Mercurial > repos > galaxyp > pdb2pqr
changeset 0:4a4a6c6a6074 draft default tip
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pdb2pqr commit 669f7b72cdfa180ba57a85401852f5d8a8d2a317-dirty
| author | galaxyp |
|---|---|
| date | Mon, 13 Aug 2018 12:10:24 -0400 |
| parents | |
| children | |
| files | pdb2pqr.xml test-data/1d4w.pdb |
| diffstat | 2 files changed, 2848 insertions(+), 0 deletions(-) [+] |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/pdb2pqr.xml Mon Aug 13 12:10:24 2018 -0400 @@ -0,0 +1,255 @@ +<tool id="pdb2pqr" name="PDB2PQR" version="0.1.0"> + <description>convert PDB to PQR biomolecular structure modeling, analysis, and simulation</description> + <requirements> + <requirement type="package" version="2.1.1">pdb2pqr</requirement> + </requirements> + <command detect_errors="exit_code"><![CDATA[ + #def getPDBID(pdbfile): + #for $line in open(str($pdbfile),'r').readlines(): + #if $line.startswith('HEADER'): + #return($line[62:66]) + #end if + #end for + #return 'mol' + #end def + #set $pdbid = $getPDBID($input_pdb) + #if $chain: + #set $pqrext = 'pqrq' + #else + #set $pqrext = 'pqr' + #end if + mkdir output && + pdb2pqr --ff=$forcefield + --ffout=charmm + --ph-calc-method=${ph_calc_method} + --with-ph=${with_ph} + $chain $whitespace $drop_water $assign_only $nodebump $noopts + #if $extensions: + #for $ext in str($extensions).split(','): + --${ext} + #end for + #end if + --verbose + $input_pdb output/${pdbid}.pqr + && for i in output/${pdbid}*; do cp \${i} \${i/${pdbid}/mol}; done + ]]></command> + <inputs> + <param name="input_pdb" type="data" format="pdb" label="PDB file"/> + <param name="forcefield" type="select" label="Pick a forcefield to use"> + <option value="amber">amber</option> + <option value="charmm">charmm</option> + <option value="parse">parse</option> + <option value="tyl06">tyl06</option> + <option value="peoepb ">peoepb </option> + <option value="swanson">swanson</option> + </param> + <param name="ph_calc_method" type="select" label="Method used to calculate ph values"> + <option value="propka">propka</option> + </param> + <param name="with_ph" type="float" value="7.0" min="0.0" max="14.0" label="pH value" + help="to use when applying the results of the selected pH calculation method Default=7.0"/> + <param name="chain" type="boolean" truevalue="--chain" falsevalue="" checked="true" label="Keep the PDB chain ID in the output PQR file."/> + <param name="whitespace" type="boolean" truevalue="--whitespace" falsevalue="" checked="false" label="Insert whitespaces between atom name and residue name, between x and y, and between y and z"/> + <param name="drop_water" type="boolean" truevalue="--drop-water" falsevalue="" checked="false" label="Drop waters before processing protein. (HOH,WAT)"/> + <param name="assign_only" type="boolean" truevalue="--assign-only" falsevalue="" checked="false" label="Only assign charges and radii - do not add atoms, debump, or optimize"/> + <param name="nodebump" type="boolean" truevalue="--nodebump" falsevalue="" checked="false" label="Do not perform the debumping operation to remove steric clashes"/> + <param name="noopts" type="boolean" truevalue="--noopts" falsevalue="" checked="false" label="Do not perform hydrogen bond optimization"/> + + <param name="extensions" type="select" multiple="true" display="checkboxes" label="Extension outputs"> + <option value="summary">summary</option> + <option value="apbs-input">apbs-input</option> + <option value="typemap">typemap</option> + <option value="chi">chi</option> + <option value="contact">contact</option> + <option value="hbond">hbond</option> + <option value="rama">rama</option> + <option value="salt">salt</option> + </param> + </inputs> + <outputs> + <data name="output_pqr" format="txt" label="${input_pdb.name}.pqr" from_work_dir="output/mol.pqr"/> + <data name="output_propka" format="txt" label="${input_pdb.name}.propka" from_work_dir="output/mol.propka"> + <filter>ph_calc_method == 'propka'</filter> + </data> + <data name="output_summary" format="txt" label="${input_pdb.name}.summary" from_work_dir="output/mol.summary"> + <filter>extensions and 'summary' in extensions</filter> + </data> + <data name="output_chi" format="txt" label="${input_pdb.name}.chi" from_work_dir="output/mol.chi"> + <filter>extensions and 'chi' in extensions</filter> + </data> + <data