O . CYS C 3 127 ? -11.470 42.285 -11.306 1.00 17.24 ? 213 CYS C O 1 ATOM 4351 C CB . CYS C 3 127 ? -9.871 41.424 -8.900 1.00 18.55 ? 213 CYS C CB 1 ATOM 4352 S SG . CYS C 3 127 ? -10.962 41.505 -7.436 1.00 24.36 ? 213 CYS C SG 1 ATOM 4353 N N . LEU C 3 128 ? -12.736 40.489 -10.750 1.00 14.93 ? 214 LEU C N 1 ATOM 4354 C CA . LEU C 3 128 ? -13.952 40.965 -11.416 1.00 14.00 ? 214 LEU C CA 1 ATOM 4355 C C . LEU C 3 128 ? -15.103 41.057 -10.462 1.00 15.24 ? 214 LEU C C 1 ATOM 4356 O O . LEU C 3 128 ? -15.357 40.114 -9.706 1.00 13.21 ? 214 LEU C O 1 ATOM 4357 C CB . LEU C 3 128 ? -14.296 40.041 -12.586 1.00 14.22 ? 214 LEU C CB 1 ATOM 4358 C CG . LEU C 3 128 ? -13.116 39.826 -13.515 1.00 19.15 ? 214 LEU C CG 1 ATOM 4359 C CD1 . LEU C 3 128 ? -13.010 38.441 -13.950 1.00 19.32 ? 214 LEU C CD1 1 ATOM 4360 C CD2 . LEU C 3 128 ? -13.094 40.824 -14.613 1.00 20.28 ? 214 LEU C CD2 1 ATOM 4361 N N . MET C 3 129 ? -15.771 42.221 -10.471 1.00 12.39 ? 215 MET C N 1 ATOM 4362 C CA . MET C 3 129 ? -16.914 42.487 -9.627 1.00 12.29 ? 215 MET C CA 1 ATOM 4363 C C . MET C 3 129 ? -18.147 41.961 -10.334 1.00 15.65 ? 215 MET C C 1 ATOM 4364 O O . MET C 3 129 ? -18.374 42.328 -11.480 1.00 15.58 ? 215 MET C O 1 ATOM 4365 C CB . MET C 3 129 ? -17.047 43.992 -9.346 1.00 15.30 ? 215 MET C CB 1 ATOM 4366 C CG . MET C 3 129 ? -18.120 44.327 -8.320 1.00 21.48 ? 215 MET C CG 1 ATOM 4367 S SD . MET C 3 129 ? -19.825 44.174 -8.901 1.00 29.75 ? 215 MET C SD 1 ATOM 4368 C CE . MET C 3 129 ? -19.899 45.546 -9.997 1.00 26.99 ? 215 MET C CE 1 ATOM 4369 N N . LYS C 3 130 ? -18.915 41.065 -9.679 1.00 11.74 ? 216 LYS C N 1 ATOM 4370 C CA . LYS C 3 130 ? -20.187 40.575 -10.236 1.00 11.00 ? 216 LYS C CA 1 ATOM 4371 C C . LYS C 3 130 ? -21.313 40.931 -9.272 1.00 15.18 ? 216 LYS C C 1 ATOM 4372 O O . LYS C 3 130 ? -21.261 40.582 -8.082 1.00 13.37 ? 216 LYS C O 1 ATOM 4373 C CB . LYS C 3 130 ? -20.218 39.058 -10.493 1.00 11.61 ? 216 LYS C CB 1 ATOM 4374 C CG . LYS C 3 130 ? -19.472 38.557 -11.743 1.00 11.40 ? 216 LYS C CG 1 ATOM 4375 C CD . LYS C 3 130 ? -17.948 38.502 -11.599 1.00 12.26 ? 216 LYS C CD 1 ATOM 4376 C CE . LYS C 3 130 ? -17.481 37.576 -10.497 1.00 11.13 ? 216 LYS C CE 1 ATOM 4377 N NZ . LYS C 3 130 ? -15.984 37.487 -10.432 1.00 9.96 ? 216 LYS C NZ 1 ATOM 4378 N N . ALA C 3 131 ? -22.343 41.605 -9.798 1.00 11.47 ? 217 ALA C N 1 ATOM 4379 C CA . ALA C 3 131 ? -23.515 41.961 -9.001 1.00 11.13 ? 217 ALA C CA 1 ATOM 4380 C C . ALA C 3 131 ? -24.648 41.030 -9.430 1.00 12.35 ? 217 ALA C C 1 ATOM 4381 O O . ALA C 3 131 ? -24.920 40.902 -10.635 1.00 10.34 ? 217 ALA C O 1 ATOM 4382 C CB . ALA C 3 131 ? -23.893 43.408 -9.251 1.00 11.45 ? 217 ALA C CB 1 ATOM 4383 N N . GLN C 3 132 ? -25.235 40.321 -8.456 1.00 9.29 ? 218 GLN C N 1 ATOM 4384 C CA . GLN C 3 132 ? -26.305 39.337 -8.702 1.00 10.65 ? 218 GLN C CA 1 ATOM 4385 C C . GLN C 3 132 ? -27.453 39.512 -7.724 1.00 15.79 ? 218 GLN C C 1 ATOM 4386 O O . GLN C 3 132 ? -27.211 39.921 -6.580 1.00 14.63 ? 218 GLN C O 1 ATOM 4387 C CB . GLN C 3 132 ? -25.758 37.913 -8.585 1.00 11.66 ? 218 GLN C CB 1 ATOM 4388 C CG . GLN C 3 132 ? -24.770 37.551 -9.695 1.00 14.30 ? 218 GLN C CG 1 ATOM 4389 C CD . GLN C 3 132 ? -24.243 36.165 -9.458 1.00 16.72 ? 218 GLN C CD 1 ATOM 4390 O OE1 . GLN C 3 132 ? -23.414 35.948 -8.566 1.00 14.64 ? 218 GLN C OE1 1 ATOM 4391 N NE2 . GLN C 3 132 ? -24.737 35.208 -10.239 1.00 12.98 ? 218 GLN C NE2 1 ATOM 4392 N N . PRO C 3 133 ? -28.702 39.164 -8.112 1.00 12.89 ? 219 PRO C N 1 ATOM 4393 C CA . PRO C 3 133 ? -29.809 39.302 -7.152 1.00 13.05 ? 219 PRO C CA 1 ATOM 4394 C C . PRO C 3 133 ? -29.642 38.348 -5.978 1.00 18.63 ? 219 PRO C C 1 ATOM 4395 O O . PRO C 3 133 ? -29.174 37.196 -6.142 1.00 16.54 ? 219 PRO C O 1 ATOM 4396 C CB . PRO C 3 133 ? -31.063 38.902 -7.968 1.00 14.61 ? 219 PRO C CB 1 ATOM 4397 C CG . PRO C 3 133 ? -30.642 38.986 -9.402 1.00 18.05 ? 219 PRO C CG 1 ATOM 4398 C CD . PRO C 3 133 ? -29.181 38.629 -9.404 1.00 13.92 ? 219 PRO C CD 1 ATOM 4399 N N . THR C 3 134 ? -30.042 38.820 -4.800 1.00 15.61 ? 220 THR C N 1 ATOM 4400 C CA . THR C 3 134 ? -30.080 37.997 -3.586 1.00 16.14 ? 220 THR C CA 1 ATOM 4401 C C . THR C 3 134 ? -31.162 38.524 -2.657 1.00 21.53 ? 220 THR C C 1 ATOM 4402 O O . THR C 3 134 ? -31.504 39.711 -2.746 1.00 20.50 ? 220 THR C O 1 ATOM 4403 C CB . THR C 3 134 ? -28.696 37.900 -2.904 1.00 24.51 ? 220 THR C CB 1 ATOM 4404 O OG1 . THR C 3 134 ? -28.719 36.772 -2.038 1.00 27.60 ? 220 THR C OG1 1 ATOM 4405 C CG2 . THR C 3 134 ? -28.309 39.158 -2.129 1.00 23.36 ? 220 THR C CG2 1 ATOM 4406 N N . SER C 3 135 ? -31.689 37.668 -1.747 1.00 17.29 ? 221 SER C N 1 ATOM 4407 C CA . SER C 3 135 ? -32.655 38.178 -0.770 1.00 17.56 ? 221 SER C CA 1 ATOM 4408 C C . SER C 3 135 ? -31.850 39.015 0.216 1.00 21.06 ? 221 SER C C 1 ATOM 4409 O O . SER C 3 135 ? -30.689 38.688 0.520 1.00 20.84 ? 221 SER C O 1 ATOM 4410 C CB . SER C 3 135 ? -33.401 37.050 -0.051 1.00 20.79 ? 221 SER C CB 1 ATOM 4411 O OG . SER C 3 135 ? -32.527 36.182 0.650 1.00 30.89 ? 221 SER C OG 1 ATOM 4412 N N . TRP C 3 136 ? -32.418 40.128 0.642 1.00 17.54 ? 222 TRP C N 1 ATOM 4413 C CA . TRP C 3 136 ? -31.740 41.020 1.578 1.00 18.07 ? 222 TRP C CA 1 ATOM 4414 C C . TRP C 3 136 ? -31.413 40.233 2.854 1.00 21.06 ? 222 TRP C C 1 ATOM 4415 O O . TRP C 3 136 ? -32.320 39.675 3.450 1.00 21.42 ? 222 TRP C O 1 ATOM 4416 C CB . TRP C 3 136 ? -32.612 42.241 1.877 1.00 17.05 ? 222 TRP C CB 1 ATOM 4417 C CG . TRP C 3 136 ? -31.932 43.319 2.665 1.00 18.69 ? 222 TRP C CG 1 ATOM 4418 C CD1 . TRP C 3 136 ? -32.325 43.810 3.875 1.00 21.43 ? 222 TRP C CD1 1 ATOM 4419 C CD2 . TRP C 3 136 ? -30.792 44.110 2.263 1.00 18.90 ? 222 TRP C CD2 1 ATOM 4420 N NE1 . TRP C 3 136 ? -31.482 44.822 4.273 1.00 20.80 ? 222 TRP C NE1 1 ATOM 4421 C CE2 . TRP C 3 136 ? -30.550 45.045 3.292 1.00 22.52 ? 222 TRP C CE2 1 ATOM 4422 C CE3 . TRP C 3 136 ? -29.926 44.087 1.153 1.00 20.32 ? 222 TRP C CE3 1 ATOM 4423 C CZ2 . TRP C 3 136 ? -29.505 45.973 3.231 1.00 22.26 ? 222 TRP C CZ2 1 ATOM 4424 C CZ3 . TRP C 3 136 ? -28.913 45.030 1.073 1.00 21.37 ? 222 TRP C CZ3 1 ATOM 4425 C CH2 . TRP C 3 136 ? -28.690 45.939 2.114 1.00 22.35 ? 222 TRP C CH2 1 ATOM 4426 N N . PRO C 3 137 ? -30.133 40.097 3.250 1.00 20.07 ? 223 PRO C N 1 ATOM 4427 C CA . PRO C 3 137 ? -29.817 39.278 4.431 1.00 21.11 ? 223 PRO C CA 1 ATOM 4428 C C . PRO C 3 137 ? -30.523 39.733 5.695 1.00 28.21 ? 223 PRO C C 1 ATOM 4429 O O . PRO C 3 137 ? -30.760 40.932 5.887 1.00 26.27 ? 223 PRO C O 1 ATOM 4430 C CB . PRO C 3 137 ? -28.297 39.394 4.549 1.00 22.42 ? 223 PRO C CB 1 ATOM 4431 C CG . PRO C 3 137 ? -27.852 39.725 3.208 1.00 26.29 ? 223 PRO C CG 1 ATOM 4432 C CD . PRO C 3 137 ? -28.902 40.641 2.648 1.00 21.36 ? 223 PRO C CD 1 ATOM 4433 N N . LEU C 3 138 ? -30.887 38.751 6.536 1.00 28.30 ? 224 LEU C N 1 ATOM 4434 C CA . LEU C 3 138 ? -31.602 38.956 7.797 1.00 29.98 ? 224 LEU C CA 1 ATOM 4435 C C . LEU C 3 138 ? -30.814 39.812 8.801 1.00 32.71 ? 224 LEU C C 1 ATOM 4436 O O . LEU C 3 138 ? -31.429 40.579 9.544 1.00 32.62 ? 224 LEU C O 1 ATOM 4437 C CB . LEU C 3 138 ? -31.999 37.589 8.421 1.00 31.26 ? 224 LEU C CB 1 ATOM 4438 C CG . LEU C 3 138 ? -32.655 36.581 7.464 1.00 37.34 ? 224 LEU C CG 1 ATOM 4439 C CD1 . LEU C 3 138 ? -32.352 35.139 7.880 1.00 38.84 ? 224 LEU C CD1 1 ATOM 4440 C CD2 . LEU C 3 138 ? -34.140 36.852 7.297 1.00 39.15 ? 224 LEU C CD2 1 ATOM 4441 N N . GLN C 3 139 ? -29.460 39.701 8.791 1.00 27.83 ? 225 GLN C N 1 ATOM 4442 C CA . GLN C 3 139 ? -28.557 40.443 9.689 1.00 27.32 ? 225 GLN C CA 1 ATOM 4443 C C . GLN C 3 139 ? -28.240 41.865 9.235 1.00 30.99 ? 225 GLN C C 1 ATOM 4444 O O . GLN C 3 139 ? -27.657 42.636 10.006 1.00 29.41 ? 225 GLN C O 1 ATOM 4445 C CB . GLN C 3 139 ? -27.261 39.662 9.961 1.00 28.18 ? 225 GLN C CB 1 ATOM 4446 C CG . GLN C 3 139 ? -27.456 38.409 10.826 1.00 48.19 ? 225 GLN C CG 1 ATOM 4447 C CD . GLN C 3 139 ? -28.292 38.658 12.068 1.00 77.16 ? 225 GLN C CD 1 ATOM 4448 O OE1 . GLN C 3 139 ? -27.875 39.345 13.014 1.00 72.67 ? 225 GLN C OE1 1 ATOM 4449 N NE2 . GLN C 3 139 ? -29.504 38.114 12.080 1.00 71.94 ? 225 GLN C NE2 1 ATOM 4450 N N . CYS C 3 140 ? -28.618 42.214 7.995 1.00 28.35 ? 226 CYS C N 1 ATOM 4451 C CA . CYS C 3 140 ? -28.411 43.551 7.433 1.00 27.86 ? 226 CYS C CA 1 ATOM 4452 C C . CYS C 3 140 ? -29.391 44.577 8.060 1.00 34.03 ? 226 CYS C C 1 ATOM 4453 O O . CYS C 3 140 ? -30.449 44.174 8.565 1.00 33.13 ? 226 CYS C O 1 ATOM 4454 C CB . CYS C 3 140 ? -28.540 43.508 5.912 1.00 27.84 ? 226 CYS C CB 1 ATOM 4455 S SG . CYS C 3 140 ? -27.047 42.947 5.053 1.00 31.42 ? 226 CYS C SG 1 ATOM 4456 N N . PRO C 3 141 ? -29.100 45.904 8.002 1.00 33.48 ? 227 PRO C N 1 ATOM 4457 C CA . PRO C 3 141 ? -30.040 46.884 8.580 1.00 39.45 ? 227 PRO C CA 1 ATOM 4458 C C . PRO C 3 141 ? -31.385 47.005 7.849 1.00 69.13 ? 227 PRO C C 1 ATOM 4459 O O . PRO C 3 141 ? -31.557 46.485 6.747 1.00 41.01 ? 227 PRO C O 1 ATOM 4460 C CB . PRO C 3 141 ? -29.247 48.191 8.545 1.00 40.58 ? 227 PRO C CB 1 ATOM 4461 C CG . PRO C 3 141 ? -28.277 48.020 7.429 1.00 42.93 ? 227 PRO C CG 1 ATOM 4462 C CD . PRO C 3 141 ? -27.900 46.576 7.453 1.00 37.25 ? 227 PRO C CD 1 HETATM 4463 CL CL . CL D 4 . ? -0.117 12.245 2.687 1.00 17.16 ? 301 CL B CL 1 HETATM 4464 C C1 . NAG E 5 . ? -9.753 42.574 -17.015 1.00 19.42 ? 601 NAG C C1 1 HETATM 4465 C C2 . NAG E 5 . ? -9.926 41.651 -18.220 1.00 18.54 ? 601 NAG C C2 1 HETATM 4466 C C3 . NAG E 5 . ? -8.619 40.950 -18.578 1.00 19.16 ? 601 NAG C C3 1 HETATM 4467 C C4 . NAG E 5 . ? -7.468 41.951 -18.663 1.00 16.96 ? 601 NAG C C4 1 HETATM 4468 C C5 . NAG E 5 . ? -7.376 42.736 -17.353 1.00 16.55 ? 601 NAG C C5 1 HETATM 4469 C C6 . NAG E 5 . ? -6.261 43.767 -17.307 1.00 18.95 ? 601 NAG C C6 1 HETATM 4470 C C7 . NAG E 5 . ? -12.247 40.830 -18.315 1.00 23.15 ? 601 NAG C C7 1 HETATM 4471 C C8 . NAG E 5 . ? -13.140 39.638 -18.122 1.00 25.93 ? 601 NAG C C8 1 HETATM 4472 N N2 . NAG E 5 . ? -10.969 40.664 -17.973 1.00 20.48 ? 601 NAG C N2 1 HETATM 4473 O O3 . NAG E 5 . ? -8.803 40.274 -19.816 1.00 20.08 ? 601 NAG C O3 1 HETATM 4474 O O4 . NAG E 5 . ? -6.260 41.231 -18.889 1.00 18.04 ? 601 NAG C O4 1 HETATM 4475 O O5 . NAG E 5 . ? -8.611 43.436 -17.136 1.00 18.49 ? 601 NAG C O5 1 HETATM 4476 O O6 . NAG E 5 . ? -6.348 44.742 -18.356 1.00 22.44 ? 601 NAG C O6 1 HETATM 4477 O O7 . NAG E 5 . ? -12.672 41.895 -18.739 1.00 25.35 ? 601 NAG C O7 1 HETATM 4478 C C1 . NAG F 5 . ? -5.591 41.446 -20.117 1.00 19.65 ? 602 NAG C C1 1 HETATM 4479 C C2 . NAG F 5 . ? -4.302 40.628 -20.081 1.00 20.52 ? 602 NAG C C2 1 HETATM 4480 C C3 . NAG F 5 . ? -3.589 40.665 -21.432 1.00 21.60 ? 602 NAG C C3 1 HETATM 4481 C C4 . NAG F 5 . ? -4.553 40.349 -22.572 1.00 24.40 ? 602 NAG C C4 1 HETATM 4482 C C5 . NAG F 5 . ? -5.814 41.208 -22.486 1.00 25.03 ? 602 NAG C C5 1 HETATM 4483 C C6 . NAG F 5 . ? -6.871 40.873 -23.521 1.00 28.07 ? 602 NAG C C6 1 HETATM 4484 C C7 . NAG F 5 . ? -3.155 40.326 -17.925 1.00 23.10 ? 602 NAG C C7 1 HETATM 4485 C C8 . NAG F 5 . ? -2.212 40.930 -16.926 1.00 21.14 ? 602 NAG C C8 1 HETATM 4486 N N2 . NAG F 5 . ? -3.414 41.068 -19.014 1.00 21.73 ? 602 NAG C N2 1 HETATM 4487 O O3 . NAG F 5 . ? -2.561 39.681 -21.422 1.00 21.30 ? 602 NAG C O3 1 HETATM 4488 O O4 . NAG F 5 . ? -3.894 40.568 -23.810 1.00 27.54 ? 602 NAG C O4 1 HETATM 4489 O O5 . NAG F 5 . ? -6.416 41.011 -21.200 1.00 20.10 ? 602 NAG C O5 1 HETATM 4490 O O6 . NAG F 5 . ? -7.346 39.538 -23.395 1.00 32.95 ? 602 NAG C O6 1 HETATM 4491 O O7 . NAG F 5 . ? -3.665 39.219 -17.753 1.00 23.08 ? 602 NAG C O7 1 HETATM 4492 C C1 . BMA G 6 . ? -3.860 39.496 -24.706 1.00 31.43 ? 603 BMA C C1 1 HETATM 4493 C C2 . BMA G 6 . ? -3.580 40.052 -26.102 1.00 35.41 ? 603 BMA C C2 1 HETATM 4494 C C3 . BMA G 6 . ? -3.451 38.915 -27.114 1.00 42.72 ? 603 BMA C C3 1 HETATM 4495 C C4 . BMA G 6 . ? -2.481 37.839 -26.629 1.00 39.85 ? 603 BMA C C4 1 HETATM 4496 C C5 . BMA G 6 . ? -2.842 37.394 -25.209 1.00 38.61 ? 603 BMA C C5 1 HETATM 4497 C C6 . BMA G 6 . ? -1.862 36.414 -24.599 1.00 42.80 ? 603 BMA C C6 1 HETATM 4498 O O2 . BMA G 6 . ? -2.410 40.859 -26.085 1.00 33.90 ? 603 BMA C O2 1 HETATM 4499 O O3 . BMA G 6 . ? -3.059 39.426 -28.388 1.00 51.07 ? 603 BMA C O3 1 HETATM 4500 O O4 . BMA G 6 . ? -2.517 36.726 -27.515 1.00 39.01 ? 603 BMA C O4 1 HETATM 4501 O O5 . BMA G 6 . ? -2.865 38.541 -24.341 1.00 32.26 ? 603 BMA C O5 1 HETATM 4502 O O6 . BMA G 6 . ? -0.551 36.971 -24.532 1.00 50.65 ? 603 BMA C O6 1 HETATM 4503 C C1 . MAN H 7 . ? 0.501 36.046 -24.432 1.00 59.04 ? 604 MAN C C1 1 HETATM 4504 C C2 . MAN H 7 . ? 1.818 36.824 -24.298 1.00 62.76 ? 604 MAN C C2 1 HETATM 4505 C C3 . MAN H 7 . ? 2.284 37.414 -25.630 1.00 66.92 ? 604 MAN C C3 1 HETATM 4506 C C4 . MAN H 7 . ? 2.242 36.387 -26.760 1.00 67.81 ? 604 MAN C C4 1 HETATM 4507 C C5 . MAN H 7 . ? 0.879 35.700 -26.803 1.00 69.39 ? 604 MAN C C5 1 HETATM 4508 C C6 . MAN H 7 . ? 0.765 34.601 -27.840 1.00 75.34 ? 604 MAN C C6 1 HETATM 4509 O O2 . MAN H 7 . ? 2.827 35.997 -23.733 1.00 64.31 ? 604 MAN C O2 1 HETATM 4510 O O3 . MAN H 7 . ? 3.615 37.911 -25.483 1.00 71.79 ? 604 MAN C O3 1 HETATM 4511 O O4 . MAN H 7 . ? 2.457 37.049 -28.000 1.00 67.77 ? 604 MAN C O4 1 HETATM 4512 O O5 . MAN H 7 . ? 0.577 35.115 -25.522 1.00 63.92 ? 604 MAN C O5 1 HETATM 4513 O O6 . MAN H 7 . ? 1.647 33.510 -27.598 1.00 80.33 ? 604 MAN C O6 1 HETATM 4514 C C1 . MAN I 7 . ? 3.929 39.285 -25.765 1.00 77.51 ? 605 MAN C C1 1 HETATM 4515 C C2 . MAN I 7 . ? 3.502 40.187 -24.595 1.00 79.49 ? 605 MAN C C2 1 HETATM 4516 C C3 . MAN I 7 . ? 3.017 41.548 -25.095 1.00 80.53 ? 605 MAN C C3 1 HETATM 4517 C C4 . MAN I 7 . ? 3.853 42.046 -26.273 1.00 81.32 ? 605 MAN C C4 1 HETATM 4518 C C5 . MAN I 7 . ? 3.788 41.064 -27.445 1.00 81.67 ? 605 MAN C C5 1 HETATM 4519 C C6 . MAN I 7 . ? 5.104 40.907 -28.181 1.00 82.16 ? 605 MAN C C6 1 HETATM 4520 O O2 . MAN I 7 . ? 4.583 40.334 -23.680 1.00 80.07 ? 605 MAN C O2 1 HETATM 4521 O O3 . MAN I 7 . ? 3.026 42.505 -24.040 1.00 79.66 ? 605 MAN C O3 1 HETATM 4522 O O4 . MAN I 7 . ? 3.381 43.321 -26.705 1.00 80.42 ? 605 MAN C O4 1 HETATM 4523 O O5 . MAN I 7 . ? 3.373 39.751 -27.008 1.00 80.32 ? 605 MAN C O5 1 HETATM 4524 O O6 . MAN I 7 . ? 5.502 42.110 -28.826 1.00 82.65 ? 605 MAN C O6 1 HETATM 4525 C C1 . MAN J 7 . ? -4.069 39.659 -29.382 1.00 57.09 ? 606 MAN C C1 1 HETATM 4526 C C2 . MAN J 7 . ? -3.407 39.706 -30.759 1.00 58.84 ? 606 MAN C C2 1 HETATM 4527 C C3 . MAN J 7 . ? -2.535 40.953 -30.899 1.00 60.79 ? 606 MAN C C3 1 HETATM 4528 C C4 . MAN J 7 . ? -3.295 42.233 -30.542 1.00 60.64 ? 606 MAN C C4 1 HETATM 4529 C C5 . MAN J 7 . ? -4.023 42.092 -29.205 1.00 61.37 ? 606 MAN C C5 1 HETATM 4530 C C6 . MAN J 7 . ? -4.977 43.231 -28.921 1.00 62.12 ? 606 MAN C C6 1 HETATM 4531 O O2 . MAN J 7 . ? -4.411 39.677 -31.768 1.00 57.94 ? 606 MAN C O2 1 HETATM 4532 O O3 . MAN J 7 . ? -2.015 41.033 -32.222 1.00 62.18 ? 606 MAN C O3 1 HETATM 4533 O O4 . MAN J 7 . ? -2.376 43.316 -30.431 1.00 57.98 ? 606 MAN C O4 1 HETATM 4534 O O5 . MAN J 7 . ? -4.800 40.876 -29.163 1.00 60.27 ? 606 MAN C O5 1 HETATM 4535 O O6 . MAN J 7 . ? -5.400 43.225 -27.563 1.00 64.16 ? 606 MAN C O6 1 HETATM 4536 C C1 . MAN K 7 . ? 1.930 32.769 -28.756 1.00 84.10 ? 607 MAN C C1 1 HETATM 4537 C C2 . MAN K 7 . ? 2.264 31.324 -28.354 1.00 85.17 ? 607 MAN C C2 1 HETATM 4538 C C3 . MAN K 7 . ? 3.660 31.212 -27.742 1.00 86.29 ? 607 MAN C C3 1 HETATM 4539 C C4 . MAN K 7 . ? 4.715 31.895 -28.608 1.00 87.55 ? 607 MAN C C4 1 HETATM 4540 C C5 . MAN K 7 . ? 4.293 33.330 -28.924 1.00 87.46 ? 607 MAN C C5 1 HETATM 4541 C C6 . MAN K 7 . ? 5.232 34.047 -29.869 1.00 87.69 ? 607 MAN C C6 1 HETATM 4542 O O3 . MAN K 7 . ? 4.001 29.842 -27.567 1.00 85.94 ? 607 MAN C O3 1 HETATM 4543 O O4 . MAN K 7 . ? 5.957 31.905 -27.910 1.00 88.58 ? 607 MAN C O4 1 HETATM 4544 O O5 . MAN K 7 . ? 2.991 33.338 -29.542 1.00 86.35 ? 607 MAN C O5 1 HETATM 4545 O O6 . MAN K 7 . ? 5.055 35.457 -29.802 1.00 87.53 ? 607 MAN C O6 1 HETATM 4546 C C1 . NAG L 5 . ? -30.129 40.125 -26.769 1.00 34.00 ? 608 NAG C C1 1 HETATM 4547 C C2 . NAG L 5 . ? -29.453 41.014 -27.815 1.00 34.65 ? 608 NAG C C2 1 HETATM 4548 C C3 . NAG L 5 . ? -30.432 41.204 -28.977 1.00 39.07 ? 608 NAG C C3 1 HETATM 4549 C C4 . NAG L 5 . ? -30.882 39.859 -29.547 1.00 45.00 ? 608 NAG C C4 1 HETATM 4550 C C5 . NAG L 5 . ? -31.499 39.005 -28.438 1.00 42.59 ? 608 NAG C C5 1 HETATM 4551 C C6 . NAG L 5 . ? -31.818 37.593 -28.874 1.00 44.24 ? 608 NAG C C6 1 HETATM 4552 C C7 . NAG L 5 . ? -27.856 42.847 -27.402 1.00 33.13 ? 608 NAG C C7 1 HETATM 4553 C C8 . NAG L 5 . ? -27.659 44.197 -26.780 1.00 34.12 ? 608 NAG C C8 1 HETATM 4554 N N2 . NAG L 5 . ? -29.075 42.305 -27.259 1.00 30.66 ? 608 NAG C N2 1 HETATM 4555 O O3 . NAG L 5 . ? -29.827 42.007 -29.985 1.00 37.31 ? 608 NAG C O3 1 HETATM 4556 O O4 . NAG L 5 . ? -31.853 40.075 -30.572 1.00 54.49 ? 608 NAG C O4 1 HETATM 4557 O O5 . NAG L 5 . ? -30.582 38.889 -27.333 1.00 38.30 ? 608 NAG C O5 1 HETATM 4558 O O6 . NAG L 5 . ? -32.729 36.971 -27.982 1.00 47.13 ? 608 NAG C O6 1 HETATM 4559 O O7 . NAG L 5 . ? -26.947 42.265 -27.985 1.00 36.15 ? 608 NAG C O7 1 HETATM 4560 C C1 . NAG M 5 . ? -31.621 39.536 -31.877 1.00 61.74 ? 609 NAG C C1 1 HETATM 4561 C C2 . NAG M 5 . ? -32.980 39.255 -32.526 1.00 65.81 ? 609 NAG C C2 1 HETATM 4562 C C3 . NAG M 5 . ? -32.826 38.863 -33.998 1.00 69.18 ? 609 NAG C C3 1 HETATM 4563 C C4 . NAG M 5 . ? -31.950 39.867 -34.742 1.00 70.11 ? 609 NAG C C4 1 HETATM 4564 C C5 . NAG M 5 . ? -30.610 40.015 -34.022 1.00 68.74 ? 609 NAG C C5 1 HETATM 4565 C C6 . NAG M 5 . ? -29.686 41.033 -34.649 1.00 69.46 ? 609 NAG C C6 1 HETATM 4566 C C7 . NAG M 5 . ? -34.726 38.476 -30.959 1.00 64.08 ? 609 NAG C C7 1 HETATM 4567 C C8 . NAG M 5 . ? -35.357 37.277 -30.314 1.00 63.96 ? 609 NAG C C8 1 HETATM 4568 N N2 . NAG M 5 . ? -33.705 38.223 -31.796 1.00 64.75 ? 609 NAG C N2 1 HETATM 4569 O O3 . NAG M 5 . ? -34.108 38.792 -34.613 1.00 70.04 ? 609 NAG C O3 1 HETATM 4570 O O4 . NAG M 5 . ? -31.754 39.432 -36.085 1.00 71.86 ? 609 NAG C O4 1 HETATM 4571 O O5 . NAG M 5 . ? -30.836 40.441 -32.665 1.00 65.44 ? 609 NAG C O5 1 HETATM 4572 O O6 . NAG M 5 . ? -28.379 40.944 -34.096 1.00 70.13 ? 609 NAG C O6 1 HETATM 4573 O O7 . NAG M 5 . ? -35.119 39.618 -30.731 1.00 63.21 ? 