<?xml version="1.0" encoding="iso-8859-1"?>
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<!--     URI(tm) Universal Research Interchange Format             -->
<!--     Document Type Definition DTD                              -->
<!--                                                               -->
<!-- ************************************************************* -->
<!-- This document defines an XML-compliant DTD for the            -->
<!-- representation and display of protein sequence information.   -->
<!-- ************************************************************* -->
<!-- Author:Jing Zhang                                             -->
<!-- date:04/02/2004                                               -->
<!-- ************************************************************* -->
<!-- validate here: http://msdn.microsoft.com/downloads/samples/   -->
<!--   internet/default.asp?url=/downloads/samples/internet/xml/   -->
<!--   xml_validator/default.asp                                   -->
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<!--***************************************************************-->
<!--    The root element is URI_protein                            -->
<!--***************************************************************-->

<!DOCTYPE  URI_protein [
<!ELEMENT URI_protein (attributes?,annotation?,seq_data?,sites?,crystal_cell?,orig_matrices?,model_atoms?, connections?,bookkeep_information?)>
<!ATTLIST URI_protein pdb_id CDATA #REQUIRED>

<!--****************************************************************-->
<!--The attributes element includes the content of HEADER,OBSLTE,   --> 
<!--TITLE,CAVEAT,COMPND,SOURCE,KEYWDS,EXPWDS in PDB  file           -->
<!--****************************************************************-->

<!ELEMENT attributes (header*,deletion*,titles*,error_warn*,compounds*,sources*,keywords*)>
<!ATTLIST attributes pdb_id CDATA #IMPLIED>

<!ELEMENT header  EMPTY>
<!ATTLIST header  classification  CDATA #IMPLIED>
<!ATTLIST header  deposition_date  CDATA #IMPLIED >
<!ATTLIST header  pdb_id CDATA #IMPLIED>

<!ELEMENT deletion (dele_date*,auth_pdb_id*,replace_pdb_ids* )>
<!ELEMENT dele_date (#PCDATA)> 
<!ELEMENT auth_pdb_id (#PCDATA)><!--auth_pdb_id-->
<!ELEMENT replace_pdb_ids (replace_pdb_id*)>
<!ELEMENT replace_pdb_id (#PCDATA)>
<!ATTLIST replace_pdb_id deletion_entry_id  CDATA #REQUIRED ><!--the order num-->

<!ELEMENT titles (title*)  >
<!ATTLIST titles  pdb_id CDATA #IMPLIED>
<!ELEMENT title (#PCDATA) >
<!ATTLIST title  title_entry_id CDATA #REQUIRED>

<!ELEMENT error_warn (#PCDATA) >
<!ATTLIST error_warn  pdb_id CDATA #IMPLIED>

<!ELEMENT compounds (compound*)>
<!ATTLIST compounds pdb_id CDATA #IMPLIED>
<!ELEMENT compound  (#PCDATA )>
<!ATTLIST compound compound_entry_id CDATA #REQUIRED>

<!ELEMENT sources (source*)>
<!ATTLIST sources pdb_id CDATA #IMPLIED>
<!ELEMENT source  (#PCDATA)>
<!ATTLIST source source_entry_id CDATA  #REQUIRED>

<!ELEMENT keywords (#PCDATA)>
<!ATTLIST keywords pdb_id CDATA #IMPLIED>

<!--****************************************************************-->
<!--The annotation element includes the content of EXPDTA,AUTHOR    -->
<!--REVDAT,SPRSDE,JRNL,REMRKS in PDb file                           -->
<!--****************************************************************-->


<!ELEMENT annotation (experiment_method*, annotation_authors*,revision_dates*,superseded_entry*,remarks*)>
<!ATTLIST  annotation pdb_id CDATA #IMPLIED>

<!ELEMENT experiment_method (#PCDATA)>
<!ATTLIST experiment_method pdb_id CDATA #IMPLIED>

<!ELEMENT annotation_authors (author*)>
<!ATTLIST annotation_authors pdb_id CDATA #IMPLIED>
<!ELEMENT author EMPTY>
<!ATTLIST author author_entry_id  CDATA #REQUIRED>
<!ATTLIST author author_name CDATA #IMPLIED>

<!ELEMENT revision_dates (revision_date*)>
<!ATTLIST  revision_dates pdb_id CDATA #IMPLIED>
<!ELEMENT revision_date (revision_record_names*)>
<!ATTLIST  revision_date  revision_date_id CDATA #REQUIRED>
<!ATTLIST  revision_date  revision_date CDATA #IMPLIED>
<!ATTLIST  revision_date  revision_pdb_id CDATA #IMPLIED>
<!ATTLIST  revision_date  revision_type CDATA #IMPLIED>

<!ELEMENT  revision_record_names (revision_record_name*)>
<!ELEMENT  revision_record_name  EMPTY>
<!ATTLIST  revision_record_name record_name_entry_id CDATA #REQUIRED>
<!ATTLIST  revision_record_name record_name CDATA #IMPLIED>

<!ELEMENT superseded_entry (superseded_date*, superseded_pdb_ids*)>
<!ATTLIST superseded_entry pdb_id CDATA #IMPLIED>
<!ELEMENT superseded_date (#PCDATA)>
<!ELEMENT superseded_pdb_ids (superseded_pdb_id*)>
<!ELEMENT superseded_pdb_id (#PCDATA)>
<!ATTLIST superseded_pdb_id supersed_entry_id  CDATA #REQUIRED >

<!ELEMENT remarks (remark*)>
<!ATTLIST  remarks pdb_id CDATA #IMPLIED>


<!ELEMENT remark (ref_citations*,resolutions*,refinements*,format_versions*,warnings*,other_remarks*)>
<!ATTLIST  remark pdb_id CDATA #IMPLIED>
<!ATTLIST  remark remark_id CDATA #REQUIRED>

<!ELEMENT ref_citations (ref_citation*)>
<!ATTLIST ref_citations remark_id CDATA #FIXED "1">
<!ATTLIST ref_citations remark_type   CDATA #FIXED "references" >

<!ELEMENT ref_citation (ref_citations_authors*, ref_citations_title*,editors*,to_be_pulished*,journal_abbrev*,journal_vol*,first_page*,year*,publishers*,journal_id_ASTM*,country*,journal_id_ISSN*,journal_id_ISBN*,ccdc_pdb_code*)><!-- remark_id =1-->
<!ATTLIST  ref_citation remark_id CDATA #FIXED "1">
<!ATTLIST  ref_citation citation_id CDATA #REQUIRED><!--primary for JRNL,integer forothers-->
<!ATTLIST  ref_citation remark_type   CDATA #FIXED "references" >

<!ELEMENT ref_citations_authors (#PCDATA)>
<!ELEMENT ref_citations_title (#PCDATA)>
<!ELEMENT editors (#PCDATA)>
<!ELEMENT to_be_pulished EMPTY>
<!ATTLIST to_be_pulished publish_type CDATA #FIXED "to_be_pulished" >
<!ELEMENT journal_abbrev (#PCDATA)>
<!ELEMENT journal_vol (#PCDATA)>
<!ELEMENT first_page (#PCDATA)>
<!ELEMENT year (#PCDATA)>
<!ELEMENT publishers (#PCDATA)>
<!ELEMENT journal_id_ASTM (#PCDATA)>
<!ELEMENT country (#PCDATA)>
<!ELEMENT journal_id_ISSN (#PCDATA)>
<!ELEMENT journal_id_ISBN (#PCDATA)>
<!ELEMENT ccdc_pdb_code (#PCDATA)><!--could be 0530 for unpub or others-->


<!ELEMENT resolutions (resolution*)><!-- remark_id =2-->
<!ATTLIST  resolutions pdb_id CDATA #IMPLIED>
<!ATTLIST  resolutions remark_id CDATA #FIXED "2">
<!ATTLIST  resolutions remark_type CDATA #FIXED "resolution" >

<!ELEMENT resolution (resolution_value*,angstorms*,resolution_detail*)>
<!ATTLIST  resolution resolution_id CDATA #IMPLIED><!--the order num-->
<!ATTLIST  resolution resolution_no_applicable (True|False) "False" >
<!ELEMENT  resolution_value (#PCDATA)>
<!ELEMENT  angstorms (#PCDATA)>
<!ELEMENT  resolution_detail (#PCDATA)>



<!ELEMENT refinements (refinement*)><!-- remark_id =3-->
<!ATTLIST  refinements pdb_id CDATA #IMPLIED>
<!ATTLIST  refinements remark_id CDATA #FIXED "3">
<!ATTLIST  refinements remark_type CDATA #FIXED "refinements" >


<!ELEMENT refinement (diffraction_data*,no_diffraction_data*)>
<!ATTLIST refinement refinement_entry_id CDATA #REQUIRED>
<!ATTLIST refinement refinement_type (DIFFRACTION|NON-DIFFRACTION) #IMPLIED>


<!ELEMENT diffraction_data (diff_refinement_authors*,data_used*,fit_to_data_used*,fit_highest_resolution*,fit_agree_mod?,num_non-hydro_atom*,wilson_b_val_fcalc*,b_value*,estimated_coordinate_error*,cv_coordinate_error*,mod_refinements*,rms_deviation*,incorrect_chiral_center_count*,bulk_solvent_mod*,res_library*,stereochem_target_val*,isotropic_therm_mod*,isotropic_therm_restraints*,ncs_mod*,ncs_restraints*,parameter_files*,topology_files*,other_refinement*)>
<!ATTLIST diffraction_data refinement_entry_id CDATA #REQUIRED>
<!ATTLIST diffraction_data refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>

<!ELEMENT diff_refinement_authors (#PCDATA)>
<!ELEMENT data_used (high_resolution*,low_resolution*,data_cutoff*,cutoff_high*,cutoff_low*,completeness*,num_reflections*,cross_v_method*,data_free_r_test*)>
<!ATTLIST data_used refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST data_used refinement_entry_id CDATA #REQUIRED>
<!ELEMENT high_resolution (#PCDATA)>
<!ELEMENT low_resolution (#PCDATA)>
<!ELEMENT data_cutoff (#PCDATA)>
<!ELEMENT cutoff_high (#PCDATA)>
<!ELEMENT cutoff_low (#PCDATA)>
<!ELEMENT completeness (#PCDATA)>
<!ELEMENT num_reflections (#PCDATA)>
<!ELEMENT cross_v_method (#PCDATA)>
<!ELEMENT data_free_r_test (#PCDATA)>


<!ELEMENT fit_to_data_used (cv_method*,free_r_value_selection*,r_value_work_test*,r_value_work*,free_r_value*,free_r_value_size*,free_r_value_count*,free_r_value_error*,fit_num_reflection*)>
<!ATTLIST fit_to_data_used refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST fit_to_data_used refinement_entry_id CDATA #REQUIRED>
<!ATTLIST fit_to_data_used fit_to_data_used_type (fit_data|data_above_sigma_cutoff|data_all_no_sigma_cutoff) #REQUIRED>
<!--fit_data for x-plor,others for tnt-->

<!ELEMENT cv_method (#PCDATA)>
<!ELEMENT free_r_value_selection (#PCDATA)>
<!ELEMENT r_value_work_test (#PCDATA)>
<!ELEMENT r_value_work  (#PCDATA)>
<!ELEMENT free_r_value (#PCDATA)>
<!ELEMENT free_r_value_size (#PCDATA)>
<!ELEMENT free_r_value_count (#PCDATA)>
<!ELEMENT free_r_value_error (#PCDATA)>
<!ELEMENT fit_num_reflection (#PCDATA)>