name="output_contact" format="txt" label="${input_pdb.name}.con" from_work_dir="output/mol.con"> + <filter>extensions and 'contact' in extensions</filter> + </data> + <data name="output_hbond" format="txt" label="${input_pdb.name}.hbond" from_work_dir="output/mol.hbond"> + <filter>extensions and 'hbond' in extensions</filter> + </data> + <data name="output_rama" format="txt" label="${input_pdb.name}.rama" from_work_dir="output/mol.rama"> + <filter>extensions and 'rama' in extensions</filter> + </data> + <data name="output_salt" format="txt" label="${input_pdb.name}.salt" from_work_dir="output/mol.salt"> + <filter>extensions and 'salt' in extensions</filter> + </data> + <data name="output_typemap" format="html" label="${input_pdb.name}.typemap.html" from_work_dir="output/mol-typemap.html"> + <filter>extensions and 'typemap' in extensions</filter> + </data> + </outputs> + <tests> + <test> + <param name="input_pdb" ftype="pdb" value="1d4w.pdb"/> + <output name="output_pqr"> + <assert_contents> + <has_text text="PQR" /> + <has_text text="ATOM 1 N MET" /> + </assert_contents> + </output> + </test> + </tests> + <help><![CDATA[ +Usage: pdb2pqr [options] PDB_PATH PQR_OUTPUT_PATH + +This module takes a PDB file as input and performs optimizations before +yielding a new PQR-style file in PQR_OUTPUT_PATH. If PDB_PATH is an ID it will +automatically be obtained from the PDB archive. + +Options: + --version show program's version number and exit + -h, --help show this help message and exit + +Manditory options: + One of the following options must be used. + + --ff=FIELD_NAME The forcefield to use - currently amber, charmm, + parse, tyl06, peoepb and swanson are supported. + --userff=USER_FIELD_FILE + The user created forcefield file to use. Requires + --usernames overrides --ff + --clean Do no optimization, atom addition, or parameter + assignment, just return the original PDB file in + aligned format. Overrides --ff and --userff + + General options: + --nodebump Do not perform the debumping operation + --noopt Do not perform hydrogen optimization + --chain Keep the chain ID in the output PQR file + --assign-only Only assign charges and radii - do not add atoms, + debump, or optimize. + --ffout=FIELD_NAME Instead of using the standard canonical naming scheme + for residue and atom names, use the names from the + given forcefield - currently amber, charmm, parse, + tyl06, peoepb and swanson are supported. + --usernames=USER_NAME_FILE + The user created names file to use. Required if using + --userff + --apbs-input Create a template APBS input file based on the + generated PQR file. Also creates a Python pickle for + using these parameters in other programs. + --ligand=PATH Calculate the parameters for the ligand in mol2 format + at the given path. Pdb2pka must be compiled. + --whitespace Insert whitespaces between atom name and residue name, + between x and y, and between y and z. + --typemap Create Typemap output. + --neutraln Make the N-terminus of this protein neutral (default + is charged). Requires PARSE force field. + --neutralc Make the C-terminus of this protein neutral (default + is charged). Requires PARSE force field. + -v, --verbose Print information to stdout. + --drop-water Drop waters before processing protein. Currently + recognized and deleted are the following water types: + HOH, WAT + --include-header Include pdb header in pqr file. WARNING: The resulting + PQR file will not work with APBS versions prior to 1.5 + + pH options: + --ph-calc-method=PH_METHOD + Method used to calculate ph values. If a pH + calculation method is selected, for each titratable + residue pH values will be calculated and the residue + potentially modified after comparison with the pH + value supplied by --with_ph propka - Use PROPKA to + calculate pH values. Actual PROPKA results will be + output to <output-path>.propka. pdb2pka - Use PDB2PKA + to calculate pH values. Requires the use of the PARSE + force field. Warning: Larger residues can take a very + long time to run using this method. EXPERIMENTAL! + --with-ph=PH pH values to use when applying the results of the + selected pH calculation method. Defaults to 7.0 + + PDB2PKA method options: + --pdb2pka-out=PDB2PKA_OUT + Output directory for PDB2PKA results. Defaults to + pdb2pka_output + --pdb2pka-resume Resume run from state saved in output directory. + --pdie=PDB2PKA_PDIE + Protein dielectric constant. Defaults to 8 + --sdie=PDB2PKA_SDIE + Solvent dielectric constant. Defaults to 80 + --pairene=PDB2PKA_PAIRENE + Cutoff energy in kT for calculating non charged- + charged interaction energies. Default: 1.0 + + PROPKA method options: + --propka-reference=PROPKA_REFERENCE + Setting which reference to use for stability + calculations. See PROPKA 3.0 documentation. + --propka-verbose Print extra proPKA information to stdout. WARNING: + This produces an incredible amount of output. + + Extension options: + --chi Print the per-residue backbone chi angle to {output- + path}.chi + --summary Print protein summary information to {output- + path}.summary. + --contact Print a list of contacts to {output-path}.con + --newresinter Print interaction energy between each residue pair in + the protein to {output-path}.newresinter. + --salt Print a list of salt bridges to {output-path}.salt + + Hbond extension options: + --hbond Print a list of hydrogen bonds to {output-path}.hbond + --whatif Change hbond output to WHAT-IF format. + --angle_cutoff=ANGLE_CUTOFF + Angle cutoff to use when creating hbond data (default + 30.0) + --distance_cutoff=DISTANCE_CUTOFF + Distance cutoff to use when creating hbond data + (default 3.4) + --old_distance_method + Use distance from donor hydrogen to acceptor to + calculate distance used with --distance_cutoff. + + Resinter extension options: + --resinter Print interaction energy between each residue pair in + the protein to {output-path}.resinter. + --residue_combinations + Remap residues to different titration states and rerun + resinter appending output. Consider only the minimum + number of whole protein titration combinations needed + to test each possible pairing of residue titration + states. Normally used with --noopt. If a protein + titration state combination results in a pair of + residue being re-tested in the same individual + titration states a warning will be generated if the + re-tested result is different. This warning should not + be possible if used with --noopt. + --all_residue_combinations + Remap residues to ALL possible titration state + combinations and rerun resinter appending output. + Results with --noopt should be the same as + --residue_combinations. Runs considerably slower than + --residue_combinations and generates the same type of + warnings. Use without --noopt to discover how + hydrogen optimization affects residue interaction + energies via the warnings in the output. + + Rama extension options: + --rama Print the per-residue phi and psi angles to {output- + path}.rama for Ramachandran plots + --phi_only Only include phi angles in output. Rename output file + {output-path}.phi + --psi_only Only include psi angles in output. Rename output file + {output-path}.psi + ]]></help> + <citations> + <citation type="doi">10.1093/nar/gkh381</citation> + </citations> +</tool>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/1d4w.pdb Mon Aug 13 12:10:24 2018 -0400 @@ -0,0 +1,2593 @@ +HEADER SIGNALING PROTEIN 06-OCT-99 1D4W +TITLE CRYSTAL STRUCTURE OF THE XLP PROTEIN SAP IN COMPLEX WITH SLAM +TITLE 2 PHOSPHOPEPTIDE +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: T CELL SIGNAL TRANSDUCTION MOLECULE SAP; +COMPND 3 CHAIN: A, B; +COMPND 4 FRAGMENT: SH2 DOMAIN; +COMPND 5 SYNONYM: SAP; +COMPND 6 ENGINEERED: YES; +COMPND 7 MUTATION: YES; +COMPND 8 MOL_ID: 2; +COMPND 9 MOLECULE: SIGNALING LYMPHOCYTIC ACTIVATION MOLECULE; +COMPND 10 CHAIN: C, D; +COMPND 11 FRAGMENT: CYTOPLASMIC TAIL SYNTHETIC PHOSPOPEPTIDE; +COMPND 12 SYNONYM: SLAM; +COMPND 13 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; +SOURCE 3 ORGANISM_COMMON: HUMAN; +SOURCE 4 ORGANISM_TAXID: 9606; +SOURCE 5 TISSUE: BLOOD; +SOURCE 6 CELL: T CELL; +SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; +SOURCE 10 EXPRESSION_SYSTEM_PLASMID: T7-PRSET; +SOURCE 11 MOL_ID: 2; +SOURCE 12 SYNTHETIC: YES; +SOURCE 13 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED. +KEYWDS SH2 DOMAIN, PHOSPHOTYROSINE RECOGNIITON, PEPTIDE RECOGNITION, SIGNAL +KEYWDS 2 TRANSDUCTION, LYMPHOPROLIFERATIVE DISEASE, SIGNALING PROTEIN +EXPDTA X-RAY DIFFRACTION +AUTHOR F.POY,M.B.YAFFE,J.SAYOS,K.SAXENA,M.J.ECK +REVDAT 5 31-JAN-18 1D4W 1 REMARK +REVDAT 4 13-JUL-11 1D4W 1 VERSN +REVDAT 3 24-FEB-09 1D4W 1 VERSN +REVDAT 2 04-APR-00 1D4W 1 JRNL DBREF REMARK SEQADV +REVDAT 1 14-OCT-99 1D4W 0 +JRNL AUTH F.POY,M.B.YAFFE,J.SAYOS,K.SAXENA,M.MORRA,J.SUMEGI, +JRNL AUTH 2 L.C.CANTLEY,C.TERHORST,M.J.ECK +JRNL TITL CRYSTAL STRUCTURES OF THE XLP PROTEIN SAP REVEAL A CLASS OF +JRNL TITL 2 SH2 DOMAINS WITH EXTENDED, PHOSPHOTYROSINE-INDEPENDENT +JRNL TITL 3 SEQUENCE RECOGNITION. +JRNL REF MOL.CELL V. 4 555 1999 +JRNL REFN ISSN 1097-2765 +JRNL PMID 10549287 +JRNL DOI 10.1016/S1097-2765(00)80206-3 +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH J.SAYOS,C.WU,M.MORRA,N.WANG,C.TERHORST +REMARK 1 TITL THE X-LINKED LYMPHOPROLIFERATIVE DISEASE GENE PRODUCT SAP +REMARK 1 TITL 2 REGULATES SIGNALS INDUCED THROUGH THE CO-RECEPTOR SLAM +REMARK 1 REF NATURE V. 395 462 1998 +REMARK 1 REFN ISSN 0028-0836 +REMARK 1 DOI 10.1038/26683 +REMARK 2 +REMARK 2 RESOLUTION. 1.80 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : SHELXL-97 +REMARK 3 AUTHORS : G.M.SHELDRICK +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 4.000 +REMARK 3 COMPLETENESS FOR RANGE (%) : NULL +REMARK 3 CROSS-VALIDATION METHOD : NULL +REMARK 3 FREE R VALUE TEST SET SELECTION : THIN SHELLS, 5% +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT (NO CUTOFF). +REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.172 +REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL +REMARK 3 FREE R VALUE (NO CUTOFF) : 0.240 +REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL +REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL +REMARK 3 +REMARK 3 FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F). +REMARK 3 R VALUE (WORKING + TEST SET, F>4SIG(F)) : NULL +REMARK 3 R VALUE (WORKING SET, F>4SIG(F)) : NULL +REMARK 3 FREE R VALUE (F>4SIG(F)) : NULL +REMARK 3 FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : NULL +REMARK 3 FREE R VALUE TEST SET COUNT (F>4SIG(F)) : NULL +REMARK 3 TOTAL NUMBER OF REFLECTIONS (F>4SIG(F)) : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 1790 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 413 +REMARK 3 +REMARK 3 MODEL REFINEMENT. +REMARK 3 OCCUPANCY SUM OF NON-HYDROGEN ATOMS : NULL +REMARK 3 OCCUPANCY SUM OF HYDROGEN ATOMS : NULL +REMARK 3 NUMBER OF DISCRETELY DISORDERED RESIDUES : NULL +REMARK 3 NUMBER OF LEAST-SQUARES PARAMETERS : NULL +REMARK 3 NUMBER OF RESTRAINTS : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM RESTRAINT TARGET VALUES. +REMARK 3 BOND LENGTHS (A) : 0.007 +REMARK 3 ANGLE DISTANCES (A) : 0.025 +REMARK 3 SIMILAR DISTANCES (NO TARGET VALUES) (A) : NULL +REMARK 3 DISTANCES FROM RESTRAINT PLANES (A) : NULL +REMARK 3 ZERO CHIRAL VOLUMES (A**3) : NULL +REMARK 3 NON-ZERO CHIRAL VOLUMES (A**3) : NULL +REMARK 3 ANTI-BUMPING DISTANCE RESTRAINTS (A) : NULL +REMARK 3 RIGID-BOND ADP COMPONENTS (A**2) : NULL +REMARK 3 SIMILAR ADP COMPONENTS (A**2) : NULL +REMARK 3 APPROXIMATELY ISOTROPIC ADPS (A**2) : NULL +REMARK 3 +REMARK 3 BULK SOLVENT MODELING. +REMARK 3 METHOD USED: NULL +REMARK 3 +REMARK 3 STEREOCHEMISTRY TARGET VALUES : ENGH& HUBER +REMARK 3 SPECIAL CASE: NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1D4W COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-OCT-99. +REMARK 100 THE DEPOSITION ID IS D_1000009796. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : NULL +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 5.6 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : N +REMARK 200 RADIATION SOURCE : ROTATING ANODE +REMARK 200 BEAMLINE : NULL +REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU300 +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 +REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 94.8 +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : 0.07600 +REMARK 200 R SYM (I) : NULL +REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL +REMARK 200 SOFTWARE USED: AMORE +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 52.77 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.60 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 30% PEG 8000, 20% GLYCEROL, 100 MM +REMARK 280 SODIUM CITRATE, 10MM DTT, PH 5.6, VAPOR DIFFUSION, HANGING DROP, +REMARK 280 TEMPERATURE 22K, TEMPERATURE 295.0K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,Y,-Z +REMARK 290 3555 X+1/2,Y+1/2,Z +REMARK 290 4555 -X+1/2,Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 50.10000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 24.50000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 50.10000 +REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 24.50000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1, 2 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1700 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 6270 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -13.