609 NAG C O7 1 HETATM 4574 C C1 . NAG N 5 . ? -39.959 42.458 -8.074 1.00 94.04 ? 610 NAG C C1 1 HETATM 4575 C C2 . NAG N 5 . ? -39.728 41.235 -7.182 1.00 97.09 ? 610 NAG C C2 1 HETATM 4576 C C3 . NAG N 5 . ? -40.407 40.089 -7.940 1.00 97.56 ? 610 NAG C C3 1 HETATM 4577 C C4 . NAG N 5 . ? -41.899 40.361 -8.129 1.00 97.73 ? 610 NAG C C4 1 HETATM 4578 C C5 . NAG N 5 . ? -42.127 41.712 -8.807 1.00 97.40 ? 610 NAG C C5 1 HETATM 4579 C C6 . NAG N 5 . ? -43.569 42.167 -8.767 1.00 98.21 ? 610 NAG C C6 1 HETATM 4580 C C7 . NAG N 5 . ? -37.894 40.344 -5.788 1.00 100.56 ? 610 NAG C C7 1 HETATM 4581 C C8 . NAG N 5 . ? -36.495 39.803 -5.822 1.00 100.45 ? 610 NAG C C8 1 HETATM 4582 N N2 . NAG N 5 . ? -38.330 40.919 -6.924 1.00 99.35 ? 610 NAG C N2 1 HETATM 4583 O O3 . NAG N 5 . ? -40.227 38.854 -7.255 1.00 97.83 ? 610 NAG C O3 1 HETATM 4584 O O4 . NAG N 5 . ? -42.466 39.334 -8.937 1.00 98.25 ? 610 NAG C O4 1 HETATM 4585 O O5 . NAG N 5 . ? -41.361 42.729 -8.136 1.00 96.10 ? 610 NAG C O5 1 HETATM 4586 O O6 . NAG N 5 . ? -43.708 43.505 -9.229 1.00 98.49 ? 610 NAG C O6 1 HETATM 4587 O O7 . NAG N 5 . ? -38.605 40.241 -4.791 1.00 101.40 ? 610 NAG C O7 1 HETATM 4588 O O . HOH O 8 . ? -1.222 -4.202 -22.819 1.00 42.64 ? 301 HOH A O 1 HETATM 4589 O O . HOH O 8 . ? -13.588 -10.889 -25.104 1.00 36.60 ? 302 HOH A O 1 HETATM 4590 O O . HOH O 8 . ? -10.213 22.850 -26.093 1.00 19.48 ? 303 HOH A O 1 HETATM 4591 O O . HOH O 8 . ? -20.418 7.528 -13.371 1.00 23.75 ? 304 HOH A O 1 HETATM 4592 O O . HOH O 8 . ? -4.941 -3.903 -38.243 1.00 23.66 ? 305 HOH A O 1 HETATM 4593 O O . HOH O 8 . ? -9.640 7.837 -21.583 1.00 19.36 ? 306 HOH A O 1 HETATM 4594 O O . HOH O 8 . ? -23.079 6.618 -26.228 1.00 21.44 ? 307 HOH A O 1 HETATM 4595 O O . HOH O 8 . ? -0.358 -12.745 -18.162 1.00 25.53 ? 308 HOH A O 1 HETATM 4596 O O . HOH O 8 . ? -31.366 9.933 -19.814 1.00 33.38 ? 309 HOH A O 1 HETATM 4597 O O . HOH O 8 . ? -34.353 13.035 -22.672 1.00 36.54 ? 310 HOH A O 1 HETATM 4598 O O . HOH O 8 . ? -22.450 -0.014 -26.326 1.00 19.75 ? 311 HOH A O 1 HETATM 4599 O O . HOH O 8 . ? -29.644 28.282 -13.058 1.00 32.39 ? 312 HOH A O 1 HETATM 4600 O O . HOH O 8 . ? -8.203 15.479 -28.619 1.00 25.40 ? 313 HOH A O 1 HETATM 4601 O O . HOH O 8 . ? 13.638 -25.051 -26.256 1.00 46.40 ? 314 HOH A O 1 HETATM 4602 O O . HOH O 8 . ? -9.241 22.811 -28.503 1.00 37.36 ? 315 HOH A O 1 HETATM 4603 O O . HOH O 8 . ? -25.427 5.089 -32.194 1.00 51.89 ? 316 HOH A O 1 HETATM 4604 O O . HOH O 8 . ? -11.345 3.974 -39.053 1.00 43.32 ? 317 HOH A O 1 HETATM 4605 O O . HOH O 8 . ? 6.644 -17.815 -18.491 1.00 25.94 ? 318 HOH A O 1 HETATM 4606 O O . HOH O 8 . ? -3.280 2.962 -36.637 1.00 25.95 ? 319 HOH A O 1 HETATM 4607 O O . HOH O 8 . ? -10.115 -20.558 -27.141 1.00 34.38 ? 320 HOH A O 1 HETATM 4608 O O . HOH O 8 . ? -12.410 15.720 -35.290 1.00 46.76 ? 321 HOH A O 1 HETATM 4609 O O . HOH O 8 . ? -28.489 23.636 -26.635 1.00 25.24 ? 322 HOH A O 1 HETATM 4610 O O . HOH O 8 . ? -3.780 -26.999 -28.240 1.00 32.92 ? 323 HOH A O 1 HETATM 4611 O O . HOH O 8 . ? 0.516 -5.659 -31.738 1.00 19.98 ? 324 HOH A O 1 HETATM 4612 O O . HOH O 8 . ? -18.321 23.425 -10.030 1.00 13.02 ? 325 HOH A O 1 HETATM 4613 O O . HOH O 8 . ? -24.592 18.717 -23.832 1.00 24.67 ? 326 HOH A O 1 HETATM 4614 O O . HOH O 8 . ? -19.696 22.057 -7.704 1.00 20.12 ? 327 HOH A O 1 HETATM 4615 O O . HOH O 8 . ? -19.567 -4.496 -34.773 1.00 24.07 ? 328 HOH A O 1 HETATM 4616 O O . HOH O 8 . ? -3.064 -12.099 -22.072 1.00 27.04 ? 329 HOH A O 1 HETATM 4617 O O . HOH O 8 . ? -22.967 17.806 -34.295 1.00 17.26 ? 330 HOH A O 1 HETATM 4618 O O . HOH O 8 . ? -4.640 17.695 -22.075 1.00 17.89 ? 331 HOH A O 1 HETATM 4619 O O . HOH O 8 . ? -14.444 25.121 -35.945 1.00 26.93 ? 332 HOH A O 1 HETATM 4620 O O . HOH O 8 . ? -20.617 -9.320 -39.790 1.00 36.30 ? 333 HOH A O 1 HETATM 4621 O O . HOH O 8 . ? -4.924 -11.882 -41.558 1.00 37.33 ? 334 HOH A O 1 HETATM 4622 O O . HOH O 8 . ? -32.013 12.420 -12.207 1.00 38.51 ? 335 HOH A O 1 HETATM 4623 O O . HOH O 8 . ? -21.020 23.249 -33.114 1.00 30.58 ? 336 HOH A O 1 HETATM 4624 O O . HOH O 8 . ? -32.020 26.119 -10.876 1.00 35.33 ? 337 HOH A O 1 HETATM 4625 O O . HOH O 8 . ? -32.817 29.045 -16.369 1.00 43.52 ? 338 HOH A O 1 HETATM 4626 O O . HOH O 8 . ? -19.265 17.898 -38.805 1.00 35.58 ? 339 HOH A O 1 HETATM 4627 O O . HOH O 8 . ? -10.342 -10.060 -41.541 1.00 38.96 ? 340 HOH A O 1 HETATM 4628 O O . HOH O 8 . ? -18.217 0.164 -37.903 1.00 42.61 ? 341 HOH A O 1 HETATM 4629 O O . HOH O 8 . ? -33.210 21.359 -12.212 1.00 28.80 ? 342 HOH A O 1 HETATM 4630 O O . HOH O 8 . ? -6.716 -3.311 -41.811 1.00 45.65 ? 343 HOH A O 1 HETATM 4631 O O . HOH O 8 . ? -6.314 -16.285 -42.257 1.00 32.05 ? 344 HOH A O 1 HETATM 4632 O O . HOH O 8 . ? 2.674 -11.538 -17.151 1.00 51.99 ? 345 HOH A O 1 HETATM 4633 O O . HOH O 8 . ? -14.116 5.615 -15.945 1.00 36.07 ? 346 HOH A O 1 HETATM 4634 O O . HOH O 8 . ? -26.994 9.528 -12.953 1.00 24.99 ? 347 HOH A O 1 HETATM 4635 O O . HOH O 8 . ? 13.598 -15.263 -25.555 1.00 28.31 ? 348 HOH A O 1 HETATM 4636 O O . HOH O 8 . ? -16.263 13.908 -42.335 1.00 43.12 ? 349 HOH A O 1 HETATM 4637 O O . HOH O 8 . ? -7.226 14.141 -26.468 1.00 19.19 ? 350 HOH A O 1 HETATM 4638 O O . HOH O 8 . ? -13.413 14.639 -8.754 1.00 12.69 ? 351 HOH A O 1 HETATM 4639 O O . HOH O 8 . ? -9.818 1.776 -30.576 1.00 48.48 ? 352 HOH A O 1 HETATM 4640 O O . HOH O 8 . ? -16.068 14.309 -6.594 1.00 16.71 ? 353 HOH A O 1 HETATM 4641 O O . HOH O 8 . ? -4.142 -15.888 -16.118 1.00 33.58 ? 354 HOH A O 1 HETATM 4642 O O . HOH O 8 . ? -27.623 9.618 -7.363 1.00 36.07 ? 355 HOH A O 1 HETATM 4643 O O . HOH O 8 . ? 3.267 -26.356 -28.014 1.00 22.31 ? 356 HOH A O 1 HETATM 4644 O O . HOH O 8 . ? 4.742 -28.759 -27.760 1.00 26.45 ? 357 HOH A O 1 HETATM 4645 O O . HOH O 8 . ? -4.145 9.228 -21.807 1.00 46.00 ? 358 HOH A O 1 HETATM 4646 O O . HOH O 8 . ? -31.312 16.593 -27.703 1.00 24.71 ? 359 HOH A O 1 HETATM 4647 O O . HOH O 8 . ? -19.529 4.262 -21.476 1.00 15.20 ? 360 HOH A O 1 HETATM 4648 O O . HOH O 8 . ? -1.657 -4.206 -31.366 1.00 23.83 ? 361 HOH A O 1 HETATM 4649 O O . HOH O 8 . ? -8.989 -6.296 -26.437 1.00 35.32 ? 362 HOH A O 1 HETATM 4650 O O . HOH O 8 . ? -24.154 31.989 -26.433 1.00 56.35 ? 363 HOH A O 1 HETATM 4651 O O . HOH O 8 . ? -16.231 2.483 -29.068 1.00 13.04 ? 364 HOH A O 1 HETATM 4652 O O . HOH O 8 . ? 14.890 -13.734 -21.836 1.00 48.31 ? 365 HOH A O 1 HETATM 4653 O O . HOH O 8 . ? -33.566 21.508 -6.149 1.00 72.32 ? 366 HOH A O 1 HETATM 4654 O O . HOH O 8 . ? 9.152 -25.166 -16.423 1.00 81.25 ? 367 HOH A O 1 HETATM 4655 O O . HOH O 8 . ? -0.765 -25.052 -34.731 1.00 61.27 ? 368 HOH A O 1 HETATM 4656 O O . HOH O 8 . ? -6.126 -0.450 -27.543 1.00 35.90 ? 369 HOH A O 1 HETATM 4657 O O . HOH O 8 . ? -6.714 9.814 -37.193 1.00 43.13 ? 370 HOH A O 1 HETATM 4658 O O . HOH O 8 . ? -29.206 7.517 -23.101 1.00 38.20 ? 371 HOH A O 1 HETATM 4659 O O . HOH O 8 . ? -1.006 -5.829 -38.599 1.00 26.27 ? 372 HOH A O 1 HETATM 4660 O O . HOH O 8 . ? -14.043 14.759 -31.975 1.00 14.73 ? 373 HOH A O 1 HETATM 4661 O O . HOH O 8 . ? 15.925 -23.722 -26.848 1.00 59.92 ? 374 HOH A O 1 HETATM 4662 O O . HOH O 8 . ? -9.427 -24.838 -21.119 1.00 18.40 ? 375 HOH A O 1 HETATM 4663 O O . HOH O 8 . ? -1.519 -26.145 -24.739 1.00 18.57 ? 376 HOH A O 1 HETATM 4664 O O . HOH O 8 . ? -19.077 29.198 -12.796 1.00 32.35 ? 377 HOH A O 1 HETATM 4665 O O . HOH O 8 . ? 7.116 -12.466 -23.526 1.00 15.14 ? 378 HOH A O 1 HETATM 4666 O O . HOH O 8 . ? -14.437 30.160 -5.489 1.00 37.60 ? 379 HOH A O 1 HETATM 4667 O O . HOH O 8 . ? -9.497 -23.616 -25.176 1.00 46.98 ? 380 HOH A O 1 HETATM 4668 O O . HOH O 8 . ? 12.291 -30.408 -19.901 1.00 35.52 ? 381 HOH A O 1 HETATM 4669 O O . HOH O 8 . ? -21.140 32.007 -2.974 1.00 11.29 ? 382 HOH A O 1 HETATM 4670 O O . HOH O 8 . ? -0.117 -2.732 -41.224 1.00 23.26 ? 383 HOH A O 1 HETATM 4671 O O . HOH O 8 . ? -10.055 -12.527 -40.372 1.00 44.16 ? 384 HOH A O 1 HETATM 4672 O O . HOH O 8 . ? -27.143 17.290 -28.816 1.00 16.76 ? 385 HOH A O 1 HETATM 4673 O O . HOH O 8 . ? -9.511 -21.021 -18.077 1.00 26.02 ? 386 HOH A O 1 HETATM 4674 O O . HOH O 8 . ? -15.053 28.581 -34.957 1.00 54.16 ? 387 HOH A O 1 HETATM 4675 O O . HOH O 8 . ? -26.425 20.540 -15.795 1.00 23.27 ? 388 HOH A O 1 HETATM 4676 O O . HOH O 8 . ? -25.943 2.971 -23.316 1.00 36.84 ? 389 HOH A O 1 HETATM 4677 O O . HOH O 8 . ? 4.569 -20.418 -36.497 1.00 27.14 ? 390 HOH A O 1 HETATM 4678 O O . HOH O 8 . ? -26.692 8.246 -19.943 1.00 21.88 ? 391 HOH A O 1 HETATM 4679 O O . HOH O 8 . ? -15.632 11.325 -42.427 1.00 38.35 ? 392 HOH A O 1 HETATM 4680 O O . HOH O 8 . ? -21.521 10.079 -23.108 1.00 14.44 ? 393 HOH A O 1 HETATM 4681 O O . HOH O 8 . ? -5.680 7.334 -23.288 1.00 36.31 ? 394 HOH A O 1 HETATM 4682 O O . HOH O 8 . ? -24.649 19.695 -5.984 1.00 21.32 ? 395 HOH A O 1 HETATM 4683 O O . HOH O 8 . ? -13.852 -1.464 -31.112 1.00 18.38 ? 396 HOH A O 1 HETATM 4684 O O . HOH O 8 . ? -10.901 5.426 -36.168 1.00 31.24 ? 397 HOH A O 1 HETATM 4685 O O . HOH O 8 . ? -26.742 11.195 -34.086 1.00 16.66 ? 398 HOH A O 1 HETATM 4686 O O . HOH O 8 . ? -26.288 30.248 -2.456 1.00 22.77 ? 399 HOH A O 1 HETATM 4687 O O . HOH O 8 . ? 4.570 -9.747 -17.946 1.00 44.70 ? 400 HOH A O 1 HETATM 4688 O O . HOH O 8 . ? 0.357 -5.829 -21.351 1.00 61.66 ? 401 HOH A O 1 HETATM 4689 O O . HOH O 8 . ? -24.281 19.243 -14.870 1.00 19.77 ? 402 HOH A O 1 HETATM 4690 O O . HOH O 8 . ? -37.728 25.066 -20.913 1.00 62.78 ? 403 HOH A O 1 HETATM 4691 O O . HOH O 8 . ? -2.584 -16.378 -20.113 1.00 19.22 ? 404 HOH A O 1 HETATM 4692 O O . HOH O 8 . ? 8.625 -20.231 -41.353 1.00 60.92 ? 405 HOH A O 1 HETATM 4693 O O . HOH O 8 . ? -10.260 -1.620 -44.817 1.00 42.01 ? 406 HOH A O 1 HETATM 4694 O O . HOH O 8 . ? 2.683 -6.868 -20.404 1.00 37.08 ? 407 HOH A O 1 HETATM 4695 O O . HOH O 8 . ? -21.668 -0.534 -29.111 1.00 43.17 ? 408 HOH A O 1 HETATM 4696 O O . HOH O 8 . ? -30.376 15.604 -31.961 1.00 45.76 ? 409 HOH A O 1 HETATM 4697 O O . HOH O 8 . ? -6.639 -3.893 -26.536 1.00 18.46 ? 410 HOH A O 1 HETATM 4698 O O . HOH O 8 . ? -7.562 -11.468 -41.334 1.00 44.74 ? 411 HOH A O 1 HETATM 4699 O O . HOH O 8 . ? -24.595 34.038 -22.575 1.00 42.42 ? 412 HOH A O 1 HETATM 4700 O O . HOH O 8 . ? -21.585 8.387 -43.898 1.00 33.72 ? 413 HOH A O 1 HETATM 4701 O O . HOH O 8 . ? -5.519 -6.477 -39.259 1.00 28.94 ? 414 HOH A O 1 HETATM 4702 O O . HOH O 8 . ? -6.999 17.400 -33.346 1.00 42.12 ? 415 HOH A O 1 HETATM 4703 O O . HOH O 8 . ? -9.002 2.707 -39.376 1.00 25.37 ? 416 HOH A O 1 HETATM 4704 O O . HOH O 8 . ? -27.011 18.693 -35.524 1.00 45.01 ? 417 HOH A O 1 HETATM 4705 O O . HOH O 8 . ? -29.059 31.379 -20.067 1.00 28.05 ? 418 HOH A O 1 HETATM 4706 O O . HOH O 8 . ? -28.192 17.134 -31.396 1.00 25.49 ? 419 HOH A O 1 HETATM 4707 O O . HOH O 8 . ? -24.083 3.090 -19.704 1.00 53.20 ? 420 HOH A O 1 HETATM 4708 O O . HOH O 8 . ? -22.191 28.651 -28.837 1.00 31.53 ? 421 HOH A O 1 HETATM 4709 O O . HOH O 8 . ? -9.515 16.837 -31.352 1.00 27.69 ? 422 HOH A O 1 HETATM 4710 O O . HOH O 8 . ? -16.703 12.225 -10.281 1.00 13.00 ? 423 HOH A O 1 HETATM 4711 O O . HOH O 8 . ? 11.796 -16.562 -30.552 1.00 21.40 ? 424 HOH A O 1 HETATM 4712 O O . HOH O 8 . ? -32.129 12.130 -28.303 1.00 42.57 ? 425 HOH A O 1 HETATM 4713 O O . HOH O 8 . ? -8.744 7.728 -24.304 1.00 24.93 ? 426 HOH A O 1 HETATM 4714 O O . HOH O 8 . ? -26.198 7.788 -31.472 1.00 23.55 ? 427 HOH A O 1 HETATM 4715 O O . HOH O 8 . ? -17.634 -5.983 -28.586 1.00 26.28 ? 428 HOH A O 1 HETATM 4716 O O . HOH O 8 . ? -7.434 -18.197 -37.511 1.00 32.41 ? 429 HOH A O 1 HETATM 4717 O O . HOH O 8 . ? -23.514 6.198 -36.543 1.00 32.90 ? 430 HOH A O 1 HETATM 4718 O O . HOH O 8 . ? -13.944 5.388 -20.010 1.00 32.75 ? 431 HOH A O 1 HETATM 4719 O O . HOH O 8 . ? -20.185 10.069 -8.650 1.00 30.32 ? 432 HOH A O 1 HETATM 4720 O O . HOH O 8 . ? -5.384 -23.891 -23.828 1.00 19.49 ? 433 HOH A O 1 HETATM 4721 O O . HOH O 8 . ? -34.047 19.845 -14.327 1.00 36.03 ? 434 HOH A O 1 HETATM 4722 O O . HOH O 8 . ? -19.444 24.165 -5.479 1.00 18.59 ? 435 HOH A O 1 HETATM 4723 O O . HOH O 8 . ? -26.774 27.508 -27.625 1.00 60.86 ? 436 HOH A O 1 HETATM 4724 O O . HOH O 8 . ? -14.225 29.733 -28.269 1.00 38.86 ? 437 HOH A O 1 HETATM 4725 O O . HOH O 8 . ? -4.596 -5.931 -25.313 1.00 28.80 ? 438 HOH A O 1 HETATM 4726 O O . HOH O 8 . ? -31.399 15.842 -11.314 1.00 37.91 ? 439 HOH A O 1 HETATM 4727 O O . HOH O 8 . ? 11.446 -28.122 -23.523 1.00 41.19 ? 440 HOH A O 1 HETATM 4728 O O . HOH O 8 . ? -32.079 15.747 -8.444 1.00 42.75 ? 441 HOH A O 1 HETATM 4729 O O . HOH O 8 . ? -12.424 4.330 -43.428 1.00 32.56 ? 442 HOH A O 1 HETATM 4730 O O . HOH O 8 . ? -20.836 4.828 -13.801 1.00 39.06 ? 443 HOH A O 1 HETATM 4731 O O . HOH O 8 . ? -31.698 22.781 -22.892 1.00 38.13 ? 444 HOH A O 1 HETATM 4732 O O . HOH O 8 . ? -25.668 9.303 -38.922 1.00 26.90 ? 445 HOH A O 1 HETATM 4733 O O . HOH O 8 . ? -5.336 3.367 -40.601 1.00 39.18 ? 446 HOH A O 1 HETATM 4734 O O . HOH O 8 . ? -24.744 24.091 -5.236 1.00 22.91 ? 447 HOH A O 1 HETATM 4735 O O . HOH O 8 . ? -14.585 -6.413 -42.557 1.00 42.89 ? 448 HOH A O 1 HETATM 4736 O O . HOH O 8 . ? -28.184 9.504 -26.613 1.00 29.05 ? 449 HOH A O 1 HETATM 4737 O O . HOH O 8 . ? -30.134 8.652 -3.565 1.00 50.94 ? 450 HOH A O 1 HETATM 4738 O O . HOH O 8 . ? -27.774 9.841 -36.635 1.00 53.36 ? 451 HOH A O 1 HETATM 4739 O O . HOH O 8 . ? 0.198 -8.415 -20.735 1.00 25.08 ? 452 HOH A O 1 HETATM 4740 O O . HOH O 8 . ? -18.652 32.863 -20.782 1.00 22.43 ? 453 HOH A O 1 HETATM 4741 O O . HOH O 8 . ? -16.187 -13.131 -39.441 1.00 35.46 ? 454 HOH A O 1 HETATM 4742 O O . HOH O 8 . ? -15.605 -20.472 -32.483 1.00 34.57 ? 455 HOH A O 1 HETATM 4743 O O . HOH O 8 . ? -30.751 21.987 -25.295 1.00 20.12 ? 456 HOH A O 1 HETATM 4744 O O . HOH O 8 . ? 5.897 -11.937 -15.676 1.00 37.03 ? 457 HOH A O 1 HETATM 4745 O O . HOH O 8 . ? -17.107 -9.755 -41.522 1.00 44.03 ? 458 HOH A O 1 HETATM 4746 O O . HOH O 8 . ? -20.289 10.832 -11.181 1.00 26.87 ? 459 HOH A O 1 HETATM 4747 O O . HOH O 8 . ? -6.720 -10.099 -23.719 1.00 26.80 ? 460 HOH A O 1 HETATM 4748 O O . HOH O 8 . ? -9.049 -16.651 -24.428 1.00 25.39 ? 461 HOH A O 1 HETATM 4749 O O . HOH O 8 . ? -31.574 9.440 -22.641 1.00 29.91 ? 462 HOH A O 1 HETATM 4750 O O . HOH O 8 . ? -11.819 -15.544 -31.860 1.00 28.11 ? 463 HOH A O 1 HETATM 4751 O O . HOH O 8 . ? -22.803 3.957 -38.338 1.00 28.92 ? 464 HOH A O 1 HETATM 4752 O O . HOH O 8 . ? -9.308 -21.540 -23.458 1.00 30.29 ? 465 HOH A O 1 HETATM 4753 O O . HOH O 8 . ? -25.788 15.615 -38.016 1.00 40.88 ? 466 HOH A O 1 HETATM 4754 O O . HOH O 8 . ? 16.235 -23.976 -18.996 1.00 43.76 ? 467 HOH A O 1 HETATM 4755 O O . HOH O 8 . ? -13.915 -21.418 -23.561 1.00 45.31 ? 468 HOH A O 1 HETATM 4756 O O . HOH O 8 . ? -19.878 2.490 -19.318 1.00 30.55 ? 469 HOH A O 1 HETATM 4757 O O . HOH O 8 . ? -24.699 23.158 -29.915 1.00 17.17 ? 470 HOH A O 1 HETATM 4758 O O . HOH O 8 . ? -23.199 13.400 -39.891 1.00 27.02 ? 471 HOH A O 1 HETATM 4759 O O . HOH O 8 . ? -9.229 10.228 -41.449 1.00 56.08 ? 472 HOH A O 1 HETATM 4760 O O . HOH O 8 . ? -16.931 -2.324 -28.181 1.00 34.72 ? 473 HOH A O 1 HETATM 4761 O O . HOH O 8 . ? -20.353 0.193 -22.994 1.00 25.81 ? 474 HOH A O 1 HETATM 4762 O O . HOH O 8 . ? -26.714 32.179 -10.231 1.00 31.44 ? 475 HOH A O 1 HETATM 4763 O O . HOH O 8 . ? -17.479 8.462 -12.859 1.00 30.90 ? 476 HOH A O 1 HETATM 4764 O O . HOH O 8 . ? -27.165 29.718 -8.807 1.00 30.60 ? 477 HOH A O 1 HETATM 4765 O O . HOH O 8 . ? 0.978 -27.617 -20.966 1.00 46.88 ? 478 HOH A O 1 HETATM 4766 O O . HOH O 8 . ? -13.866 15.480 -39.180 1.00 43.38 ? 479 HOH A O 1 HETATM 4767 O O . HOH O 8 . ? -13.271 27.330 -7.144 1.00 12.03 ? 480 HOH A O 1 HETATM 4768 O O . HOH O 8 . ? -17.658 3.221 -23.493 1.00 20.58 ? 481 HOH A O 1 HETATM 4769 O O . HOH O 8 . ? -25.870 26.087 -29.727 1.00 45.96 ? 482 HOH A O 1 HETATM 4770 O O . HOH O 8 . ? -16.389 31.308 -16.226 1.00 19.37 ? 483 HOH A O 1 HETATM 4771 O O . HOH O 8 . ? -27.510 29.331 -4.675 1.00 39.51 ? 484 HOH A O 1 HETATM 4772 O O . HOH O 8 . ? -6.124 2.364 -32.327 1.00 24.14 ? 485 HOH A O 1 HETATM 4773 O O . HOH O 8 . ? -22.912 1.589 -31.582 1.00 25.07 ? 486 HOH A O 1 HETATM 4774 O O . HOH O 8 . ? -3.517 -6.458 -42.997 1.00 43.47 ? 487 HOH A O 1 HETATM 4775 O O . HOH O 8 . ? -7.694 6.638 -31.914 1.00 55.25 ? 488 HOH A O 1 HETATM 4776 O O . HOH O 8 . ? -24.087 33.177 -13.318 1.00 22.31 ? 489 HOH A O 1 HETATM 4777 O O . HOH O 8 . ? -4.646 15.787 -25.984 1.00 57.36 ? 490 HOH A O 1 HETATM 4778 O O . HOH O 8 . ? -8.953 -0.599 -28.015 1.00 42.28 ? 491 HOH A O 1 HETATM 4779 O O . HOH O 8 . ? -19.938 0.692 -43.976 1.00 85.26 ? 492 HOH A O 1 HETATM 4780 O O . HOH O 8 . ? -22.445 22.074 -4.456 1.00 64.47 ? 493 HOH A O 1 HETATM 4781 O O . HOH O 8 . ? 5.720 -28.821 -37.220 1.00 58.11 ? 494 HOH A O 1 HETATM 4782 O O . HOH O 8 . ? 2.590 -18.793 -15.215 1.00 22.65 ? 495 HOH A O 1 HETATM 4783 O O . HOH O 8 . ? -30.297 28.902 -26.481 1.00 68.96 ? 496 HOH A O 1 HETATM 4784 O O . HOH O 8 . ? -38.467 13.224 -19.734 1.00 49.26 ? 497 HOH A O 1 HETATM 4785 O O . HOH O 8 . ? -11.926 -16.081 -34.666 1.00 45.15 ? 498 HOH A O 1 HETATM 4786 O O . HOH O 8 . ? -31.774 13.109 -9.061 1.00 42.88 ? 499 HOH A O 1 HETATM 4787 O O . HOH O 8 . ? -29.257 7.601 -0.701 1.00 77.99 ? 500 HOH A O 1 HETATM 4788 O O . HOH O 8 . ? -27.448 30.088 -27.185 1.00 53.11 ? 501 HOH A O 1 HETATM 4789 O O . HOH O 8 . ? -9.815 -23.621 -32.497 1.00 26.76 ? 502 HOH A O 1 HETATM 4790 O O . HOH O 8 . ? -27.418 23.448 -29.571 1.00 29.90 ? 503 HOH A O 1 HETATM 4791 O O . HOH O 8 . ? -16.729 -4.968 -43.421 1.00 40.97 ? 504 HOH A O 1 HETATM 4792 O O . HOH O 8 . ? -9.577 12.224 -39.183 1.00 43.54 ? 505 HOH A O 1 HETATM 4793 O O . HOH O 8 . ? 7.667 -10.244 -18.400 1.00 35.12 ? 506 HOH A O 1 HETATM 4794 O O . HOH O 8 . ? -35.163 21.110 -21.462 1.00 26.12 ? 507 HOH A O 1 HETATM 4795 O O . HOH O 8 . ? -13.902 32.740 -5.741 1.00 31.53 ? 508 HOH A O 1 HETATM 4796 O O . HOH O 8 . ? 3.562 -22.521 -34.989 1.00 35.08 ? 509 HOH A O 1 HETATM 4797 O O . HOH O 8 . ? -23.207 1.864 -36.628 1.00 44.37 ? 510 HOH A O 1 HETATM 4798 O O . HOH O 8 . ? -21.926 19.942 -35.649 1.00 38.87 ? 511 HOH A O 1 HETATM 4799 O O . HOH O 8 . ? -22.587 -12.779 -32.503 1.00 55.46 ? 512 HOH A O 1 HETATM 4800 O O . HOH O 8 . ? -6.755 -12.318 -20.780 1.00 27.22 ? 