<!ELEMENT fit_highest_resolution (num_bins*,bin_high_resolution*,bin_low_resolution*,bin_completeness*,bin_reflections*,bin_r_value*,bin_free_r_value*,bin_free_r_value_size*,bin_free_r_value_count*,bin_free_r_value_error*)>
<!ATTLIST fit_highest_resolution refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST fit_highest_resolution refinement_entry_id CDATA #REQUIRED>

<!ELEMENT num_bins (#PCDATA)>
<!ELEMENT bin_high_resolution (#PCDATA)>
<!ELEMENT bin_low_resolution (#PCDATA)>
<!ELEMENT bin_completeness (#PCDATA)>
<!ELEMENT bin_reflections (#PCDATA)>
<!ELEMENT bin_r_value (#PCDATA)>
<!ELEMENT bin_free_r_value (#PCDATA)>
<!ELEMENT bin_free_r_value_size (#PCDATA)>
<!ELEMENT bin_free_r_value_count (#PCDATA)>
<!ELEMENT bin_free_r_value_error (#PCDATA)>

<!ELEMENT fit_agree_mod (agree_r_value_work_test*,agree_r_value_work*,agree_free_r_value*,agree_free_r_value_size*,agree_free_r_value_count*,agree_num_reflection*)>
<!ATTLIST fit_agree_mod refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST fit_agree_mod refinement_entry_id CDATA #REQUIRED>
<!ATTLIST fit_agree_mod  agree_data_type (all|F_gt_4SIG) "all">

<!ELEMENT agree_r_value_work_test (#PCDATA)>
<!ELEMENT agree_r_value_work  (#PCDATA)>
<!ELEMENT agree_free_r_value (#PCDATA)>
<!ELEMENT agree_free_r_value_size (#PCDATA)>
<!ELEMENT agree_free_r_value_count (#PCDATA)>
<!ELEMENT agree_num_reflection (#PCDATA)>


<!ELEMENT num_non-hydro_atom (non_hydro_protein_atom*,non_hydro_nucleic_atom*,non_hydro_heterogen_atom*,non_hydro_solvent_atom*,non_hydro_other_atom*)>
<!ATTLIST num_non-hydro_atom refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST num_non-hydro_atom refinement_entry_id CDATA #REQUIRED>

<!ELEMENT non_hydro_protein_atom (#PCDATA)>
<!ELEMENT non_hydro_nucleic_atom (#PCDATA)>
<!ELEMENT non_hydro_heterogen_atom (#PCDATA)>
<!ELEMENT non_hydro_solvent_atom (#PCDATA)>
<!ELEMENT non_hydro_other_atom (#PCDATA)>

<!ELEMENT wilson_b_val_fcalc (#PCDATA)>

<!ELEMENT b_value (wilson_plot*,mean_b_value*,anisotropic_b_values*)>
<!ATTLIST b_value refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST b_value refinement_entry_id CDATA #REQUIRED>

<!ELEMENT wilson_plot (#PCDATA)>
<!ELEMENT mean_b_value (#PCDATA)>
<!ELEMENT anisotropic_b_values (b11*,b22*,b33*,b12*,b13*,b23*)>
<!ELEMENT b11 (#PCDATA)>
<!ELEMENT b22 (#PCDATA)>
<!ELEMENT b33 (#PCDATA)>
<!ELEMENT b12 (#PCDATA)>
<!ELEMENT b13 (#PCDATA)>
<!ELEMENT b23 (#PCDATA)>

<!ELEMENT estimated_coordinate_error (esd_luzzati_plot*,esd_sigmaa*,esd_low_resolutin_cutoff*)>
<!ATTLIST estimated_coordinate_error refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST estimated_coordinate_error refinement_entry_id CDATA #REQUIRED>
<!ELEMENT esd_luzzati_plot (#PCDATA)>
<!ELEMENT esd_sigmaa (#PCDATA)>
<!ELEMENT esd_low_resolutin_cutoff (#PCDATA)>

<!ELEMENT cv_coordinate_error (esd_cv_luzzati_plot*,esd_cv_sigmaa*)>
<!ATTLIST cv_coordinate_error refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST cv_coordinate_error refinement_entry_id CDATA #REQUIRED>
<!ELEMENT esd_cv_luzzati_plot (#PCDATA)>
<!ELEMENT esd_cv_sigmaa (#PCDATA)>

<!--for shelxl-->
<!ELEMENT mod_refinements (occup_sum_non_hydro*,occup_sum_hydro*,num_disorder_resd*,num_least_squa_para*,num_restaints*)>
<!ATTLIST mod_refinements refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST mod_refinements refinement_entry_id CDATA #REQUIRED>
<!ELEMENT occup_sum_non_hydro (#PCDATA)>
<!ELEMENT occup_sum_hydro (#PCDATA)>
<!ELEMENT num_disorder_resd (#PCDATA)>
<!ELEMENT num_least_squa_para (#PCDATA)>
<!ELEMENT num_restaints (#PCDATA)>


<!ELEMENT rms_deviation (rms_bond_length*,rms_bond_angl*,rms_dihedral_angl*,rms_improper_angl*,dis_restraints*,plane_restraints*,c-center_restraints*,non-bonded_restraints*,conf_torsion_ang_restraints*,angle_distances*,similar_dis_no_target_value*,dis_restraint_plane*,zero_chiral_vol*,non_zero_chiral_vol*,anti_bump_dis*,rigid_bond_adp*,similar_adp*,isotropic_adp*,torsion_angles*,pseudo_rota_ang*,tri_carbon_plane*,general_plane*,isotrop_thermal_factors*,non_bonded_contacts*)>
<!ATTLIST rms_deviation refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST rms_deviation refinement_entry_id CDATA #REQUIRED>
<!ATTLIST rms_deviation rms_deviation_type (IDEAL_VALUE|RESTRAINT_TARGET_VALUE) #REQUIRED>

<!--for x-plor-->
<!ELEMENT rms_bond_length ANY>
<!--for tnt, not content but there attr. for x-por and shelxl, CDATAcontent, no attr -->
<!ATTLIST rms_bond_length rms CDATA #IMPLIED>
<!ATTLIST rms_bond_length sigma CDATA #IMPLIED>
<!ATTLIST rms_bond_length count CDATA #IMPLIED>

<!--for tnt, not content but there attr. for x-por , CDATAcontent, no attr -->
<!ELEMENT rms_bond_angl ANY>
<!ATTLIST rms_bond_angl rms CDATA #IMPLIED>
<!ATTLIST rms_bond_angl sigma CDATA #IMPLIED>
<!ATTLIST rms_bond_angl count CDATA #IMPLIED>

<!ELEMENT rms_dihedral_angl (#PCDATA)>
<!ELEMENT rms_improper_angl (#PCDATA)>

<!--for nuclsq and pro.ccp4,profft,gpr-->
 
<!ELEMENT dis_restraints (sugar_bond_dis*,sugar_bond_ang_dis*,phosphate_bond_dis*,phosphate_bond_ang_dis_h_bond*,bond_length*,ang_dis*,intraplanar_1_4_dis*,h_bond_metal_coordination*)>
<!ELEMENT sugar_bond_dis EMPTY>
<!ATTLIST sugar_bond_dis rms CDATA #IMPLIED>
<!ATTLIST sugar_bond_dis sigma CDATA #IMPLIED>

<!ELEMENT sugar_bond_ang_dis EMPTY >
<!ATTLIST sugar_bond_ang_dis rms CDATA #IMPLIED>
<!ATTLIST sugar_bond_ang_dis sigma CDATA #IMPLIED>

<!ELEMENT phosphate_bond_dis EMPTY>
<!ATTLIST phosphate_bond_dis rms CDATA #IMPLIED>
<!ATTLIST phosphate_bond_dis sigma CDATA #IMPLIED>

<!ELEMENT phosphate_bond_ang_dis_h_bond EMPTY >
<!ATTLIST phosphate_bond_ang_dis_h_bond rms CDATA #IMPLIED>
<!ATTLIST phosphate_bond_ang_dis_h_bond sigma CDATA #IMPLIED>

<!ELEMENT bond_length EMPTY>
<!ATTLIST bond_length rms CDATA #IMPLIED>
<!ATTLIST bond_length sigma CDATA #IMPLIED>

<!ELEMENT ang_dis EMPTY>
<!ATTLIST ang_dis rms CDATA #IMPLIED>
<!ATTLIST ang_dis sigma CDATA #IMPLIED>

<!ELEMENT intraplanar_1_4_dis EMPTY>
<!ATTLIST intraplanar_1_4_dis rms CDATA #IMPLIED>
<!ATTLIST intraplanar_1_4_dis sigma CDATA #IMPLIED>

<!ELEMENT h_bond_metal_coordination EMPTY>
<!ATTLIST h_bond_metal_coordination rms CDATA #IMPLIED>
<!ATTLIST h_bond_metal_coordination sigma CDATA #IMPLIED>


<!ELEMENT plane_restraints EMPTY>
<!ATTLIST plane_restraints rms CDATA #IMPLIED>
<!ATTLIST plane_restraints sigma CDATA #IMPLIED>

<!ELEMENT c-center_restraints EMPTY>
<!ATTLIST c-center_restraints rms CDATA #IMPLIED>
<!ATTLIST c-center_restraints sigma CDATA #IMPLIED>

<!ELEMENT non-bonded_restraints (single_torsion_contact*,multi_torsion_contact*,single_torsion*,multi_torsion*,h_bond_xy*,h_bond_xhy*)>
<!ELEMENT single_torsion_contact EMPTY>
<!ATTLIST single_torsion_contact rms CDATA #IMPLIED>
<!ATTLIST single_torsion_contact sigma CDATA #IMPLIED>

<!ELEMENT multi_torsion_contact EMPTY>
<!ATTLIST multi_torsion_contact rms CDATA #IMPLIED>
<!ATTLIST multi_torsion_contact sigma CDATA #IMPLIED>

<!ELEMENT single_torsion EMPTY>
<!ATTLIST single_torsion rms CDATA #IMPLIED>
<!ATTLIST single_torsion sigma CDATA #IMPLIED>

<!ELEMENT multi_torsion EMPTY>
<!ATTLIST multi_torsion rms CDATA #IMPLIED>
<!ATTLIST multi_torsion sigma CDATA #IMPLIED>

<!ELEMENT h_bond_xy EMPTY>
<!ATTLIST h_bond_xy rms CDATA #IMPLIED>
<!ATTLIST h_bond_xy sigma CDATA #IMPLIED>

<!ELEMENT h_bond_xhy EMPTY>
<!ATTLIST h_bond_xhy rms CDATA #IMPLIED>
<!ATTLIST h_bond_xhy sigma CDATA #IMPLIED>

<!--for pro.ccp4,profft,gpr-->

<!ELEMENT conf_torsion_ang_restraints (specified_degree*,planar_degree*,staggered_degree*,transverse_degree*)>
<!ELEMENT specified_degree EMPTY>
<!ATTLIST specified_degree rms CDATA #IMPLIED>
<!ATTLIST specified_degree sigma CDATA #IMPLIED>

<!ELEMENT planar_degree EMPTY>
<!ATTLIST planar_degree rms CDATA #IMPLIED>
<!ATTLIST planar_degree sigma CDATA #IMPLIED>

<!ELEMENT staggered_degree EMPTY>
<!ATTLIST staggered_degree rms CDATA #IMPLIED>
<!ATTLIST staggered_degree sigma CDATA #IMPLIED>