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 350 +REMARK 350 BIOMOLECULE: 2 +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC +REMARK 350 SOFTWARE USED: PISA +REMARK 350 TOTAL BURIED SURFACE AREA: 1790 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 5930 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -13.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, D +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 MET B 1 +REMARK 465 ASP B 2 +REMARK 465 LYS C 276 +REMARK 465 LYS D 276 +REMARK 470 +REMARK 470 MISSING ATOM +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; +REMARK 470 I=INSERTION CODE): +REMARK 470 M RES CSSEQI ATOMS +REMARK 470 ARG B 78 CG CD NE CZ NH1 NH2 +REMARK 470 LYS B 79 CG CD CE NZ +REMARK 470 LYS B 81 CG CD CE NZ +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 LYS B 10 44.75 -85.09 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 900 +REMARK 900 RELATED ENTRIES +REMARK 900 RELATED ID: 1D1Z RELATED DB: PDB +REMARK 900 STRUCTURE OF THE UNLIGANDED DOMAIN +REMARK 900 RELATED ID: 1D4T RELATED DB: PDB +REMARK 900 STRUCTURE OF THE SAP SH2 DOMAIN IN COMPLEX WITH NON-PHOSPHORYLATED +REMARK 900 PEPTIDE +DBREF 1D4W A 1 104 UNP O60880 SH21A_HUMAN 1 104 +DBREF 1D4W B 1 104 UNP O60880 SH21A_HUMAN 1 104 +DBREF 1D4W C 276 286 UNP Q13291 SLAF1_HUMAN 276 286 +DBREF 1D4W D 276 286 UNP Q13291 SLAF1_HUMAN 276 286 +SEQADV 1D4W PTR C 281 UNP Q13291 TYR 281 MODIFIED RESIDUE +SEQADV 1D4W PTR D 281 UNP Q13291 TYR 281 MODIFIED RESIDUE +SEQRES 1 A 104 MET ASP ALA VAL ALA VAL TYR HIS GLY LYS ILE SER ARG +SEQRES 2 A 104 GLU THR GLY GLU LYS LEU LEU LEU ALA THR GLY LEU ASP +SEQRES 3 A 104 GLY SER TYR LEU LEU ARG ASP SER GLU SER VAL PRO GLY +SEQRES 4 A 104 VAL TYR CYS LEU CYS VAL LEU TYR HIS GLY TYR ILE TYR +SEQRES 5 A 104 THR TYR ARG VAL SER GLN THR GLU THR GLY SER TRP SER +SEQRES 6 A 104 ALA GLU THR ALA PRO GLY VAL HIS LYS ARG TYR PHE ARG +SEQRES 7 A 104 LYS ILE LYS ASN LEU ILE SER ALA PHE GLN LYS PRO ASP +SEQRES 8 A 104 GLN GLY ILE VAL ILE PRO LEU GLN TYR PRO VAL GLU LYS +SEQRES 1 B 104 MET ASP ALA VAL ALA VAL TYR HIS GLY LYS ILE SER ARG +SEQRES 2 B 104 GLU THR GLY GLU LYS LEU LEU LEU ALA THR GLY LEU ASP +SEQRES 3 B 104 GLY SER TYR LEU LEU ARG ASP SER GLU SER VAL PRO GLY +SEQRES 4 B 104 VAL TYR CYS LEU CYS VAL LEU TYR HIS GLY TYR ILE TYR +SEQRES 5 B 104 THR TYR ARG VAL SER GLN THR GLU THR GLY SER TRP SER +SEQRES 6 B 104 ALA GLU THR ALA PRO GLY VAL HIS LYS ARG TYR PHE ARG +SEQRES 7 B 104 LYS ILE LYS ASN LEU ILE SER ALA PHE GLN LYS PRO ASP +SEQRES 8 B 104 GLN GLY ILE VAL ILE PRO LEU GLN TYR PRO VAL GLU LYS +SEQRES 1 C 11 LYS SER LEU THR ILE PTR ALA GLN VAL GLN LYS +SEQRES 1 D 11 LYS SER LEU THR ILE PTR ALA GLN VAL GLN LYS +MODRES 1D4W PTR C 281 TYR O-PHOSPHOTYROSINE +MODRES 1D4W PTR D 281 TYR O-PHOSPHOTYROSINE +HET PTR C 281 16 +HET PTR D 281 16 +HETNAM PTR O-PHOSPHOTYROSINE +HETSYN PTR PHOSPHONOTYROSINE +FORMUL 3 PTR 2(C9 H12 N O6 P) +FORMUL 5 HOH *413(H2 O) +HELIX 1 1 SER A 12 GLY A 24 1 13 +HELIX 2 2 LYS A 79 GLN A 88 1 10 +HELIX 3 1 SER B 12 GLY B 24 1 13 +HELIX 4 2 LYS B 79 GLN B 88 1 10 +SHEET 1 A 5 TYR B 100 PRO B 101 0 +SHEET 2 A 5 SER B 28 ASP B 33 1 N TYR B 29 O TYR B 100 +SHEET 3 A 5 TYR B 41 TYR B 47 -1 N CYS B 42 O ARG B 32 +SHEET 4 A 5 TYR B 50 GLN B 58 -1 O TYR B 50 N TYR B 47 +SHEET 5 A 5 TRP B 64 ALA B 66 -1 O SER B 65 N SER B 57 +SHEET 1 A1 5 TYR B 100 PRO B 101 0 +SHEET 2 A1 5 SER B 28 ASP B 33 1 N TYR B 29 O TYR B 100 +SHEET 3 A1 5 TYR B 41 TYR B 47 -1 N CYS B 42 O ARG B 32 +SHEET 4 A1 5 TYR B 50 GLN B 58 -1 O TYR B 50 N TYR B 47 +SHEET 5 A1 5 THR D 279 PTR D 281 1 O ILE D 280 N THR B 53 +LINK C ILE C 280 N PTR C 281 1555 1555 1.32 +LINK C PTR C 281 N ALA C 282 1555 1555 1.36 +LINK C ILE D 280 N PTR D 281 1555 1555 1.29 +LINK C PTR D 281 N ALA D 282 1555 1555 1.31 +CRYST1 100.200 49.000 55.600 90.00 94.20 90.00 C 1 2 1 8 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.009980 0.000000 0.000733 0.00000 +SCALE2 0.000000 0.020408 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.018034 0.00000 +ATOM 1 N MET A 1 26.051 1.884 4.655 1.00 75.27 N +ATOM 2 CA MET A 1 26.337 1.944 6.089 1.00 45.03 C +ATOM 3 C MET A 1 26.581 0.552 6.670 1.00 43.57 C +ATOM 4 O MET A 1 25.929 0.042 7.583 1.00 33.93 O +ATOM 5 