513 HOH A O 1 HETATM 4801 O O . HOH O 8 . ? -6.034 20.354 -24.758 1.00 30.47 ? 514 HOH A O 1 HETATM 4802 O O . HOH O 8 . ? -14.637 30.456 -0.891 1.00 23.98 ? 515 HOH A O 1 HETATM 4803 O O . HOH O 8 . ? -35.381 24.161 -12.980 1.00 48.04 ? 516 HOH A O 1 HETATM 4804 O O . HOH O 8 . ? -12.451 -13.941 -40.315 1.00 58.08 ? 517 HOH A O 1 HETATM 4805 O O . HOH O 8 . ? -9.605 -8.184 -23.044 1.00 40.82 ? 518 HOH A O 1 HETATM 4806 O O . HOH O 8 . ? 13.395 -17.727 -28.739 1.00 29.93 ? 519 HOH A O 1 HETATM 4807 O O . HOH O 8 . ? -12.288 4.897 -28.421 1.00 36.79 ? 520 HOH A O 1 HETATM 4808 O O . HOH O 8 . ? -14.616 28.604 -2.858 1.00 20.03 ? 521 HOH A O 1 HETATM 4809 O O . HOH O 8 . ? -36.046 28.567 -21.034 1.00 39.62 ? 522 HOH A O 1 HETATM 4810 O O . HOH O 8 . ? -3.791 -25.685 -33.206 1.00 33.67 ? 523 HOH A O 1 HETATM 4811 O O . HOH O 8 . ? -32.958 18.832 -11.083 1.00 27.37 ? 524 HOH A O 1 HETATM 4812 O O . HOH O 8 . ? -11.422 3.860 -30.743 1.00 50.16 ? 525 HOH A O 1 HETATM 4813 O O . HOH O 8 . ? -28.281 26.418 -4.303 1.00 43.15 ? 526 HOH A O 1 HETATM 4814 O O . HOH O 8 . ? -21.998 19.071 -3.873 1.00 32.39 ? 527 HOH A O 1 HETATM 4815 O O . HOH O 8 . ? 9.227 -20.988 -17.678 1.00 24.23 ? 528 HOH A O 1 HETATM 4816 O O . HOH O 8 . ? -8.355 22.029 -23.512 1.00 3.00 ? 529 HOH A O 1 HETATM 4817 O O . HOH O 8 . ? -21.931 -7.928 -32.113 1.00 40.29 ? 530 HOH A O 1 HETATM 4818 O O . HOH O 8 . ? 0.817 -23.840 -18.337 1.00 27.35 ? 531 HOH A O 1 HETATM 4819 O O . HOH O 8 . ? -34.802 22.918 -10.624 1.00 44.15 ? 532 HOH A O 1 HETATM 4820 O O . HOH O 8 . ? -26.537 8.826 0.793 1.00 36.85 ? 533 HOH A O 1 HETATM 4821 O O . HOH O 8 . ? -15.195 35.395 -0.162 1.00 36.89 ? 534 HOH A O 1 HETATM 4822 O O . HOH O 8 . ? -11.723 8.727 -41.555 1.00 30.74 ? 535 HOH A O 1 HETATM 4823 O O . HOH O 8 . ? 1.226 -14.017 -13.203 1.00 48.33 ? 536 HOH A O 1 HETATM 4824 O O . HOH O 8 . ? -33.163 12.851 -31.127 1.00 55.00 ? 537 HOH A O 1 HETATM 4825 O O . HOH O 8 . ? -21.993 -5.511 -38.152 1.00 36.82 ? 538 HOH A O 1 HETATM 4826 O O . HOH O 8 . ? -8.596 -17.504 -18.427 1.00 33.84 ? 539 HOH A O 1 HETATM 4827 O O . HOH O 8 . ? -16.023 3.643 -19.862 1.00 62.00 ? 540 HOH A O 1 HETATM 4828 O O . HOH O 8 . ? -1.103 -16.016 -11.620 1.00 48.67 ? 541 HOH A O 1 HETATM 4829 O O . HOH O 8 . ? -7.527 -27.058 -28.679 1.00 53.73 ? 542 HOH A O 1 HETATM 4830 O O . HOH O 8 . ? -2.366 5.714 -29.316 1.00 52.63 ? 543 HOH A O 1 HETATM 4831 O O . HOH O 8 . ? -6.849 -7.491 -25.221 1.00 41.63 ? 544 HOH A O 1 HETATM 4832 O O . HOH O 8 . ? -24.469 -16.088 -31.379 1.00 39.61 ? 545 HOH A O 1 HETATM 4833 O O . HOH O 8 . ? -34.839 13.415 -13.812 1.00 37.62 ? 546 HOH A O 1 HETATM 4834 O O . HOH O 8 . ? 0.379 10.123 -21.695 1.00 59.77 ? 547 HOH A O 1 HETATM 4835 O O . HOH O 8 . ? -39.789 15.440 -14.709 1.00 46.88 ? 548 HOH A O 1 HETATM 4836 O O . HOH O 8 . ? -33.909 12.330 -26.272 1.00 55.58 ? 549 HOH A O 1 HETATM 4837 O O . HOH O 8 . ? -20.205 -8.851 -27.843 1.00 38.99 ? 550 HOH A O 1 HETATM 4838 O O . HOH O 8 . ? -22.256 1.814 -46.101 1.00 49.52 ? 551 HOH A O 1 HETATM 4839 O O . HOH O 8 . ? -32.610 28.049 -13.332 1.00 49.01 ? 552 HOH A O 1 HETATM 4840 O O . HOH O 8 . ? -10.912 17.159 -33.612 1.00 66.45 ? 553 HOH A O 1 HETATM 4841 O O . HOH O 8 . ? -15.213 0.841 -24.656 1.00 41.57 ? 554 HOH A O 1 HETATM 4842 O O . HOH O 8 . ? -10.408 -16.209 -39.781 1.00 36.94 ? 555 HOH A O 1 HETATM 4843 O O . HOH O 8 . ? -26.674 5.179 -20.256 1.00 41.03 ? 556 HOH A O 1 HETATM 4844 O O . HOH O 8 . ? -29.042 12.749 -33.677 1.00 38.75 ? 557 HOH A O 1 HETATM 4845 O O . HOH O 8 . ? -27.114 13.354 -0.696 1.00 33.78 ? 558 HOH A O 1 HETATM 4846 O O . HOH O 8 . ? -3.001 -3.833 -40.394 1.00 28.23 ? 559 HOH A O 1 HETATM 4847 O O . HOH O 8 . ? -2.287 4.670 -26.794 1.00 34.05 ? 560 HOH A O 1 HETATM 4848 O O . HOH O 8 . ? -30.877 10.818 -6.547 1.00 44.94 ? 561 HOH A O 1 HETATM 4849 O O . HOH O 8 . ? -15.344 -0.289 -28.924 1.00 39.99 ? 562 HOH A O 1 HETATM 4850 O O . HOH O 8 . ? -0.012 -10.084 -18.586 1.00 33.74 ? 563 HOH A O 1 HETATM 4851 O O . HOH O 8 . ? -0.989 3.112 -35.400 1.00 48.51 ? 564 HOH A O 1 HETATM 4852 O O . HOH O 8 . ? 12.828 -17.891 -18.919 1.00 46.21 ? 565 HOH A O 1 HETATM 4853 O O . HOH O 8 . ? -33.334 18.885 -7.813 1.00 50.72 ? 566 HOH A O 1 HETATM 4854 O O . HOH O 8 . ? -23.363 19.434 -38.128 1.00 64.60 ? 567 HOH A O 1 HETATM 4855 O O . HOH O 8 . ? -12.258 5.666 -40.966 1.00 42.69 ? 568 HOH A O 1 HETATM 4856 O O . HOH O 8 . ? -18.570 31.488 -14.620 1.00 32.28 ? 569 HOH A O 1 HETATM 4857 O O . HOH O 8 . ? -38.826 19.919 -16.451 1.00 54.13 ? 570 HOH A O 1 HETATM 4858 O O . HOH O 8 . ? -14.797 4.177 -22.202 1.00 34.11 ? 571 HOH A O 1 HETATM 4859 O O . HOH O 8 . ? -32.246 23.858 -4.441 1.00 50.76 ? 572 HOH A O 1 HETATM 4860 O O . HOH O 8 . ? -12.874 0.047 -27.421 1.00 38.26 ? 573 HOH A O 1 HETATM 4861 O O . HOH O 8 . ? -20.675 -5.198 -32.394 1.00 33.87 ? 574 HOH A O 1 HETATM 4862 O O . HOH O 8 . ? -12.874 33.525 -34.439 1.00 56.36 ? 575 HOH A O 1 HETATM 4863 O O . HOH O 8 . ? -17.299 7.541 -46.126 1.00 45.76 ? 576 HOH A O 1 HETATM 4864 O O . HOH O 8 . ? -20.863 0.182 -37.222 1.00 37.33 ? 577 HOH A O 1 HETATM 4865 O O . HOH O 8 . ? 4.356 -30.299 -16.538 1.00 53.09 ? 578 HOH A O 1 HETATM 4866 O O . HOH O 8 . ? -16.904 10.461 -45.038 1.00 54.29 ? 579 HOH A O 1 HETATM 4867 O O . HOH O 8 . ? 10.459 -18.628 -17.117 1.00 55.27 ? 580 HOH A O 1 HETATM 4868 O O . HOH O 8 . ? -16.683 9.147 -10.378 1.00 47.25 ? 581 HOH A O 1 HETATM 4869 O O . HOH O 8 . ? -4.840 -3.211 -44.821 1.00 39.77 ? 582 HOH A O 1 HETATM 4870 O O . HOH O 8 . ? -18.823 3.124 -44.521 1.00 42.75 ? 583 HOH A O 1 HETATM 4871 O O . HOH O 8 . ? -8.895 4.153 -42.491 1.00 53.10 ? 584 HOH A O 1 HETATM 4872 O O . HOH O 8 . ? -10.733 -18.523 -25.572 1.00 33.70 ? 585 HOH A O 1 HETATM 4873 O O . HOH O 8 . ? 0.387 17.386 -26.620 1.00 46.71 ? 586 HOH A O 1 HETATM 4874 O O . HOH O 8 . ? -12.698 2.790 -23.502 1.00 29.02 ? 587 HOH A O 1 HETATM 4875 O O . HOH O 8 . ? -3.650 17.927 -24.615 1.00 50.88 ? 588 HOH A O 1 HETATM 4876 O O . HOH O 8 . ? 13.224 -14.245 -19.546 1.00 45.46 ? 589 HOH A O 1 HETATM 4877 O O . HOH O 8 . ? -25.563 11.401 -41.048 1.00 78.97 ? 590 HOH A O 1 HETATM 4878 O O . HOH O 8 . ? -30.903 26.185 -28.198 1.00 52.88 ? 591 HOH A O 1 HETATM 4879 O O . HOH O 8 . ? -12.940 -2.578 -25.637 1.00 37.08 ? 592 HOH A O 1 HETATM 4880 O O . HOH O 8 . ? -20.480 30.595 -16.114 1.00 38.77 ? 593 HOH A O 1 HETATM 4881 O O . HOH O 8 . ? -4.865 -9.832 -21.289 1.00 44.36 ? 594 HOH A O 1 HETATM 4882 O O . HOH O 8 . ? 8.099 -28.983 -14.609 1.00 55.12 ? 595 HOH A O 1 HETATM 4883 O O . HOH O 8 . ? 8.395 -16.827 -16.400 1.00 38.57 ? 596 HOH A O 1 HETATM 4884 O O . HOH O 8 . ? -6.220 -5.957 -41.763 1.00 41.01 ? 597 HOH A O 1 HETATM 4885 O O . HOH O 8 . ? -3.869 -4.148 -22.921 1.00 43.73 ? 598 HOH A O 1 HETATM 4886 O O . HOH O 8 . ? -34.534 26.536 -15.663 1.00 43.00 ? 599 HOH A O 1 HETATM 4887 O O . HOH O 8 . ? -4.930 -26.961 -31.125 1.00 58.77 ? 600 HOH A O 1 HETATM 4888 O O . HOH O 8 . ? -30.452 31.398 -4.158 1.00 53.76 ? 601 HOH A O 1 HETATM 4889 O O . HOH O 8 . ? -34.221 24.992 -8.845 1.00 53.23 ? 602 HOH A O 1 HETATM 4890 O O . HOH O 8 . ? -10.761 3.591 -25.239 1.00 80.18 ? 603 HOH A O 1 HETATM 4891 O O . HOH O 8 . ? -35.951 10.856 -22.546 1.00 39.03 ? 604 HOH A O 1 HETATM 4892 O O . HOH O 8 . ? -23.377 16.167 -41.180 1.00 45.26 ? 605 HOH A O 1 HETATM 4893 O O . HOH O 8 . ? -19.563 9.989 -46.223 1.00 55.85 ? 606 HOH A O 1 HETATM 4894 O O . HOH O 8 . ? -21.550 17.976 -40.269 1.00 38.48 ? 607 HOH A O 1 HETATM 4895 O O . HOH O 8 . ? -15.841 2.837 -15.969 1.00 52.03 ? 608 HOH A O 1 HETATM 4896 O O . HOH O 8 . ? 0.998 -19.679 -12.073 1.00 39.31 ? 609 HOH A O 1 HETATM 4897 O O . HOH O 8 . ? -12.188 -7.681 -22.291 1.00 67.57 ? 610 HOH A O 1 HETATM 4898 O O . HOH O 8 . ? -15.465 -9.795 -23.472 1.00 36.61 ? 611 HOH A O 1 HETATM 4899 O O . HOH O 8 . ? -7.485 -8.723 -42.634 1.00 43.91 ? 612 HOH A O 1 HETATM 4900 O O . HOH O 8 . ? -36.155 21.554 -14.259 1.00 36.68 ? 613 HOH A O 1 HETATM 4901 O O . HOH O 8 . ? -14.486 -19.868 -34.874 1.00 57.67 ? 614 HOH A O 1 HETATM 4902 O O . HOH O 8 . ? 5.125 -22.993 -17.886 1.00 43.12 ? 615 HOH A O 1 HETATM 4903 O O . HOH O 8 . ? -20.782 -2.503 -36.180 1.00 40.36 ? 616 HOH A O 1 HETATM 4904 O O . HOH O 8 . ? -22.624 13.307 -1.537 1.00 28.23 ? 617 HOH A O 1 HETATM 4905 O O . HOH O 8 . ? -23.743 24.664 -32.287 1.00 57.37 ? 618 HOH A O 1 HETATM 4906 O O . HOH O 8 . ? -28.270 7.148 -35.416 1.00 48.49 ? 619 HOH A O 1 HETATM 4907 O O . HOH O 8 . ? -21.340 25.924 -32.798 1.00 39.59 ? 620 HOH A O 1 HETATM 4908 O O . HOH O 8 . ? 9.401 -34.445 -24.174 1.00 51.54 ? 621 HOH A O 1 HETATM 4909 O O . HOH O 8 . ? -2.288 -13.567 -19.908 1.00 19.90 ? 622 HOH A O 1 HETATM 4910 O O . HOH O 8 . ? -7.888 -3.290 -23.449 1.00 51.54 ? 623 HOH A O 1 HETATM 4911 O O . HOH O 8 . ? -12.300 34.090 -3.440 1.00 35.71 ? 624 HOH A O 1 HETATM 4912 O O . HOH O 8 . ? -30.344 10.090 -27.980 1.00 39.18 ? 625 HOH A O 1 HETATM 4913 O O . HOH O 8 . ? -3.253 -8.718 -44.525 1.00 35.06 ? 626 HOH A O 1 HETATM 4914 O O . HOH O 8 . ? -32.572 20.867 -27.434 1.00 43.01 ? 627 HOH A O 1 HETATM 4915 O O . HOH O 8 . ? -19.631 -2.228 -28.629 1.00 36.32 ? 628 HOH A O 1 HETATM 4916 O O . HOH O 8 . ? -29.631 8.964 -30.725 1.00 55.76 ? 629 HOH A O 1 HETATM 4917 O O . HOH O 8 . ? -12.634 -7.669 -43.997 1.00 38.65 ? 630 HOH A O 1 HETATM 4918 O O . HOH O 8 . ? -29.993 19.169 -31.642 1.00 30.69 ? 631 HOH A O 1 HETATM 4919 O O . HOH O 8 . ? 6.580 -20.644 -17.574 1.00 31.19 ? 632 HOH A O 1 HETATM 4920 O O . HOH O 8 . ? -21.223 -2.509 -26.215 1.00 55.15 ? 633 HOH A O 1 HETATM 4921 O O . HOH O 8 . ? -10.962 12.439 -43.298 1.00 45.57 ? 634 HOH A O 1 HETATM 4922 O O . HOH O 8 . ? -21.173 28.198 -31.344 1.00 40.45 ? 635 HOH A O 1 HETATM 4923 O O . HOH O 8 . ? -8.470 3.957 -32.727 1.00 41.35 ? 636 HOH A O 1 HETATM 4924 O O . HOH O 8 . ? -17.314 1.818 -18.352 1.00 49.69 ? 637 HOH A O 1 HETATM 4925 O O . HOH O 8 . ? -16.838 -15.954 -38.163 1.00 40.88 ? 638 HOH A O 1 HETATM 4926 O O . HOH O 8 . ? -29.194 22.173 -31.147 1.00 38.49 ? 639 HOH A O 1 HETATM 4927 O O . HOH O 8 . ? -27.797 23.392 -33.730 1.00 47.74 ? 640 HOH A O 1 HETATM 4928 O O . HOH O 8 . ? -19.972 -5.240 -29.714 1.00 46.03 ? 641 HOH A O 1 HETATM 4929 O O . HOH O 8 . ? -16.699 11.200 -7.675 1.00 48.67 ? 642 HOH A O 1 HETATM 4930 O O . HOH O 8 . ? -3.978 21.161 -26.981 1.00 71.21 ? 643 HOH A O 1 HETATM 4931 O O . HOH O 8 . ? -15.657 4.223 -45.432 1.00 44.56 ? 644 HOH A O 1 HETATM 4932 O O . HOH O 8 . ? -12.904 -4.584 -43.683 1.00 55.11 ? 645 HOH A O 1 HETATM 4933 O O . HOH O 8 . ? -13.507 5.858 -45.394 1.00 70.09 ? 646 HOH A O 1 HETATM 4934 O O . HOH O 8 . ? -19.093 6.567 -3.794 1.00 49.83 ? 647 HOH A O 1 HETATM 4935 O O . HOH O 8 . ? -2.741 -28.801 -37.085 1.00 63.76 ? 648 HOH A O 1 HETATM 4936 O O . HOH O 8 . ? -15.958 -23.476 -34.922 1.00 53.65 ? 649 HOH A O 1 HETATM 4937 O O . HOH O 8 . ? -5.563 -12.774 -14.413 1.00 49.90 ? 650 HOH A O 1 HETATM 4938 O O . HOH O 8 . ? -33.038 9.220 -33.551 1.00 54.98 ? 651 HOH A O 1 HETATM 4939 O O . HOH O 8 . ? -8.427 -4.474 -48.461 1.00 57.61 ? 652 HOH A O 1 HETATM 4940 O O . HOH O 8 . ? -14.267 -1.900 -48.907 1.00 56.96 ? 653 HOH A O 1 HETATM 4941 O O . HOH O 8 . ? 7.237 -34.025 -36.741 1.00 50.01 ? 654 HOH A O 1 HETATM 4942 O O . HOH O 8 . ? 22.052 -20.103 -36.780 1.00 69.37 ? 655 HOH A O 1 HETATM 4943 O O . HOH O 8 . ? 9.278 -34.066 -40.348 1.00 51.13 ? 656 HOH A O 1 HETATM 4944 O O . HOH P 8 . ? 9.126 -17.306 -44.806 1.00 31.28 ? 401 HOH B O 1 HETATM 4945 O O . HOH P 8 . ? 6.480 17.934 -15.637 1.00 34.71 ? 402 HOH B O 1 HETATM 4946 O O . HOH P 8 . ? 4.311 -13.509 -38.423 1.00 24.32 ? 403 HOH B O 1 HETATM 4947 O O . HOH P 8 . ? 16.357 4.837 -24.853 1.00 18.81 ? 404 HOH B O 1 HETATM 4948 O O . HOH P 8 . ? 7.299 -18.369 -43.103 1.00 31.47 ? 405 HOH B O 1 HETATM 4949 O O . HOH P 8 . ? 11.128 -1.240 -10.050 1.00 27.60 ? 406 HOH B O 1 HETATM 4950 O O . HOH P 8 . ? 13.012 7.614 -21.936 1.00 42.23 ? 407 HOH B O 1 HETATM 4951 O O . HOH P 8 . ? -11.272 27.718 -28.167 1.00 33.12 ? 408 HOH B O 1 HETATM 4952 O O . HOH P 8 . ? -6.220 38.164 -17.667 1.00 21.46 ? 409 HOH B O 1 HETATM 4953 O O . HOH P 8 . ? 17.883 4.104 -15.134 1.00 24.60 ? 410 HOH B O 1 HETATM 4954 O O . HOH P 8 . ? 5.230 5.681 -18.448 1.00 23.34 ? 411 HOH B O 1 HETATM 4955 O O . HOH P 8 . ? -4.596 9.536 -18.570 1.00 35.65 ? 412 HOH B O 1 HETATM 4956 O O . HOH P 8 . ? -11.369 29.224 -7.446 1.00 24.98 ? 413 HOH B O 1 HETATM 4957 O O . HOH P 8 . ? -4.890 -20.158 -43.618 1.00 32.12 ? 414 HOH B O 1 HETATM 4958 O O . HOH P 8 . ? 5.070 -3.590 -19.705 1.00 15.33 ? 415 HOH B O 1 HETATM 4959 O O . HOH P 8 . ? 6.623 21.838 -21.030 1.00 41.68 ? 416 HOH B O 1 HETATM 4960 O O . HOH P 8 . ? 21.277 -4.106 -40.995 1.00 65.37 ? 417 HOH B O 1 HETATM 4961 O O . HOH P 8 . ? 0.773 25.629 -24.665 1.00 36.90 ? 418 HOH B O 1 HETATM 4962 O O . HOH P 8 . ? 0.544 29.263 -21.780 1.00 20.42 ? 419 HOH B O 1 HETATM 4963 O O . HOH P 8 . ? 1.929 34.273 -18.920 1.00 42.11 ? 420 HOH B O 1 HETATM 4964 O O . HOH P 8 . ? -20.416 27.781 -15.838 1.00 31.12 ? 421 HOH B O 1 HETATM 4965 O O . HOH P 8 . ? 19.122 -7.814 -25.149 1.00 36.47 ? 422 HOH B O 1 HETATM 4966 O O . HOH P 8 . ? 2.655 5.817 -14.561 1.00 23.39 ? 423 HOH B O 1 HETATM 4967 O O . HOH P 8 . ? 18.651 -3.667 -15.338 1.00 27.86 ? 424 HOH B O 1 HETATM 4968 O O . HOH P 8 . ? -1.605 25.371 -8.434 1.00 9.38 ? 425 HOH B O 1 HETATM 4969 O O . HOH P 8 . ? 12.437 -15.984 -33.135 1.00 19.50 ? 426 HOH B O 1 HETATM 4970 O O . HOH P 8 . ? -13.341 32.107 -27.313 1.00 54.35 ? 427 HOH B O 1 HETATM 4971 O O . HOH P 8 . ? -11.599 33.176 -21.992 1.00 53.26 ? 428 HOH B O 1 HETATM 4972 O O . HOH P 8 . ? 23.814 -3.951 -29.362 1.00 57.73 ? 429 HOH B O 1 HETATM 4973 O O . HOH P 8 . ? 11.547 -10.733 -27.263 1.00 17.29 ? 430 HOH B O 1 HETATM 4974 O O . HOH P 8 . ? 1.201 -4.682 -39.718 1.00 16.67 ? 431 HOH B O 1 HETATM 4975 O O . HOH P 8 . ? 3.303 23.366 -4.772 1.00 13.86 ? 432 HOH B O 1 HETATM 4976 O O . HOH P 8 . ? 14.592 -6.106 -52.027 1.00 37.72 ? 433 HOH B O 1 HETATM 4977 O O . HOH P 8 . ? 24.507 3.784 -25.263 1.00 37.41 ? 434 HOH B O 1 HETATM 4978 O O . HOH P 8 . ? 10.926 1.234 -40.191 1.00 26.98 ? 435 HOH B O 1 HETATM 4979 O O . HOH P 8 . ? -5.240 28.006 0.147 1.00 34.14 ? 436 HOH B O 1 HETATM 4980 O O . HOH P 8 . ? 12.900 4.409 -8.238 1.00 20.40 ? 437 HOH B O 1 HETATM 4981 O O . HOH P 8 . ? 7.609 22.576 -5.589 1.00 35.37 ? 438 HOH B O 1 HETATM 4982 O O . HOH P 8 . ? -5.601 2.015 -14.270 1.00 40.05 ? 439 HOH B O 1 HETATM 4983 O O . HOH P 8 . ? -17.968 19.111 -4.526 1.00 23.69 ? 440 HOH B O 1 HETATM 4984 O O . HOH P 8 . ? 7.393 31.835 -10.886 1.00 36.08 ? 441 HOH B O 1 HETATM 4985 O O . HOH P 8 . ? -3.751 8.113 -1.003 1.00 47.30 ? 442 HOH B O 1 HETATM 4986 O O . HOH P 8 . ? 7.548 25.418 -9.376 1.00 35.51 ? 443 HOH B O 1 HETATM 4987 O O . HOH P 8 . ? 8.984 20.351 -12.700 1.00 51.23 ? 444 HOH B O 1 HETATM 4988 O O . HOH P 8 . ? 19.219 -11.631 -42.874 1.00 34.08 ? 445 HOH B O 1 HETATM 4989 O O . HOH P 8 . ? 27.616 -1.631 -29.116 1.00 45.62 ? 446 HOH B O 1 HETATM 4990 O O . HOH P 8 . ? -4.213 34.070 -23.747 1.00 25.92 ? 447 HOH B O 1 HETATM 4991 O O . HOH P 8 . ? 18.073 6.081 -17.880 1.00 44.38 ? 448 HOH B O 1 HETATM 4992 O O . HOH P 8 . ? -10.377 13.651 -5.635 1.00 19.13 ? 449 HOH B O 1 HETATM 4993 O O . HOH P 8 . ? -1.668 5.122 -13.069 1.00 25.74 ? 450 HOH B O 1 HETATM 4994 O O . HOH P 8 . ? -2.949 9.216 -5.309 1.00 12.32 ? 451 HOH B O 1 HETATM 4995 O O . HOH P 8 . ? 0.261 2.536 -32.962 1.00 27.03 ? 452 HOH B O 1 HETATM 4996 O O . HOH P 8 . ? 14.774 7.162 -15.955 1.00 36.85 ? 453 HOH B O 1 HETATM 4997 O O . HOH P 8 . ? -0.288 1.296 -5.804 1.00 49.67 ? 454 HOH B O 1 HETATM 4998 O O . HOH P 8 . ? 6.267 3.335 -40.161 1.00 46.78 ? 455 HOH B O 1 HETATM 4999 O O . HOH P 8 . ? 3.053 -16.021 -54.275 1.00 87.26 ? 456 HOH B O 1 HETATM 5000 O O . HOH P 8 . ? -11.658 28.687 -2.719 1.00 25.21 ? 457 HOH B O 1 HETATM 5001 O O . HOH P 8 . ? 13.839 -9.787 -20.923 1.00 56.06 ? 458 HOH B O 1 HETATM 5002 O O . HOH P 8 . ? 23.407 5.078 -21.974 1.00 38.43 ? 459 HOH B O 1 HETATM 5003 O O . HOH P 8 . ? 2.686 18.377 -20.797 1.00 22.52 ? 460 HOH B O 1 HETATM 5004 O O . HOH P 8 . ? 11.300 4.330 -39.275 1.00 65.02 ? 461 HOH B O 1 HETATM 5005 O O . HOH P 8 . ? -2.375 22.684 -1.442 1.00 18.50 ? 462 HOH B O 1 HETATM 5006 O O . HOH P 8 . ? 1.526 5.129 1.681 1.00 31.16 ? 463 HOH B O 1 HETATM 5007 O O . HOH P 8 . ? 12.993 14.772 -5.939 1.00 45.97 ? 464 HOH B O 1 HETATM 5008 O O . HOH P 8 . ? -4.170 -12.862 -45.340 1.00 41.57 ? 465 HOH B O 1 HETATM 5009 O O . HOH P 8 . ? 9.203 16.949 0.639 1.00 29.42 ? 466 HOH B O 1 HETATM 5010 O O . HOH P 8 . ? 15.151 -7.538 -21.634 1.00 30.85 ? 467 HOH B O 1 HETATM 5011 O O . HOH P 8 . ? -7.553 36.250 -18.899 1.00 101.92 ? 468 HOH B O 1 HETATM 5012 O O . HOH P 8 . ? -1.641 15.829 -24.312 1.00 39.21 ? 469 HOH B O 1 HETATM 5013 O O . HOH P 8 . ? 1.902 1.395 -15.042 1.00 33.52 ? 470 HOH B O 1 HETATM 5014 O O . HOH P 8 . ? 12.062 4.499 -3.442 1.00 27.78 ? 471 HOH B O 1 HETATM 5015 O O . HOH P 8 . ? 3.293 -5.203 -18.400 1.00 28.50 ? 472 HOH B O 1 HETATM 5016 O O . HOH P 8 . ? 0.106 14.147 -22.129 1.00 95.61 ? 473 HOH B O 1 HETATM 5017 O O . HOH P 8 . ? 3.558 1.975 -36.991 1.00 83.33 ? 474 HOH B O 1 HETATM 5018 O O . HOH P 8 . ? 0.520 3.946 -2.084 1.00 25.19 ? 475 HOH B O 1 HETATM 5019 O O . HOH P 8 . ? -10.184 12.893 -3.044 1.00 32.87 ? 476 HOH B O 1 HETATM 5020 O O . HOH P 8 . ? 20.722 3.608 -34.197 1.00 59.53 ? 477 HOH B O 1 HETATM 5021 O O . HOH P 8 . ? -1.717 33.539 -9.146 1.00 29.27 ? 478 HOH B O 1 HETATM 5022 O O . HOH P 8 . ? 16.517 1.523 -34.849 1.00 23.84 ? 479 HOH B O 1 HETATM 5023 O O . HOH P 8 . ? -5.489 -19.555 -39.390 1.00 49.86 ? 480 HOH B O 1 HETATM 5024 O O . HOH P 8 . ? 3.569 21.875 -22.831 1.00 57.70 ? 481 HOH B O 1 HETATM 5025 O O . HOH P 8 . ? 5.291 25.193 -18.307 1.00 54.31 ? 482 HOH B O 1 HETATM 5026 O O . HOH P 8 . ? 22.124 4.661 -28.129 1.00 30.91 ? 483 HOH B O 1 HETATM 5027 O O . HOH P 8 . ? 2.871 -8.194 -16.498 1.00 54.20 ? 484 HOH B O 1 HETATM 5028 O O . HOH P 8 . ? 0.133 25.898 -0.916 1.00 23.31 ? 