<!ELEMENT transverse_degree EMPTY>
<!ATTLIST transverse_degree rms CDATA #IMPLIED>
<!ATTLIST transverse_degree sigma CDATA #IMPLIED>

<!--for shelxl-->

<!ELEMENT angle_distances (#PCDATA)>
<!ELEMENT similar_dis_no_target_value (#PCDATA)>
<!ELEMENT dis_restraint_plane (#PCDATA)>
<!ELEMENT zero_chiral_vol (#PCDATA)>
<!ELEMENT non_zero_chiral_vol (#PCDATA)>
<!ELEMENT anti_bump_dis (#PCDATA)>
<!ELEMENT rigid_bond_adp (#PCDATA)>
<!ELEMENT similar_adp (#PCDATA)>
<!ELEMENT isotropic_adp (#PCDATA)>

<!--for tnt-->
<!ELEMENT torsion_angles EMPTY>
<!ATTLIST torsion_angles rms CDATA #IMPLIED>
<!ATTLIST torsion_angles sigma CDATA #IMPLIED>
<!ATTLIST torsion_angles count CDATA #IMPLIED>

<!ELEMENT pseudo_rota_ang EMPTY>
<!ATTLIST pseudo_rota_ang rms CDATA #IMPLIED>
<!ATTLIST pseudo_rota_ang sigma CDATA #IMPLIED>
<!ATTLIST pseudo_rota_ang count CDATA #IMPLIED>

<!ELEMENT tri_carbon_plane EMPTY>
<!ATTLIST tri_carbon_plane rms CDATA #IMPLIED>
<!ATTLIST tri_carbon_plane sigma CDATA #IMPLIED>
<!ATTLIST tri_carbon_plane count CDATA #IMPLIED>

<!ELEMENT general_plane EMPTY>
<!ATTLIST general_plane rms CDATA #IMPLIED>
<!ATTLIST general_plane sigma CDATA #IMPLIED>
<!ATTLIST general_plane count CDATA #IMPLIED>

<!ELEMENT isotrop_thermal_factors EMPTY>
<!ATTLIST isotrop_thermal_factors rms CDATA #IMPLIED>
<!ATTLIST isotrop_thermal_factors sigma CDATA #IMPLIED>
<!ATTLIST isotrop_thermal_factors count CDATA #IMPLIED>

<!ELEMENT non_bonded_contacts EMPTY>
<!ATTLIST non_bonded_contacts rms CDATA #IMPLIED>
<!ATTLIST non_bonded_contacts sigma CDATA #IMPLIED>
<!ATTLIST non_bonded_contacts count CDATA #IMPLIED>

<!ELEMENT incorrect_chiral_center_count (#PCDATA)>

<!ELEMENT bulk_solvent_mod (method_used*,ksol*,bsol*)>
<!ATTLIST bulk_solvent_mod refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST bulk_solvent_mod refinement_entry_id CDATA #REQUIRED>
<!ELEMENT method_used (#PCDATA)>
<!ELEMENT ksol (#PCDATA)>
<!ELEMENT bsol (#PCDATA)>

<!ELEMENT res_library (stereochemistry*,iso_thermal_restraints*)>
<!ATTLIST res_library refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST res_library refinement_entry_id CDATA #REQUIRED>
<!ELEMENT stereochemistry (#PCDATA)>
<!ELEMENT iso_thermal_restraints (#PCDATA)>

<!ELEMENT stereochem_target_val (target_val*,special_case*)>
<!ATTLIST stereochem_target_val refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST stereochem_target_val refinement_entry_id CDATA #REQUIRED>
<!ELEMENT target_val (#PCDATA)>
<!ELEMENT special_case (#PCDATA)>


<!ELEMENT isotropic_therm_mod (#PCDATA)>

<!ELEMENT isotropic_therm_restraints (main_chain_bond*,main_chain_ang*,side_chain_bond*,side_chain_ang*,sugar_bond*,sugar_bond_ang*,phosphate_bond*,phosphate_bond_ang_h_bond*)>
<!ATTLIST isotropic_therm_restraints refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST isotropic_therm_restraints refinement_entry_id CDATA #REQUIRED>
<!ELEMENT main_chain_bond EMPTY >
<!ATTLIST main_chain_bond rms CDATA #IMPLIED>
<!ATTLIST main_chain_bond sigma CDATA #IMPLIED>

<!ELEMENT main_chain_ang EMPTY >
<!ATTLIST main_chain_ang rms CDATA #IMPLIED>
<!ATTLIST main_chain_ang sigma CDATA #IMPLIED>

<!ELEMENT side_chain_bond EMPTY >
<!ATTLIST side_chain_bond rms CDATA #IMPLIED>
<!ATTLIST side_chain_bond sigma CDATA #IMPLIED>

<!ELEMENT side_chain_ang EMPTY>
<!ATTLIST side_chain_ang rms CDATA #IMPLIED>
<!ATTLIST side_chain_ang sigma CDATA #IMPLIED>


<!-- for NUCLSQ-->
<!ELEMENT sugar_bond EMPTY>
<!ATTLIST sugar_bond rms CDATA #IMPLIED>
<!ATTLIST sugar_bond sigma CDATA #IMPLIED>

<!ELEMENT sugar_bond_ang EMPTY>
<!ATTLIST sugar_bond_ang rms CDATA #IMPLIED>
<!ATTLIST sugar_bond_ang sigma CDATA #IMPLIED>

<!ELEMENT phosphate_bond EMPTY>
<!ATTLIST phosphate_bond rms CDATA #IMPLIED>
<!ATTLIST phosphate_bond sigma CDATA #IMPLIED>

<!ELEMENT phosphate_bond_ang_h_bond EMPTY>
<!ATTLIST phosphate_bond_ang_h_bond rms CDATA #IMPLIED>
<!ATTLIST phosphate_bond_ang_h_bond sigma CDATA #IMPLIED>


<!ELEMENT ncs_mod (#PCDATA)>

<!ELEMENT ncs_restraints (groups*)>
<!ATTLIST ncs_restraints refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST ncs_restraints refinement_entry_id CDATA #REQUIRED>
<!ELEMENT groups (group*)>
<!ELEMENT group (positional?,b_factor?)>
<!ATTLIST group group_entry_id (1|2|3|4) #REQUIRED>
<!ELEMENT positional EMPTY >
<!ATTLIST positional rms CDATA #IMPLIED>
<!ATTLIST positional sigma_weight CDATA #IMPLIED>

<!ELEMENT b_factor EMPTY>
<!ATTLIST b_factor  rms CDATA #IMPLIED>
<!ATTLIST b_factor  sigma_weight CDATA #IMPLIED>


<!ELEMENT parameter_files (parameter_file*)>
<!ATTLIST parameter_files refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST parameter_files refinement_entry_id CDATA #REQUIRED>
<!ELEMENT parameter_file (#PCDATA)>
<!ATTLIST parameter_file parameter_file_entry_id (1|2|3|4|5|6) #REQUIRED>

<!ELEMENT topology_files (topology_file*)>
<!ATTLIST topology_files refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST topology_files refinement_entry_id CDATA #REQUIRED>
<!ELEMENT topology_file (#PCDATA)>
<!ATTLIST topology_file topology_file_entry_id (1|2|3|4|5|6) #REQUIRED>

<!ELEMENT other_refinement (#PCDATA)>
<!ATTLIST other_refinement refinement_type (X-PLOR|NUCLSQ|PROLSQ|CCP4|PROFFT|GPRLSA|SHELXL|TNT) #IMPLIED>
<!ATTLIST other_refinement refinement_entry_id CDATA #REQUIRED>

<!ELEMENT no_diffraction_data (no_diffra_prog*,no_diffra_author*,no_diffra_details*)>
<!ATTLIST no_diffraction_data refinement_type CDATA #FIXED "NON-DIFFRACTION">
<!ATTLIST no_diffraction_data refinement_entry_id CDATA #REQUIRED>
<!ELEMENT no_diffra_prog (#PCDATA)>
<!ELEMENT no_diffra_author (#PCDATA)>
<!ELEMENT no_diffra_details (#PCDATA)>
<!--end of remark_id=3-->

<!ELEMENT format_versions (format_version*)><!-- remark_id =4 -->
<!ATTLIST  format_versions pdb_id CDATA #IMPLIED>
<!ATTLIST  format_versions remark_id CDATA #FIXED "4">
<!ATTLIST  format_versions remark_type CDATA #FIXED "format_version">


<!ELEMENT format_version (#PCDATA)>
<!ATTLIST  format_version format_version_entry_id CDATA #REQUIRED>
<!ATTLIST  format_version format_version_num CDATA #IMPLIED>
<!ATTLIST  format_version format_version_date CDATA  #IMPLIED>


<!--end of remark_id=4-->


<!ELEMENT warnings (warning*)><!-- remark_id =5 -->
<!ATTLIST  warnings pdb_id CDATA #IMPLIED>
<!ATTLIST  warnings remark_id CDATA #FIXED "5">
<!ATTLIST  warnings remark_type CDATA #FIXED "warnings">


<!ELEMENT warning (#PCDATA)>
<!ATTLIST  warning warning_entry_id CDATA #REQUIRED>
<!--end of remark_id=5-->

<!ELEMENT other_remarks (other_remark*)><!-- remark_id >=100-->
<!ATTLIST   other_remarks pdb_id CDATA #IMPLIED>
<!ATTLIST   other_remarks remark_id CDATA #IMPLIED>
<!ATTLIST   other_remarks remark_type CDATA #FIXED "others" >

<!ELEMENT other_remark (#PCDATA)><!-- remark_id >=100-->
<!ATTLIST  other_remark other_remark_entry_id CDATA #REQUIRED>

<!ATTLIST   other_remark pdb_id CDATA #IMPLIED>
<!ATTLIST   other_remark remark_id CDATA #IMPLIED>
<!ATTLIST   other_remark remark_type CDATA #FIXED "others" >


<!--***************************************************************-->
<!--The seq_data element includes the content of primary           --> 
<!--structure(DBREF,SEDADV,SEQRES,MODRES), heterogen section(HET,  --> 
<!--HETNAM,HETSYN,FORMUL),secondary structure(HELIX,SHEET,TURN),   -->
<!--connectivity annotation(SSBOND,LINK,SLTBRG,CISPEP)             -->
<!--***************************************************************-->
<!ELEMENT seq_data (struct_refs*,sequences*,modification_resds*,non-polyer_seqs*,struct_helixes*,struct_sheets*,struct_turns*,bonds*,protein_cis_es*)>
<!ATTLIST  seq_data pdb_id CDATA #IMPLIED> 

<!ELEMENT struct_refs (db_struct_refs*, struct_refs_seq_difs*)>
<!ATTLIST   struct_refs pdb_id CDATA #IMPLIED>

<!ELEMENT db_struct_refs (db_struct_ref*)>
<!ATTLIST   db_struct_refs pdb_id CDATA #IMPLIED>

<!ELEMENT db_struct_ref (db_struct_ref_pdb_id*, db_struct_ref_seq_type*,db_struct_ref_seq_align_begin*,db_struct_ref_insertion_begin*,db_struct_ref_seq_align_end*, db_struct_ref_insertion_end*,db_struct_ref_db_name*,db_struct_ref_db_accession*,db_struct_ref_db_code*,db_struct_ref_auth_align_begin*,db_struct_ref_auth_insertion_begin*,db_struct_ref_auth_align_end*,db_struct_ref_auth_insertion_end*)>
<!ATTLIST   db_struct_ref  db_struct_ref_id CDATA  #REQUIRED ><!--the order num-->