CB MET A 1 25.200 2.658 6.801 1.00 54.57 C +ATOM 6 CG MET A 1 23.796 2.133 6.546 1.00 50.47 C +ATOM 7 SD MET A 1 22.753 2.454 7.994 1.00 41.53 S +ATOM 8 CE MET A 1 21.273 3.077 7.197 1.00155.29 C +ATOM 9 N ASP A 2 27.594 -0.082 6.091 1.00 44.61 N +ATOM 10 CA ASP A 2 27.972 -1.456 6.378 1.00 49.77 C +ATOM 11 C ASP A 2 28.561 -1.592 7.778 1.00 55.10 C +ATOM 12 O ASP A 2 28.533 -2.688 8.341 1.00 51.41 O +ATOM 13 CB ASP A 2 28.951 -1.952 5.308 1.00 47.77 C +ATOM 14 CG ASP A 2 28.235 -2.173 3.984 1.00 49.73 C +ATOM 15 OD1 ASP A 2 27.041 -2.544 3.981 1.00 45.75 O +ATOM 16 OD2 ASP A 2 28.863 -1.967 2.929 1.00 55.87 O +ATOM 17 N ALA A 3 29.041 -0.481 8.324 1.00 51.00 N +ATOM 18 CA ALA A 3 29.652 -0.385 9.640 1.00 45.50 C +ATOM 19 C ALA A 3 28.628 -0.552 10.757 1.00 35.21 C +ATOM 20 O ALA A 3 28.944 -0.597 11.949 1.00 27.01 O +ATOM 21 CB ALA A 3 30.360 0.953 9.807 1.00 36.20 C +ATOM 22 N VAL A 4 27.369 -0.633 10.344 1.00 21.02 N +ATOM 23 CA VAL A 4 26.317 -0.923 11.313 1.00 26.21 C +ATOM 24 C VAL A 4 26.169 -2.430 11.334 1.00 27.50 C +ATOM 25 O VAL A 4 25.710 -3.004 10.356 1.00 21.87 O +ATOM 26 CB VAL A 4 25.015 -0.196 10.937 1.00 22.79 C +ATOM 27 CG1 VAL A 4 23.884 -0.528 11.884 1.00 24.37 C +ATOM 28 CG2 VAL A 4 25.283 1.310 10.934 1.00 23.05 C +ATOM 29 N ALA A 5 26.582 -3.093 12.408 1.00 23.67 N +ATOM 30 CA ALA A 5 26.600 -4.560 12.375 1.00 26.01 C +ATOM 31 C ALA A 5 25.201 -5.118 12.221 1.00 20.30 C +ATOM 32 O ALA A 5 24.962 -6.171 11.620 1.00 15.00 O +ATOM 33 CB ALA A 5 27.274 -5.084 13.642 1.00 23.83 C +ATOM 34 N VAL A 6 24.230 -4.389 12.806 1.00 17.70 N +ATOM 35 CA VAL A 6 22.875 -4.905 12.727 1.00 15.53 C +ATOM 36 C VAL A 6 22.215 -4.608 11.381 1.00 14.73 C +ATOM 37 O VAL A 6 21.088 -5.099 11.180 1.00 18.64 O +ATOM 38 CB VAL A 6 21.926 -4.352 13.819 1.00 24.40 C +ATOM 39 CG1 VAL A 6 22.321 -4.884 15.185 1.00 19.63 C +ATOM 40 CG2 VAL A 6 21.904 -2.828 13.793 1.00 16.98 C +ATOM 41 N TYR A 7 22.862 -3.875 10.491 1.00 12.12 N +ATOM 42 CA TYR A 7 22.266 -3.560 9.179 1.00 15.91 C +ATOM 43 C TYR A 7 22.451 -4.680 8.166 1.00 20.15 C +ATOM 44 O TYR A 7 23.584 -5.044 7.862 1.00 18.88 O +ATOM 45 CB TYR A 7 22.871 -2.299 8.576 1.00 15.93 C +ATOM 46 CG TYR A 7 22.406 -1.996 7.165 1.00 24.10 C +ATOM 47 CD1 TYR A 7 21.055 -1.848 6.859 1.00 14.38 C +ATOM 48 CD2 TYR A 7 23.322 -1.850 6.134 1.00 22.43 C +ATOM 49 CE1 TYR A 7 20.671 -1.569 5.555 1.00 17.11 C +ATOM 50 CE2 TYR A 7 22.936 -1.573 4.831 1.00 28.32 C +ATOM 51 CZ TYR A 7 21.596 -1.434 4.546 1.00 23.70 C +ATOM 52 OH TYR A 7 21.183 -1.152 3.262 1.00 14.38 O +ATOM 53 N HIS A 8 21.353 -5.195 7.659 1.00 14.03 N +ATOM 54 CA HIS A 8 21.285 -6.251 6.680 1.00 18.84 C +ATOM 55 C HIS A 8 20.756 -5.650 5.369 1.00 25.63 C +ATOM 56 O HIS A 8 19.549 -5.529 5.153 1.00 17.02 O +ATOM 57 CB HIS A 8 20.380 -7.381 7.149 1.00 14.38 C +ATOM 58 CG HIS A 8 20.838 -8.145 8.350 1.00 15.19 C +ATOM 59 ND1 HIS A 8 20.973 -7.613 9.606 1.00 19.86 N +ATOM 60 CD2 HIS A 8 21.210 -9.452 8.454 1.00 17.07 C +ATOM 61 CE1 HIS A 8 21.399 -8.546 10.438 1.00 25.00 C +ATOM 62 NE2 HIS A 8 21.548 -9.679 9.763 1.00 22.46 N +ATOM 63 N GLY A 9 21.681 -5.268 4.509 1.00 18.13 N +ATOM 64 CA GLY A 9 21.382 -4.548 3.296 1.00 20.14 C +ATOM 65 C GLY A 9 20.880 -5.393 2.162 1.00 15.18 C +ATOM 66 O GLY A 9 20.530 -4.888 1.083 1.00 18.83 O +ATOM 67 N LYS A 10 20.793 -6.720 2.326 1.00 14.31 N +ATOM 68 CA LYS A 10 20.320 -7.445 1.133 1.00 13.08 C +ATOM 69 C LYS A 10 19.066 -8.230 1.425 1.00 27.27 C +ATOM 70 O LYS A 10 18.543 -8.990 0.598 1.00 25.48 O +ATOM 71 CB LYS A 10 21.465 -8.325 0.606 1.00 31.68 C +ATOM 72 CG LYS A 10 22.422 -7.478 -0.233 1.00 40.72 C +ATOM 73 CD LYS A 10 23.697 -8.219 -0.590 1.00 57.40 C +ATOM 74 CE LYS A 10 24.526 -7.426 -1.593 1.00 67.96 C +ATOM 75 NZ LYS A 10 25.978 -7.759 -1.511 1.00 74.24 N +ATOM 76 N ILE A 11 18.525 -8.052 2.636 1.00 16.47 N +ATOM 77 CA ILE A 11 17.365 -8.877 2.965 1.00 15.33 C +ATOM 78 C ILE A 11 16.041 -8.169 2.728 1.00 23.41 C +ATOM 79 O ILE A 11 15.920 -6.945 2.761 1.00 22.63 O +ATOM 80 CB ILE A 11 17.364 -9.341 4.433 1.00 21.01 C +ATOM 81 CG1 ILE A 11 17.151 -8.213 5.447 1.00 17.93 C +ATOM 82 CG2 ILE A 11 18.629 -10.146 4.686 1.00 21.32 C +ATOM 83 CD1 ILE A 11 17.104 -8.663 6.893 1.00 9.79 C +ATOM 84 N SER A 12 15.064 -9.035 2.489 1.00 14.05 N +ATOM 85 CA SER A 12 13.671 -8.644 2.371 1.00 10.43 C +ATOM 86 C SER A 12 12.987 -8.548 3.735 1.00 12.69 C +ATOM 87 O SER A 12 13.529 -8.952 4.759 1.00 