485 HOH B O 1 HETATM 5029 O O . HOH P 8 . ? -5.620 16.491 3.498 1.00 27.28 ? 486 HOH B O 1 HETATM 5030 O O . HOH P 8 . ? -9.782 22.838 0.874 1.00 37.95 ? 487 HOH B O 1 HETATM 5031 O O . HOH P 8 . ? 5.439 35.579 -10.177 1.00 53.50 ? 488 HOH B O 1 HETATM 5032 O O . HOH P 8 . ? 17.406 -6.881 -20.268 1.00 49.98 ? 489 HOH B O 1 HETATM 5033 O O . HOH P 8 . ? 2.579 -4.976 -33.636 1.00 13.97 ? 490 HOH B O 1 HETATM 5034 O O . HOH P 8 . ? -4.351 24.723 -22.767 1.00 16.66 ? 491 HOH B O 1 HETATM 5035 O O . HOH P 8 . ? -6.505 37.346 -25.302 1.00 44.33 ? 492 HOH B O 1 HETATM 5036 O O . HOH P 8 . ? -13.095 26.428 0.028 1.00 33.64 ? 493 HOH B O 1 HETATM 5037 O O . HOH P 8 . ? -6.482 30.571 -3.668 1.00 25.28 ? 494 HOH B O 1 HETATM 5038 O O . HOH P 8 . ? -7.623 -15.182 -48.173 1.00 43.35 ? 495 HOH B O 1 HETATM 5039 O O . HOH P 8 . ? -0.089 1.255 -23.586 1.00 28.97 ? 496 HOH B O 1 HETATM 5040 O O . HOH P 8 . ? -0.953 13.880 6.618 1.00 23.41 ? 497 HOH B O 1 HETATM 5041 O O . HOH P 8 . ? 11.237 12.467 -18.110 1.00 54.10 ? 498 HOH B O 1 HETATM 5042 O O . HOH P 8 . ? 0.882 -1.563 -16.205 1.00 36.98 ? 499 HOH B O 1 HETATM 5043 O O . HOH P 8 . ? -10.347 35.134 -17.530 1.00 19.11 ? 500 HOH B O 1 HETATM 5044 O O . HOH P 8 . ? -4.577 6.963 -5.421 1.00 21.17 ? 501 HOH B O 1 HETATM 5045 O O . HOH P 8 . ? -17.172 16.226 -2.408 1.00 28.52 ? 502 HOH B O 1 HETATM 5046 O O . HOH P 8 . ? 7.520 -4.782 -19.846 1.00 14.12 ? 503 HOH B O 1 HETATM 5047 O O . HOH P 8 . ? -14.054 12.385 -10.625 1.00 20.20 ? 504 HOH B O 1 HETATM 5048 O O . HOH P 8 . ? 19.252 -16.089 -48.718 1.00 35.12 ? 505 HOH B O 1 HETATM 5049 O O . HOH P 8 . ? 20.607 0.813 -47.907 1.00 47.22 ? 506 HOH B O 1 HETATM 5050 O O . HOH P 8 . ? -0.400 12.873 -19.040 1.00 47.00 ? 507 HOH B O 1 HETATM 5051 O O . HOH P 8 . ? 2.888 3.457 -18.259 1.00 28.13 ? 508 HOH B O 1 HETATM 5052 O O . HOH P 8 . ? 6.232 0.356 -23.946 1.00 17.67 ? 509 HOH B O 1 HETATM 5053 O O . HOH P 8 . ? 17.653 4.887 -42.859 1.00 68.18 ? 510 HOH B O 1 HETATM 5054 O O . HOH P 8 . ? 9.861 9.389 -21.895 1.00 36.84 ? 511 HOH B O 1 HETATM 5055 O O . HOH P 8 . ? -0.604 3.974 -9.402 1.00 27.39 ? 512 HOH B O 1 HETATM 5056 O O . HOH P 8 . ? -9.683 19.701 1.986 1.00 40.91 ? 513 HOH B O 1 HETATM 5057 O O . HOH P 8 . ? 6.032 21.946 1.340 1.00 61.33 ? 514 HOH B O 1 HETATM 5058 O O . HOH P 8 . ? 22.868 7.664 -19.314 1.00 39.28 ? 515 HOH B O 1 HETATM 5059 O O . HOH P 8 . ? 13.678 -6.514 -13.847 1.00 44.78 ? 516 HOH B O 1 HETATM 5060 O O . HOH P 8 . ? -10.069 30.945 -22.260 1.00 24.16 ? 517 HOH B O 1 HETATM 5061 O O . HOH P 8 . ? 8.632 14.585 -21.472 1.00 33.14 ? 518 HOH B O 1 HETATM 5062 O O . HOH P 8 . ? 0.202 22.289 -21.920 1.00 16.29 ? 519 HOH B O 1 HETATM 5063 O O . HOH P 8 . ? 1.925 -14.892 -39.251 1.00 17.59 ? 520 HOH B O 1 HETATM 5064 O O . HOH P 8 . ? 20.540 -2.657 -25.976 1.00 22.56 ? 521 HOH B O 1 HETATM 5065 O O . HOH P 8 . ? -11.567 5.366 -7.824 1.00 33.27 ? 522 HOH B O 1 HETATM 5066 O O . HOH P 8 . ? 9.355 -17.740 -49.908 1.00 44.17 ? 523 HOH B O 1 HETATM 5067 O O . HOH P 8 . ? -2.936 3.091 -8.400 1.00 28.53 ? 524 HOH B O 1 HETATM 5068 O O . HOH P 8 . ? 16.703 -9.966 -52.099 1.00 54.10 ? 525 HOH B O 1 HETATM 5069 O O . HOH P 8 . ? -1.635 -14.460 -53.061 1.00 43.92 ? 526 HOH B O 1 HETATM 5070 O O . HOH P 8 . ? 1.470 4.221 -46.911 1.00 58.26 ? 527 HOH B O 1 HETATM 5071 O O . HOH P 8 . ? 4.238 28.141 -8.945 1.00 19.79 ? 528 HOH B O 1 HETATM 5072 O O . HOH P 8 . ? -3.698 20.947 -23.665 1.00 35.09 ? 529 HOH B O 1 HETATM 5073 O O . HOH P 8 . ? 8.820 3.445 -30.361 1.00 29.19 ? 530 HOH B O 1 HETATM 5074 O O . HOH P 8 . ? 14.475 -6.506 -18.035 1.00 24.83 ? 531 HOH B O 1 HETATM 5075 O O . HOH P 8 . ? -12.136 8.424 -11.119 1.00 27.19 ? 532 HOH B O 1 HETATM 5076 O O . HOH P 8 . ? -8.449 8.462 -12.098 1.00 13.57 ? 533 HOH B O 1 HETATM 5077 O O . HOH P 8 . ? -6.636 1.958 -11.761 1.00 49.84 ? 534 HOH B O 1 HETATM 5078 O O . HOH P 8 . ? -9.095 1.170 -14.854 1.00 52.70 ? 535 HOH B O 1 HETATM 5079 O O . HOH P 8 . ? 4.427 34.473 -13.364 1.00 32.83 ? 536 HOH B O 1 HETATM 5080 O O . HOH P 8 . ? 1.491 -4.041 -15.312 1.00 28.96 ? 537 HOH B O 1 HETATM 5081 O O . HOH P 8 . ? 5.040 27.657 -14.814 1.00 46.23 ? 538 HOH B O 1 HETATM 5082 O O . HOH P 8 . ? -1.130 -23.544 -43.869 1.00 36.64 ? 539 HOH B O 1 HETATM 5083 O O . HOH P 8 . ? -2.868 33.986 -12.723 1.00 13.28 ? 540 HOH B O 1 HETATM 5084 O O . HOH P 8 . ? 0.131 -3.499 -44.175 1.00 32.57 ? 541 HOH B O 1 HETATM 5085 O O . HOH P 8 . ? 10.204 17.362 -9.645 1.00 17.89 ? 542 HOH B O 1 HETATM 5086 O O . HOH P 8 . ? 5.178 -14.139 -55.399 1.00 36.16 ? 543 HOH B O 1 HETATM 5087 O O . HOH P 8 . ? 20.898 2.071 -14.894 1.00 21.03 ? 544 HOH B O 1 HETATM 5088 O O . HOH P 8 . ? -7.266 8.946 -9.757 1.00 19.18 ? 545 HOH B O 1 HETATM 5089 O O . HOH P 8 . ? -8.424 17.184 1.902 1.00 27.38 ? 546 HOH B O 1 HETATM 5090 O O . HOH P 8 . ? 9.899 3.072 -33.496 1.00 18.89 ? 547 HOH B O 1 HETATM 5091 O O . HOH P 8 . ? -3.316 13.425 4.597 1.00 19.10 ? 548 HOH B O 1 HETATM 5092 O O . HOH P 8 . ? 11.595 14.017 -12.458 1.00 52.16 ? 549 HOH B O 1 HETATM 5093 O O . HOH P 8 . ? 7.826 2.334 -24.987 1.00 24.23 ? 550 HOH B O 1 HETATM 5094 O O . HOH P 8 . ? 12.175 12.779 -15.563 1.00 23.79 ? 551 HOH B O 1 HETATM 5095 O O . HOH P 8 . ? 11.171 5.650 -18.993 1.00 20.87 ? 552 HOH B O 1 HETATM 5096 O O . HOH P 8 . ? 1.674 12.174 -20.612 1.00 31.48 ? 553 HOH B O 1 HETATM 5097 O O . HOH P 8 . ? 1.436 1.938 -35.369 1.00 40.04 ? 554 HOH B O 1 HETATM 5098 O O . HOH P 8 . ? 10.497 14.069 -0.086 1.00 30.04 ? 555 HOH B O 1 HETATM 5099 O O . HOH P 8 . ? -3.022 8.714 1.540 1.00 34.36 ? 556 HOH B O 1 HETATM 5100 O O . HOH P 8 . ? -0.138 0.822 -28.309 1.00 22.02 ? 557 HOH B O 1 HETATM 5101 O O . HOH P 8 . ? -3.920 25.829 1.135 1.00 43.83 ? 558 HOH B O 1 HETATM 5102 O O . HOH P 8 . ? -13.540 13.443 -3.361 1.00 37.99 ? 559 HOH B O 1 HETATM 5103 O O . HOH P 8 . ? -13.606 6.220 -13.058 1.00 34.94 ? 560 HOH B O 1 HETATM 5104 O O . HOH P 8 . ? 1.253 19.332 3.412 1.00 42.06 ? 561 HOH B O 1 HETATM 5105 O O . HOH P 8 . ? 20.468 -7.059 -41.162 1.00 68.37 ? 562 HOH B O 1 HETATM 5106 O O . HOH P 8 . ? -6.753 10.122 -5.491 1.00 28.71 ? 563 HOH B O 1 HETATM 5107 O O . HOH P 8 . ? 8.132 16.068 2.968 1.00 31.61 ? 564 HOH B O 1 HETATM 5108 O O . HOH P 8 . ? 20.502 -10.121 -28.754 1.00 50.90 ? 565 HOH B O 1 HETATM 5109 O O . HOH P 8 . ? 3.955 3.192 -22.655 1.00 21.83 ? 566 HOH B O 1 HETATM 5110 O O . HOH P 8 . ? 20.923 1.348 -29.742 1.00 27.89 ? 567 HOH B O 1 HETATM 5111 O O . HOH P 8 . ? 22.460 -7.234 -32.414 1.00 27.80 ? 568 HOH B O 1 HETATM 5112 O O . HOH P 8 . ? 5.807 4.349 -34.259 1.00 32.24 ? 569 HOH B O 1 HETATM 5113 O O . HOH P 8 . ? 26.853 -0.825 -26.721 1.00 30.87 ? 570 HOH B O 1 HETATM 5114 O O . HOH P 8 . ? 10.861 -11.749 -24.706 1.00 21.50 ? 571 HOH B O 1 HETATM 5115 O O . HOH P 8 . ? 8.757 -11.383 -21.171 1.00 36.31 ? 572 HOH B O 1 HETATM 5116 O O . HOH P 8 . ? -10.284 25.379 -25.096 1.00 42.05 ? 573 HOH B O 1 HETATM 5117 O O . HOH P 8 . ? 9.455 20.581 -18.058 1.00 41.94 ? 574 HOH B O 1 HETATM 5118 O O . HOH P 8 . ? 22.451 2.131 -20.131 1.00 37.11 ? 575 HOH B O 1 HETATM 5119 O O . HOH P 8 . ? 15.031 9.439 -25.484 1.00 41.70 ? 576 HOH B O 1 HETATM 5120 O O . HOH P 8 . ? -1.461 -8.561 -46.549 1.00 29.61 ? 577 HOH B O 1 HETATM 5121 O O . HOH P 8 . ? 26.102 2.353 -34.043 1.00 45.71 ? 578 HOH B O 1 HETATM 5122 O O . HOH P 8 . ? 13.115 14.102 -3.182 1.00 25.25 ? 579 HOH B O 1 HETATM 5123 O O . HOH P 8 . ? 3.553 2.749 -40.564 1.00 47.95 ? 580 HOH B O 1 HETATM 5124 O O . HOH P 8 . ? -7.440 6.898 -7.672 1.00 37.81 ? 581 HOH B O 1 HETATM 5125 O O . HOH P 8 . ? -11.420 16.253 3.320 1.00 33.09 ? 582 HOH B O 1 HETATM 5126 O O . HOH P 8 . ? 14.761 -14.089 -27.684 1.00 43.04 ? 583 HOH B O 1 HETATM 5127 O O . HOH P 8 . ? -1.703 37.334 -9.717 1.00 48.77 ? 584 HOH B O 1 HETATM 5128 O O . HOH P 8 . ? 12.873 7.728 -18.471 1.00 32.27 ? 585 HOH B O 1 HETATM 5129 O O . HOH P 8 . ? -6.814 11.565 2.650 1.00 37.37 ? 586 HOH B O 1 HETATM 5130 O O . HOH P 8 . ? 17.894 -6.428 -44.221 1.00 22.61 ? 587 HOH B O 1 HETATM 5131 O O . HOH P 8 . ? -8.034 27.552 -24.784 1.00 43.22 ? 588 HOH B O 1 HETATM 5132 O O . HOH P 8 . ? 17.977 -9.641 -27.767 1.00 18.68 ? 589 HOH B O 1 HETATM 5133 O O . HOH P 8 . ? -1.750 24.245 -24.305 1.00 35.64 ? 590 HOH B O 1 HETATM 5134 O O . HOH P 8 . ? 0.611 35.408 -7.186 1.00 40.89 ? 591 HOH B O 1 HETATM 5135 O O . HOH P 8 . ? 2.572 -5.412 -49.610 1.00 24.04 ? 592 HOH B O 1 HETATM 5136 O O . HOH P 8 . ? 17.580 -16.875 -41.817 1.00 44.15 ? 593 HOH B O 1 HETATM 5137 O O . HOH P 8 . ? 14.537 -14.048 -32.864 1.00 17.47 ? 594 HOH B O 1 HETATM 5138 O O . HOH P 8 . ? 10.484 3.498 -47.308 1.00 78.11 ? 595 HOH B O 1 HETATM 5139 O O . HOH P 8 . ? -0.350 -2.268 -21.367 1.00 18.23 ? 596 HOH B O 1 HETATM 5140 O O . HOH P 8 . ? 3.594 5.026 -20.718 1.00 29.45 ? 597 HOH B O 1 HETATM 5141 O O . HOH P 8 . ? -6.182 22.783 1.544 1.00 21.30 ? 598 HOH B O 1 HETATM 5142 O O . HOH P 8 . ? 7.962 2.609 -47.045 1.00 30.92 ? 599 HOH B O 1 HETATM 5143 O O . HOH P 8 . ? -4.950 19.622 5.379 1.00 40.87 ? 600 HOH B O 1 HETATM 5144 O O . HOH P 8 . ? 0.793 29.653 -3.278 1.00 19.98 ? 601 HOH B O 1 HETATM 5145 O O . HOH P 8 . ? 6.723 26.283 -16.348 1.00 45.49 ? 602 HOH B O 1 HETATM 5146 O O . HOH P 8 . ? 11.400 17.790 -15.727 1.00 39.30 ? 603 HOH B O 1 HETATM 5147 O O . HOH P 8 . ? 9.196 1.310 -38.131 1.00 39.35 ? 604 HOH B O 1 HETATM 5148 O O . HOH P 8 . ? 13.990 11.639 -24.030 1.00 43.00 ? 605 HOH B O 1 HETATM 5149 O O . HOH P 8 . ? 21.968 -1.591 -15.699 1.00 47.75 ? 606 HOH B O 1 HETATM 5150 O O . HOH P 8 . ? -12.236 5.839 -10.357 1.00 37.40 ? 607 HOH B O 1 HETATM 5151 O O . HOH P 8 . ? 11.330 6.471 -31.902 1.00 36.11 ? 608 HOH B O 1 HETATM 5152 O O . HOH P 8 . ? -3.184 -11.148 -43.415 1.00 30.11 ? 609 HOH B O 1 HETATM 5153 O O . HOH P 8 . ? 8.104 3.479 -36.162 1.00 64.15 ? 610 HOH B O 1 HETATM 5154 O O . HOH P 8 . ? 4.211 4.085 -0.960 1.00 24.13 ? 611 HOH B O 1 HETATM 5155 O O . HOH P 8 . ? -1.859 12.535 -21.285 1.00 47.70 ? 612 HOH B O 1 HETATM 5156 O O . HOH P 8 . ? 20.171 -5.292 -19.436 1.00 39.30 ? 613 HOH B O 1 HETATM 5157 O O . HOH P 8 . ? -13.950 20.381 -0.738 1.00 22.28 ? 614 HOH B O 1 HETATM 5158 O O . HOH P 8 . ? 12.604 -3.262 -10.953 1.00 32.11 ? 615 HOH B O 1 HETATM 5159 O O . HOH P 8 . ? 1.573 -3.223 -18.227 1.00 36.63 ? 616 HOH B O 1 HETATM 5160 O O . HOH P 8 . ? 16.042 -1.600 -10.737 1.00 21.65 ? 617 HOH B O 1 HETATM 5161 O O . HOH P 8 . ? 9.843 5.951 -27.870 1.00 40.38 ? 618 HOH B O 1 HETATM 5162 O O . HOH P 8 . ? 19.381 -12.571 -35.952 1.00 30.79 ? 619 HOH B O 1 HETATM 5163 O O . HOH P 8 . ? 20.582 -13.545 -38.490 1.00 37.63 ? 620 HOH B O 1 HETATM 5164 O O . HOH P 8 . ? 12.975 -18.589 -54.583 1.00 53.83 ? 621 HOH B O 1 HETATM 5165 O O . HOH P 8 . ? 0.791 22.666 2.478 1.00 29.92 ? 622 HOH B O 1 HETATM 5166 O O . HOH P 8 . ? 20.771 -7.650 -45.509 1.00 47.24 ? 623 HOH B O 1 HETATM 5167 O O . HOH P 8 . ? -3.397 -11.219 -50.993 1.00 54.71 ? 624 HOH B O 1 HETATM 5168 O O . HOH P 8 . ? -4.837 -11.622 -47.630 1.00 44.06 ? 625 HOH B O 1 HETATM 5169 O O . HOH P 8 . ? 29.162 -1.262 -31.308 1.00 47.48 ? 626 HOH B O 1 HETATM 5170 O O . HOH P 8 . ? 4.522 5.422 -43.551 1.00 55.09 ? 627 HOH B O 1 HETATM 5171 O O . HOH P 8 . ? 4.883 28.637 -6.304 1.00 38.65 ? 628 HOH B O 1 HETATM 5172 O O . HOH P 8 . ? 11.029 18.428 -6.867 1.00 43.57 ? 629 HOH B O 1 HETATM 5173 O O . HOH P 8 . ? -0.061 38.678 -14.859 1.00 29.70 ? 630 HOH B O 1 HETATM 5174 O O . HOH P 8 . ? 17.708 2.885 -46.584 1.00 36.69 ? 631 HOH B O 1 HETATM 5175 O O . HOH P 8 . ? 11.566 13.235 -8.181 1.00 50.30 ? 632 HOH B O 1 HETATM 5176 O O . HOH P 8 . ? -0.467 -12.002 -52.332 1.00 41.75 ? 633 HOH B O 1 HETATM 5177 O O . HOH P 8 . ? -1.328 0.635 -16.346 1.00 54.31 ? 634 HOH B O 1 HETATM 5178 O O . HOH P 8 . ? 5.594 27.018 -12.261 1.00 47.05 ? 635 HOH B O 1 HETATM 5179 O O . HOH P 8 . ? 4.579 -21.405 -39.047 1.00 32.98 ? 636 HOH B O 1 HETATM 5180 O O . HOH P 8 . ? 0.075 3.710 -17.645 1.00 42.55 ? 637 HOH B O 1 HETATM 5181 O O . HOH P 8 . ? 17.370 -12.654 -27.962 1.00 48.38 ? 638 HOH B O 1 HETATM 5182 O O . HOH P 8 . ? 10.308 21.308 -4.637 1.00 46.26 ? 639 HOH B O 1 HETATM 5183 O O . HOH P 8 . ? 15.389 1.405 -52.365 1.00 45.10 ? 640 HOH B O 1 HETATM 5184 O O . HOH P 8 . ? 6.058 19.872 3.031 1.00 33.37 ? 641 HOH B O 1 HETATM 5185 O O . HOH P 8 . ? -0.282 38.146 -17.689 1.00 40.49 ? 642 HOH B O 1 HETATM 5186 O O . HOH P 8 . ? 3.251 36.737 -14.335 1.00 56.84 ? 643 HOH B O 1 HETATM 5187 O O . HOH P 8 . ? 6.598 23.647 -0.636 1.00 76.65 ? 644 HOH B O 1 HETATM 5188 O O . HOH P 8 . ? 8.042 19.697 -21.964 1.00 85.78 ? 645 HOH B O 1 HETATM 5189 O O . HOH P 8 . ? -12.469 2.846 -13.626 1.00 62.25 ? 646 HOH B O 1 HETATM 5190 O O . HOH P 8 . ? 5.922 -1.344 -52.198 1.00 50.37 ? 647 HOH B O 1 HETATM 5191 O O . HOH P 8 . ? 1.348 37.926 -12.835 1.00 39.62 ? 648 HOH B O 1 HETATM 5192 O O . HOH P 8 . ? 12.555 -11.774 -22.307 1.00 37.21 ? 649 HOH B O 1 HETATM 5193 O O . HOH P 8 . ? -3.159 -9.565 -48.642 1.00 40.45 ? 650 HOH B O 1 HETATM 5194 O O . HOH P 8 . ? 18.446 1.215 -49.546 1.00 60.96 ? 651 HOH B O 1 HETATM 5195 O O . HOH P 8 . ? 28.718 -4.128 -31.683 1.00 67.50 ? 652 HOH B O 1 HETATM 5196 O O . HOH P 8 . ? 19.858 -13.666 -41.206 1.00 46.82 ? 653 HOH B O 1 HETATM 5197 O O . HOH P 8 . ? 11.548 -18.043 -43.825 1.00 39.50 ? 654 HOH B O 1 HETATM 5198 O O . HOH P 8 . ? -12.758 19.391 1.547 1.00 70.55 ? 655 HOH B O 1 HETATM 5199 O O . HOH P 8 . ? 23.114 -16.256 -45.349 1.00 57.03 ? 656 HOH B O 1 HETATM 5200 O O . HOH P 8 . ? 22.072 3.010 -31.775 1.00 72.98 ? 657 HOH B O 1 HETATM 5201 O O . HOH P 8 . ? 15.535 -14.595 -30.255 1.00 74.17 ? 658 HOH B O 1 HETATM 5202 O O . HOH P 8 . ? -8.831 26.447 -27.155 1.00 163.53 ? 659 HOH B O 1 HETATM 5203 O O . HOH P 8 . ? 4.255 -10.442 -57.612 1.00 64.58 ? 660 HOH B O 1 HETATM 5204 O O . HOH P 8 . ? 10.435 1.150 -49.167 1.00 48.22 ? 661 HOH B O 1 HETATM 5205 O O . HOH P 8 . ? -4.602 -24.655 -36.317 1.00 52.26 ? 662 HOH B O 1 HETATM 5206 O O . HOH P 8 . ? 6.262 18.299 -23.473 1.00 40.34 ? 663 HOH B O 1 HETATM 5207 O O . HOH P 8 . ? 14.601 11.060 -16.952 1.00 48.93 ? 664 HOH B O 1 HETATM 5208 O O . HOH P 8 . ? -9.282 35.615 -23.299 1.00 55.44 ? 665 HOH B O 1 HETATM 5209 O O . HOH P 8 . ? 4.874 24.006 -2.709 1.00 32.62 ? 666 HOH B O 1 HETATM 5210 O O . HOH P 8 . ? 8.277 16.567 -23.270 1.00 38.31 ? 667 HOH B O 1 HETATM 5211 O O . HOH P 8 . ? 21.488 -8.943 -39.462 1.00 47.18 ? 668 HOH B O 1 HETATM 5212 O O . HOH P 8 . ? 17.025 5.919 -27.973 1.00 41.32 ? 669 HOH B O 1 HETATM 5213 O O . HOH P 8 . ? 19.845 5.948 -28.195 1.00 27.78 ? 670 HOH B O 1 HETATM 5214 O O . HOH P 8 . ? 11.105 19.176 -11.489 1.00 48.66 ? 671 HOH B O 1 HETATM 5215 O O . HOH P 8 . ? 3.426 4.128 -35.329 1.00 32.96 ? 672 HOH B O 1 HETATM 5216 O O . HOH P 8 . ? -16.311 6.051 -12.768 1.00 54.43 ? 673 HOH B O 1 HETATM 5217 O O . HOH P 8 . ? -7.060 -19.049 -46.201 1.00 42.05 ? 674 HOH B O 1 HETATM 5218 O O . HOH P 8 . ? 24.446 5.653 -27.124 1.00 33.74 ? 675 HOH B O 1 HETATM 5219 O O . HOH P 8 . ? 2.819 30.548 -21.439 1.00 40.18 ? 676 HOH B O 1 HETATM 5220 O O . HOH P 8 . ? -11.270 5.796 -20.166 1.00 29.45 ? 677 HOH B O 1 HETATM 5221 O O . HOH P 8 . ? 1.435 -24.210 -36.672 1.00 36.28 ? 678 HOH B O 1 HETATM 5222 O O . HOH P 8 . ? 25.359 4.953 -34.505 1.00 48.44 ? 679 HOH B O 1 HETATM 5223 O O . HOH P 8 . ? 22.672 -15.395 -42.239 1.00 48.14 ? 680 HOH B O 1 HETATM 5224 O O . HOH P 8 . ? 9.355 19.541 -15.400 1.00 48.86 ? 681 HOH B O 1 HETATM 5225 O O . HOH P 8 . ? -9.098 26.762 3.082 1.00 67.56 ? 682 HOH B O 1 HETATM 5226 O O . HOH P 8 . ? 10.088 -12.747 -19.256 1.00 40.81 ? 683 HOH B O 1 HETATM 5227 O O . HOH P 8 . ? 16.030 7.341 -23.267 1.00 33.95 ? 684 HOH B O 1 HETATM 5228 O O . HOH P 8 . ? 16.977 -14.392 -34.850 1.00 37.72 ? 685 HOH B O 1 HETATM 5229 O O . HOH P 8 . ? -0.090 5.730 -15.187 1.00 24.87 ? 686 HOH B O 1 HETATM 5230 O O . HOH P 8 . ? -1.102 2.495 -30.156 1.00 38.08 ? 687 HOH B O 1 HETATM 5231 O O . HOH P 8 . ? 3.450 19.162 -23.190 1.00 28.86 ? 688 HOH B O 1 HETATM 5232 O O . HOH P 8 . ? 22.619 -4.315 -25.426 1.00 54.11 ? 689 HOH B O 1 HETATM 5233 O O . HOH P 8 . ? -10.941 9.866 -3.557 1.00 42.26 ? 690 HOH B O 1 HETATM 5234 O O . HOH P 8 . ? 29.116 -1.909 -34.003 1.00 34.36 ? 691 HOH B O 1 HETATM 5235 O O . HOH P 8 . ? 9.061 23.248 -10.071 1.00 34.34 ? 692 HOH B O 1 HETATM 5236 O O . HOH P 8 . ? -12.809 14.073 4.489 1.00 51.36 ? 693 HOH B O 1 HETATM 5237 O O . HOH P 8 . ? 8.143 5.594 -39.210 1.00 52.85 ? 694 HOH B O 1 HETATM 5238 O O . HOH P 8 . ? -4.856 10.474 -3.682 1.00 22.22 ? 695 HOH B O 1 HETATM 5239 O O . HOH P 8 . ? 15.407 0.201 -8.847 1.00 36.15 ? 696 HOH B O 1 HETATM 5240 O O . HOH P 8 . ? 0.532 -6.768 -13.705 1.00 66.94 ? 697 HOH B O 1 HETATM 5241 O O . HOH P 8 . ? -6.519 24.583 -24.584 1.00 30.13 ? 698 HOH B O 1 HETATM 5242 O O . HOH P 8 . ? 8.225 27.291 -7.559 1.00 52.85 ? 699 HOH B O 1 HETATM 5243 O O . HOH P 8 . ? -3.431 -13.412 -55.650 1.00 41.77 ? 700 HOH B O 1 HETATM 5244 O O . HOH P 8 . ? -7.638 -13.063 -44.467 1.00 44.82 ? 701 HOH B O 1 HETATM 5245 O O . HOH P 8 . ? -6.313 8.954 -1.254 1.00 48.80 ? 702 HOH B O 1 HETATM 5246 O O . HOH P 8 . ? -8.800 32.382 -3.952 1.00 46.27 ? 703 HOH B O 1 HETATM 5247 O O . HOH P 8 . ? 19.400 -4.786 -12.761 1.00 43.18 ? 704 HOH B O 1 HETATM 5248 O O . HOH P 8 . ? 27.029 -6.137 -30.884 1.00 62.26 ? 705 HOH B O 1 HETATM 5249 O O . HOH P 8 . ? -13.671 0.388 -15.265 1.00 46.41 ? 706 HOH B O 1 HETATM 5250 O O . HOH P 8 . ? -12.930 13.085 -6.328 1.00 19.56 ? 707 HOH B O 1 HETATM 5251 O O . HOH P 8 . ? 6.949 29.349 -9.829 1.00 42.63 ? 708 HOH B O 1 HETATM 5252 O O . HOH P 8 . ? -14.047 9.794 -9.800 1.00 30.85 ? 709 HOH B O 1 HETATM 5253 O O . HOH P 8 . ? 2.907 25.774 -0.747 1.00 33.96 ? 710 HOH B O 1 HETATM 5254 O O . HOH P 8 . ? 4.774 4.153 -38.036 1.00 87.22 ? 711 HOH B O 1 HETATM 5255 O O . HOH P 8 . ? -13.852 10.360 -7.135 1.00 34.62 ? 712 HOH B O 1 HETATM 5256 O O . HOH P 8 . ? -1.732 21.698 -25.324 1.00 53.14 ? 713 HOH B O 1 HETATM 5257 O O . HOH P 8 . ? -9.805 -0.182 -17.646 1.00 52.16 ? 714 HOH B O 1 HETATM 5258 O O . HOH P 8 . ? -7.260 19.393 3.424 1.00 45.37 ? 715 HOH B O 1 HETATM 5259 O O . HOH P 8 . ? 