<!ELEMENT db_struct_ref_pdb_id (#PCDATA)>
<!ELEMENT db_struct_ref_seq_type (#PCDATA)>
<!ELEMENT db_struct_ref_seq_align_begin (#PCDATA)>
<!ELEMENT db_struct_ref_insertion_begin (#PCDATA)>
<!ELEMENT db_struct_ref_seq_align_end (#PCDATA)>
<!ELEMENT db_struct_ref_insertion_end (#PCDATA)>

<!ELEMENT db_struct_ref_db_name (#PCDATA)>
<!ELEMENT db_struct_ref_db_accession (#PCDATA)>
<!ELEMENT db_struct_ref_db_code (#PCDATA)>

<!ELEMENT db_struct_ref_auth_align_begin (#PCDATA)>
<!ELEMENT db_struct_ref_auth_insertion_begin (#PCDATA)>

<!ELEMENT db_struct_ref_auth_align_end (#PCDATA)>
<!ELEMENT db_struct_ref_auth_insertion_end (#PCDATA)>


<!ELEMENT struct_refs_seq_difs (struct_ref_seq_dif*)>
<!ATTLIST struct_refs_seq_difs pdb_id CDATA #IMPLIED>

<!ELEMENT struct_ref_seq_dif (struct_ref_seq_pdb_id*, struct_ref_seq_aminoacid_id*, struct_ref_seq_pdb_strand_id*, struct_ref_seq_db_name*, struct_ref_seq_db_accession*, struct_ref_seq_details*)>
<!ATTLIST struct_ref_seq_dif  struct_ref_seq_dif_id  CDATA  #REQUIRED >
<!ATTLIST struct_ref_seq_dif seq_num  CDATA  #IMPLIED >

<!ELEMENT struct_ref_seq_pdb_id (#PCDATA)>
<!ELEMENT struct_ref_seq_aminoacid_id (#PCDATA)>
<!ELEMENT struct_ref_seq_pdb_strand_id (#PCDATA)>
<!ELEMENT struct_ref_seq_db_name (#PCDATA)>
<!ELEMENT struct_ref_seq_db_accession (#PCDATA)>
<!ELEMENT struct_ref_seq_details (#PCDATA)>


<!ELEMENT sequences (sequence*,footnotes*)>
<!ATTLIST sequences pdb_id CDATA #IMPLIED>

<!ELEMENT sequence (wholesequence*,seq_residues*)>
<!ATTLIST sequence seq_id CDATA  #REQUIRED> 
<!ATTLIST sequence seq_type  CDATA #IMPLIED ><!--chaintype-->
<!ATTLIST sequence num_resds  CDATA #IMPLIED >

<!ELEMENT wholesequence (one_letter_seq*, three_letter_seq*)>
<!ATTLIST wholesequence seq_id CDATA  #IMPLIED > 
<!ATTLIST wholesequence seq_type  CDATA #IMPLIED >

<!ELEMENT one_letter_seq  (#PCDATA)>
<!ATTLIST one_letter_seq  seq_id CDATA  #IMPLIED>
<!ELEMENT three_letter_seq  (#PCDATA)>
<!ATTLIST three_letter_seq  seq_id CDATA  #IMPLIED>


<!ELEMENT seq_residues (seq_residue*)>
<!ATTLIST seq_residues seq_id CDATA  #IMPLIED > 
<!ATTLIST seq_residues seq_type  CDATA #IMPLIED >
<!ATTLIST seq_residues num_resds  CDATA #IMPLIED >

<!ELEMENT seq_residue (residue_name*,one_letter_name*,three_letter_name*, phi_angle*,psi_angle*,residue_weight*, residue_formula*,hydrophobicity_scale*)>
<!ATTLIST seq_residue  residue_id  CDATA #REQUIRED><!--# order num-->
<!ATTLIST seq_residue seq_id CDATA  #IMPLIED > 
<!ATTLIST seq_residue seq_type  CDATA #IMPLIED >
<!ATTLIST seq_residue num_resds  CDATA #IMPLIED >

<!ELEMENT residue_name (#PCDATA ) ><!--# original name-->

<!ELEMENT one_letter_name (#PCDATA )><!--#1letter-->
<!ELEMENT three_letter_name (#PCDATA ) > <!--#3letter-->
<!ELEMENT phi_angle (#PCDATA )><!--phi-->
<!ELEMENT psi_angle (#PCDATA )><!--psi-->
<!ELEMENT residue_weight  (#PCDATA)><!--which one-->
<!ELEMENT residue_formula  (#PCDATA)>
<!ELEMENT hydrophobicity_scale (#PCDATA) > <!--type-->
<!ATTLIST hydrophobicity_scale hydro_type CDATA  #IMPLIED>

<!ELEMENT footnotes (footnote*)>
<!ATTLIST footnotes pdb_id CDATA #IMPLIED>

<!ELEMENT footnote (#PCDATA)>
<!ATTLIST footnote  footnote_id  CDATA  #REQUIRED > 

<!ELEMENT modification_resds ( modification_resd*)>
<!ATTLIST modification_resds pdb_id CDATA #IMPLIED>
<!ELEMENT modification_resd (modification_current_resds*,modification_seq_type*,modification_seq_id*, modification_insertion_code*,modification_standard_resds*, modification_details*)>
<!ATTLIST modification_resd entry_id CDATA #REQUIRED>

<!ELEMENT modification_current_resds (#PCDATA)>
<!ELEMENT modification_seq_type   (#PCDATA)>
<!ELEMENT modification_seq_id (#PCDATA)>
<!ELEMENT modification_insertion_code (#PCDATA)>
<!ELEMENT modification_standard_resds (#PCDATA)>
<!ELEMENT modification_details (#PCDATA)>



<!--non-polyer_seqs-->

<!ELEMENT non-polyer_seqs (hets?,hetnams?,hetsyns?,formuls?)>
<!ATTLIST non-polyer_seqs pdb_id CDATA #IMPLIED>

<!ELEMENT hets (het*)>
<!ATTLIST hets non-polyer_seqs_type CDATA #FIXED "HET">

<!ELEMENT het (pdb_het_id?,het_asym_id?,het_seq_id?,het_insertion_code?,het_num_hetatoms?,het_details?)>
<!ATTLIST het het_entry_id CDATA  #REQUIRED><!--1,2,3-->
<!ELEMENT pdb_het_id (#PCDATA) >
<!ELEMENT het_asym_id (#PCDATA) >
<!ELEMENT het_seq_id (#PCDATA) >
<!ELEMENT het_insertion_code (#PCDATA) >
<!ELEMENT het_num_hetatoms (#PCDATA) >
<!ELEMENT het_details (#PCDATA) >

<!ELEMENT hetnams (hetnam*)>
<!ATTLIST hetnams non-polyer_seqs_type CDATA #FIXED "HETNAM">

<!ELEMENT hetnam (pdb_hetnam_id?,hetnam_details?)>
<!ATTLIST hetnam hetnam_entry_id CDATA  #REQUIRED><!--order num-->
<!ELEMENT pdb_hetnam_id (#PCDATA) >
<!ELEMENT hetnam_details (#PCDATA) >

<!ELEMENT hetsyns (hetsyn*)>
<!ATTLIST hetsyns non-polyer_seqs_type CDATA #FIXED "HETSYN">

<!ELEMENT hetsyn (pdb_hetsyn_id?,hetsyn_details?)>
<!ATTLIST hetsyn hetsyn_entry_id CDATA  #REQUIRED><!--order num-->
<!ELEMENT pdb_hetsyn_id (#PCDATA) >
<!ELEMENT hetsyn_details (#PCDATA) >

<!ELEMENT formuls (formul*)>
<!ATTLIST formuls non-polyer_seqs_type CDATA #FIXED "FORMUL">

<!ELEMENT formul (for_num_component?,for_het_id?,for_details?)>
<!ATTLIST formul formul_entry_id CDATA  #REQUIRED><!--order num-->
<!ATTLIST formul is_water  (True|False) "False" >

<!ELEMENT for_num_component (#PCDATA) >
<!ELEMENT for_het_id (#PCDATA) >
<!ELEMENT for_details (#PCDATA) >

<!--end of non-poly-->


<!ELEMENT struct_helixes (struct_helix*)>
<!ATTLIST struct_helixes pdb_id CDATA #IMPLIED>

<!ELEMENT struct_helix (pdb_helix_id*, helix_begin_acid_id*, helix_begin_asym_id*, helix_begin_seq_id*, helix_end_acid_id*, helix_end_asym_id*, helix_end_seq_id*,helix_class*, struct_helix_details*,helix_length*)>
<!ATTLIST struct_helix struct_helix_id CDATA #REQUIRED><!--order num-->
<!ELEMENT pdb_helix_id (#PCDATA)> 

<!ELEMENT helix_begin_acid_id (#PCDATA)>
<!ELEMENT helix_begin_asym_id (#PCDATA)>
<!ELEMENT helix_begin_seq_id (#PCDATA)>
<!ELEMENT helix_end_acid_id (#PCDATA)>
<!ELEMENT helix_end_asym_id (#PCDATA)>
<!ELEMENT helix_end_seq_id (#PCDATA)>
<!ELEMENT helix_class (#PCDATA)>
<!ELEMENT struct_helix_details (#PCDATA)>
<!ELEMENT helix_length (#PCDATA)>




<!ELEMENT struct_sheets (struct_sheet*)>
<!ATTLIST struct_sheets pdb_id CDATA #IMPLIED>

<!ELEMENT struct_sheet (struct_sheet_num_strands*,struct_sheet_order*, struct_sheet_range*, struct_sheet_hbond*)>
<!ATTLIST struct_sheet  struct_sheet_id CDATA #REQUIRED >

<!ELEMENT struct_sheet_num_strands (#PCDATA)>
<!ATTLIST struct_sheet_num_strands struct_sheet_id CDATA #IMPLIED>

<!ELEMENT struct_sheet_order (sense*)>
<!ATTLIST struct_sheet_order struct_sheet_id  CDATA #IMPLIED>
<!ATTLIST struct_sheet_order range_id_1  CDATA #REQUIRED>
<!ATTLIST struct_sheet_order range_id_2  CDATA #REQUIRED>
<!ELEMENT sense (#PCDATA)>


<!ELEMENT struct_sheet_range (sheet_range_begin_acid_id*, sheet_range_begin_asym_id*, sheet_range_begin_seq_id*, sheet_range_end_acid_id*, sheet_range_end_asym_id*, sheet_range_end_seq_id*)>
<!ATTLIST struct_sheet_range struct_sheet_id  CDATA #IMPLIED>
<!ATTLIST struct_sheet_range range_id_1  CDATA #REQUIRED>

<!ELEMENT sheet_range_begin_acid_id (#PCDATA)>
<!ELEMENT sheet_range_begin_asym_id (#PCDATA)>
<!ELEMENT sheet_range_begin_seq_id (#PCDATA)>
<!ELEMENT sheet_range_end_acid_id (#PCDATA)>
<!ELEMENT sheet_range_end_asym_id (#PCDATA)>
<!ELEMENT sheet_range_end_seq_id (#PCDATA)>

<!ELEMENT struct_sheet_hbond (range_1_atom_id*,range_1_acid_id*,range_1_asym_id*,range_1_seq_id*,range_2_atom_id*,range_2_acid_id*,range_2_asym_id*,range_2_seq_id* )>
<!ATTLIST  struct_sheet_hbond struct_sheet_id  CDATA #IMPLIED>
<!ATTLIST  struct_sheet_hbond range_id_1  CDATA #REQUIRED>
<!ATTLIST  struct_sheet_hbond range_id_2  CDATA #REQUIRED>

<!ELEMENT range_1_atom_id (#PCDATA)>
<!ELEMENT range_1_acid_id (#PCDATA)>
<!ELEMENT range_1_asym_id (#PCDATA)>
<!ELEMENT range_1_seq_id (#PCDATA)>
<!ELEMENT range_2_atom_id (#PCDATA)>
<!ELEMENT range_2_acid_id (#PCDATA)>
<!ELEMENT range_2_asym_id (#PCDATA)>
<!ELEMENT range_2_seq_id (#PCDATA)>

<!ELEMENT struct_turns (struct_turn*)>
<!ATTLIST struct_turns pdb_id CDATA #IMPLIED>

<!ELEMENT struct_turn (pdb_turn_id*, turn_begin_acid_id*, turn_begin_asym_id*, turn_begin_seq_id*,turn_begin_insertion_code*, turn_end_acid_id*, turn_end_asym_id*, turn_end_seq_id*,turn_end_insertion_code*, turn_details*)>
<!ATTLIST struct_turn struct_turn_id CDATA #REQUIRED><!--order num-->

<!ELEMENT pdb_turn_id (#PCDATA)> 
<!ELEMENT turn_begin_acid_id (#PCDATA)>
<!ELEMENT turn_begin_asym_id (#PCDATA)>
<!ELEMENT turn_begin_seq_id (#PCDATA)>
<!ELEMENT turn_begin_insertion_code (#PCDATA)>

<!ELEMENT turn_end_acid_id (#PCDATA)>
<!ELEMENT turn_end_asym_id (#PCDATA)>
<!ELEMENT turn_end_seq_id (#PCDATA)>
<!ELEMENT turn_end_insertion_code (#PCDATA)>

<!ELEMENT turn_details (#PCDATA)>

<!ELEMENT bonds (bond*)>
<!ATTLIST bonds pdb_id CDATA #IMPLIED>

<!ELEMENT bond (bond_type*,part1_atom_name*,part1_location*,part1_chem_comp_id*,part1_auth_asym_id*,part1_seq_id*,part1_insertion_code*,hydro_atom_name*, hydro_location*,hydro_auth_asym_id*,hydro_seq_id*,hydro_insertion_code*,part2_atom_name*,part2_location*, part2_chem_comp_id*, part2_auth_asym_id*,part2_seq_id*,part2_insertion_code*,part1_symmetry*,part2_symmetry*)>
<!ATTLIST bond bond_id   CDATA  #REQUIRED > 

<!ELEMENT bond_type (#PCDATA)><!--4 type #SS,H,Link,Salt-->
<!ELEMENT part1_atom_name (#PCDATA)>
<!ELEMENT part1_location (#PCDATA)>
<!ELEMENT part1_chem_comp_id (#PCDATA)>
<!ELEMENT part1_auth_asym_id (#PCDATA)>

<!ELEMENT part1_seq_id (#PCDATA)><!--order num-->
<!ELEMENT part1_insertion_code (#PCDATA)>

<!ELEMENT hydro_atom_name (#PCDATA)>
<!ELEMENT hydro_location (#PCDATA)>
<!ELEMENT hydro_auth_asym_id (#PCDATA)>
<!ELEMENT hydro_seq_id (#PCDATA)>
<!ELEMENT hydro_insertion_code (#PCDATA)>


<!ELEMENT part2_atom_name (#PCDATA)>
<!ELEMENT part2_location (#PCDATA)>
<!ELEMENT part2_chem_comp_id (#PCDATA)>
<!ELEMENT part2_auth_asym_id (#PCDATA)>

<!ELEMENT part2_seq_id (#PCDATA)>
<!ELEMENT part2_insertion_code (#PCDATA)>

<!ELEMENT part1_symmetry (#PCDATA)>
<!ELEMENT part2_symmetry (#PCDATA)>


<!ELEMENT protein_cis_es (protein_cis*)>
<!ATTLIST protein_cis_es pdb_id CDATA #IMPLIED>
<!ELEMENT protein_cis (cis_part1_chem_comp_id*, cis_part1_auth_asym_id*, cis_part1_seq_id*,cis_part2_chem_comp_id*,  cis_part2_auth_asym_id*,cis_part2_seq_id*, cis_model_num*, cis_omega_angle*)>
<!ATTLIST protein_cis protein_cis_id CDATA  #REQUIRED > 

<!ELEMENT cis_part1_chem_comp_id (#PCDATA)>
<!ELEMENT cis_part1_auth_asym_id (#PCDATA)>
<!ELEMENT cis_part1_seq_id (#PCDATA)>

<!ELEMENT cis_part2_chem_comp_id (#PCDATA)>
<!ELEMENT cis_part2_auth_asym_id (#PCDATA)>
<!ELEMENT cis_part2_seq_id (#PCDATA)>
<!ELEMENT cis_model_num (#PCDATA)>
<!ELEMENT cis_omega_angle (#PCDATA)>


<!--****************************************************************-->
<!--    The site element includes the content of SITE               -->
<!--****************************************************************-->
<!ELEMENT sites (site*)>
<!ATTLIST sites pdb_id CDATA #IMPLIED>
<!ELEMENT site (site_name*, site_num_residues*, site_residues*)>
<!ATTLIST site site_id CDATA #REQUIRED><!--#first  column-->
<!ELEMENT site_name (#PCDATA)>
<!ELEMENT site_num_residues (#PCDATA)>
<!ELEMENT site_residues (site_residue*)>
<!ELEMENT site_residue (site_residue_name*, site_seq_type*, site_seq_id*, site_insertion_code*)>
<!ATTLIST site_residue record_id CDATA #REQUIRED>
<!ELEMENT site_residue_name (#PCDATA)>
<!ELEMENT site_seq_type (#PCDATA)>
<!ELEMENT site_seq_id (#PCDATA)>
<!ELEMENT site_insertion_code (#PCDATA)>

<!--****************************************************************-->
<!--The crystal_cell element includes the content of CRYST1         -->
<!--****************************************************************-->
<!ELEMENT crystal_cell (length_a*,length_b*,length_c*,angle_alpha*,angle_beta*,angle_gamma*,space_group_name_H_M*,Z_pdb*)>
<!ATTLIST  crystal_cell pdb_id CDATA #IMPLIED> 
<!ELEMENT length_a (#PCDATA)>
<!ELEMENT length_b (#PCDATA)>
<!ELEMENT length_c (#PCDATA)>
<!ELEMENT angle_alpha (#PCDATA)>
<!ELEMENT angle_beta (#PCDATA)>
<!ELEMENT angle_gamma (#PCDATA)>
<!ELEMENT space_group_name_H_M (#PCDATA)>
<!ELEMENT Z_pdb (#PCDATA)>

<!--****************************************************************-->
<!--    The org_matices element incudes the content of              -->
<!--    ORIGXn,SCALEn,MTRIXn,TVECT                                  -->
<!--****************************************************************-->

<!ELEMENT orig_matrices (origmatrix*,transfer_matrix*,struct_ncs_oper_matrices*,translation_vectors*)>
<!ATTLIST orig_matrices pdb_id CDATA #IMPLIED>

<!ELEMENT origmatrix (origx11*, origx12*, origx13*, origx21*, origx22*, origx23*, origx31*, origx32*, origx33*, origx_vector1*, origx_vector2*, origx_vector3*)>
<!ATTLIST origmatrix pdb_id CDATA #IMPLIED>
<!ELEMENT origx11 (#PCDATA)>
<!ELEMENT origx12 (#PCDATA)>
<!ELEMENT origx13 (#PCDATA)>
<!ELEMENT origx21 (#PCDATA)>
<!ELEMENT origx22 (#PCDATA)>
<!ELEMENT origx23 (#PCDATA)>
<!ELEMENT origx31 (#PCDATA)>
<!ELEMENT origx32 (#PCDATA)>
<!ELEMENT origx33 (#PCDATA)>
<!ELEMENT origx_vector1 (#PCDATA)>
<!ELEMENT origx_vector2 (#PCDATA)>
<!ELEMENT origx_vector3 (#PCDATA)>


<!ELEMENT transfer_matrix (transfer_matrix11*, transfer_matrix12*, transfer_matrix13*, transfer_matrix21*, transfer_matrix22*, transfer_matrix23*, transfer_matrix31*, transfer_matrix32*, transfer_matrix33*, transfer_vector1*, transfer_vector2*, transfer_vector3*)>
<!ATTLIST transfer_matrix pdb_id CDATA #IMPLIED>

<!ELEMENT transfer_matrix11 (#PCDATA)>
<!ELEMENT transfer_matrix12 (#PCDATA)>
<!ELEMENT transfer_matrix13 (#PCDATA)>
<!ELEMENT transfer_matrix21 (#PCDATA)>
<!ELEMENT transfer_matrix22 (#PCDATA)>
<!ELEMENT transfer_matrix23 (#PCDATA)>
<!ELEMENT transfer_matrix31 (#PCDATA)>
<!ELEMENT transfer_matrix32 (#PCDATA)>
<!ELEMENT transfer_matrix33 (#PCDATA)>
<!ELEMENT transfer_vector1 (#PCDATA)>
<!ELEMENT transfer_vector2 (#PCDATA)>
<!ELEMENT transfer_vector3 (#PCDATA)>


<!ELEMENT struct_ncs_oper_matrices ( struct_ncs_oper_matrix* )> 
<!ELEMENT struct_ncs_oper_matrix (matrix11*, matrix12*, matrix13*, matrix21*, matrix22*, matrix23*, matrix31*, matrix32*, matrix33*, vector1*, vector2*, vector3*)>
<!ATTLIST struct_ncs_oper_matrix oper_matrix_id CDATA #IMPLIED>
<!ATTLIST struct_ncs_oper_matrix pdb_id CDATA #IMPLIED>

<!ELEMENT matrix11 (#PCDATA)>
<!ELEMENT matrix12 (#PCDATA)>
<!ELEMENT matrix13 (#PCDATA)>
<!ELEMENT matrix21 (#PCDATA)>
<!ELEMENT matrix22 (#PCDATA)>
<!ELEMENT matrix23 (#PCDATA)>
<!ELEMENT matrix31 (#PCDATA)>
<!ELEMENT matrix32 (#PCDATA)>
<!ELEMENT matrix33 (#PCDATA)>
<!ELEMENT vector1 (#PCDATA)>
<!ELEMENT vector2 (#PCDATA)>
<!ELEMENT vector3 (#PCDATA)>

<!ELEMENT translation_vectors (translation_vector*)>
<!ELEMENT translation_vector (translation_vector1*, translation_vector2*, translation_vector3*, translation_details*)>
<!ATTLIST translation_vector t_vector_id CDATA #IMPLIED>
<!ELEMENT translation_vector1 (#PCDATA)>
<!ELEMENT translation_vector2 (#PCDATA)>
<!ELEMENT translation_vector3 (#PCDATA)>
<!ELEMENT translation_details (#PCDATA)>

<!--*************************************************************-->
<!--The atoms element includes the content of MODEL,ATOM,        -->
<!--SIGATM,ANISOU,SIGUIJ,TER,HETATM,ENDMDL                       -->
<!--*************************************************************-->
<!ELEMENT model_atoms (model_atom*)>
<!ATTLIST model_atoms pdb_id CDATA #IMPLIED>

<!ELEMENT model_atom (model*,atoms*)>
<!ATTLIST model_atom model_atom_id CDATA #IMPLIED>