17.118 -6.776 -17.411 1.00 46.07 ? 716 HOH B O 1 HETATM 5260 O O . HOH P 8 . ? 8.971 27.412 -14.566 1.00 52.20 ? 717 HOH B O 1 HETATM 5261 O O . HOH P 8 . ? 6.106 27.547 -20.406 1.00 36.04 ? 718 HOH B O 1 HETATM 5262 O O . HOH P 8 . ? -2.181 -4.847 -44.681 1.00 48.14 ? 719 HOH B O 1 HETATM 5263 O O . HOH P 8 . ? 23.102 -0.238 -19.059 1.00 43.93 ? 720 HOH B O 1 HETATM 5264 O O . HOH P 8 . ? -10.670 3.711 -21.735 1.00 31.60 ? 721 HOH B O 1 HETATM 5265 O O . HOH P 8 . ? 21.568 -6.817 -25.548 1.00 35.45 ? 722 HOH B O 1 HETATM 5266 O O . HOH P 8 . ? 10.926 -1.024 -51.611 1.00 82.46 ? 723 HOH B O 1 HETATM 5267 O O . HOH P 8 . ? -0.380 2.873 -15.091 1.00 68.13 ? 724 HOH B O 1 HETATM 5268 O O . HOH P 8 . ? 1.547 22.418 -24.544 1.00 46.09 ? 725 HOH B O 1 HETATM 5269 O O . HOH P 8 . ? 5.120 23.297 -24.690 1.00 43.90 ? 726 HOH B O 1 HETATM 5270 O O . HOH P 8 . ? 8.369 -2.193 -56.265 1.00 57.62 ? 727 HOH B O 1 HETATM 5271 O O . HOH P 8 . ? 14.467 17.335 -3.913 1.00 56.69 ? 728 HOH B O 1 HETATM 5272 O O . HOH P 8 . ? 0.345 -9.043 -16.050 1.00 53.32 ? 729 HOH B O 1 HETATM 5273 O O . HOH P 8 . ? 22.095 -5.733 -15.958 1.00 68.73 ? 730 HOH B O 1 HETATM 5274 O O . HOH P 8 . ? 3.289 -28.355 -42.973 1.00 60.80 ? 731 HOH B O 1 HETATM 5275 O O . HOH P 8 . ? -1.175 -6.774 -16.909 1.00 56.72 ? 732 HOH B O 1 HETATM 5276 O O . HOH P 8 . ? 0.491 -27.749 -41.487 1.00 62.07 ? 733 HOH B O 1 HETATM 5277 O O . HOH P 8 . ? 21.190 -19.126 -40.630 1.00 58.82 ? 734 HOH B O 1 HETATM 5278 O O . HOH P 8 . ? 18.289 2.106 -54.621 1.00 51.31 ? 735 HOH B O 1 HETATM 5279 O O . HOH P 8 . ? 25.248 -6.892 -24.077 1.00 47.15 ? 736 HOH B O 1 HETATM 5280 O O . HOH P 8 . ? -13.987 7.320 -1.382 1.00 48.62 ? 737 HOH B O 1 HETATM 5281 O O . HOH P 8 . ? 5.325 20.745 -27.288 1.00 45.66 ? 738 HOH B O 1 HETATM 5282 O O . HOH P 8 . ? 26.431 -10.618 -27.338 1.00 72.32 ? 739 HOH B O 1 HETATM 5283 O O . HOH P 8 . ? 7.904 17.973 -28.490 1.00 40.87 ? 740 HOH B O 1 HETATM 5284 O O . HOH P 8 . ? -8.147 -7.176 -50.307 1.00 66.51 ? 741 HOH B O 1 HETATM 5285 O O . HOH Q 8 . ? -22.490 31.105 -14.615 1.00 20.26 ? 701 HOH C O 1 HETATM 5286 O O . HOH Q 8 . ? -18.624 40.681 -1.221 1.00 36.97 ? 702 HOH C O 1 HETATM 5287 O O . HOH Q 8 . ? -16.154 41.625 -0.913 1.00 30.84 ? 703 HOH C O 1 HETATM 5288 O O . HOH Q 8 . ? -26.435 31.741 -20.191 1.00 23.27 ? 704 HOH C O 1 HETATM 5289 O O . HOH Q 8 . ? -26.535 35.327 -1.619 1.00 33.17 ? 705 HOH C O 1 HETATM 5290 O O . HOH Q 8 . ? -17.413 53.067 -21.761 1.00 33.38 ? 706 HOH C O 1 HETATM 5291 O O . HOH Q 8 . ? -34.152 49.998 -7.657 1.00 31.78 ? 707 HOH C O 1 HETATM 5292 O O . HOH Q 8 . ? -6.750 43.273 -8.829 1.00 17.03 ? 708 HOH C O 1 HETATM 5293 O O . HOH Q 8 . ? -32.858 37.056 3.549 1.00 35.92 ? 709 HOH C O 1 HETATM 5294 O O . HOH Q 8 . ? -13.901 42.628 -21.004 1.00 46.98 ? 710 HOH C O 1 HETATM 5295 O O . HOH Q 8 . ? -13.816 39.040 -2.267 1.00 36.75 ? 711 HOH C O 1 HETATM 5296 O O . HOH Q 8 . ? -28.430 40.693 -16.713 1.00 16.26 ? 712 HOH C O 1 HETATM 5297 O O . HOH Q 8 . ? -30.437 35.222 -7.451 1.00 42.42 ? 713 HOH C O 1 HETATM 5298 O O . HOH Q 8 . ? -7.708 51.905 -16.748 1.00 22.44 ? 714 HOH C O 1 HETATM 5299 O O . HOH Q 8 . ? -21.292 40.214 -27.231 1.00 33.24 ? 715 HOH C O 1 HETATM 5300 O O . HOH Q 8 . ? -20.657 34.705 -20.536 1.00 20.68 ? 716 HOH C O 1 HETATM 5301 O O . HOH Q 8 . ? -16.521 32.843 -19.099 1.00 19.03 ? 717 HOH C O 1 HETATM 5302 O O . HOH Q 8 . ? -27.277 35.896 -11.503 1.00 19.72 ? 718 HOH C O 1 HETATM 5303 O O . HOH Q 8 . ? -12.435 31.672 -7.692 1.00 30.09 ? 719 HOH C O 1 HETATM 5304 O O . HOH Q 8 . ? -33.252 32.032 -23.355 1.00 29.98 ? 720 HOH C O 1 HETATM 5305 O O . HOH Q 8 . ? -22.367 38.162 -6.846 1.00 14.88 ? 721 HOH C O 1 HETATM 5306 O O . HOH Q 8 . ? -14.312 53.132 3.280 1.00 67.52 ? 722 HOH C O 1 HETATM 5307 O O . HOH Q 8 . ? -9.145 38.149 -7.555 1.00 21.18 ? 723 HOH C O 1 HETATM 5308 O O . HOH Q 8 . ? -11.022 47.403 -5.257 1.00 21.10 ? 724 HOH C O 1 HETATM 5309 O O . HOH Q 8 . ? -12.896 47.915 -16.170 1.00 40.33 ? 725 HOH C O 1 HETATM 5310 O O . HOH Q 8 . ? -33.819 39.957 -14.530 1.00 31.29 ? 726 HOH C O 1 HETATM 5311 O O . HOH Q 8 . ? -13.936 46.732 -20.429 1.00 27.76 ? 727 HOH C O 1 HETATM 5312 O O . HOH Q 8 . ? -31.104 35.778 -17.228 1.00 23.58 ? 728 HOH C O 1 HETATM 5313 O O . HOH Q 8 . ? 2.250 44.085 -21.967 1.00 42.08 ? 729 HOH C O 1 HETATM 5314 O O . HOH Q 8 . ? -28.648 52.028 -26.051 1.00 39.28 ? 730 HOH C O 1 HETATM 5315 O O . HOH Q 8 . ? -10.501 55.421 -16.186 1.00 36.82 ? 731 HOH C O 1 HETATM 5316 O O . HOH Q 8 . ? -35.894 46.129 -20.662 1.00 35.93 ? 732 HOH C O 1 HETATM 5317 O O . HOH Q 8 . ? -7.641 54.256 -5.198 1.00 41.05 ? 733 HOH C O 1 HETATM 5318 O O . HOH Q 8 . ? -26.806 41.761 13.682 1.00 62.97 ? 734 HOH C O 1 HETATM 5319 O O . HOH Q 8 . ? -21.967 34.650 -1.967 1.00 26.78 ? 735 HOH C O 1 HETATM 5320 O O . HOH Q 8 . ? -14.245 43.294 -1.524 1.00 31.60 ? 736 HOH C O 1 HETATM 5321 O O . HOH Q 8 . ? -25.664 36.253 0.753 1.00 51.53 ? 737 HOH C O 1 HETATM 5322 O O . HOH Q 8 . ? 6.964 34.252 -26.936 1.00 53.77 ? 738 HOH C O 1 HETATM 5323 O O . HOH Q 8 . ? -19.648 36.267 -2.922 1.00 13.80 ? 739 HOH C O 1 HETATM 5324 O O . HOH Q 8 . ? -0.137 41.371 -5.146 1.00 45.91 ? 740 HOH C O 1 HETATM 5325 O O . HOH Q 8 . ? -29.028 36.522 0.752 1.00 26.68 ? 741 HOH C O 1 HETATM 5326 O O . HOH Q 8 . ? -14.026 57.054 -8.019 1.00 38.79 ? 742 HOH C O 1 HETATM 5327 O O . HOH Q 8 . ? -7.660 39.567 -5.776 1.00 27.56 ? 743 HOH C O 1 HETATM 5328 O O . HOH Q 8 . ? -16.161 29.137 -25.000 1.00 19.68 ? 744 HOH C O 1 HETATM 5329 O O . HOH Q 8 . ? -25.665 37.777 -22.596 1.00 21.42 ? 745 HOH C O 1 HETATM 5330 O O . HOH Q 8 . ? -27.736 47.350 -24.969 1.00 35.31 ? 746 HOH C O 1 HETATM 5331 O O . HOH Q 8 . ? -33.805 38.657 -11.108 1.00 24.65 ? 747 HOH C O 1 HETATM 5332 O O . HOH Q 8 . ? -0.528 49.487 -15.317 1.00 24.32 ? 748 HOH C O 1 HETATM 5333 O O . HOH Q 8 . ? -29.082 40.808 15.033 1.00 88.91 ? 749 HOH C O 1 HETATM 5334 O O . HOH Q 8 . ? -23.018 32.904 -18.359 1.00 23.14 ? 750 HOH C O 1 HETATM 5335 O O . HOH Q 8 . ? -16.321 38.467 -3.129 1.00 22.22 ? 751 HOH C O 1 HETATM 5336 O O . HOH Q 8 . ? -24.047 41.281 -27.056 1.00 48.73 ? 752 HOH C O 1 HETATM 5337 O O . HOH Q 8 . ? -16.294 49.294 -16.465 1.00 20.63 ? 753 HOH C O 1 HETATM 5338 O O . HOH Q 8 . ? -13.537 36.486 -3.141 1.00 52.01 ? 754 HOH C O 1 HETATM 5339 O O . HOH Q 8 . ? -35.861 42.211 -7.941 1.00 36.26 ? 755 HOH C O 1 HETATM 5340 O O . HOH Q 8 . ? -7.184 37.290 -4.211 1.00 45.51 ? 756 HOH C O 1 HETATM 5341 O O . HOH Q 8 . ? -20.329 32.126 -18.246 1.00 28.16 ? 757 HOH C O 1 HETATM 5342 O O . HOH Q 8 . ? -15.104 42.216 -17.041 1.00 34.66 ? 758 HOH C O 1 HETATM 5343 O O . HOH Q 8 . ? -20.013 52.472 -19.582 1.00 25.91 ? 759 HOH C O 1 HETATM 5344 O O . HOH Q 8 . ? -18.757 29.620 -27.898 1.00 17.64 ? 760 HOH C O 1 HETATM 5345 O O . HOH Q 8 . ? -35.664 40.520 -16.408 1.00 28.43 ? 761 HOH C O 1 HETATM 5346 O O . HOH Q 8 . ? -24.062 34.889 -20.032 1.00 25.01 ? 762 HOH C O 1 HETATM 5347 O O . HOH Q 8 . ? -35.044 40.689 -0.198 1.00 34.17 ? 763 HOH C O 1 HETATM 5348 O O . HOH Q 8 . ? -12.731 43.998 -3.612 1.00 26.19 ? 764 HOH C O 1 HETATM 5349 O O . HOH Q 8 . ? -7.031 56.342 -10.985 1.00 48.05 ? 765 HOH C O 1 HETATM 5350 O O . HOH Q 8 . ? -25.680 57.172 -7.708 1.00 34.20 ? 766 HOH C O 1 HETATM 5351 O O . HOH Q 8 . ? -3.069 35.304 -5.217 1.00 35.93 ? 767 HOH C O 1 HETATM 5352 O O . HOH Q 8 . ? -33.646 52.611 -0.782 1.00 42.38 ? 768 HOH C O 1 HETATM 5353 O O . HOH Q 8 . ? -30.040 30.926 -24.739 1.00 52.05 ? 769 HOH C O 1 HETATM 5354 O O . HOH Q 8 . ? -21.185 39.754 -1.295 1.00 31.02 ? 770 HOH C O 1 HETATM 5355 O O . HOH Q 8 . ? -15.206 46.695 -16.825 1.00 17.39 ? 771 HOH C O 1 HETATM 5356 O O . HOH Q 8 . ? -26.756 33.492 -12.696 1.00 29.64 ? 772 HOH C O 1 HETATM 5357 O O . HOH Q 8 . ? -33.957 47.272 -25.196 1.00 34.84 ? 773 HOH C O 1 HETATM 5358 O O . HOH Q 8 . ? -34.628 40.596 4.890 1.00 44.46 ? 774 HOH C O 1 HETATM 5359 O O . HOH Q 8 . ? -9.833 31.682 -6.899 1.00 39.78 ? 775 HOH C O 1 HETATM 5360 O O . HOH Q 8 . ? -33.276 33.523 -0.184 1.00 50.61 ? 776 HOH C O 1 HETATM 5361 O O . HOH Q 8 . ? -12.493 56.174 -23.531 1.00 42.65 ? 777 HOH C O 1 HETATM 5362 O O . HOH Q 8 . ? -10.041 47.692 -7.777 1.00 22.06 ? 778 HOH C O 1 HETATM 5363 O O . HOH Q 8 . ? -32.230 39.736 -16.707 1.00 38.50 ? 779 HOH C O 1 HETATM 5364 O O . HOH Q 8 . ? -20.787 59.679 -11.281 1.00 34.32 ? 780 HOH C O 1 HETATM 5365 O O . HOH Q 8 . ? -8.811 45.575 -19.649 1.00 21.85 ? 781 HOH C O 1 HETATM 5366 O O . HOH Q 8 . ? -11.158 49.316 4.689 1.00 68.77 ? 782 HOH C O 1 HETATM 5367 O O . HOH Q 8 . ? -10.687 54.037 -20.496 1.00 38.53 ? 783 HOH C O 1 HETATM 5368 O O . HOH Q 8 . ? -28.528 56.975 -10.958 1.00 32.60 ? 784 HOH C O 1 HETATM 5369 O O . HOH Q 8 . ? -32.641 42.916 7.056 1.00 34.92 ? 785 HOH C O 1 HETATM 5370 O O . HOH Q 8 . ? -9.528 48.163 -19.157 1.00 21.43 ? 786 HOH C O 1 HETATM 5371 O O . HOH Q 8 . ? -16.507 44.419 -17.538 1.00 41.65 ? 787 HOH C O 1 HETATM 5372 O O . HOH Q 8 . ? -30.102 35.603 10.621 1.00 30.13 ? 788 HOH C O 1 HETATM 5373 O O . HOH Q 8 . ? -22.491 37.342 -0.259 1.00 33.43 ? 789 HOH C O 1 HETATM 5374 O O . HOH Q 8 . ? -28.005 37.424 7.532 1.00 37.73 ? 790 HOH C O 1 HETATM 5375 O O . HOH Q 8 . ? -33.509 53.627 -14.504 1.00 44.42 ? 791 HOH C O 1 HETATM 5376 O O . HOH Q 8 . ? -39.191 47.090 -11.675 1.00 41.96 ? 792 HOH C O 1 HETATM 5377 O O . HOH Q 8 . ? -33.208 40.260 -5.138 1.00 24.05 ? 793 HOH C O 1 HETATM 5378 O O . HOH Q 8 . ? -11.382 44.767 -19.465 1.00 27.87 ? 794 HOH C O 1 HETATM 5379 O O . HOH Q 8 . ? -39.502 51.717 -8.114 1.00 51.74 ? 795 HOH C O 1 HETATM 5380 O O . HOH Q 8 . ? -31.679 34.718 -2.351 1.00 35.75 ? 796 HOH C O 1 HETATM 5381 O O . HOH Q 8 . ? -24.831 46.726 -26.342 1.00 44.05 ? 797 HOH C O 1 HETATM 5382 O O . HOH Q 8 . ? -24.554 34.422 -25.312 1.00 54.53 ? 798 HOH C O 1 HETATM 5383 O O . HOH Q 8 . ? -30.330 38.172 -17.808 1.00 24.20 ? 799 HOH C O 1 HETATM 5384 O O . HOH Q 8 . ? -27.590 51.963 8.478 1.00 59.75 ? 800 HOH C O 1 HETATM 5385 O O . HOH Q 8 . ? -30.770 43.441 11.516 1.00 45.06 ? 801 HOH C O 1 HETATM 5386 O O . HOH Q 8 . ? -32.159 36.645 -11.812 1.00 24.52 ? 802 HOH C O 1 HETATM 5387 O O . HOH Q 8 . ? -16.323 60.434 -11.543 1.00 48.03 ? 803 HOH C O 1 HETATM 5388 O O . HOH Q 8 . ? -22.133 57.402 -23.086 1.00 34.04 ? 804 HOH C O 1 HETATM 5389 O O . HOH Q 8 . ? -20.314 39.133 -30.025 1.00 56.59 ? 805 HOH C O 1 HETATM 5390 O O . HOH Q 8 . ? -24.669 42.117 -30.059 1.00 56.51 ? 806 HOH C O 1 HETATM 5391 O O . HOH Q 8 . ? -10.721 57.901 -21.854 1.00 39.49 ? 807 HOH C O 1 HETATM 5392 O O . HOH Q 8 . ? 0.511 46.345 -14.272 1.00 46.17 ? 808 HOH C O 1 HETATM 5393 O O . HOH Q 8 . ? -3.746 44.693 -20.040 1.00 11.73 ? 809 HOH C O 1 HETATM 5394 O O . HOH Q 8 . ? -28.093 43.974 12.791 1.00 96.67 ? 810 HOH C O 1 HETATM 5395 O O . HOH Q 8 . ? -23.506 44.358 -26.915 1.00 25.97 ? 811 HOH C O 1 HETATM 5396 O O . HOH Q 8 . ? -17.433 45.702 -22.133 1.00 38.80 ? 812 HOH C O 1 HETATM 5397 O O . HOH Q 8 . ? -26.998 57.361 -15.480 1.00 40.86 ? 813 HOH C O 1 HETATM 5398 O O . HOH Q 8 . ? -1.285 43.361 -19.148 1.00 41.18 ? 814 HOH C O 1 HETATM 5399 O O . HOH Q 8 . ? 2.204 33.130 -22.578 1.00 45.81 ? 815 HOH C O 1 HETATM 5400 O O . HOH Q 8 . ? -14.418 38.057 -25.100 1.00 23.72 ? 816 HOH C O 1 HETATM 5401 O O . HOH Q 8 . ? -35.612 35.280 -19.760 1.00 47.74 ? 817 HOH C O 1 HETATM 5402 O O . HOH Q 8 . ? -9.686 37.706 -18.156 1.00 27.68 ? 818 HOH C O 1 HETATM 5403 O O . HOH Q 8 . ? -12.332 46.790 -18.238 1.00 31.21 ? 819 HOH C O 1 HETATM 5404 O O . HOH Q 8 . ? -32.977 41.997 -7.640 1.00 8.19 ? 820 HOH C O 1 HETATM 5405 O O . HOH Q 8 . ? -18.129 51.527 -29.781 1.00 63.91 ? 821 HOH C O 1 HETATM 5406 O O . HOH Q 8 . ? -26.406 37.031 -25.110 1.00 58.44 ? 822 HOH C O 1 HETATM 5407 O O . HOH Q 8 . ? -21.803 51.128 4.515 1.00 38.09 ? 823 HOH C O 1 HETATM 5408 O O . HOH Q 8 . ? -8.733 57.611 -7.735 1.00 42.72 ? 824 HOH C O 1 HETATM 5409 O O . HOH Q 8 . ? -13.432 57.552 1.464 1.00 45.04 ? 825 HOH C O 1 HETATM 5410 O O . HOH Q 8 . ? -5.845 58.891 -11.587 1.00 55.81 ? 826 HOH C O 1 HETATM 5411 O O . HOH Q 8 . ? -28.411 35.044 12.656 1.00 43.09 ? 827 HOH C O 1 HETATM 5412 O O . HOH Q 8 . ? -0.664 55.740 -7.502 1.00 75.71 ? 828 HOH C O 1 HETATM 5413 O O . HOH Q 8 . ? -15.592 44.562 -20.113 1.00 45.53 ? 829 HOH C O 1 HETATM 5414 O O . HOH Q 8 . ? -26.026 39.392 -26.437 1.00 29.57 ? 830 HOH C O 1 HETATM 5415 O O . HOH Q 8 . ? -44.516 37.633 -10.923 1.00 63.94 ? 831 HOH C O 1 HETATM 5416 O O . HOH Q 8 . ? -20.728 59.889 -17.658 1.00 25.90 ? 832 HOH C O 1 HETATM 5417 O O . HOH Q 8 . ? -10.163 35.915 -6.289 1.00 33.05 ? 833 HOH C O 1 HETATM 5418 O O . HOH Q 8 . ? -29.640 35.745 5.442 1.00 26.47 ? 834 HOH C O 1 HETATM 5419 O O . HOH Q 8 . ? -20.663 60.109 -20.465 1.00 63.69 ? 835 HOH C O 1 HETATM 5420 O O . HOH Q 8 . ? -23.814 47.222 7.620 1.00 49.91 ? 836 HOH C O 1 HETATM 5421 O O . HOH Q 8 . ? -3.869 59.095 -13.414 1.00 57.08 ? 837 HOH C O 1 HETATM 5422 O O . HOH Q 8 . ? -5.045 47.124 -1.356 1.00 44.19 ? 838 HOH C O 1 HETATM 5423 O O . HOH Q 8 . ? -35.998 53.193 -13.406 1.00 57.67 ? 839 HOH C O 1 HETATM 5424 O O . HOH Q 8 . ? -22.259 48.809 5.945 1.00 91.94 ? 840 HOH C O 1 HETATM 5425 O O . HOH Q 8 . ? -31.490 55.009 3.617 1.00 47.42 ? 841 HOH C O 1 HETATM 5426 O O . HOH Q 8 . ? -6.449 46.260 0.773 1.00 44.84 ? 842 HOH C O 1 HETATM 5427 O O . HOH Q 8 . ? -37.035 52.413 -11.028 1.00 46.83 ? 843 HOH C O 1 HETATM 5428 O O . HOH Q 8 . ? -18.106 37.995 -1.182 1.00 29.30 ? 844 HOH C O 1 HETATM 5429 O O . HOH Q 8 . ? 0.375 45.035 -11.763 1.00 46.57 ? 845 HOH C O 1 HETATM 5430 O O . HOH Q 8 . ? -10.450 59.423 -14.787 1.00 46.98 ? 846 HOH C O 1 HETATM 5431 O O . HOH Q 8 . ? -27.182 36.096 2.916 1.00 41.70 ? 847 HOH C O 1 HETATM 5432 O O . HOH Q 8 . ? -33.555 36.056 -16.023 1.00 49.04 ? 848 HOH C O 1 HETATM 5433 O O . HOH Q 8 . ? -11.249 51.866 -22.062 1.00 45.60 ? 849 HOH C O 1 HETATM 5434 O O . HOH Q 8 . ? -33.509 37.528 -5.614 1.00 28.16 ? 850 HOH C O 1 HETATM 5435 O O . HOH Q 8 . ? -11.573 39.704 -22.377 1.00 48.54 ? 851 HOH C O 1 HETATM 5436 O O . HOH Q 8 . ? -24.088 38.715 -28.247 1.00 54.40 ? 852 HOH C O 1 HETATM 5437 O O . HOH Q 8 . ? -28.122 48.804 -27.285 1.00 50.80 ? 853 HOH C O 1 HETATM 5438 O O . HOH Q 8 . ? -25.508 59.410 -16.470 1.00 41.32 ? 854 HOH C O 1 HETATM 5439 O O . HOH Q 8 . ? -27.437 58.656 -9.185 1.00 45.70 ? 855 HOH C O 1 HETATM 5440 O O . HOH Q 8 . ? -8.739 58.292 -11.821 1.00 54.25 ? 856 HOH C O 1 HETATM 5441 O O . HOH Q 8 . ? -32.309 32.625 -11.651 1.00 48.31 ? 857 HOH C O 1 HETATM 5442 O O . HOH Q 8 . ? -12.186 35.642 -24.943 1.00 72.27 ? 858 HOH C O 1 HETATM 5443 O O . HOH Q 8 . ? -13.640 39.583 -27.202 1.00 41.24 ? 859 HOH C O 1 HETATM 5444 O O . HOH Q 8 . ? -18.052 47.039 -28.790 1.00 40.62 ? 860 HOH C O 1 HETATM 5445 O O . HOH Q 8 . ? -6.460 35.917 -1.626 1.00 62.10 ? 861 HOH C O 1 HETATM 5446 O O . HOH Q 8 . ? -16.419 47.533 -26.563 1.00 31.42 ? 862 HOH C O 1 HETATM 5447 O O . HOH Q 8 . ? -10.323 59.159 -19.499 1.00 43.13 ? 863 HOH C O 1 HETATM 5448 O O . HOH Q 8 . ? -29.067 31.692 -29.249 1.00 41.00 ? 864 HOH C O 1 HETATM 5449 O O . HOH Q 8 . ? -43.249 39.184 -4.187 1.00 66.19 ? 865 HOH C O 1 HETATM 5450 O O . HOH Q 8 . ? -35.691 30.847 -23.103 1.00 50.72 ? 866 HOH C O 1 HETATM 5451 O O . HOH Q 8 . ? -29.121 34.922 -9.825 1.00 39.21 ? 867 HOH C O 1 HETATM 5452 O O . HOH Q 8 . ? -23.055 58.945 -21.013 1.00 47.54 ? 868 HOH C O 1 HETATM 5453 O O . HOH Q 8 . ? -4.609 44.803 -22.839 1.00 26.41 ? 869 HOH C O 1 HETATM 5454 O O . HOH Q 8 . ? 0.846 41.259 -35.614 1.00 61.29 ? 870 HOH C O 1 HETATM 5455 O O . HOH Q 8 . ? 6.189 35.922 -34.085 1.00 52.18 ? 871 HOH C O 1 HETATM 5456 O O . HOH Q 8 . ? -5.542 57.784 -8.005 1.00 58.81 ? 872 HOH C O 1 HETATM 5457 O O . HOH Q 8 . ? 4.267 46.860 -4.215 1.00 51.38 ? 873 HOH C O 1 HETATM 5458 O O . HOH Q 8 . ? -16.159 62.967 -4.080 1.00 57.03 ? 874 HOH C O 1 HETATM 5459 O O . HOH Q 8 . ? -36.999 37.212 -25.453 1.00 66.03 ? 875 HOH C O 1 HETATM 5460 O O . HOH Q 8 . ? -23.475 59.955 -18.473 1.00 51.21 ? 876 HOH C O 1 HETATM 5461 O O . HOH Q 8 . ? -34.191 37.512 -8.387 1.00 36.48 ? 877 HOH C O 1 HETATM 5462 O O . HOH Q 8 . ? -1.757 36.099 -2.975 1.00 49.83 ? 878 HOH C O 1 HETATM 5463 O O . HOH Q 8 . ? -30.591 37.162 -40.443 1.00 71.09 ? 879 HOH C O 1 HETATM 5464 O O . HOH Q 8 . ? -25.956 47.841 -28.941 1.00 50.53 ? 880 HOH C O 1 HETATM 5465 O O . HOH Q 8 . ? -14.881 44.108 -26.793 1.00 44.19 ? 881 HOH C O 1 HETATM 5466 O O . HOH Q 8 . ? -15.989 45.740 -24.472 1.00 36.70 ? 882 HOH C O 1 HETATM 5467 O O . HOH Q 8 . ? -13.511 62.262 -6.154 1.00 55.73 ? 883 HOH C O 1 HETATM 5468 O O . HOH Q 8 . ? -35.818 31.533 -26.847 1.00 52.92 ? 884 HOH C O 1 HETATM 5469 O O . HOH Q 8 . ? -7.820 46.680 11.968 1.00 63.25 ? 885 HOH C O 1 HETATM 5470 O O . HOH Q 8 . ? -38.738 36.228 -15.496 1.00 54.16 ? 886 HOH C O 1 HETATM 5471 O O . HOH Q 8 . ? -43.272 53.670 -10.583 1.00 51.19 ? 887 HOH C O 1 HETATM 5472 O O . HOH Q 8 . ? -17.804 62.990 -6.828 1.00 45.11 ? 888 HOH C O 1 HETATM 5473 O O . HOH Q 8 . ? -36.892 45.079 -35.587 1.00 72.94 ? 889 HOH C O 1 # 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 GLU 1 1 1 GLU GLU A . n A 1 2 VAL 2 2 2 VAL VAL A . n A 1 3 LYS 3 3 3 LYS LYS A . n A 1 4 LEU 4 4 4 LEU LEU A . n A 1 5 GLN 5 5 5 GLN GLN A . n A 1 6 GLN 6 6 6 GLN GLN A . n A 1 7 SER 7 7 7 SER SER A . n A 1 8 GLY 8 8 8 GLY GLY A . n A 1 9 ALA 9 9 9 ALA ALA A . n A 1 10 GLU 10 10 10 GLU GLU A . n A 1 11 LEU 11 11 11 LEU LEU A . n A 1 12 ALA 12 12 12 ALA ALA A . n A 1 13 ARG 13 13 13 ARG ARG A . n A 1 14 PRO 14 14 14 PRO PRO A . n A 1 15 GLY 15 15 15 GLY GLY A . n A 1 16 THR 16 16 16 THR THR A . n A 1 17 SER 17 17 17 SER SER A . n A 1 18 VAL 18 18 18 VAL VAL A . n A 1 19 LYS 19 19 19 LYS LYS A . n A 1 20 LEU 20 20 20 LEU LEU A . n A 1 21 SER 21 21 21 SER SER A . n A 1 22 CYS 22 22 22 CYS CYS A . n A 1 23 LYS 23 23 23 LYS LYS A . n A 1 24 ALA 24 24 24 ALA ALA A . n A 1 25 SER 25 25 25 SER SER A . n A 1 26 GLY 26 26 26 GLY GLY A . n A 1 27 TYR 27 27 27 TYR TYR A . n A 1 28 THR 28 28 28 THR THR A . n A 1 29 PHE 29 29 29 PHE PHE A . n A 1 30 THR 30 30 30 THR THR A . n A 1 31 ASN 31 31 31 ASN ASN A . n A 1 32 TYR 32 32 32 TYR TYR A . n A 1 33 TRP 33 33 33 TRP TRP A . n A 1 34 MET 34 34 34 MET MET A . n A 1 35 GLN 35 35 35 GLN GLN A . n A 1 36 TRP 36 36 36 TRP TRP A . n A 1 37 ILE 37 37 37 ILE ILE A . n A 1 38 LYS 38 38 38 LYS LYS A . n A 1 39 GLN 39 39 39 GLN GLN A . n A 1 40 ARG 40 40 40 ARG ARG A . n A 1 41 PRO 41 41 41 PRO PRO A . n A 1 42 GLY 42 42 42 GLY GLY A . n A 1 43 GLN 43 43 43 GLN GLN A . n A 1 44 GLY 44 44 44 GLY GLY A . n A 1 45 LEU 45 45 45 LEU LEU A . n A 1 46 GLU 46 46 46 GLU GLU A . n A 1 47 TRP 47 47 47 TRP TRP A . n A 1 48 ILE 48 48 48 ILE ILE A . n A 1 49 GLY 49 49 49 GLY GLY A . n A 1 50 ALA 50 50 50 ALA ALA A . n A 1 51 VAL 51 51 51 VAL VAL A . n A 1 52 TYR 52 52 52 TYR TYR A . n A 1 53 PRO 53 52 52 PRO PRO A A n A 1 54 GLY 54 53 53 GLY GLY A . n A 1 55 ASP 55 54 54 ASP ASP A . n A 1 56 GLY 56 55 55 GLY GLY A . n A 1 57 ASP 57 56 56 ASP ASP A . n A 1 58 THR 58 57 57 THR THR A . n A 1 59 ARG 59 58 58 ARG ARG A . n A 1 60 PHE 60 59 59 PHE PHE A . n A 1 61 SER 61 60 60 SER SER A . n A 1 62 GLN 62 61 61 GLN GLN A . n A 1 63 LYS 63 62 62 LYS LYS A . n A 1 64 PHE 64 63 63 PHE PHE A . n A 1 65 LYS 65 64 64 LYS LYS A . n A 1 66 GLY 66 65 65 GLY GLY A . n A 1 67 LYS 67 66 66 LYS LYS A . n A 1 68 ALA 68 67 67 ALA ALA A . n A 1 69 THR 69 68 68 THR THR A . n A 1 70 LEU 70 69 69 LEU LEU A . n A 1 71 THR 71 70 70 THR THR A . n A 1 72 ALA 72 71 71 ALA ALA A . n A 1 73 ASP 73 72 72 ASP ASP A . n A 1 74 LYS 74 73 73 LYS LYS A . n A 1 75 SER 75 74 74 SER SER A . n A 1 76 SER 76 75 75 SER SER A . n A 1 77 SER 77 76 76 SER SER A . n A 1 78 THR 78 77 77 THR THR A . n A 1 79 ALA 79 78 78 ALA ALA A . n A 1 80 TYR 80 79 79 TYR TYR A . n A 1 81 MET 81 80 80 MET MET A . n A 1 82 GLN 82 81 81 GLN GLN A . n A 1 83 LEU 83 82 82 LEU LEU A . n A 1 84 SER 84 82 82 SER SER A A n A 1 85 SER 85 82 82 SER SER A B n A 1 86 LEU 86 82 82 LEU LEU A C n A 1 87 SER 87 83 83 SER SER A . n A 1 88 SER 88 84 84 SER SER A . n A 1 89 GLU 89 85 85 GLU GLU A . n A 1 90 ASP 90 86 86 ASP ASP A . n A 1 91 SER 91 87 87 SER SER A . n A 1 92 ALA 92 88 88 ALA ALA A . n A 1 93 VAL 93 89 89 VAL VAL A . n A 1 94 TYR 94 90 90 TYR TYR A . n A 1 95 PHE 95 91 91 PHE PHE A . n A 1 96 CYS 96 92 92 CYS CYS A . n A 1 97 ALA 97 93 93 ALA ALA A . n A 1 98 ARG 98 94 94 ARG ARG A . n A 1 99 ARG 99 95 95 ARG ARG A . n A 1 100 ARG 100 96 96 ARG ARG A . n A 1 101 VAL 101 97 97 VAL VAL A . n A 1 102 TYR 102 98 98 TYR TYR A . n A 1 103 TYR 103 99 99 TYR TYR A . n A 1 104 GLY 104 100 100 GLY GLY A . n A 1 105 SER 105 100 100 SER SER A A n A 1 106 ASN 106 100 100 ASN ASN A B n A 1 107 TYR 107 100 100 TYR TYR A C n A 1 108 ILE 108 100 100 ILE ILE A D n A 1 109 TYR 109 100 100 TYR TYR A E n A 1 110 ALA 110 100 100 ALA ALA A F n A 1 111 LEU 111 100 100 LEU LEU A G n A 1 112 ASP 112 101 101 ASP ASP A . n A 1 113 TYR 113 102 102 TYR TYR A . n A 1 114 TRP 114 103 103 TRP TRP A . n A 1 115 GLY 115 104 104 GLY GLY A . n A 1 116 GLN 116 105 105 GLN GLN A . n A 1 117 GLY 117 106 106 GLY GLY A . n A 1 118 THR 118 107 107 THR THR A . n A 1 119 SER 119 108 108 SER SER A . n A 1 120 VAL 120 109 109 VAL VAL A . n A 1 121 THR 121 110 110 THR THR A . n A 1 122 VAL 122 111 111 VAL VAL A . n A 1 123 SER 123 112 112 SER SER A . n A 1 124 ALA 124 113 113 ALA ALA A . n A 1 125 ALA 125 114 114 ALA ALA A . n A 1 126 LYS 126 115 115 LYS LYS A . n A 1 127 THR 127 116 116 THR THR A . n A 1 128 THR 128 117 117 THR THR A . n A 1 129 ALA 129 118 118 ALA ALA A . n A 1 130 PRO 130 119 119 PRO PRO A . n A 1 131 SER 131 120 120 SER SER A . n A 1 132 VAL 132 121 121 VAL VAL A . n A 1 133 TYR 133 122 122 TYR TYR A . n A 1 134 PRO 134 123 123 PRO PRO A . n A 1 135 LEU 135 124 124 LEU LEU A . n A 1 136 ALA 136 125 125 ALA ALA A . n A 1 137 PRO 137 126 126 PRO PRO A . n A 1 138 VAL 138 127 127 VAL VAL A . n A 1 139 CYS 139 128 ? ? ? A . n A 1 140 GLY 140 129 ? ? ? A . n A 1 141 ASP 141 130 ? ? ? A . n A 1 142 THR 142 131 ? ? ? A . n A 1 143 THR 143 132 ? ? ? A . n A 1 144 GLY 144 133 133 GLY GLY A . n A 1 145 SER 145 134 134 SER SER A . n A 1 146 SER 146 135 135 SER SER A . n A 1 147 VAL 147 136 136 VAL VAL A . n A 1 148 THR 148 137 137 THR THR A . n A 1 149 LEU 149 138 138 LEU LEU A . n A 1 150 GLY 150 139 139 GLY GLY A . n A 1 151 CYS 151 140 140 CYS CYS A . n A 1 152 LEU 152 141 141 LEU LEU A . n A 1 153 VAL 153 142 142 VAL VAL A . n A 1 154 LYS 154 143 143 LYS LYS A . n A 1 155 GLY 155 144 144 GLY GLY A . n A 1 156 TYR 156 145 145 TYR TYR A . n A 1 157 PHE 157 146 146 PHE PHE A . n A 1 158 PRO 158 147 147 PRO PRO A . n A 1 159 GLU 159 148 148 GLU GLU A . n A 1 160 PRO 160 149 149 PRO PRO A . n A 1 161 VAL 161 150 150 VAL VAL A . n A 1 162 THR 162 151 151 THR THR A . n A 1 163 LEU 163 152 152 LEU LEU A . n A 1 164 THR 164 153 153 THR THR A . n A 1 165 TRP 165 154 154 TRP TRP A . n A 1 166 ASN 166 155 155 ASN ASN A . n A 1 167 SER 167 156 156 SER SER A . n A 1 168 GLY 168 157 157 GLY GLY A . n A 1 169 SER 169 158 158 SER SER A . n A 1 170 LEU 170 159 159 LEU LEU A . n A 1 171 SER 171 160 160 SER SER A . n A 1 172 SER 172 161 161 SER SER A . n A 1 173 GLY 173 162 162 GLY GLY A . n A 1 174 VAL 174 163 163 VAL VAL A . n A 1 175 HIS 175 164 164 HIS HIS A . n A 1 176 THR 176 165 165 THR THR A . n A 1 177 PHE 177 166 166 PHE PHE A . n A 1 178 PRO 178 167 167 PRO PRO A . n A 1 179 ALA 179 168 168 ALA ALA A . n A 1 180 VAL 180 169 169 VAL VAL A . n A 1 181 LEU 181 170 170 LEU LEU A . n A 1 182 GLN 182 171 171 GLN GLN A . n A 1 183 SER 183 172 172 SER SER A . n A 1 184 ASP 184 173 173 ASP ASP A . n A 1 185 LEU 185 174 174 LEU LEU A . n A 1 186 TYR 186 175 175 TYR TYR A . n A 1 187 THR 187 176 176 THR THR A . n A 1 188 LEU 188 177 177 LEU LEU A . n A 1 189 SER 189 178 178 SER SER A . n A 1 190 SER 190 179 179 SER SER A . n A 1 191 SER 191 180 180 SER SER A . n A 1 192 VAL 192 181 181 VAL VAL A . n A 1 193 THR 193 182 182 THR THR A . n A 1 194 VAL 194 183 183 VAL VAL A . n A 1 195 THR 195 184 184 THR THR A . n A 1 196 SER 196 185 185 SER SER A . n A 1 197 SER 197 186 186 SER SER A . n A 1 198 THR 198 187 187 THR THR A . n A 1 199 TRP 199 188 188 TRP TRP A . n A 1 200 PRO 200 189 189 PRO PRO A . n A 1 201 SER 201 190 190 SER SER A . n A 1 202 GLN 202 191 191 GLN GLN A . n A 1 203 SER 203 192 192 SER SER A . n A 1 204 ILE 204 193 193 ILE ILE A . n A 1 205 THR 205 194 194 THR THR A . n A 1 206 CYS 206 195 195 CYS CYS A . n A 1 207 ASN 207 196 196 ASN ASN A . n A 1 208 VAL 208 197 197 VAL VAL A . n A 1 209 ALA 209 198 198 ALA ALA A . n A 1 210 HIS 210 199 199 HIS HIS A . n A 1 211 PRO 211 200 200 PRO PRO A . n A 1 212 ALA 212 201 201 ALA ALA A . n A 1 213 SER 213 202 202 SER SER A . n A 1 214 SER 214 203 203 SER SER A . n A 1 215 THR 215 204 204 THR THR A . n A 1 216 LYS 216 205 205 LYS LYS A . n A 1 217 VAL 217 206 206 VAL VAL A . n A 1 218 ASP 218 207 207 ASP ASP A . n A 1 219 LYS 219 208 208 LYS LYS A . n A 1 220 LYS 220 209 209 LYS LYS A . n A 1 221 ILE 221 210 210 ILE ILE A . n A 1 222 GLU 222 211 211 GLU GLU A . n A 1 223 PRO 223 212 212 PRO PRO A . n A 1 224 ARG 224 213 213 ARG ARG A . n B 2 1 ASP 1 1 1 ASP ASP B . n B 2 2 ILE 2 2 2 ILE ILE B . n B 2 3 VAL 3 3 3 VAL VAL B . n B 2 4 MET 4 4 4 MET MET B . n B 2 5 THR 5 5 5 THR THR B . n B 2 6 GLN 6 6 6 GLN GLN B . n B 2 7 SER 7 7 7 SER SER B . n B 2 8 GLN 8 8 8 GLN GLN B . n B 2 9 LYS 9 9 9 LYS LYS B . n B 2 10 PHE 10 10 10 PHE PHE B . n B 2 11 MET 11 11 11 MET MET B . n B 2 12 SER 12 12 12 SER SER B . n B 2 13 THR 13 13 13 THR THR B . n B 2 14 SER 14 14 14 SER SER B . n B 2 15 ILE 15 15 15 ILE ILE B . n B 2 16 GLY 16 16 16 GLY GLY B . n B 2 17 ASP 17 17 17 ASP ASP B . n B 2 18 ARG 18 18 18 ARG ARG B . n B 2 19 VAL 19 19 19 VAL VAL B . n B 2 20 SER 20 20 20 SER SER B . n B 2 21 ILE 21 21 21 ILE ILE B . n B 2 22 THR 22 22 22 THR THR B . n B 2 23 CYS 23 23 23 CYS CYS B . n B 2 24 LYS 24 24 24 LYS LYS B . n B 2 25 ALA 25 25 25 ALA ALA B . n B 2 26 SER 26 26 26 SER SER B . n B 2 27 GLN 27 27 27 GLN GLN B . n B 2 28 ASN 28 28 28 ASN ASN B . n B 2 29 VAL 29 29 29 VAL VAL B . n B 2 30 GLY 30 30 30 GLY GLY B . n B 2 31 SER 31 31 31 SER SER B . n B 2 32 ALA 32 32 32 ALA ALA B . n B 2 33 VAL 33 33 33 VAL VAL B . n B 2 34 ALA 34 34 34 ALA ALA B . n B 2 35 TRP 35 35 35 TRP TRP B . n B 2 36 TYR 36 36 36 TYR TYR B . n B 2 37 GLN 37 37 37 GLN GLN B . n B 2 38 GLN 38 38 38 GLN GLN B . n B 2 39 LYS 39 39 39 LYS LYS B . n B 2 40 PRO 40 40 40 PRO PRO B . n B 2 41 GLY 41 41 41 GLY GLY B . n B 2 42 GLN 42 42 42 GLN GLN B . n B 2 43 SER 43 43 43 SER SER B . n B 2 44 PRO 44 44 44 PRO PRO B . n B 2 45 LYS 45 45 45 LYS LYS B . n B 2 46 LEU 46 46 46 LEU LEU B . n B 2 47 LEU 47 47 47 LEU LEU B . n B 2 48 ILE 48 48 48 ILE ILE B . n B 2 49 TYR 49 49 49 TYR TYR B . n B 2 50 SER 50 50 50 SER SER B . n B 2 51 ALA 51 51 51 ALA ALA B . n B 2 52 SER 52 52 52 SER SER B . n B 2 53 ASN 53 53 53 ASN ASN B . n B 2 54 ARG 54 54 54 ARG ARG B . n B 2 55 TYR 55 55 55 TYR TYR B . n B 2 56 THR 56 56 56 THR THR B . n B 2 57 GLY 57 57 57 GLY GLY B . n B 2 58 VAL 58 58 58 VAL VAL B . n B 2 59 PRO 59 59 59 PRO PRO B . n B 2 60 ASP 60 60 60 ASP ASP B . n B 2 61 ARG 61 61 61 ARG ARG B . n B 2 62 PHE 62 62 62 PHE PHE B . n B 2 63 ILE 63 63 63 ILE ILE B . n B 2 64 GLY 64 64 64 GLY GLY B . n B 2 65 SER 65 65 65 SER SER B . n B 2 66 GLU 66 66 66 GLU GLU B . n B 2 67 SER 67 67 67 SER SER B . n B 2 68 GLY 68 68 68 GLY GLY B . n B 2 69 THR 69 69 69 THR THR B . n B 2 70 ASP 70 70 70 ASP ASP B . n B 2 71 PHE 71 71 71 PHE PHE B . n B 2 72 THR 72 72 72 THR THR B . n B 2 73 LEU 73 73 73 LEU LEU B . n B 2 74 THR 74 74 74 THR THR B . n B 2 75 ILE 75 75 75 ILE ILE B . n B 2 76 SER 76 76 76 SER SER B . n B 2 77 ASN 77 77 77 ASN ASN B . n B 2 78 MET 78 78 78 MET MET B . n B 2 79 GLN 79 79 79 GLN GLN B . n B 2 80 SER 80 80 80 SER SER B . n B 2 81 GLU 81 81 81 GLU GLU B . n B 2 82 ASP 82 82 82 ASP ASP B . n B 2 83 LEU 83 83 83 LEU LEU B . n B 2 84 ALA 84 84 84 ALA ALA B . n B 2 85 ASP 85 85 85 ASP ASP B . n B 2 86 TYR 86 86 86 TYR TYR B . n B 2 87 PHE 87 87 87 PHE PHE B . n B 2 88 CYS 88 88 88 CYS CYS B . n B 2 89 GLN 89 89 89 GLN GLN B . n B 2 90 GLN 90 90 90 GLN GLN B . n B 2 91 TYR 91 91 91 TYR TYR B . n B 2 92 SER 92 92 92 SER SER B . n B 2 93 SER 93 93 93 SER SER B . n B 2 94 TYR 94 94 94 TYR TYR B . n B 2 95 PRO 95 95 95 PRO PRO B . n B 2 96 LEU 96 96 96 LEU LEU B . n B 2 97 ALA 97 97 97 ALA ALA B . n B 2 98 PHE 98 98 98 PHE PHE B . n B 2 99 GLY 99 99 99 GLY GLY B . n B 2 100 ALA 100 100 100 ALA ALA B . n B 2 101 GLY 101 101 101 GLY GLY B . n B 2 102 THR 102 102 102 THR THR B . n B 2 103 LYS 103 103 103 LYS LYS B . n B 2 104 LEU 104 104 104 LEU LEU B . n B 2 105 GLU 105 105 105 GLU GLU B . n B 2 106 LEU 106 106 106 LEU LEU B . n B 2 107 LYS 107 107 107 LYS LYS B . n B 2 108 ARG 108 108 108 ARG ARG B . n B 2 109 ALA 109 109 109 ALA ALA B . n B 2 110 ASP 110 110 110 ASP ASP B . n B 2 111 ALA 111 111 111 ALA ALA B . n B 2 112 ALA 112 112 112 ALA ALA B . n B 2 113 PRO 113 113 113 PRO PRO B . n B 2 114 THR 114 114 114 THR THR B . n B 2 115 VAL 115 115 115 VAL VAL B . n B 2 116 SER 116 116 116 SER SER B . n B 2 117 ILE 117 117 117 ILE ILE B . n B 2 118 PHE 118 118 118 PHE PHE B . n B 2 119 PRO 119 119 119 PRO PRO B . n B 2 120 PRO 120 120 120 PRO PRO B . n B 2 121 SER 121 121 121 SER SER B . n B 2 122 SER 122 122 122 SER SER B . n B 2 123 GLU 123 123 123 GLU GLU B . n B 2 124 GLN 124 124 124 GLN GLN B . n B 2 125 LEU 125 125 125 LEU LEU B . n B 2 126 THR 126 126 126 THR THR B . n B 2 127 SER 127 127 127 SER SER B . n B 2 128 GLY 128 128 128 GLY GLY B . n B 2 129 GLY 129 129 129 GLY GLY B . n B 2 130 ALA 130 130 130 ALA ALA B . n B 2 131 SER 131 131 131 SER SER B . n B 2 132 VAL 132 132 132 VAL VAL B . n B 2 133 VAL 133 133 133 VAL VAL B . n B 2 134 CYS 134 134 134 CYS CYS B . n B 2 135 PHE 135 135 135 PHE PHE B . n B 2 136 LEU 136 136 136 LEU LEU B . n B 2 137 ASN 137 137 137 ASN ASN B . n B 2 138 ASN 138 138 138 ASN ASN B . n B 2 139 PHE 139 139 139 PHE PHE B . n B 2 140 TYR 140 140 140 TYR TYR B . n B 2 141 PRO 141 141 141 PRO PRO B . n B 2 142 LYS 142 142 142 LYS LYS B . n B 2 143 ASP 143 143 143 ASP ASP B . n B 2 144 ILE 144 144 144 ILE ILE B . n B 2 145 ASN 145 145 145 ASN ASN B . n B 2 146 VAL 146 146 146 VAL VAL B . n B 2 147 LYS 147 147 147 LYS LYS B . n B 2 148 TRP 148 148 148 TRP TRP B . n B 2 149 LYS 149 149 149 LYS LYS B . n B 2 150 ILE 150 150 150 ILE ILE B . n B 2 151 ASP 151 151 151 ASP ASP B . n B 2 152 GLY 152 152 152 GLY GLY B . n B 2 153 SER 153 153 153 SER SER B . n B 2 154 GLU 154 154 154 GLU GLU B . n B 2 155 ARG 155 155 155 ARG ARG B . n B 2 156 GLN 156 156 156 GLN GLN B . n B 2 157 ASN 157 157 157 ASN ASN B . n B 2 158 GLY 158 158 158 GLY GLY B . n B 2 159 VAL 159 159 159 VAL VAL B . n B 2 160 LEU 160 160 160 LEU LEU B . n B 2 161 ASN 161 161 161 ASN ASN B . n B 2 162 SER 162 162 162 SER SER B . n B 2 163 TRP 163 163 163 TRP TRP B . n B 2 164 THR 164 164 164 THR THR B . n B 2 165 ASP 165 165 165 ASP ASP B . n B 2 166 GLN 166 166 166 GLN GLN B . n B 2 167 ASP 167 167 167 ASP ASP B . n B 2 168 SER 168 168 168 SER SER B . n B 2 169 LYS 169 169 169 LYS LYS B . n B 2 170 ASP 170 170 170 ASP ASP B . n B 2 171 SER 171 171 171 SER SER B . n B 2 172 THR 172 172 172 THR THR B . n B 2 173 TYR 173 173 173 TYR TYR B . n B 2 174 SER 174 174 174 SER SER B . n B 2 175 MET 175 175 175 MET MET B . n B 2 176 SER 176 176 176 SER SER B . n B 2 177 SER 177 177 177 SER SER B . n B 2 178 THR 178 178 178 THR THR B . n B 2 179 LEU 179 179 179 LEU LEU B . n B 2 180 THR 180 180 180 THR THR B . n B 2 181 LEU 181 181 181 LEU LEU B . n B 2 182 THR 182 182 182 THR THR B . n B 2 183 LYS 183 183 183 LYS LYS B . n B 2 184 ASP 184 184 184 ASP ASP B . n B 2 185 GLU 185 185 185 GLU GLU B . n B 2 186 TYR 186 186 186 TYR TYR B . n B 2 187 GLU 187 187 187 GLU GLU B . n B 2 188 ARG 188 188 188 ARG ARG B . n B 2 189 HIS 189 189 189 HIS HIS B . n B 2 190 ASN 190 190 190 ASN ASN B . n B 2 191 SER 191 191 191 SER SER B . n B 2 192 TYR 192 192 192 TYR TYR B . n B 2 193 THR 193 193 193 THR THR B . n B 2 194 CYS 194 194 194 CYS CYS B . n B 2 195 GLU 195 195 195 GLU GLU B . n B 2 196 ALA 196 196 196 ALA ALA B . n B 2 197 THR 197 197 197 THR THR B . n B 2 198 HIS 198 198 198 HIS HIS B . n B 2 199 LYS 199 199 199 LYS LYS B . n B 2 200 THR 200 200 200 THR THR B . n B 2 201 SER 201 201 201 SER SER B . n B 2 202 THR 202 202 202 THR THR B . n B 2 203 SER 203 203 203 SER SER B . n B 2 204 PRO 204 204 204 PRO PRO B . n B 2 205 ILE 205 205 205 ILE ILE B . n B 2 206 VAL 206 206 206 VAL VAL B . n B 2 207 LYS 207 207 207 LYS LYS B . n B 2 208 SER 208 208 208 SER SER B . n B 2 209 PHE 209 209 209 PHE PHE B . n B 2 210 ASN 210 210 210 ASN ASN B . n B 2 211 ARG 211 211 211 ARG ARG B . n B 2 212 ASN 212 212 212 ASN ASN B . n C 3 1 ASP 1 87 87 ASP ASP C . n C 3 2 LEU 2 88 88 LEU LEU C . n C 3 3 PRO 3 89 89 PRO PRO C . n C 3 4 LEU 4 90 90 LEU LEU C . n C 3 5 LEU 5 91 91 LEU LEU C . n C 3 6 CYS 6 92 92 CYS CYS C . n C 3 7 THR 7 93 93 THR THR C . n C 3 8 LEU 8 94 94 LEU LEU C . n C 3 9 ASN 9 95 95 ASN ASN C . n C 3 10 LYS 10 96 96 LYS LYS C . n C 3 11 SER 11 97 97 SER SER C . n C 3 12 HIS 12 98 98 HIS HIS C . n C 3 13 LEU 13 99 99 LEU LEU C . n C 3 14 TYR 14 100 100 TYR TYR C . n C 3 15 ILE 15 101 101 ILE ILE C . n C 3 16 LYS 16 102 102 LYS LYS C . n C 3 17 GLY 17 103 103 GLY GLY C . n C 3 18 GLY 18 104 104 GLY GLY C . n C 3 19 ASN 19 105 105 ASN ASN C . n C 3 20 ALA 20 106 106 ALA ALA C . n C 3 21 SER 21 107 107 SER SER C . n C 3 22 PHE 22 108 108 PHE PHE C . n C 3 23 LYS 23 109 109 LYS LYS C . n C 3 24 ILE 24 110 110 ILE ILE C . n C 3 25 SER 25 111 111 SER SER C . n C 3 26 PHE 26 112 112 PHE PHE C . n C 3 27 ASP 27 113 113 ASP ASP C . n C 3 28 ASP 28 114 114 ASP ASP C . n C 3 29 ILE 29 115 115 ILE ILE C . n C 3 30 ALA 30 116 116 ALA ALA C . n C 3 31 VAL 31 117 117 VAL VAL C . n C 3 32 LEU 32 118 118 LEU LEU C . n C 3 33 LEU 33 119 119 LEU LEU C . n C 3 34 PRO 34 120 120 PRO PRO C . n C 3 35 GLU 35 121 121 GLU GLU C . n C 3 36 TYR 36 122 122 TYR TYR C . n C 3 37 ASP 37 123 123 ASP ASP C . n C 3 38 VAL 38 124 124 VAL VAL C . n C 3 39 ILE 39 125 125 ILE ILE C . n C 3 40 ILE 40 126 126 ILE ILE C . n C 3 41 GLN 41 127 127 GLN GLN C . n C 3 42 HIS 42 128 128 HIS HIS C . n C 3 43 PRO 43 129 129 PRO PRO C . n C 3 44 ALA 44 130 130 ALA ALA C . n C 3 45 ASP 45 131 131 ASP ASP C . n C 3 46 MET 46 132 132 MET MET C . n C 3 47 SER 47 133 133 SER SER C . n C 3 48 TRP 48 134 134 TRP TRP C . n C 3 49 CYS 49 135 135 CYS CYS C . n C 3 50 SER 50 136 136 SER SER C . n C 3 51 LYS 51 137 137 LYS LYS C . n C 3 52 SER 52 138 138 SER SER C . n C 3 53 ASP 53 139 139 ASP ASP C . n C 3 54 ASP 54 140 140 ASP ASP C . n C 3 55 GLN 55 141 141 GLN GLN C . n C 3 56 ILE 56 142 142 ILE ILE C . n C 3 57 TRP 57 143 143 TRP TRP C . n C 3 58 LEU 58 144 144 LEU LEU C . n C 3 59 SER 59 145 145 SER SER C . n C 3 60 GLN 60 146 146 GLN GLN C . n C 3 61 TRP 61 147 147 TRP TRP C . n C 3 62 PHE 62 148 148 PHE PHE C . n C 3 63 MET 63 149 149 MET MET C . n C 3 64 ASN 64 150 150 ASN ASN C . n C 3 65 ALA 65 151 151 ALA ALA C . n C 3 66 VAL 66 152 152 VAL VAL C . n C 3 67 GLY 67 153 153 GLY GLY C . n C 3 68 HIS 68 154 154 HIS HIS C . n C 3 69 ASP 69 155 155 ASP ASP C . n C 3 70 TRP 70 156 156 TRP TRP C . n C 3 71 TYR 71 157 157 TYR TYR C . n C 3 72 LEU 72 158 158 LEU LEU C . n C 3 73 ASP 73 159 159 ASP ASP C . n C 3 74 PRO 74 160 160 PRO PRO C . n C 3 75 PRO 75 161 161 PRO PRO C . n C 3 76 PHE 76 162 162 PHE PHE C . n C 3 77 LEU 77 163 163 LEU LEU C . n C 3 78 CYS 78 164 164 CYS CYS C . n C 3 79 ARG 79 165 165 ARG ARG C . n C 3 80 ASN 80 166 166 ASN ASN C . n C 3 81 ARG 81 167 167 ARG ARG C . n C 3 82 THR 82 168 168 THR THR C . n C 3 83 LYS 83 169 169 LYS LYS C . n C 3 84 THR 84 170 170 THR THR C . n C 3 85 GLU 85 171 171 GLU GLU C . n C 3 86 GLY 86 172 172 GLY GLY C . n C 3 87 PHE 87 173 173 PHE PHE C . n C 3 88 ILE 88 174 174 ILE ILE C . n C 3 89 PHE 89 175 175 PHE PHE C . n C 3 90 GLN 90 176 176 GLN GLN C . n C 3 91 VAL 91 177 177 VAL VAL C . n C 3 92 ASN 92 178 178 ASN ASN C . n C 3 93 THR 93 179 179 THR THR C . n C 3 94 SER 94 180 180 SER SER C . n C 3 95 LYS 95 181 181 LYS LYS C . n C 3 96 THR 96 182 182 THR THR C . n C 3 97 GLY 97 183 183 GLY GLY C . n C 3 98 ILE 98 184 184 ILE ILE C . n C 3 99 ASN 99 185 185 ASN ASN C . n C 3 100 GLU 100 186 186 GLU GLU C . n C 3 101 ASN 101 187 187 ASN ASN C . n C 3 102 TYR 102 188 188 TYR TYR C . n C 3 103 ALA 103 189 189 ALA ALA C . n C 3 104 LYS 104 190 190 LYS LYS C . n C 3 105 LYS 105 191 191 LYS LYS C . n C 3 106 PHE 106 192 192 PHE PHE C . n C 3 107 LYS 107 193 193 LYS LYS C . n C 3 108 THR 108 194 194 THR THR C . n C 3 109 GLY 109 195 195 GLY GLY C . n C 3 110 MET 110 196 196 MET MET C . n C 3 111 HIS 111 197 197 HIS HIS C . n C 3 112 HIS 112 198 198 HIS HIS C . n C 3 113 LEU 113 199 199 LEU LEU C . n C 3 114 TYR 114 200 200 TYR TYR C . n C 3 115 ARG 115 201 201 ARG ARG C . n C 3 116 GLU 116 202 202 GLU GLU C . n C 3 117 TYR 117 203 203 TYR TYR C . n C 3 118 PRO 118 204 204 PRO PRO C . n C 3 119 ASP 119 205 205 ASP ASP C . n C 3 120 SER 120 206 206 SER SER C . n C 3 121 CYS 121 207 207 CYS CYS C . n C 3 122 LEU 122 208 208 LEU LEU C . n C 3 123 ASP 123 209 209 ASP ASP C . n C 3 124 GLY 124 210 210 GLY GLY C . n C 3 125 LYS 125 211 211 LYS LYS C . n C 3 126 LEU 126 212 212 LEU LEU C . n C 3 127 CYS 127 213 213 CYS CYS C . n C 3 128 LEU 128 214 214 LEU LEU C . n C 3 129 MET 129 215 215 MET MET C . n C 3 130 LYS 130 216 216 LYS LYS C . n C 3 131 ALA 131 217 217 ALA ALA C . n C 3 132 GLN 132 218 218 GLN GLN C . n C 3 133 PRO 133 219 219 PRO PRO C . n C 3 134 THR 134 220 220 THR THR C . n C 3 135 SER 135 221 221 SER SER C . n C 3 136 TRP 136 222 222 TRP TRP C . n C 3 137 PRO 137 223 223 PRO PRO C . n C 3 138 LEU 138 224 224 LEU LEU C . n C 3 139 GLN 139 225 225 GLN GLN C . n C 3 140 CYS 140 226 226 CYS CYS C . n C 3 141 PRO 141 227 227 PRO PRO C . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_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_strand_id _pdbx_nonpoly_scheme.pdb_ins_code D 4 CL 1 301 1 CL CL B . E 5 NAG 1 601 601 NAG NAG C . F 5 NAG 2 602 602 NAG NAG C . G 6 BMA 3 603 603 BMA BMA C . H 7 MAN 4 604 604 MAN MAN C . I 7 MAN 5 605 605 MAN MAN C . J 7 MAN 6 606 606 MAN MAN C . K 7 MAN 7 607 607 MAN MAN C . L 5 NAG 1 608 701 NAG NAG C . M 5 NAG 2 609 702 NAG NAG C . N 5 NAG 1 610 801 NAG NAG C . O 8 HOH 1 301 309 HOH HOH A . O 8 HOH 2 302 645 HOH HOH A . O 8 HOH 3 303 74 HOH HOH A . O 8 HOH 4 304 403 HOH HOH A . O 8 HOH 5 305 98 HOH HOH A . O 8 HOH 6 306 67 HOH HOH A . O 8 HOH 7 307 42 HOH HOH A . O 8 HOH 8 308 151 HOH HOH A . O 8 HOH 9 309 161 HOH HOH A . O 8 HOH 10 310 201 HOH HOH A . O 8 HOH 11 311 97 HOH HOH A . O 8 HOH 12 312 153 HOH HOH A . O 8 HOH 13 313 83 HOH HOH A . O 8 HOH 14 314 267 HOH HOH A . O 8 HOH 15 315 390 HOH HOH A . O 8 HOH 16 316 347 HOH HOH A . O 8 HOH 17 317 713 HOH HOH A . O 8 HOH 18 318 136 HOH HOH A . O 8 HOH 19 319 146 HOH HOH A . O 8 HOH 20 320 406 HOH HOH A . O 8 HOH 21 321 517 HOH HOH A . O 8 HOH 22 322 82 HOH HOH A . O 8 HOH 23 323 327 HOH HOH A . O 8 HOH 24 324 27 HOH HOH A . O 8 HOH 25 325 7 HOH HOH A . O 8 HOH 26 326 94 HOH HOH A . O 8 HOH 27 327 34 HOH HOH A . O 8 HOH 28 328 52 HOH HOH A . O 8 HOH 29 329 349 HOH HOH A . O 8 HOH 30 330 10 HOH HOH A . O 8 HOH 31 331 60 HOH HOH A . O 8 HOH 32 332 781 HOH HOH A . O 8 HOH 33 333 346 HOH HOH A . O 8 HOH 34 334 310 HOH HOH A . O 8 HOH 35 335 339 HOH HOH A . O 8 HOH 36 336 744 HOH HOH A . O 8 HOH 37 337 197 HOH HOH A . O 8 HOH 38 338 472 HOH HOH A . O 8 HOH 39 339 473 HOH HOH A . O 8 HOH 40 340 311 HOH HOH A . O 8 HOH 41 341 612 HOH HOH A . O 8 HOH 42 342 289 HOH HOH A . O 8 HOH 43 343 550 HOH HOH A . O 8 HOH 44 344 398 HOH HOH A . O 8 HOH 45 345 437 HOH HOH A . O 8 HOH 46 346 342 HOH HOH A . O 8 HOH 47 347 152 HOH HOH A . O 8 HOH 48 348 114 HOH HOH A . O 8 HOH 49 349 496 HOH HOH A . O 8 HOH 50 350 106 HOH HOH A . O 8 HOH 51 351 20 HOH HOH A . O 8 HOH 52 352 786 HOH HOH A . O 8 HOH 53 353 41 HOH HOH A . O 8 HOH 54 354 459 HOH HOH A . O 8 HOH 55 355 580 HOH HOH A . O 8 HOH 56 356 39 HOH HOH A . O 8 HOH 57 357 308 HOH HOH A . O 8 HOH 58 358 391 HOH HOH A . O 8 HOH 59 359 53 HOH HOH A . O 8 HOH 60 360 15 HOH HOH A . O 8 HOH 61 361 142 HOH HOH A . O 8 HOH 62 362 444 HOH HOH A . O 8 HOH 63 363 789 HOH HOH A . O 8 HOH 64 364 12 HOH HOH A . O 8 HOH 65 365 798 HOH HOH A . O 8 HOH 66 366 787 HOH HOH A . O 8 HOH 67 367 722 HOH HOH A . O 8 HOH 68 368 513 HOH HOH A . O 8 HOH 69 369 588 HOH HOH A . O 8 HOH 70 370 662 HOH HOH A . O 8 HOH 71 371 629 HOH HOH A . O 8 HOH 72 372 116 HOH HOH A . O 8 HOH 73 373 35 HOH HOH A . O 8 HOH 74 374 801 HOH HOH A . O 8 HOH 75 375 68 HOH HOH A . O 8 HOH 76 376 143 HOH HOH A . O 8 HOH 77 377 753 HOH HOH A . O 8 HOH 78 378 19 HOH HOH A . O 8 HOH 79 379 122 HOH HOH A . O 8 HOH 80 380 334 HOH HOH A . O 8 HOH 81 381 597 HOH HOH A . O 8 HOH 82 382 2 HOH HOH A . O 8 HOH 83 383 213 HOH HOH A . O 8 HOH 84 384 429 HOH HOH A . O 8 HOH 85 385 84 HOH HOH A . O 8 HOH 86 386 463 HOH HOH A . O 8 HOH 87 387 596 HOH HOH A . O 8 HOH 88 388 174 HOH HOH A . O 8 HOH 89 389 182 HOH HOH A . O 8 HOH 90 390 217 HOH HOH A . O 8 HOH 91 391 105 HOH HOH A . O 8 HOH 92 392 516 HOH HOH A . O 8 HOH 93 393 16 HOH HOH A . O 8 HOH 94 394 353 HOH HOH A . O 8 HOH 95 395 23 HOH HOH A . O 8 HOH 96 396 58 HOH HOH A . O 8 HOH 97 397 186 HOH HOH A . O 8 HOH 98 398 14 HOH HOH A . O 8 HOH 99 399 780 HOH HOH A . O 8 HOH 100 400 684 HOH HOH A . O 8 HOH 101 401 904 HOH HOH A . O 8 HOH 102 402 141 HOH HOH A . O 8 HOH 103 403 288 HOH HOH A . O 8 HOH 104 404 30 HOH HOH A . O 8 HOH 105 405 378 HOH HOH A . O 8 HOH 106 406 335 HOH HOH A . O 8 HOH 107 407 387 HOH HOH A . O 8 HOH 108 408 692 HOH HOH A . O 8 HOH 109 409 498 HOH HOH A . O 8 HOH 110 410 154 HOH HOH A . O 8 HOH 111 411 435 HOH HOH A . O 8 HOH 112 412 470 HOH HOH A . O 8 HOH 113 413 468 HOH HOH A . O 8 HOH 114 414 139 HOH HOH A . O 8 HOH 115 415 723 HOH HOH A . O 8 HOH 116 416 198 HOH HOH A . O 8 HOH 117 417 567 HOH HOH A . O 8 HOH 118 418 120 HOH HOH A . O 8 HOH 119 419 150 HOH HOH A . O 8 HOH 120 420 637 HOH HOH A . O 8 HOH 121 421 252 HOH HOH A . O 8 HOH 122 422 64 HOH HOH A . O 8 HOH 123 423 180 HOH HOH A . O 8 HOH 124 424 229 HOH HOH A . O 8 HOH 125 425 715 HOH HOH A . O 8 HOH 126 426 220 HOH HOH A . O 8 HOH 127 427 228 HOH HOH A . O 8 HOH 128 428 176 HOH HOH A . O 8 HOH 129 429 747 HOH HOH A . O 8 HOH 130 430 243 HOH HOH A . O 8 HOH 131 431 338 HOH HOH A . O 8 HOH 132 432 359 HOH HOH A . O 8 HOH 133 433 38 HOH HOH A . O 8 HOH 134 434 521 HOH HOH A . O 8 HOH 135 435 129 HOH HOH A . O 8 HOH 136 436 717 HOH HOH A . O 8 HOH 137 437 623 HOH HOH A . O 8 HOH 138 438 187 HOH HOH A . O 8 HOH 139 439 445 HOH HOH A . O 8 HOH 140 440 877 HOH HOH A . O 8 HOH 141 441 508 HOH HOH A . O 8 HOH 142 442 337 HOH HOH A . O 8 HOH 143 443 503 HOH HOH A . O 8 HOH 144 444 552 HOH HOH A . O 8 HOH 145 445 239 HOH HOH A . O 8 HOH 146 446 274 HOH HOH A . O 8 HOH 147 447 532 HOH HOH A . O 8 HOH 148 448 368 HOH HOH A . O 8 HOH 149 449 265 HOH HOH A . O 8 HOH 150 450 704 HOH HOH A . O 8 HOH 151 451 648 HOH HOH A . O 8 HOH 152 452 175 HOH HOH A . O 8 HOH 153 453 382 HOH HOH A . O 8 HOH 154 454 248 HOH HOH A . O 8 HOH 155 455 275 HOH HOH A . O 8 HOH 156 456 43 HOH HOH A . O 8 HOH 157 457 506 HOH HOH A . O 8 HOH 158 458 774 HOH HOH A . O 8 HOH 159 459 172 HOH HOH A . O 8 HOH 160 460 86 HOH HOH A . O 8 HOH 161 461 244 HOH HOH A . O 8 HOH 162 462 124 HOH HOH A . O 8 HOH 163 463 326 HOH HOH A . O 8 HOH 164 464 173 HOH HOH A . O 8 HOH 165 465 680 HOH HOH A . O 8 HOH 166 466 592 HOH HOH A . O 8 HOH 167 467 934 HOH HOH A . O 8 HOH 168 468 690 HOH HOH A . O 8 HOH 169 469 168 HOH HOH A . O 8 HOH 170 470 65 HOH HOH A . O 8 HOH 171 471 227 HOH HOH A . O 8 HOH 172 472 888 HOH HOH A . O 8 HOH 173 473 348 HOH HOH A . O 8 HOH 174 474 149 HOH HOH A . O 8 HOH 175 475 307 HOH HOH A . O 8 HOH 176 476 255 HOH HOH A . O 8 HOH 177 477 375 HOH HOH A . O 8 HOH 178 478 573 HOH HOH A . O 8 HOH 179 479 519 HOH HOH A . O 8 HOH 180 480 29 HOH HOH A . O 8 HOH 181 481 157 HOH HOH A . O 8 HOH 182 482 733 HOH HOH A . O 8 HOH 183 483 66 HOH HOH A . O 8 HOH 184 484 554 HOH HOH A . O 8 HOH 185 485 137 HOH HOH A . O 8 HOH 186 486 230 HOH HOH A . O 8 HOH 187 487 419 HOH HOH A . O 8 HOH 188 488 475 HOH HOH A . O 8 HOH 189 489 341 HOH HOH A . O 8 HOH 190 490 620 HOH HOH A . O 8 HOH 191 491 362 HOH HOH A . O 8 HOH 192 492 737 HOH HOH A . O 8 HOH 193 493 725 HOH HOH A . O 8 HOH 194 494 178 HOH HOH A . O 8 HOH 195 495 531 HOH HOH A . O 8 HOH 196 496 259 HOH HOH A . O 8 HOH 197 497 882 HOH HOH A . O 8 HOH 198 498 306 HOH HOH A . O 8 HOH 199 499 454 HOH HOH A . O 8 HOH 200 500 903 HOH HOH A . O 8 HOH 201 501 771 HOH HOH A . O 8 HOH 202 502 155 HOH HOH A . O 8 HOH 203 503 238 HOH HOH A . O 8 HOH 204 504 601 HOH HOH A . O 8 HOH 205 505 776 HOH HOH A . O 8 HOH 206 506 396 HOH HOH A . O 8 HOH 207 507 91 HOH HOH A . O 8 HOH 208 508 192 HOH HOH A . O 8 HOH 209 509 661 HOH HOH A . O 8 HOH 210 510 477 HOH HOH A . O 8 HOH 211 511 563 HOH HOH A . O 8 HOH 212 512 504 HOH HOH A . O 8 HOH 213 513 286 HOH HOH A . O 8 HOH 214 514 492 HOH HOH A . O 8 HOH 215 515 117 HOH HOH A . O 8 HOH 216 516 331 HOH HOH A . O 8 HOH 217 517 909 HOH HOH A . O 8 HOH 218 518 724 HOH HOH A . O 8 HOH 219 519 668 HOH HOH A . O 8 HOH 220 520 350 HOH HOH A . O 8 HOH 221 521 127 HOH HOH A . O 8 HOH 222 522 672 HOH HOH A . O 8 HOH 223 523 405 HOH HOH A . O 8 HOH 224 524 162 HOH HOH A . O 8 HOH 225 525 423 HOH HOH A . O 8 HOH 226 526 626 HOH HOH A . O 8 HOH 227 527 420 HOH HOH A . O 8 HOH 228 528 148 HOH HOH A . O 8 HOH 229 529 741 HOH HOH A . O 8 HOH 230 530 466 HOH HOH A . O 8 HOH 231 531 784 HOH HOH A . O 8 HOH 232 532 595 HOH HOH A . O 8 HOH 233 533 587 HOH HOH A . O 8 HOH 234 534 364 HOH HOH A . O 8 HOH 235 535 614 HOH HOH A . O 8 HOH 236 536 367 HOH HOH A . O 8 HOH 237 537 914 HOH HOH A . O 8 HOH 238 538 806 HOH HOH A . O 8 HOH 239 539 581 HOH HOH A . O 8 HOH 240 540 586 HOH HOH A . O 8 HOH 241 541 764 HOH HOH A . O 8 HOH 242 542 474 HOH HOH A . O 8 HOH 243 543 602 HOH HOH A . O 8 HOH 244 544 709 HOH HOH A . O 8 HOH 245 545 759 HOH HOH A . O 8 HOH 246 546 865 HOH HOH A . O 8 HOH 247 547 425 HOH HOH A . O 8 HOH 248 548 893 HOH HOH A . O 8 HOH 249 549 701 HOH HOH A . O 8 HOH 250 550 885 HOH HOH A . O 8 HOH 251 551 667 HOH HOH A . O 8 HOH 252 552 928 HOH HOH A . O 8 HOH 253 553 433 HOH HOH A . O 8 HOH 254 554 449 HOH HOH A . O 8 HOH 255 555 795 HOH HOH A . O 8 HOH 256 556 287 HOH HOH A . O 8 HOH 257 557 659 HOH HOH A . O 8 HOH 258 558 395 HOH HOH A . O 8 HOH 259 559 160 HOH HOH A . O 8 HOH 260 560 777 HOH HOH A . O 8 HOH 261 561 859 HOH HOH A . O 8 HOH 262 562 298 HOH HOH A . O 8 HOH 263 563 134 HOH HOH A . O 8 HOH 264 564 412 HOH HOH A . O 8 HOH 265 565 817 HOH HOH A . O 8 HOH 266 566 450 HOH HOH A . O 8 HOH 267 567 912 HOH HOH A . O 8 HOH 268 568 720 HOH HOH A . O 8 HOH 269 569 782 HOH HOH A . O 8 HOH 270 570 887 HOH HOH A . O 8 HOH 271 571 548 HOH HOH A . O 8 HOH 272 572 570 HOH HOH A . O 8 HOH 273 573 464 HOH HOH A . O 8 HOH 274 574 330 HOH HOH A . O 8 HOH 275 575 870 HOH HOH A . O 8 HOH 276 576 935 HOH HOH A . O 8 HOH 277 577 262 HOH HOH A . O 8 HOH 278 578 937 HOH HOH A . O 8 HOH 279 579 820 HOH HOH A . O 8 HOH 280 580 442 HOH HOH A . O 8 HOH 281 581 212 HOH HOH A . O 8 HOH 282 582 731 HOH HOH A . O 8 HOH 283 583 735 HOH HOH A . O 8 HOH 284 584 869 HOH HOH A . O 8 HOH 285 585 439 HOH HOH A . O 8 HOH 286 586 455 HOH HOH A . O 8 HOH 287 587 411 HOH HOH A . O 8 HOH 288 588 522 HOH HOH A . O 8 HOH 289 589 825 HOH HOH A . O 8 HOH 290 590 839 HOH HOH A . O 8 HOH 291 591 922 HOH HOH A . O 8 HOH 292 592 790 HOH HOH A . O 8 HOH 293 593 678 HOH HOH A . O 8 HOH 294 594 575 HOH HOH A . O 8 HOH 295 595 925 HOH HOH A . O 8 HOH 296 596 448 HOH HOH A . O 8 HOH 297 597 518 HOH HOH A . O 8 HOH 298 598 585 HOH HOH A . O 8 HOH 299 599 761 HOH HOH A . O 8 HOH 300 600 515 HOH HOH A . O 8 HOH 301 601 902 HOH HOH A . O 8 HOH 302 602 642 HOH HOH A . O 8 HOH 303 603 568 HOH HOH A . O 8 HOH 304 604 872 HOH HOH A . O 8 HOH 305 605 657 HOH HOH A . O 8 HOH 306 606 857 HOH HOH A . O 8 HOH 307 607 583 HOH HOH A . O 8 HOH 308 608 556 HOH HOH A . O 8 HOH 309 609 911 HOH HOH A . O 8 HOH 310 610 875 HOH HOH A . O 8 HOH 311 611 617 HOH HOH A . O 8 HOH 312 612 766 HOH HOH A . O 8 HOH 313 613 507 HOH HOH A . O 8 HOH 314 614 894 HOH HOH A . O 8 HOH 315 615 854 HOH HOH A . O 8 HOH 316 616 410 HOH HOH A . O 8 HOH 317 617 535 HOH HOH A . O 8 HOH 318 618 499 HOH HOH A . O 8 HOH 319 619 607 HOH HOH A . O 8 HOH 320 620 221 HOH HOH A . O 8 HOH 321 621 840 HOH HOH A . O 8 HOH 322 622 125 HOH HOH A . O 8 HOH 323 623 868 HOH HOH A . O 8 HOH 324 624 760 HOH HOH A . O 8 HOH 325 625 358 HOH HOH A . O 8 HOH 326 626 268 HOH HOH A . O 8 HOH 327 627 482 HOH HOH A . O 8 HOH 328 628 256 HOH HOH A . O 8 HOH 329 629 924 HOH HOH A . O 8 HOH 330 630 665 HOH HOH A . O 8 HOH 331 631 251 HOH HOH A . O 8 HOH 332 632 240 HOH HOH A . O 8 HOH 333 633 656 HOH HOH A . O 8 HOH 334 634 826 HOH HOH A . O 8 HOH 335 635 264 HOH HOH A . O 8 HOH 336 636 285 HOH HOH A . O 8 HOH 337 637 696 HOH HOH A . O 8 HOH 338 638 769 HOH HOH A . O 8 HOH 339 639 333 HOH HOH A . O 8 HOH 340 640 514 HOH HOH A . O 8 HOH 341 641 471 HOH HOH A . O 8 HOH 342 642 721 HOH HOH A . O 8 HOH 343 643 811 HOH HOH A . O 8 HOH 344 644 803 HOH HOH A . O 8 HOH 345 645 804 HOH HOH A . O 8 HOH 346 646 913 HOH HOH A . O 8 HOH 347 647 908 HOH HOH A . O 8 HOH 348 648 931 HOH HOH A . O 8 HOH 349 649 940 HOH HOH A . O 8 HOH 350 650 824 HOH HOH A . O 8 HOH 351 651 536 HOH HOH A . O 8 HOH 352 652 849 HOH HOH A . O 8 HOH 353 653 917 HOH HOH A . O 8 HOH 354 654 835 HOH HOH A . O 8 HOH 355 655 827 HOH HOH A . O 8 HOH 356 656 942 HOH HOH A . P 8 HOH 1 401 126 HOH HOH B . P 8 HOH 2 402 188 HOH HOH B . P 8 HOH 3 403 132 HOH HOH B . P 8 HOH 4 404 111 HOH HOH B . P 8 HOH 5 405 55 HOH HOH B . P 8 HOH 6 406 323 HOH HOH B . P 8 HOH 7 407 743 HOH HOH B . P 8 HOH 8 408 539 HOH HOH B . P 8 HOH 9 409 670 HOH HOH B . P 8 HOH 10 410 104 HOH HOH B . P 8 HOH 11 411 115 HOH HOH B . P 8 HOH 12 412 356 HOH HOH B . P 8 HOH 13 413 119 HOH HOH B . P 8 HOH 14 414 553 HOH HOH B . P 8 HOH 15 415 48 HOH HOH B . P 8 HOH 16 416 389 HOH HOH B . P 8 HOH 17 417 634 HOH HOH B . P 8 HOH 18 418 352 HOH HOH B . P 8 HOH 19 419 177 HOH HOH B . P 8 HOH 20 420 199 HOH HOH B . P 8 HOH 21 421 280 HOH HOH B . P 8 HOH 22 422 191 HOH HOH B . P 8 HOH 23 423 263 HOH HOH B . P 8 HOH 24 424 292 HOH HOH B . P 8 HOH 25 425 6 HOH HOH B . P 8 HOH 26 426 28 HOH HOH B . P 8 HOH 27 427 829 HOH HOH B . P 8 HOH 28 428 415 HOH HOH B . P 8 HOH 29 429 653 HOH HOH B . P 8 HOH 30 430 17 HOH HOH B . P 8 HOH 31 431 525 HOH HOH B . P 8 HOH 32 432 5 HOH HOH B . P 8 HOH 33 433 222 HOH HOH B . P 8 HOH 34 434 218 HOH HOH B . P 8 HOH 35 435 103 HOH HOH B . P 8 HOH 36 436 785 HOH HOH B . P 8 HOH 37 437 81 HOH HOH B . P 8 HOH 38 438 456 HOH HOH B . P 8 HOH 39 439 351 HOH HOH B . P 8 HOH 40 440 54 HOH HOH B . P 8 HOH 41 441 627 HOH HOH B . P 8 HOH 42 442 458 HOH HOH B . P 8 HOH 43 443 147 HOH HOH B . P 8 HOH 44 444 491 HOH HOH B . P 8 HOH 45 445 301 HOH HOH B . P 8 HOH 46 446 428 HOH HOH B . P 8 HOH 47 447 46 HOH HOH B . P 8 HOH 48 448 823 HOH HOH B . P 8 HOH 49 449 56 HOH HOH B . P 8 HOH 50 450 133 HOH HOH B . P 8 HOH 51 451 3 HOH HOH B . P 8 HOH 52 452 245 HOH HOH B . P 8 HOH 53 453 511 HOH HOH B . P 8 HOH 54 454 703 HOH HOH B . P 8 HOH 55 455 605 HOH HOH B . P 8 HOH 56 456 850 HOH HOH B . P 8 HOH 57 457 63 HOH HOH B . P 8 HOH 58 458 640 HOH HOH B . P 8 HOH 59 459 413 HOH HOH B . P 8 HOH 60 460 742 HOH HOH B . P 8 HOH 61 461 632 HOH HOH B . P 8 HOH 62 462 76 HOH HOH B . P 8 HOH 63 463 402 HOH HOH B . P 8 HOH 64 464 436 HOH HOH B . P 8 HOH 65 465 328 HOH HOH B . P 8 HOH 66 466 71 HOH HOH B . P 8 HOH 67 467 40 HOH HOH B . P 8 HOH 68 468 276 HOH HOH B . P 8 HOH 69 469 565 HOH HOH B . P 8 HOH 70 470 469 HOH HOH B . P 8 HOH 71 471 446 HOH HOH B . P 8 HOH 72 472 78 HOH HOH B . P 8 HOH 73 473 683 HOH HOH B . P 8 HOH 74 474 101 HOH HOH B . P 8 HOH 75 475 112 HOH HOH B . P 8 HOH 76 476 205 HOH HOH B . P 8 HOH 77 477 880 HOH HOH B . P 8 HOH 78 478 214 HOH HOH B . P 8 HOH 79 479 88 HOH HOH B . P 8 HOH 80 480 748 HOH HOH B . P 8 HOH 81 481 483 HOH HOH B . P 8 HOH 82 482 641 HOH HOH B . P 8 HOH 83 483 290 HOH HOH B . P 8 HOH 84 484 318 HOH HOH B . P 8 HOH 85 485 216 HOH HOH B . P 8 HOH 86 486 273 HOH HOH B . P 8 HOH 87 487 749 HOH HOH B . P 8 HOH 88 488 858 HOH HOH B . P 8 HOH 89 489 305 HOH HOH B . P 8 HOH 90 490 11 HOH HOH B . P 8 HOH 91 491 36 HOH HOH B . P 8 HOH 92 492 794 HOH HOH B . P 8 HOH 93 493 530 HOH HOH B . P 8 HOH 94 494 613 HOH HOH B . P 8 HOH 95 495 944 HOH HOH B . P 8 HOH 96 496 194 HOH HOH B . P 8 HOH 97 497 131 HOH HOH B . P 8 HOH 98 498 360 HOH HOH B . P 8 HOH 99 499 490 HOH HOH B . P 8 HOH 100 500 45 HOH HOH B . P 8 HOH 101 501 25 HOH HOH B . P 8 HOH 102 502 163 HOH HOH B . P 8 HOH 103 503 22 HOH HOH B . P 8 HOH 104 504 51 HOH HOH B . P 8 HOH 105 505 200 HOH HOH B . P 8 HOH 106 506 936 HOH HOH B . P 8 HOH 107 507 465 HOH HOH B . P 8 HOH 108 508 145 HOH HOH B . P 8 HOH 109 509 13 HOH HOH B . P 8 HOH 110 510 754 HOH HOH B . P 8 HOH 111 511 712 HOH HOH B . P 8 HOH 112 512 202 HOH HOH B . P 8 HOH 113 513 293 HOH HOH B . P 8 HOH 114 514 485 HOH HOH B . P 8 HOH 115 515 494 HOH HOH B . P 8 HOH 116 516 260 HOH HOH B . P 8 HOH 117 517 181 HOH HOH B . P 8 HOH 118 518 616 HOH HOH B . P 8 HOH 119 519 21 HOH HOH B . P 8 HOH 120 520 73 HOH HOH B . P 8 HOH 121 521 79 HOH HOH B . P 8 HOH 122 522 407 HOH HOH B . P 8 HOH 123 523 443 HOH HOH B . P 8 HOH 124 524 320 HOH HOH B . P 8 HOH 125 525 635 HOH HOH B . P 8 HOH 126 526 422 HOH HOH B . P 8 HOH 127 527 452 HOH HOH B . P 8 HOH 128 528 203 HOH HOH B . P 8 HOH 129 529 294 HOH HOH B . P 8 HOH 130 530 224 HOH HOH B . P 8 HOH 131 531 170 HOH HOH B . P 8 HOH 132 532 226 HOH HOH B . P 8 HOH 133 533 24 HOH HOH B . P 8 HOH 134 534 584 HOH HOH B . P 8 HOH 135 535 845 HOH HOH B . P 8 HOH 136 536 128 HOH HOH B . P 8 HOH 137 537 164 HOH HOH B . P 8 HOH 138 538 520 HOH HOH B . P 8 HOH 139 539 593 HOH HOH B . P 8 HOH 140 540 8 HOH HOH B . P 8 HOH 141 541 211 HOH HOH B . P 8 HOH 142 542 80 HOH HOH B . P 8 HOH 143 543 907 HOH HOH B . P 8 HOH 144 544 113 HOH HOH B . P 8 HOH 145 545 62 HOH HOH B . P 8 HOH 146 546 383 HOH HOH B . P 8 HOH 147 547 138 HOH HOH B . P 8 HOH 148 548 253 HOH