<!ELEMENT model (model_serial_num*)>
<!ATTLIST model  model_id CDATA #REQUIRED>
<!ELEMENT model_serial_num (#PCDATA)>

<!ELEMENT atoms (atom*)>
<!ATTLIST  atoms pdb_id CDATA #IMPLIED>

<!ELEMENT atom (atom_name*,atom_type*, atom_aminoacid_id*, atom_chem_comp_name*, atom_asym_id*, atom_location*, atom_entry_id*, atom_seq_id*, atom_num_neighbors*,atom_bonds*, atom_coordinator_x*, atom_coordinator_y*, atom_coordinator_z*, atom_occupancy*,b_iso_or_equiv*,sig_atom*,anisotropic_temp*,standard_devi_ansi*)>
<!ATTLIST atom atom_site_id CDATA #REQUIRED>
<!ATTLIST atom atom_classification CDATA #IMPLIED>

<!ELEMENT atom_name (#PCDATA)>
<!ELEMENT atom_type (#PCDATA)>
<!ELEMENT atom_aminoacid_id (#PCDATA)>
<!ELEMENT atom_chem_comp_name (#PCDATA)>
<!ELEMENT atom_asym_id (#PCDATA)>
<!ELEMENT atom_location EMPTY>
<!ATTLIST atom_location loca_type (Begin|Middle|End) #REQUIRED>
<!ELEMENT atom_entry_id (#PCDATA)>
<!ELEMENT atom_seq_id (#PCDATA)>
<!ELEMENT atom_num_neighbors (#PCDATA)>
<!ELEMENT atom_bonds (atom_bond*)>
<!ATTLIST atom_bonds num_bonds CDATA #IMPLIED>
<!ELEMENT atom_bond (partner_atom_entry_id*, partner_atom_name*,atom_bond_type*)>
<!ATTLIST atom_bond  atom_bond_id CDATA #REQUIRED>
<!ELEMENT partner_atom_entry_id (#PCDATA)>
<!ELEMENT partner_atom_name (#PCDATA)>
<!ELEMENT atom_bond_type (#PCDATA)>
<!ELEMENT atom_coordinator_x (#PCDATA)>
<!ELEMENT atom_coordinator_y (#PCDATA)>
<!ELEMENT atom_coordinator_z (#PCDATA)>
<!ELEMENT atom_occupancy (#PCDATA)>
<!ELEMENT b_iso_or_equiv (#PCDATA)>

<!ELEMENT sig_atom (standard_deviation_x*, standard_deviation_y*, standard_deviation_z*, standard_deviation_occupancy*)>
<!ELEMENT standard_deviation_x (#PCDATA)>
<!ELEMENT standard_deviation_y (#PCDATA)>
<!ELEMENT standard_deviation_z (#PCDATA)>
<!ELEMENT standard_deviation_occupancy (#PCDATA)>

<!ELEMENT anisotropic_temp (anisotropic_temp_factor_11*, anisotropic_temp_factor_22*, anisotropic_temp_factor_33*, anisotropic_temp_factor_12*, anisotropic_temp_factor_13*, anisotropic_temp_factor_23)>
<!ELEMENT anisotropic_temp_factor_11 (#PCDATA)>
<!ELEMENT anisotropic_temp_factor_22 (#PCDATA)>
<!ELEMENT anisotropic_temp_factor_33 (#PCDATA)>
<!ELEMENT anisotropic_temp_factor_12 (#PCDATA)>
<!ELEMENT anisotropic_temp_factor_13 (#PCDATA)>
<!ELEMENT anisotropic_temp_factor_23 (#PCDATA)>

<!ELEMENT standard_devi_ansi (standard_devi_ansi_11*, standard_devi_ansi_22*, standard_devi_ansi_33*, standard_devi_ansi_12*, standard_devi_ansi_13*, standard_devi_ansi_23)>
<!ELEMENT standard_devi_ansi_11 (#PCDATA)>
<!ELEMENT standard_devi_ansi_22 (#PCDATA)>
<!ELEMENT standard_devi_ansi_33 (#PCDATA)>
<!ELEMENT standard_devi_ansi_12 (#PCDATA)>
<!ELEMENT standard_devi_ansi_13 (#PCDATA)>
<!ELEMENT standard_devi_ansi_23 (#PCDATA)>

<!--****************************************************************-->
<!--The connections element includes the content of CONECT          -->
<!--****************************************************************-->

<!ELEMENT connections (connection*)>
<!ATTLIST connections pdb_id CDATA #IMPLIED>

<!ELEMENT connection (auth_atom_serial_num*,partner_atoms*)>
<!ATTLIST connection  conn_id CDATA #REQUIRED>

<!ELEMENT auth_atom_serial_num (#PCDATA)>
<!ELEMENT partner_atoms (bonded_atoms*,hytrogen_atoms*,salt_atoms* )>

<!ELEMENT bonded_atoms (bond_atom* )>
<!ELEMENT bond_atom (bond_atom_serial_num* )>
<!ATTLIST bond_atom bond_atom_id CDATA #REQUIRED>
<!ELEMENT bond_atom_serial_num (#PCDATA)>


<!ELEMENT hytrogen_atoms (h_atom* )>
<!ELEMENT h_atom (h_atom_serial_num* )>
<!ATTLIST h_atom h_atom_id CDATA #REQUIRED>
<!ELEMENT h_atom_serial_num (#PCDATA)>


<!ELEMENT salt_atoms (salt_atom* )>
<!ELEMENT salt_atom (salt_atom_serial_num* )>
<!ATTLIST salt_atom salt_atom_id CDATA #REQUIRED>
<!ELEMENT salt_atom_serial_num (#PCDATA)>


<!ELEMENT bookkeep_information (num_remarks?,num_seqs?,num_hets?,num_helixes?,num_sheets?,num_turns?,num_sites?,num_coords?,num_mods?,num_connections?)>
<!ATTLIST bookkeep_information pdb_id CDATA #IMPLIED>

<!ELEMENT num_remarks (#PCDATA)>
<!ELEMENT num_seqs (#PCDATA)>
<!ELEMENT num_hets (#PCDATA)>
<!ELEMENT num_helixes (#PCDATA)>
<!ELEMENT num_sheets (#PCDATA)>
<!ELEMENT num_turns (#PCDATA)>
<!ELEMENT num_sites (#PCDATA)>
<!ELEMENT num_coords (#PCDATA)>
<!ELEMENT num_mods (#PCDATA)>
<!ELEMENT num_connections (#PCDATA)>

]>
<URI_protein pdb_id="1MCP">
   <attributes pdb_id="1MCP" >
       <header  classification="IMMUNOGLOBULIN" deposition_date="09-JUL-84" pdb_id="1MCP"></header>
       <compounds pdb_id="1MCP" >
	         <compound compound_entry_id="1" >IMMUNOGLOBULIN FAB FRAGMENT (MC/PC$603)</compound>      
	   </compounds>
	   <sources pdb_id="1MCP" >
	         <source source_entry_id="1">MOUSE (MUS $MUSCULUS)</source>
	   </sources>
   </attributes>
   <annotation  pdb_id="1MCP" > 
       <annotation_authors pdb_id="1MCP" >
	       <author author_entry_id ="1" author_name="Y.SATOW"/>
	       <author author_entry_id ="2" author_name="G.H.COHEN"/>
		   <author author_entry_id ="3" author_name="E.A.PADLAN"/>
		   <author author_entry_id ="4" author_name="D.R.DAVIES"/>
	  </annotation_authors>
	  <revision_dates pdb_id="1MCP" > 
	       <revision_date revision_date_id="3" revision_date="15-JUL-92 " revision_pdb_id="1MCPB" revision_type="1" > 
	          <revision_record_names>
	            <revision_record_name record_name_entry_id="1" record_name="REMARK"/>
	          </revision_record_names>
 	       </revision_date>
	  </revision_dates>
	 <!-- <journals pdb_id="1MCP" > 
	       <authors >Y.SATOW,G.H.COHEN,E.A.PADLAN,D.R.DAVIES </authors>
		   <title>PHOSPHOCHOLINE BINDING IMMUNOGLOBULIN FAB MC/PC603$. AN X-RAY DIFFRACTION STUDY AT 2.7 ANGSTROMS</title>
		   <journal_abbrev>J.MOL.BIOL.</journal_abbrev>
		   <journal_vol>190</journal_vol>
		   <first_page>593</first_page>
		   <year>1987</year>
		   <journal_id_ASTM>ASTM JMOBAK</journal_id_ASTM>
		   <country>UK</country>
		   <journal_id_ISSN>0022-2836</journal_id_ISSN>
	  </journals>-->
	  <remarks pdb_id="1MCP"> 
	       <remark remark_id="1" >
 <ref_citations remark_id="1"  remark_type="references">	        
      <ref_citation remark_id="1" citation_id="primary" remark_type="references">
	         <ref_citations_authors >Y.SATOW,G.H.COHEN,E.A.PADLAN,D.R.DAVIES </ref_citations_authors>
		   <ref_citations_title>PHOSPHOCHOLINE BINDING IMMUNOGLOBULIN FAB MC/PC603$. AN X-RAY DIFFRACTION STUDY AT 2.7 ANGSTROMS</ref_citations_title>
		   <journal_abbrev>J.MOL.BIOL.</journal_abbrev>
		   <journal_vol>190</journal_vol>
		   <first_page>593</first_page>
		   <year>1987</year>
		   <journal_id_ASTM>ASTM JMOBAK</journal_id_ASTM>
		   <country>UK</country>
		   <journal_id_ISSN>0022-2836</journal_id_ISSN>
		</ref_citation>
	  </ref_citations>
	  
<ref_citations remark_id="1"  remark_type="references">	
 <ref_citation remark_id="1" citation_id="1" remark_type="references">
				   <ref_citations_authors >S.RUDIKOFF,Y.SATOW,E.PADLAN,D.DAVIES,M.POTTER </ref_citations_authors>
		           <ref_citations_title>KAPPA CHAIN STRUCTURE FROM A CRYSTALLIZED MURINE FAB(PRIME). ROLE OF JOINING SEGMENT IN HAPTEN BINDING </ref_citations_title>
		           <journal_abbrev>MOL.IMMUNOL.</journal_abbrev>
		           <journal_vol>18</journal_vol>
		           <first_page>705</first_page>
				   <year>1981</year>
		           <journal_id_ASTM>ASTM MOIMDS</journal_id_ASTM>
		           <country>UK</country>
		           <journal_id_ISSN>0161-5890</journal_id_ISSN>
				 </ref_citation>
				</ref_citations>
				