HOH B . P 8 HOH 149 549 486 HOH HOH B . P 8 HOH 150 550 233 HOH HOH B . P 8 HOH 151 551 96 HOH HOH B . P 8 HOH 152 552 33 HOH HOH B . P 8 HOH 153 553 291 HOH HOH B . P 8 HOH 154 554 682 HOH HOH B . P 8 HOH 155 555 571 HOH HOH B . P 8 HOH 156 556 189 HOH HOH B . P 8 HOH 157 557 676 HOH HOH B . P 8 HOH 158 558 812 HOH HOH B . P 8 HOH 159 559 421 HOH HOH B . P 8 HOH 160 560 373 HOH HOH B . P 8 HOH 161 561 249 HOH HOH B . P 8 HOH 162 562 666 HOH HOH B . P 8 HOH 163 563 673 HOH HOH B . P 8 HOH 164 564 340 HOH HOH B . P 8 HOH 165 565 899 HOH HOH B . P 8 HOH 166 566 92 HOH HOH B . P 8 HOH 167 567 196 HOH HOH B . P 8 HOH 168 568 179 HOH HOH B . P 8 HOH 169 569 261 HOH HOH B . P 8 HOH 170 570 183 HOH HOH B . P 8 HOH 171 571 50 HOH HOH B . P 8 HOH 172 572 374 HOH HOH B . P 8 HOH 173 573 756 HOH HOH B . P 8 HOH 174 574 540 HOH HOH B . P 8 HOH 175 575 628 HOH HOH B . P 8 HOH 176 576 919 HOH HOH B . P 8 HOH 177 577 303 HOH HOH B . P 8 HOH 178 578 284 HOH HOH B . P 8 HOH 179 579 59 HOH HOH B . P 8 HOH 180 580 282 HOH HOH B . P 8 HOH 181 581 619 HOH HOH B . P 8 HOH 182 582 324 HOH HOH B . P 8 HOH 183 583 779 HOH HOH B . P 8 HOH 184 584 654 HOH HOH B . P 8 HOH 185 585 295 HOH HOH B . P 8 HOH 186 586 457 HOH HOH B . P 8 HOH 187 587 102 HOH HOH B . P 8 HOH 188 588 752 HOH HOH B . P 8 HOH 189 589 69 HOH HOH B . P 8 HOH 190 590 313 HOH HOH B . P 8 HOH 191 591 344 HOH HOH B . P 8 HOH 192 592 90 HOH HOH B . P 8 HOH 193 593 357 HOH HOH B . P 8 HOH 194 594 37 HOH HOH B . P 8 HOH 195 595 708 HOH HOH B . P 8 HOH 196 596 31 HOH HOH B . P 8 HOH 197 597 250 HOH HOH B . P 8 HOH 198 598 77 HOH HOH B . P 8 HOH 199 599 99 HOH HOH B . P 8 HOH 200 600 856 HOH HOH B . P 8 HOH 201 601 75 HOH HOH B . P 8 HOH 202 602 546 HOH HOH B . P 8 HOH 203 603 822 HOH HOH B . P 8 HOH 204 604 726 HOH HOH B . P 8 HOH 205 605 314 HOH HOH B . P 8 HOH 206 606 762 HOH HOH B . P 8 HOH 207 607 427 HOH HOH B . P 8 HOH 208 608 700 HOH HOH B . P 8 HOH 209 609 241 HOH HOH B . P 8 HOH 210 610 363 HOH HOH B . P 8 HOH 211 611 523 HOH HOH B . P 8 HOH 212 612 910 HOH HOH B . P 8 HOH 213 613 397 HOH HOH B . P 8 HOH 214 614 524 HOH HOH B . P 8 HOH 215 615 418 HOH HOH B . P 8 HOH 216 616 551 HOH HOH B . P 8 HOH 217 617 671 HOH HOH B . P 8 HOH 218 618 300 HOH HOH B . P 8 HOH 219 619 369 HOH HOH B . P 8 HOH 220 620 658 HOH HOH B . P 8 HOH 221 621 765 HOH HOH B . P 8 HOH 222 622 392 HOH HOH B . P 8 HOH 223 623 716 HOH HOH B . P 8 HOH 224 624 606 HOH HOH B . P 8 HOH 225 625 549 HOH HOH B . P 8 HOH 226 626 649 HOH HOH B . P 8 HOH 227 627 855 HOH HOH B . P 8 HOH 228 628 336 HOH HOH B . P 8 HOH 229 629 706 HOH HOH B . P 8 HOH 230 630 534 HOH HOH B . P 8 HOH 231 631 861 HOH HOH B . P 8 HOH 232 632 896 HOH HOH B . P 8 HOH 233 633 462 HOH HOH B . P 8 HOH 234 634 729 HOH HOH B . P 8 HOH 235 635 414 HOH HOH B . P 8 HOH 236 636 156 HOH HOH B . P 8 HOH 237 637 599 HOH HOH B . P 8 HOH 238 638 874 HOH HOH B . P 8 HOH 239 639 886 HOH HOH B . P 8 HOH 240 640 837 HOH HOH B . P 8 HOH 241 641 401 HOH HOH B . P 8 HOH 242 642 416 HOH HOH B . P 8 HOH 243 643 564 HOH HOH B . P 8 HOH 244 644 281 HOH HOH B . P 8 HOH 245 645 685 HOH HOH B . P 8 HOH 246 646 738 HOH HOH B . P 8 HOH 247 647 831 HOH HOH B . P 8 HOH 248 648 544 HOH HOH B . P 8 HOH 249 649 481 HOH HOH B . P 8 HOH 250 650 622 HOH HOH B . P 8 HOH 251 651 719 HOH HOH B . P 8 HOH 252 652 697 HOH HOH B . P 8 HOH 253 653 434 HOH HOH B . P 8 HOH 254 654 510 HOH HOH B . P 8 HOH 255 655 461 HOH HOH B . P 8 HOH 256 656 905 HOH HOH B . P 8 HOH 257 657 664 HOH HOH B . P 8 HOH 258 658 734 HOH HOH B . P 8 HOH 259 659 727 HOH HOH B . P 8 HOH 260 660 547 HOH HOH B . P 8 HOH 261 661 768 HOH HOH B . P 8 HOH 262 662 279 HOH HOH B . P 8 HOH 263 663 489 HOH HOH B . P 8 HOH 264 664 381 HOH HOH B . P 8 HOH 265 665 476 HOH HOH B . P 8 HOH 266 666 400 HOH HOH B . P 8 HOH 267 667 883 HOH HOH B . P 8 HOH 268 668 695 HOH HOH B . P 8 HOH 269 669 538 HOH HOH B . P 8 HOH 270 670 209 HOH HOH B . P 8 HOH 271 671 577 HOH HOH B . P 8 HOH 272 672 343 HOH HOH B . P 8 HOH 273 673 219 HOH HOH B . P 8 HOH 274 674 918 HOH HOH B . P 8 HOH 275 675 451 HOH HOH B . P 8 HOH 276 676 574 HOH HOH B . P 8 HOH 277 677 377 HOH HOH B . P 8 HOH 278 678 938 HOH HOH B . P 8 HOH 279 679 388 HOH HOH B . P 8 HOH 280 680 815 HOH HOH B . P 8 HOH 281 681 650 HOH HOH B . P 8 HOH 282 682 770 HOH HOH B . P 8 HOH 283 683 484 HOH HOH B . P 8 HOH 284 684 386 HOH HOH B . P 8 HOH 285 685 246 HOH HOH B . P 8 HOH 286 686 208 HOH HOH B . P 8 HOH 287 687 247 HOH HOH B . P 8 HOH 288 688 232 HOH HOH B . P 8 HOH 289 689 409 HOH HOH B . P 8 HOH 290 690 185 HOH HOH B . P 8 HOH 291 691 618 HOH HOH B . P 8 HOH 292 692 195 HOH HOH B . P 8 HOH 293 693 939 HOH HOH B . P 8 HOH 294 694 929 HOH HOH B . P 8 HOH 295 695 57 HOH HOH B . P 8 HOH 296 696 431 HOH HOH B . P 8 HOH 297 697 732 HOH HOH B . P 8 HOH 298 698 166 HOH HOH B . P 8 HOH 299 699 604 HOH HOH B . P 8 HOH 300 700 848 HOH HOH B . P 8 HOH 301 701 860 HOH HOH B . P 8 HOH 302 702 501 HOH HOH B . P 8 HOH 303 703 610 HOH HOH B . P 8 HOH 304 704 705 HOH HOH B . P 8 HOH 305 705 778 HOH HOH B . P 8 HOH 306 706 698 HOH HOH B . P 8 HOH 307 707 109 HOH HOH B . P 8 HOH 308 708 562 HOH HOH B . P 8 HOH 309 709 432 HOH HOH B . P 8 HOH 310 710 277 HOH HOH B . P 8 HOH 311 711 447 HOH HOH B . P 8 HOH 312 712 304 HOH HOH B . P 8 HOH 313 713 438 HOH HOH B . P 8 HOH 314 714 921 HOH HOH B . P 8 HOH 315 715 631 HOH HOH B . P 8 HOH 316 716 512 HOH HOH B . P 8 HOH 317 717 793 HOH HOH B . P 8 HOH 318 718 710 HOH HOH B . P 8 HOH 319 719 361 HOH HOH B . P 8 HOH 320 720 646 HOH HOH B . P 8 HOH 321 721 283 HOH HOH B . P 8 HOH 322 722 266 HOH HOH B . P 8 HOH 323 723 772 HOH HOH B . P 8 HOH 324 724 881 HOH HOH B . P 8 HOH 325 725 594 HOH HOH B . P 8 HOH 326 726 906 HOH HOH B . P 8 HOH 327 727 828 HOH HOH B . P 8 HOH 328 728 598 HOH HOH B . P 8 HOH 329 729 866 HOH HOH B . P 8 HOH 330 730 864 HOH HOH B . P 8 HOH 331 731 863 HOH HOH B . P 8 HOH 332 732 818 HOH HOH B . P 8 HOH 333 733 813 HOH HOH B . P 8 HOH 334 734 836 HOH HOH B . P 8 HOH 335 735 915 HOH HOH B . P 8 HOH 336 736 643 HOH HOH B . P 8 HOH 337 737 943 HOH HOH B . P 8 HOH 338 738 808 HOH HOH B . P 8 HOH 339 739 660 HOH HOH B . P 8 HOH 340 740 920 HOH HOH B . P 8 HOH 341 741 941 HOH HOH B . Q 8 HOH 1 701 87 HOH HOH C . Q 8 HOH 2 702 215 HOH HOH C . Q 8 HOH 3 703 365 HOH HOH C . Q 8 HOH 4 704 121 HOH HOH C . Q 8 HOH 5 705 225 HOH HOH C . Q 8 HOH 6 706 558 HOH HOH C . Q 8 HOH 7 707 542 HOH HOH C . Q 8 HOH 8 708 18 HOH HOH C . Q 8 HOH 9 709 638 HOH HOH C . Q 8 HOH 10 710 560 HOH HOH C . Q 8 HOH 11 711 234 HOH HOH C . Q 8 HOH 12 712 44 HOH HOH C . Q 8 HOH 13 713 478 HOH HOH C . Q 8 HOH 14 714 85 HOH HOH C . Q 8 HOH 15 715 371 HOH HOH C . Q 8 HOH 16 716 32 HOH HOH C . Q 8 HOH 17 717 158 HOH HOH C . Q 8 HOH 18 718 144 HOH HOH C . Q 8 HOH 19 719 533 HOH HOH C . Q 8 HOH 20 720 440 HOH HOH C . Q 8 HOH 21 721 47 HOH HOH C . Q 8 HOH 22 722 846 HOH HOH C . Q 8 HOH 23 723 167 HOH HOH C . Q 8 HOH 24 724 108 HOH HOH C . Q 8 HOH 25 725 624 HOH HOH C . Q 8 HOH 26 726 272 HOH HOH C . Q 8 HOH 27 727 204 HOH HOH C . Q 8 HOH 28 728 526 HOH HOH C . Q 8 HOH 29 729 847 HOH HOH C . Q 8 HOH 30 730 901 HOH HOH C . Q 8 HOH 31 731 408 HOH HOH C . Q 8 HOH 32 732 319 HOH HOH C . Q 8 HOH 33 733 271 HOH HOH C . Q 8 HOH 34 734 615 HOH HOH C . Q 8 HOH 35 735 165 HOH HOH C . Q 8 HOH 36 736 269 HOH HOH C . Q 8 HOH 37 737 693 HOH HOH C . Q 8 HOH 38 738 876 HOH HOH C . Q 8 HOH 39 739 26 HOH HOH C . Q 8 HOH 40 740 488 HOH HOH C . Q 8 HOH 41 741 135 HOH HOH C . Q 8 HOH 42 742 370 HOH HOH C . Q 8 HOH 43 743 270 HOH HOH C . Q 8 HOH 44 744 95 HOH HOH C . Q 8 HOH 45 745 72 HOH HOH C . Q 8 HOH 46 746 254 HOH HOH C . Q 8 HOH 47 747 118 HOH HOH C . Q 8 HOH 48 748 123 HOH HOH C . Q 8 HOH 49 749 767 HOH HOH C . Q 8 HOH 50 750 237 HOH HOH C . Q 8 HOH 51 751 107 HOH HOH C . Q 8 HOH 52 752 625 HOH HOH C . Q 8 HOH 53 753 61 HOH HOH C . Q 8 HOH 54 754 775 HOH HOH C . Q 8 HOH 55 755 393 HOH HOH C . Q 8 HOH 56 756 728 HOH HOH C . Q 8 HOH 57 757 207 HOH HOH C . Q 8 HOH 58 758 258 HOH HOH C . Q 8 HOH 59 759 171 HOH HOH C . Q 8 HOH 60 760 70 HOH HOH C . Q 8 HOH 61 761 231 HOH HOH C . Q 8 HOH 62 762 89 HOH HOH C . Q 8 HOH 63 763 236 HOH HOH C . Q 8 HOH 64 764 130 HOH HOH C . Q 8 HOH 65 765 479 HOH HOH C . Q 8 HOH 66 766 355 HOH HOH C . Q 8 HOH 67 767 417 HOH HOH C . Q 8 HOH 68 768 394 HOH HOH C . Q 8 HOH 69 769 441 HOH HOH C . Q 8 HOH 70 770 591 HOH HOH C . Q 8 HOH 71 771 110 HOH HOH C . Q 8 HOH 72 772 385 HOH HOH C . Q 8 HOH 73 773 502 HOH HOH C . Q 8 HOH 74 774 354 HOH HOH C . Q 8 HOH 75 775 816 HOH HOH C . Q 8 HOH 76 776 210 HOH HOH C . Q 8 HOH 77 777 576 HOH HOH C . Q 8 HOH 78 778 379 HOH HOH C . Q 8 HOH 79 779 460 HOH HOH C . Q 8 HOH 80 780 500 HOH HOH C . Q 8 HOH 81 781 49 HOH HOH C . Q 8 HOH 82 782 799 HOH HOH C . Q 8 HOH 83 783 802 HOH HOH C . Q 8 HOH 84 784 169 HOH HOH C . Q 8 HOH 85 785 755 HOH HOH C . Q 8 HOH 86 786 223 HOH HOH C . Q 8 HOH 87 787 302 HOH HOH C . Q 8 HOH 88 788 184 HOH HOH C . Q 8 HOH 89 789 545 HOH HOH C . Q 8 HOH 90 790 555 HOH HOH C . Q 8 HOH 91 791 325 HOH HOH C . Q 8 HOH 92 792 278 HOH HOH C . Q 8 HOH 93 793 193 HOH HOH C . Q 8 HOH 94 794 384 HOH HOH C . Q 8 HOH 95 795 932 HOH HOH C . Q 8 HOH 96 796 332 HOH HOH C . Q 8 HOH 97 797 321 HOH HOH C . Q 8 HOH 98 798 884 HOH HOH C . Q 8 HOH 99 799 317 HOH HOH C . Q 8 HOH 100 800 889 HOH HOH C . Q 8 HOH 101 801 372 HOH HOH C . Q 8 HOH 102 802 206 HOH HOH C . Q 8 HOH 103 803 505 HOH HOH C . Q 8 HOH 104 804 316 HOH HOH C . Q 8 HOH 105 805 590 HOH HOH C . Q 8 HOH 106 806 689 HOH HOH C . Q 8 HOH 107 807 557 HOH HOH C . Q 8 HOH 108 808 714 HOH HOH C . Q 8 HOH 109 809 4 HOH HOH C . Q 8 HOH 110 810 529 HOH HOH C . Q 8 HOH 111 811 404 HOH HOH C . Q 8 HOH 112 812 603 HOH HOH C . Q 8 HOH 113 813 582 HOH HOH C . Q 8 HOH 114 814 329 HOH HOH C . Q 8 HOH 115 815 509 HOH HOH C . Q 8 HOH 116 816 93 HOH HOH C . Q 8 HOH 117 817 100 HOH HOH C . Q 8 HOH 118 818 399 HOH HOH C . Q 8 HOH 119 819 609 HOH HOH C . Q 8 HOH 120 820 1 HOH HOH C . Q 8 HOH 121 821 898 HOH HOH C . Q 8 HOH 122 822 841 HOH HOH C . Q 8 HOH 123 823 751 HOH HOH C . Q 8 HOH 124 824 527 HOH HOH C . Q 8 HOH 125 825 740 HOH HOH C . Q 8 HOH 126 826 579 HOH HOH C . Q 8 HOH 127 827 430 HOH HOH C . Q 8 HOH 128 828 810 HOH HOH C . Q 8 HOH 129 829 745 HOH HOH C . Q 8 HOH 130 830 702 HOH HOH C . Q 8 HOH 131 831 933 HOH HOH C . Q 8 HOH 132 832 315 HOH HOH C . Q 8 HOH 133 833 322 HOH HOH C . Q 8 HOH 134 834 669 HOH HOH C . Q 8 HOH 135 835 663 HOH HOH C . Q 8 HOH 136 836 842 HOH HOH C . Q 8 HOH 137 837 819 HOH HOH C . Q 8 HOH 138 838 561 HOH HOH C . Q 8 HOH 139 839 750 HOH HOH C . Q 8 HOH 140 840 895 HOH HOH C . Q 8 HOH 141 841 853 HOH HOH C . Q 8 HOH 142 842 578 HOH HOH C . Q 8 HOH 143 843 892 HOH HOH C . Q 8 HOH 144 844 299 HOH HOH C . Q 8 HOH 145 845 675 HOH HOH C . Q 8 HOH 146 846 589 HOH HOH C . Q 8 HOH 147 847 757 HOH HOH C . Q 8 HOH 148 848 833 HOH HOH C . Q 8 HOH 149 849 426 HOH HOH C . Q 8 HOH 150 850 242 HOH HOH C . Q 8 HOH 151 851 630 HOH HOH C . Q 8 HOH 152 852 633 HOH HOH C . Q 8 HOH 153 853 674 HOH HOH C . Q 8 HOH 154 854 797 HOH HOH C . Q 8 HOH 155 855 691 HOH HOH C . Q 8 HOH 156 856 844 HOH HOH C . Q 8 HOH 157 857 297 HOH HOH C . Q 8 HOH 158 858 569 HOH HOH C . Q 8 HOH 159 859 739 HOH HOH C . Q 8 HOH 160 860 694 HOH HOH C . Q 8 HOH 161 861 647 HOH HOH C . Q 8 HOH 162 862 608 HOH HOH C . Q 8 HOH 163 863 572 HOH HOH C . Q 8 HOH 164 864 758 HOH HOH C . Q 8 HOH 165 865 897 HOH HOH C . Q 8 HOH 166 866 736 HOH HOH C . Q 8 HOH 167 867 688 HOH HOH C . Q 8 HOH 168 868 566 HOH HOH C . Q 8 HOH 169 869 235 HOH HOH C . Q 8 HOH 170 870 843 HOH HOH C . Q 8 HOH 171 871 926 HOH HOH C . Q 8 HOH 172 872 559 HOH HOH C . Q 8 HOH 173 873 830 HOH HOH C . Q 8 HOH 174 874 495 HOH HOH C . Q 8 HOH 175 875 871 HOH HOH C . Q 8 HOH 176 876 497 HOH HOH C . Q 8 HOH 177 877 718 HOH HOH C . Q 8 HOH 178 878 480 HOH HOH C . Q 8 HOH 179 879 652 HOH HOH C . Q 8 HOH 180 880 763 HOH HOH C . Q 8 HOH 181 881 639 HOH HOH C . Q 8 HOH 182 882 651 HOH HOH C . Q 8 HOH 183 883 528 HOH HOH C . Q 8 HOH 184 884 852 HOH HOH C . Q 8 HOH 185 885 805 HOH HOH C . Q 8 HOH 186 886 916 HOH HOH C . Q 8 HOH 187 887 873 HOH HOH C . Q 8 HOH 188 888 380 HOH HOH C . Q 8 HOH 189 889 862 HOH HOH C . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details trimeric _pdbx_struct_assembly.oligomeric_count 3 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 8070 ? 1 MORE -3 ? 1 'SSA (A^2)' 27030 ? # _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] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # 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 2015-12-30 2 'Structure model' 1 1 2017-09-13 # _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' 'Author supporting evidence' 2 2 'Structure model' 'Derived calculations' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 2 'Structure model' pdbx_audit_support 2 2 'Structure model' pdbx_struct_oper_list # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 2 'Structure model' '_pdbx_audit_support.funding_organization' 2 2 'Structure model' '_pdbx_struct_oper_list.symmetry_operation' # _diffrn_reflns.diffrn_id 1 _diffrn_reflns.pdbx_d_res_high 1.821 _diffrn_reflns.pdbx_d_res_low 88.820 _diffrn_reflns.pdbx_number_obs 63113 _diffrn_reflns.pdbx_Rmerge_I_obs ? _diffrn_reflns.pdbx_Rsym_value 0.226 _diffrn_reflns.pdbx_chi_squared ? _diffrn_reflns.pdbx_redundancy 5.90 _diffrn_reflns.pdbx_rejects ? _diffrn_reflns.pdbx_percent_possible_obs 99.90 _diffrn_reflns.pdbx_observed_criterion ? _diffrn_reflns.number 371895 _diffrn_reflns.limit_h_max ? _diffrn_reflns.limit_h_min ? _diffrn_reflns.limit_k_max ? _diffrn_reflns.limit_k_min ? _diffrn_reflns.limit_l_max ? _diffrn_reflns.limit_l_min ? # loop_ _pdbx_diffrn_reflns_shell.diffrn_id _pdbx_diffrn_reflns_shell.d_res_high _pdbx_diffrn_reflns_shell.d_res_low _pdbx_diffrn_reflns_shell.number_obs _pdbx_diffrn_reflns_shell.rejects _pdbx_diffrn_reflns_shell.Rmerge_I_obs _pdbx_diffrn_reflns_shell.Rsym_value _pdbx_diffrn_reflns_shell.chi_squared _pdbx_diffrn_reflns_shell.redundancy _pdbx_diffrn_reflns_shell.percent_possible_obs 1 5.76 68.93 ? ? 0.068 0.068 ? 5.60 ? 1 4.07 5.76 ? ? 0.072 0.072 ? 5.70 ? 1 3.32 4.07 ? ? 0.089 0.089 ? 6.10 ? 1 2.88 3.32 ? ? 0.133 0.133 ? 6.00 ? 1 2.58 2.88 ? ? 0.208 0.208 ? 6.10 ? 1 2.35 2.58 ? ? 0.324 0.324 ? 5.80 ? 1 2.18 2.35 ? ? 0.455 0.455 ? 6.20 ? 1 2.04 2.18 ? ? 0.640 0.640 ? 5.60 ? 1 1.92 2.04 ? ? 0.950 0.950 ? 6.00 ? 1 1.82 1.92 ? ? 1.418 1.418 ? 5.70 ? # _pdbx_phasing_MR.entry_id 5EN2 _pdbx_phasing_MR.method_rotation ? _pdbx_phasing_MR.method_translation ? _pdbx_phasing_MR.model_details 'Phaser MODE: MR_AUTO' _pdbx_phasing_MR.R_factor ? _pdbx_phasing_MR.R_rigid_body ? _pdbx_phasing_MR.correlation_coeff_Fo_to_Fc ? _pdbx_phasing_MR.correlation_coeff_Io_to_Ic ? _pdbx_phasing_MR.d_res_high_rotation 1.820 _pdbx_phasing_MR.d_res_low_rotation 68.930 _pdbx_phasing_MR.d_res_high_translation 1.820 _pdbx_phasing_MR.d_res_low_translation 68.930 _pdbx_phasing_MR.packing ? _pdbx_phasing_MR.reflns_percent_rotation ? _pdbx_phasing_MR.reflns_percent_translation ? _pdbx_phasing_MR.sigma_F_rotation ? _pdbx_phasing_MR.sigma_F_translation ? _pdbx_phasing_MR.sigma_I_rotation ? _pdbx_phasing_MR.sigma_I_translation ? # _phasing.method MR # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? BUSTER-TNT ? ? ? 'BUSTER 2.10.2' 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? iMOSFLM ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? SCALA ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? 2.5.5 4 ? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.15 5 # 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 ALA A 88 ? ? -172.88 -178.72 2 1 TYR A 99 ? ? -152.44 76.11 3 1 ASN A 100 B ? -104.45 42.88 4 1 ASP A 173 ? ? 74.14 -3.12 5 1 GLN B 8 ? ? -19.45 131.52 6 1 ALA B 51 ? ? 63.76 -34.20 7 1 ALA B 84 ? ? -175.14 -179.72 8 1 ASN B 190 ? ? -106.24 -67.37 9 1 SER C 97 ? ? -155.05 -21.90 # loop_ _pdbx_distant_solvent_atoms.id _pdbx_distant_solvent_atoms.PDB_model_num _pdbx_distant_solvent_atoms.auth_atom_id _pdbx_distant_solvent_atoms.label_alt_id _pdbx_distant_solvent_atoms.auth_asym_id _pdbx_distant_solvent_atoms.auth_comp_id _pdbx_distant_solvent_atoms.auth_seq_id _pdbx_distant_solvent_atoms.PDB_ins_code _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance _pdbx_distant_solvent_atoms.neighbor_ligand_distance 1 1 O ? A HOH 650 ? 6.45 . 2 1 O ? A HOH 651 ? 6.91 . 3 1 O ? A HOH 652 ? 6.94 . 4 1 O ? A HOH 653 ? 7.08 . 5 1 O ? A HOH 654 ? 7.49 . 6 1 O ? A HOH 655 ? 7.99 . 7 1 O ? A HOH 656 ? 8.36 . 8 1 O ? B HOH 734 ? 6.55 . 9 1 O ? B HOH 735 ? 6.57 . 10 1 O ? B HOH 736 ? 6.67 . 11 1 O ? B HOH 737 ? 6.79 . 12 1 O ? B HOH 738 ? 7.33 . 13 1 O ? B HOH 739 ? 8.25 . 14 1 O ? B HOH 740 ? 8.46 . 15 1 O ? B HOH 741 ? 8.62 . 16 1 O ? C HOH 886 ? 5.97 . 17 1 O ? C HOH 887 ? 6.50 . 18 1 O ? C HOH 888 ? 6.93 . 19 1 O ? C HOH 889 ? . 6.94 # _pdbx_unobs_or_zero_occ_atoms.id 1 _pdbx_unobs_or_zero_occ_atoms.PDB_model_num 1 _pdbx_unobs_or_zero_occ_atoms.polymer_flag N _pdbx_unobs_or_zero_occ_atoms.occupancy_flag 1 _pdbx_unobs_or_zero_occ_atoms.auth_asym_id C _pdbx_unobs_or_zero_occ_atoms.auth_comp_id MAN _pdbx_unobs_or_zero_occ_atoms.auth_seq_id 607 _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code ? _pdbx_unobs_or_zero_occ_atoms.auth_atom_id O2 _pdbx_unobs_or_zero_occ_atoms.label_alt_id ? _pdbx_unobs_or_zero_occ_atoms.label_asym_id E _pdbx_unobs_or_zero_occ_atoms.label_comp_id MAN _pdbx_unobs_or_zero_occ_atoms.label_seq_id 7 _pdbx_unobs_or_zero_occ_atoms.label_atom_id O2 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _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 1 Y 1 A CYS 128 ? A CYS 139 2 1 Y 1 A GLY 129 ? A GLY 140 3 1 Y 1 A ASP 130 ? A ASP 141 4 1 Y 1 A THR 131 ? A THR 142 5 1 Y 1 A THR 132 ? A THR 143 # _pdbx_audit_support.funding_organization 'National Institutes of Health/National Institute Of Allergy and Infectious Diseases' _pdbx_audit_support.country 'United States' _pdbx_audit_support.grant_number AI-109740 _pdbx_audit_support.ordinal 1 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 'CHLORIDE ION' CL 5 N-ACETYL-D-GLUCOSAMINE NAG 6 BETA-D-MANNOSE BMA 7 ALPHA-D-MANNOSE MAN 8 water HOH #