		   </remark>
		   <remark remark_id="2" >
		     <resolutions pdb_id="1MCP" remark_id="2"  remark_type="resolution">
		         <resolution resolution_id="1" resolution_no_applicable="False">
		            <resolution_value> 2.7</resolution_value>
		            <angstorms> ANGSTROMS</angstorms>
		         </resolution>
		     </resolutions>
		 </remark>
		   <remark remark_id="3" >
		        <refinements remark_id="3"  remark_type="refinements">
				   <refinement refinement_entry_id="1">
				        <!--<data>RESTRAINED REFINEMENT BY THE METHOD OF KONNERT AND HENDRICKSON. THE FINAL R-VALUE IS 0.225.  THE RMS DEVIATION FROM CDATAEALITY OF THE BOND LENGTHS IS 0.02 ANGSTROMS.  THE RMS DEVIATION FROM CDATAEALITY OF THE BOND ANGLES IS 3.5 DEGREES. 
						</data>-->
				   </refinement>
				</refinements>
		   </remark>
		    <remark remark_id="4" >
		        <format_versions remark_id="4"  remark_type="format_version">
				   <format_version format_version_entry_id="1" format_version_date="16-JUL-87">
				   UPDATE JRNL REFERENCE TO REFLECT PUBLICATION.
				   </format_version>  				
				</format_versions>  
		   </remark>
		   <remark remark_id="5" >
		        <warnings remark_id="5" remark_type="warnings">
				   <warning warning_entry_id="1"  >
				   INSERT MISSING COMMA IN REFERENCE 5.
				   </warning>  				
				</warnings>  
		   </remark>
	 </remarks>
   </annotation>
   <seq_data pdb_id="1MCP">
        <sequences>
		    <sequence seq_id="1" seq_type="LIGHT" num_resds="220">
			   <wholesequence> <one_letter_seq>DIVMTQSPSSLSVSAGERVTMSCKSSQSLLNSGNQKNFLAWYQQKPGQPPKLLIYGASTRESGVPDRFT
			   GSGSGTDFTLTISSVQAEDLAVYYCQNDHSYPLTFGAGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKCDATAGSERQNGVLNSWTD
			   QDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC</one_letter_seq>
			   </wholesequence>
			   <seq_residues seq_id="1" seq_type="LIGHT" num_resds="220">
			       <seq_residue residue_id="1" seq_id="1" seq_type="LIGHT" num_resds="220">
				           <residue_name>Aspartic acid</residue_name>
						   <one_letter_name>D</one_letter_name>
						   <three_letter_name>ASP</three_letter_name>
						   <phi_angle> input phi</phi_angle>
						   <psi_angle> input psi</psi_angle>
						   <residue_weight>115.02694 </residue_weight>
						   <residue_formula>C4H5NO3</residue_formula>
						   <hydrophobicity_scale  hydro_type="HoppWoods">3.0</hydrophobicity_scale>
				   </seq_residue>
				   <seq_residue residue_id="2" seq_id="1" seq_type="LIGHT" num_resds="220">
				           <residue_name>Isoleucined</residue_name>
						   <one_letter_name>I</one_letter_name>
						   <three_letter_name>ILE</three_letter_name>
						   <phi_angle> input phi</phi_angle>
						   <psi_angle> input psi</psi_angle>
						   <residue_weight>113.08406</residue_weight>
						   <residue_formula>C6H11NO</residue_formula>
						   <hydrophobicity_scale  hydro_type="HoppWoods">-1.8</hydrophobicity_scale>
				   </seq_residue>
				   <!-- here I ignore 217(from 3 to 219 ) residues-->
				   <seq_residue residue_id="220" seq_id="1" seq_type="LIGHT" num_resds="220">
				           <residue_name>Cysteine</residue_name>
						   <one_letter_name>C</one_letter_name>
						   <three_letter_name>CYS</three_letter_name>
						   <phi_angle> input phi</phi_angle>
						   <psi_angle> input psi</psi_angle>
						   <residue_weight>103.00919</residue_weight>
						   <residue_formula>C3H5NOS</residue_formula>
						   <hydrophobicity_scale  hydro_type="HoppWoods">-1.0</hydrophobicity_scale>
				   </seq_residue>
			   </seq_residues>
			</sequence>
			 <sequence seq_id="2" seq_type="HEAVY" num_resds="222">
			   <wholesequence> <one_letter_seq>EVKLVESGGGLVQPGGSLRLSCATSGFTFSDFYMEWVRQPPGKRLEWIAASRNKGNKYTTEYSASVKGRFIVSRDTSQSI
LYLQMNALRAEDTAIYYCARNYYGSTWYFDVWGAGTTVTVSSESARNPTIYPLTLPPALSSDPVIIGCLIHDYFPSGTMNVTWGKSGKDITTVNFPPALASG
GRYTMSNQLTLPAVECPEGESVKCSVQHDSNPVQELDVNC</one_letter_seq>
			   </wholesequence>
			   <seq_residues seq_id="2" seq_type="HEAVY" num_resds="222">
			       <seq_residue residue_id="1" seq_id="2" seq_type="HEAVY" num_resds="222">
				           <residue_name>Glutamic acid</residue_name>
						   <one_letter_name>E</one_letter_name>
						   <three_letter_name>GLU</three_letter_name>
						   <phi_angle> input phi</phi_angle>
						   <psi_angle> input psi</psi_angle>
						   <residue_weight>129.04259</residue_weight>
						   <residue_formula>C5H7NO3</residue_formula>
						   <hydrophobicity_scale  hydro_type="HoppWoods">3.0</hydrophobicity_scale>
				   </seq_residue>
				   <seq_residue residue_id="2" seq_id="2" seq_type="HEAVY" num_resds="222">
				           <residue_name>Valine</residue_name>
						   <one_letter_name>V</one_letter_name>
						   <three_letter_name>VAL</three_letter_name>
						   <phi_angle> input phi</phi_angle>
						   <psi_angle> input psi</psi_angle>
						   <residue_weight>99.068414</residue_weight>
						   <residue_formula>C5H9NO</residue_formula>
						   <hydrophobicity_scale  hydro_type="HoppWoods">-1.5</hydrophobicity_scale>
				   </seq_residue>
				   <!-- here I ignore 219(from 3 to 221 ) residues-->
				   <seq_residue residue_id="222" seq_id="2" seq_type="HEAVY" num_resds="222">
				           <residue_name>Cysteine</residue_name>
						   <one_letter_name>C</one_letter_name>
						   <three_letter_name>CYS</three_letter_name>
						   <phi_angle> input phi</phi_angle>
						   <psi_angle> input psi</psi_angle>
						   <residue_weight>103.00919</residue_weight>
						   <residue_formula>C3H5NOS</residue_formula>
						   <hydrophobicity_scale  hydro_type="HoppWoods">-1.0</hydrophobicity_scale>
				   </seq_residue>
			   </seq_residues>
			</sequence>
                        <footnotes pdb_id="1mcp">
			<footnote footnote_id="1">FOR RESCDATAUES 28-37 AND 162-163 OF THE LIGHT CHAIN AND RESCDATAUE 202 OF THE HEAVY CHAIN, THE DENSITY WAS POOR. THESE RESCDATAUES WERE BUILT MAINLY BY STEREOCHEMISTRY.</footnote>
		    <footnote footnote_id="2">RESCDATAUES PRO L 8, PRO L 101, PRO L 147, PRO H 143, PRO H 155 ARE CIS PROLINES.</footnote>
		</footnotes>
</sequences>
		<!--<non-polyer_seqs pdb_id="1MCP">
		    <non-polyer_seq id="1"> 
			   <non-polyer_chem_comp_id>SO4</non-polyer_chem_comp_id>
			   <non-polyer_pdb_seq_info info_id="1">
                      <non-polyer_pdb_seq_id>8001</non-polyer_pdb_seq_id>
                      <non-polyer_num_of_atoms>5</non-polyer_num_of_atoms>
seq_id=1, Number of HETATM records =5, SULFATE </non-polyer_pdb_seq_info>			</non-polyer_seq>
		</non-polyer_seqs> need change-->

		<bonds pdb_id="1MCP">
		    <bond bond_id="1">
			   <bond_type>SSBOND</bond_type>
			   <part1_chem_comp_id>CYS</part1_chem_comp_id>
			   <part1_auth_asym_id>LIGHT</part1_auth_asym_id>
			   <part1_seq_id>23</part1_seq_id>
			   <part2_chem_comp_id>CYS</part2_chem_comp_id>
			   <part2_auth_asym_id>LIGHT</part2_auth_asym_id>
			   <part2_seq_id>94</part2_seq_id>
		    </bond>
			<!--I ignore 3(from 2-4) bonds here-->
			<bond bond_id="5">
			   <bond_type>SSBOND</bond_type>
			   <part1_chem_comp_id>CYS</part1_chem_comp_id>
			   <part1_auth_asym_id>HEAVY</part1_auth_asym_id>
			   <part1_seq_id>198</part1_seq_id>
			   <part2_chem_comp_id>CYS</part2_chem_comp_id>
			   <part2_auth_asym_id>HEAVY</part2_auth_asym_id>
			   <part2_seq_id>222</part2_seq_id>
		    </bond>
		</bonds>
   </seq_data>
   <crystal_cell pdb_id="1MCP">
     <length_a>162.531</length_a>
	 <length_b>162.531</length_b>
	 <length_c>60.719</length_c>
	 <angle_alpha>90.00</angle_alpha>
	 <angle_beta>90.00</angle_beta>
	 <angle_gamma>120.00</angle_gamma>
     <space_group_name_H_M>P 63</space_group_name_H_M>
	 <Z_pdb>6</Z_pdb>
   </crystal_cell>
   <orig_matrices pdb_id="1MCP"> 
        <origmatrix>
		    <origx11>1.000000</origx11>
			<origx12>0.000000</origx12>
			<origx13>0.000000</origx13>
			<origx21>0.000000</origx21>
			<origx22>1.000000</origx22>
			<origx23>0.000000</origx23>
			<origx31>0.000000</origx31>
			<origx32>0.000000</origx32>
			<origx33>1.000000</origx33>
			<origx_vector1>0.000000</origx_vector1>
			<origx_vector2>0.000000</origx_vector2>
			<origx_vector3>0.000000</origx_vector3>
		</origmatrix>
		<transfer_matrix>
		    <transfer_matrix11>0.007104</transfer_matrix11>
			<transfer_matrix12>0.000000</transfer_matrix12>
			<transfer_matrix13>0.000000</transfer_matrix13>
			<transfer_matrix21>0.003552</transfer_matrix21>
			<transfer_matrix22>0.006153</transfer_matrix22>
			<transfer_matrix23>0.000000</transfer_matrix23>
			<transfer_matrix31>0.000000</transfer_matrix31>
			<transfer_matrix32>0.000000</transfer_matrix32>
			<transfer_matrix33>0.016469</transfer_matrix33>
			<transfer_vector1>0.0000000</transfer_vector1>
			<transfer_vector2>0.0000000</transfer_vector2>
			<transfer_vector3>0.0000000</transfer_vector3>
		</transfer_matrix>
   </orig_matrices>
   <model_atoms pdb_id="1MCP">
     <model_atom model_atom_id="1">
       <atoms>
		    <atom atom_site_id="1">
			  <atom_name>N</atom_name>
			  <atom_type>N</atom_type>
			  <atom_aminoacid_id>ASP</atom_aminoacid_id>
			  <atom_asym_id>L</atom_asym_id>
			  <atom_location loca_type="Begin"/> 
			  <atom_entry_id>1</atom_entry_id>
			  <atom_seq_id>1</atom_seq_id>
			  <atom_num_neighbors>?how to findthisnum</atom_num_neighbors>
			  <atom_coordinator_x>62.830</atom_coordinator_x>
			  <atom_coordinator_y>59.940</atom_coordinator_y>
			  <atom_coordinator_z>-41.975</atom_coordinator_z>
			 <atom_occupancy>1.00</atom_occupancy>
			 <b_iso_or_equiv>16.89</b_iso_or_equiv>
			</atom>
			
			<atom atom_site_id="2">
			<atom_name>C</atom_name>
			<atom_type>CA</atom_type>
			<atom_aminoacid_id>ASP</atom_aminoacid_id>
			<atom_asym_id>L</atom_asym_id>
			<atom_location loca_type="Middle"/> 
			<atom_entry_id>1</atom_entry_id>
			<atom_seq_id>1</atom_seq_id>
			<atom_num_neighbors>?how to find this num</atom_num_neighbors>
			<atom_coordinator_x>63.007</atom_coordinator_x>
			<atom_coordinator_y>60.607</atom_coordinator_y>
			<atom_coordinator_z>-40.684</atom_coordinator_z>
			<atom_occupancy>1.00</atom_occupancy>
			<b_iso_or_equiv>16.66</b_iso_or_equiv>
			</atom>
			
			<!--here I ingore 5 (from 3 to 7)atoms-->
			
			<atom atom_site_id="8">
			<atom_name>O</atom_name>
			<atom_type>OD2</atom_type>
			<atom_aminoacid_id>ASP</atom_aminoacid_id>
			<atom_asym_id>L</atom_asym_id>
			<atom_location loca_type="Middle"/> 
			<atom_entry_id>1</atom_entry_id>
			<atom_seq_id>1</atom_seq_id>
			<atom_num_neighbors>?how to find this num</atom_num_neighbors>
			<atom_coordinator_x>64.290</atom_coordinator_x>
			<atom_coordinator_y>54.847</atom_coordinator_y>
			<atom_coordinator_z>-41.059</atom_coordinator_z>
			<atom_occupancy>1.00</atom_occupancy>
			<b_iso_or_equiv>19.05</b_iso_or_equiv>
			</atom>
			
			<atom atom_site_id="9">
			<atom_name>N</atom_name>
			<atom_type>N</atom_type>
			<atom_aminoacid_id>ILE</atom_aminoacid_id>
			<atom_asym_id>L</atom_asym_id>
			<atom_location loca_type="Middle"/>
			<atom_entry_id>2</atom_entry_id>
			<atom_seq_id>1</atom_seq_id>
			<atom_num_neighbors>?how to find this num</atom_num_neighbors>
			<atom_coordinator_x>62.501</atom_coordinator_x>
			<atom_coordinator_y>62.758</atom_coordinator_y>
			<atom_coordinator_z>-39.879</atom_coordinator_z>
			<atom_occupancy>1.00</atom_occupancy>
			<b_iso_or_equiv>14.82</b_iso_or_equiv>
			</atom>
			
			<!--I ingore 142 atoms-->
			<!--Here there is SSbond between atom 162 and atom 705 -->
			<atom atom_site_id="161">
			<atom_name>C</atom_name>
			<atom_type>CB</atom_type>
			<atom_aminoacid_id>CYS</atom_aminoacid_id>
			<atom_asym_id>L</atom_asym_id>
			<atom_location loca_type="Middle"/>
			<atom_entry_id>23</atom_entry_id>
			<atom_seq_id>1</atom_seq_id>
			<atom_num_neighbors>?how to find this num</atom_num_neighbors>
			<atom_coordinator_x>62.975</atom_coordinator_x>
			<atom_coordinator_y>73.421</atom_coordinator_y>
			<atom_coordinator_z>-31.449</atom_coordinator_z>
			<atom_occupancy>1.00</atom_occupancy>
			<b_iso_or_equiv>7.73</b_iso_or_equiv>
			</atom>
			
			<atom atom_site_id="162">
			<atom_name>S</atom_name>
			<atom_type>SG</atom_type>
			<atom_aminoacid_id>CYS</atom_aminoacid_id>
			<atom_asym_id>L</atom_asym_id>
			<atom_location loca_type="Middle"/>
			<atom_entry_id>23</atom_entry_id>
			<atom_seq_id>1</atom_seq_id>
			<atom_num_neighbors>?how to find this num</atom_num_neighbors>
			<atom_bonds num_bonds="2">
			    <atom_bond atom_bond_id="1">
				  <partner_atom_entry_id>161</partner_atom_entry_id>
				  <partner_atom_name>CB</partner_atom_name>
				  <atom_bond_type>? what bond ?in same acid</atom_bond_type>
				</atom_bond>
				<atom_bond atom_bond_id="2">
				  <partner_atom_entry_id>705</partner_atom_entry_id>
				  <partner_atom_name>SG</partner_atom_name>
				  <atom_bond_type>SSBOND</atom_bond_type>
				</atom_bond>
			</atom_bonds>
			<atom_coordinator_x>62.235</atom_coordinator_x>
			<atom_coordinator_y>71.926</atom_coordinator_y>
			<atom_coordinator_z>-32.149</atom_coordinator_z>
			<atom_occupancy>1.00</atom_occupancy>
			<b_iso_or_equiv>7.51</b_iso_or_equiv>
			</atom>
			
			<!--I ignore many atoms here-->
            <!--there is SSBOND between atom 162 and 705-->
			<atom atom_site_id="705">
			<atom_name>S</atom_name>
			<atom_type>SG</atom_type>
			<atom_aminoacid_id>CYS</atom_aminoacid_id>
			<atom_asym_id>L</atom_asym_id>
			<atom_location loca_type="Middle"/>
			<atom_entry_id>94</atom_entry_id>
			<atom_seq_id>1</atom_seq_id>
			<atom_num_neighbors>?how to find this num</atom_num_neighbors>
			<atom_bonds num_bonds="2">
			    <atom_bond atom_bond_id="1">
				  <partner_atom_entry_id>162</partner_atom_entry_id>
				  <partner_atom_name>SG</partner_atom_name>
				  <atom_bond_type>SSBOND</atom_bond_type>
				</atom_bond>
				<atom_bond atom_bond_id="2">
				  <partner_atom_entry_id>704</partner_atom_entry_id>
				  <partner_atom_name>CB</partner_atom_name>
				  <atom_bond_type>? what bond ?in same acid</atom_bond_type>
				</atom_bond>
			</atom_bonds>
			<atom_coordinator_x>62.601</atom_coordinator_x>
			<atom_coordinator_y>70.473</atom_coordinator_y>
			<atom_coordinator_z>-30.828</atom_coordinator_z>
			<atom_occupancy>1.00</atom_occupancy>
			<b_iso_or_equiv>7.18</b_iso_or_equiv>
			</atom>       
			
			<!--here I ingore many(from 705 to 1691)atoms-->
			<atom atom_site_id="1692">
			<atom_name>O</atom_name>
			<atom_type>OXT</atom_type>
			<atom_aminoacid_id>CYS</atom_aminoacid_id>
			<atom_asym_id>L</atom_asym_id>
			<atom_location loca_type="End"/>
			<atom_entry_id>220</atom_entry_id>
			<atom_seq_id>1</atom_seq_id>
			<atom_num_neighbors>?how to find this num</atom_num_neighbors>
			<atom_coordinator_x>93.715</atom_coordinator_x>
			<atom_coordinator_y>53.099</atom_coordinator_y>
			<atom_coordinator_z>13.361</atom_coordinator_z>
			<atom_occupancy>1.00</atom_occupancy>
			<b_iso_or_equiv>41.13</b_iso_or_equiv>
			</atom>
			<!--This is the end of this sequensce     -->
			<!--Here we start a new sequence-->
			<atom atom_site_id="1694">
			<atom_name>N</atom_name>
			<atom_type>N</atom_type>
			<atom_aminoacid_id>GLU</atom_aminoacid_id>
			<atom_asym_id>H</atom_asym_id>
			<atom_location loca_type="Begin"/>
			<atom_entry_id>1</atom_entry_id>
			<atom_seq_id>2</atom_seq_id>
			<atom_num_neighbors>?how to find this num</atom_num_neighbors>
			<atom_coordinator_x>44.965</atom_coordinator_x>
			<atom_coordinator_y>59.732</atom_coordinator_y>
			<atom_coordinator_z>-11.610</atom_coordinator_z>
			<atom_occupancy>1.00</atom_occupancy>
			<b_iso_or_equiv>15.31</b_iso_or_equiv>
			</atom>
			<!--here I ingore 1706 (from 1695 to 3401)atoms-->
			<atom atom_site_id="3402">
			<atom_name>O</atom_name>
			<atom_type>OXT</atom_type>
			<atom_aminoacid_id>CYS</atom_aminoacid_id>
			<atom_asym_id>H</atom_asym_id>
			<atom_location loca_type="End"/>
			<atom_entry_id>222</atom_entry_id>
			<atom_seq_id>2</atom_seq_id>
			<atom_num_neighbors>?how to find this num</atom_num_neighbors>
			<atom_coordinator_x>77.544</atom_coordinator_x>
			<atom_coordinator_y>60.958</atom_coordinator_y>
			<atom_coordinator_z>14.188</atom_coordinator_z>
			<atom_occupancy>1.00</atom_occupancy>
			<b_iso_or_equiv>21.86</b_iso_or_equiv>
			</atom>
	        <!--This is the end of this sequence--> 
			<!--Hetatom starts here--> 
			<atom atom_site_id="3404" atom_classification="HETATM">
			<atom_name>S</atom_name>
			<atom_type>S</atom_type>
			<atom_chem_comp_name>SO4</atom_chem_comp_name>
			<atom_entry_id>223</atom_entry_id>
			<atom_seq_id>2</atom_seq_id>
			<atom_num_neighbors>?how to find this num</atom_num_neighbors>
			<atom_coordinator_x>49.134</atom_coordinator_x>
			<atom_coordinator_y>57.007</atom_coordinator_y>
			<atom_coordinator_z>-37.340</atom_coordinator_z>
			<atom_occupancy>1.00</atom_occupancy>
			<b_iso_or_equiv>27.09</b_iso_or_equiv>
			</atom>
			
			<!--here I ingore 141(from 3405 to 3545) hetatom atoms-->
			<atom atom_site_id="3546" atom_classification="HETATM">
			<atom_name>O</atom_name>
			<atom_type>O</atom_type>
			<atom_chem_comp_name>HOH</atom_chem_comp_name>
			<atom_entry_id>362</atom_entry_id>
			<atom_num_neighbors>?how to find this num</atom_num_neighbors>
			<atom_coordinator_x>77.455</atom_coordinator_x>
			<atom_coordinator_y>78.753</atom_coordinator_y>
			<atom_coordinator_z>-15.593</atom_coordinator_z>
			<atom_occupancy>0.84</atom_occupancy>
			<b_iso_or_equiv>15.33</b_iso_or_equiv>
			</atom>
		</atoms>
   </model_atom>
   </model_atoms>
   <connections pdb_id="1MCP">
        <connection conn_id="1">
           <auth_atom_serial_num>162</auth_atom_serial_num>
		   <partner_atoms>
		      <bonded_atoms>
			     <bond_atom bond_atom_id="1">
			       <bond_atom_serial_num>161</bond_atom_serial_num>
			     </bond_atom>
				 <bond_atom bond_atom_id="2">
			       <bond_atom_serial_num>705</bond_atom_serial_num>
			     </bond_atom>
			  </bonded_atoms>
		   </partner_atoms>
        </connection>
		
		<!-- here I ingore 13 (from 2 to 14)CONECTs--> 
		
		<connection conn_id="15">
           <auth_atom_serial_num>3408</auth_atom_serial_num>
		   <partner_atoms>
		      <bonded_atoms>
			     <bond_atom bond_atom_id="1">
			       <bond_atom_serial_num>3404</bond_atom_serial_num>
			     </bond_atom>
			  </bonded_atoms>
		   </partner_atoms>
        </connection>                                               
   </connections>
   <bookkeep_information  pdb_id="1mcp">
      <num_remarks> 10 </num_remarks>
      <num_seqs>  2   </num_seqs>
      <num_hets>   1  </num_hets>
      <num_coords>3544   </num_coords>
      <num_mods >1    </num_mods>
      <num_connections>15 </num_connections>
   </bookkeep_information>

   
</URI_protein>

 