19.23 O +ATOM 88 CB SER A 12 12.928 -9.713 1.543 1.00 19.22 C +ATOM 89 OG SER A 12 12.879 -10.875 2.388 1.00 18.64 O +ATOM 90 N ARG A 13 11.767 -8.027 3.747 1.00 13.77 N +ATOM 91 CA ARG A 13 10.995 -7.931 4.971 1.00 14.34 C +ATOM 92 C ARG A 13 10.747 -9.317 5.563 1.00 14.67 C +ATOM 93 O ARG A 13 10.910 -9.534 6.757 1.00 18.87 O +ATOM 94 CB ARG A 13 9.665 -7.203 4.697 1.00 12.40 C +ATOM 95 CG ARG A 13 8.634 -7.545 5.785 1.00 20.95 C +ATOM 96 CD ARG A 13 7.354 -6.757 5.576 1.00 23.81 C +ATOM 97 NE ARG A 13 6.471 -7.363 4.598 1.00 36.95 N +ATOM 98 CZ ARG A 13 5.151 -7.193 4.612 1.00 60.82 C +ATOM 99 NH1 ARG A 13 4.544 -6.450 5.532 1.00 33.42 N +ATOM 100 NH2 ARG A 13 4.404 -7.779 3.681 1.00102.55 N +ATOM 101 N GLU A 14 10.346 -10.265 4.714 1.00 18.83 N +ATOM 102 CA GLU A 14 10.097 -11.648 5.110 1.00 16.18 C +ATOM 103 C GLU A 14 11.339 -12.278 5.733 1.00 15.47 C +ATOM 104 O GLU A 14 11.242 -12.945 6.765 1.00 21.87 O +ATOM 105 CB GLU A 14 9.657 -12.459 3.889 1.00 24.65 C +ATOM 106 CG GLU A 14 9.138 -13.851 4.164 1.00 33.83 C +ATOM 107 CD GLU A 14 8.553 -14.544 2.946 1.00 51.32 C +ATOM 108 OE1 GLU A 14 8.293 -13.898 1.910 1.00 60.19 O +ATOM 109 OE2 GLU A 14 8.343 -15.777 3.011 1.00 76.25 O +ATOM 110 N THR A 15 12.485 -12.043 5.096 1.00 15.79 N +ATOM 111 CA THR A 15 13.765 -12.556 5.603 1.00 22.24 C +ATOM 112 C THR A 15 14.038 -11.892 6.946 1.00 21.56 C +ATOM 113 O THR A 15 14.399 -12.617 7.879 1.00 19.95 O +ATOM 114 CB THR A 15 14.932 -12.341 4.627 1.00 26.09 C +ATOM 115 OG1 THR A 15 14.684 -13.086 3.420 1.00 30.40 O +ATOM 116 CG2 THR A 15 16.263 -12.871 5.146 1.00 16.97 C +ATOM 117 N GLY A 16 13.832 -10.580 7.032 1.00 14.27 N +ATOM 118 CA GLY A 16 13.913 -9.914 8.332 1.00 14.80 C +ATOM 119 C GLY A 16 13.041 -10.553 9.392 1.00 16.59 C +ATOM 120 O GLY A 16 13.493 -10.823 10.512 1.00 16.27 O +ATOM 121 N GLU A 17 11.769 -10.844 9.136 1.00 14.52 N +ATOM 122 CA GLU A 17 10.927 -11.517 10.122 1.00 16.05 C +ATOM 123 C GLU A 17 11.455 -12.888 10.510 1.00 19.44 C +ATOM 124 O GLU A 17 11.472 -13.292 11.673 1.00 13.92 O +ATOM 125 CB GLU A 17 9.488 -11.633 9.584 1.00 18.46 C +ATOM 126 CG GLU A 17 8.916 -10.314 9.081 1.00 12.45 C +ATOM 127 CD GLU A 17 7.546 -10.485 8.459 1.00 26.98 C +ATOM 128 OE1 GLU A 17 7.073 -11.620 8.306 1.00 23.20 O +ATOM 129 OE2 GLU A 17 6.906 -9.477 8.092 1.00 21.17 O +ATOM 130 N LYS A 18 11.920 -13.698 9.546 1.00 24.94 N +ATOM 131 CA LYS A 18 12.394 -15.034 9.917 1.00 22.12 C +ATOM 132 C LYS A 18 13.650 -14.996 10.781 1.00 18.62 C +ATOM 133 O LYS A 18 13.819 -15.809 11.685 1.00 27.61 O +ATOM 134 CB LYS A 18 12.686 -15.867 8.660 1.00 20.93 C +ATOM 135 CG LYS A 18 11.453 -16.150 7.814 1.00 32.62 C +ATOM 136 CD LYS A 18 11.835 -17.109 6.691 1.00 60.47 C +ATOM 137 CE LYS A 18 10.757 -17.202 5.618 1.00 71.28 C +ATOM 138 NZ LYS A 18 11.344 -17.205 4.246 1.00 65.66 N +ATOM 139 N LEU A 19 14.558 -14.054 10.522 1.00 11.56 N +ATOM 140 CA LEU A 19 15.760 -13.957 11.332 1.00 16.70 C +ATOM 141 C LEU A 19 15.412 -13.623 12.774 1.00 19.45 C +ATOM 142 O LEU A 19 15.970 -14.205 13.709 1.00 19.83 O +ATOM 143 CB LEU A 19 16.709 -12.900 10.762 1.00 17.36 C +ATOM 144 CG LEU A 19 17.559 -13.293 9.562 1.00 20.58 C +ATOM 145 CD1 LEU A 19 18.001 -12.049 8.817 1.00 21.76 C +ATOM 146 CD2 LEU A 19 18.783 -14.082 9.993 1.00 21.01 C +ATOM 147 N LEU A 20 14.491 -12.672 12.927 1.00 18.68 N +ATOM 148 CA LEU A 20 14.130 -12.236 14.285 1.00 19.33 C +ATOM 149 C LEU A 20 13.389 -13.345 15.011 1.00 16.92 C +ATOM 150 O LEU A 20 13.670 -13.677 16.162 1.00 20.05 O +ATOM 151 CB LEU A 20 13.298 -10.951 14.195 1.00 17.32 C +ATOM 152 CG LEU A 20 14.134 -9.717 13.799 1.00 18.23 C +ATOM 153 CD1 LEU A 20 13.263 -8.472 13.710 1.00 15.06 C +ATOM 154 CD2 LEU A 20 15.270 -9.512 14.799 1.00 16.16 C +ATOM 155 N LEU A 21 12.416 -13.911 14.286 1.00 17.51 N +ATOM 156 CA LEU A 21 11.632 -14.968 14.921 1.00 15.84 C +ATOM 157 C LEU A 21 12.567 -16.101 15.336 1.00 24.44 C +ATOM 158 O LEU A 21 12.393 -16.731 16.382 1.00 24.18 O +ATOM 159 CB LEU A 21 10.495 -15.467 14.038 1.00 22.45 C +ATOM 160 CG LEU A 21 9.313 -14.495 13.851 1.00 22.77 C +ATOM 161 CD1 LEU A 21 8.627 -14.768 12.520 1.00 21.95 C +ATOM 162 CD2 LEU A 21 8.346 -14.592 15.014 1.00 22.12 C +ATOM 163 N ALA A 22 13.611 -16.351 14.551 1.00 16.58 N +ATOM 164 CA ALA A 22 14.481 -17.480 14.892 1.00 22.06 C +ATOM 165 C ALA A 22 15.135 -17.278 16.249 1.00 25.09 C +ATOM 166 O ALA A 22 15.626 -18.237 16.847 1.00 25.73 O +ATOM 167 CB ALA A 22 15.556 -17.683 13.829 1.00 28.17 C +ATOM 168 N THR A 23 15.182 -16.057 16.781 1.00 26.93 N +ATOM 169 CA THR A 23 15.885 -15.868 18.039 1.00 22.17 C +ATOM 170 C THR A 23 15.018 -16.334 19.210 1.00 25.74 C +ATOM 171 O THR A 23 15.536 -16.624 20.296 1.00 21.78 O +ATOM 172 CB THR A 23 16.277 -14.404 18.312 1.00 25.06 C +ATOM 173 OG1 THR A 23 15.069 -13.635 18.384 1.00 21.79 O +ATOM 174 CG2 THR A 23 17.141 -13.839 17.201 1.00 19.19 C +ATOM 175 N GLY A 24 13.713 -16.375 18.966 1.00 21.15 N +ATOM 176 CA GLY A 24 12.751 -16.696 20.011 1.00 25.14 C +ATOM 177 C GLY A 24 12.849 -15.764 21.204 1.00 32.15 C +ATOM 178 O GLY A 24 12.477 -16.088 22.340 1.00 30.24 O +ATOM 179 N LEU A 25 13.363 -14.558 20.963 1.00 24.70 N +ATOM 180 CA LEU A 25 13.737 -13.678 22.051 1.00 17.66 C +ATOM 181 C LEU A 25 13.245 -12.248 21.846 1.00 19.64 C +ATOM 182 O LEU A 25 13.783 -11.574 20.969 1.00 19.65 O +ATOM 183 CB LEU A 25 15.268 -13.711 22.154 1.00 22.64 C +ATOM 184 CG LEU A 25 15.827 -12.950 23.353 1.00 28.69 C +ATOM 185 CD1 LEU A 25 14.970 -13.252 24.574 1.00 44.20 C +ATOM 186 CD2 LEU A 25 17.280 -13.315 23.585 1.00 29.25 C +ATOM 187 N ASP A 26 12.268 -11.826 22.645 1.00 22.37 N +ATOM 188 CA ASP A 26 11.648 -10.512 22.551 1.00 20.21 C +ATOM 189 C ASP A 26 12.735 -9.462 22.679 1.00 16.82 C +ATOM 190 O ASP A 26 13.642 -9.563 23.502 1.00 18.39 O +ATOM 191 CB ASP A 26 10.559 -10.281 23.611 1.00 16.19 C +ATOM 192 CG ASP A 26 9.257 -10.970 23.284 1.00 22.78 C +ATOM 193 OD1 ASP A 26 8.438 -11.232 24.187 1.00 32.77 O +ATOM 194 OD2 ASP A 26 8.998 -11.290 22.112 1.00 20.80 O +ATOM 195 N GLY A 27 12.687 -8.423 21.841 1.00 13.16 N +ATOM 196 CA GLY A 27 13.711 -7.398 22.029 1.00 8.57 C +ATOM 197 C GLY A 27 14.875 -7.583 21.066 1.00 18.16 C +ATOM 198 O GLY A 27 15.712 -6.672 21.043 1.00 17.63 O +ATOM 199 N SER A 28 14.890 -8.696 20.327 1.00 13.31 N +ATOM 200 CA SER A 28 15.900 -8.869 19.275 1.00 17.42 C +ATOM 201 C SER A 28 15.599 -7.939 18.106 1.00 17.17 C +ATOM 202 O SER A 28 14.430 -7.765 17.761 1.00 14.95 O +ATOM 203 CB SER A 28 15.972 -10.319 18.803 1.00 22.78 C +ATOM 204 OG SER A 28 16.249 -11.168 19.912 1.00 24.13 O +ATOM 205 N TYR A 29 16.621 -7.319 17.507 1.00 14.10 N +ATOM 206 CA TYR A 29 16.322 -6.310 16.489 1.00 15.43 C +ATOM 207 C TYR A 29 17.367 -6.305 15.379 1.00 12.59 C +ATOM 208 O TYR A 29 18.483 -6.785 15.528 1.00 16.04 O +ATOM 209 CB TYR A 29 16.267 -4.897 17.070 1.00 12.32 C +ATOM 210 CG TYR A 29 17.587 -4.408 17.645 1.00 12.79 C +ATOM 211 CD1 TYR A 29 18.411 -3.550 16.922 1.00 10.69 C +ATOM 212 CD2 TYR A 29 18.015 -4.788 18.907 1.00 12.35 C +ATOM 213 CE1 TYR A 29 19.615 -3.084 17.407 1.00 12.92 C +ATOM 214 CE2 TYR A 29 19.218 -4.332 19.412 1.00 15.52 C +ATOM 215 CZ TYR A 29 20.009 -3.485 18.665 1.00 19.52 C +ATOM 216 OH TYR A 29 21.207 -3.027 19.169 1.00 17.76 O +ATOM 217 N LEU A 30 16.984 -5.735 14.254 1.00 12.68 N +ATOM 218 CA LEU A 30 17.880 -5.494 13.133 1.00 16.92 C +ATOM 219 C LEU A 30 17.423 -4.269 12.343 1.00 18.81 C +ATOM 220 O LEU A 30 16.365 -3.669 12.502 1.00 11.60 O +ATOM 221 CB LEU A 30 17.989 -6.731 12.229 1.00 16.81 C +ATOM 222 CG LEU A 30 16.717 -7.325 11.618 1.00 16.13 C +ATOM 223 CD1 LEU A 30 16.189 -6.604 10.386 1.00 15.04 C +ATOM 224 CD2 LEU A 30 16.960 -8.781 11.218 1.00 15.85 C +ATOM 225 N LEU A 31 18.290 -3.898 11.396 1.00 15.66 N +ATOM 226 CA LEU A 31 17.978 -2.814 10.486 1.00 12.41 C +ATOM 227 C LEU A 31 18.000 -3.392 9.073 1.00 18.67 C +ATOM 228 O LEU A 31 18.892 -4.217 8.856 1.00 14.96 O +ATOM 229 CB LEU A 31 18.981 -1.677 10.634 1.00 14.93 C +ATOM 230 CG LEU A 31 18.678 -0.373 9.885 1.00 16.87 C +ATOM 231 CD1 LEU A 31 17.547 0.382 10.573 1.00 12.92 C +ATOM 232 CD2 LEU A 31 19.945 0.459 9.808 1.00 21.86 C +ATOM 233 N ARG A 32 17.069 -2.965 8.223 1.00 15.95 N +ATOM 234 CA ARG A 32 17.064 -3.448 6.841 1.00 13.22 C +ATOM 235 C ARG A 32 16.591 -2.315 5.942 1.00 17.15 C +ATOM 236 O ARG A 32 16.175 -1.290 6.470 1.00 15.61 O +ATOM 237 CB ARG A 32 16.156 -4.664 6.711 1.00 17.08 C +ATOM 238 CG ARG A 32 14.688 -4.372 7.011 1.00 11.47 C +ATOM 239 CD ARG A 32 13.835 -5.573 6.650 1.00 12.14 C +ATOM 240 NE ARG A 32 12.436 -5.415 7.057 1.00 16.39 N +ATOM 241 CZ ARG A 32 11.516 -4.706 6.425 1.00 18.81 C +ATOM 242 NH1 ARG A 32 11.841 -4.063 5.309 1.00 15.51 N +ATOM 243 NH2 ARG A 32 10.274 -4.651 6.913 1.00 13.22 N +ATOM 244 N ASP A 33 16.670 -2.494 4.623 1.00 12.62 N +ATOM 245 CA ASP A 33 16.100 -1.496 3.737 1.00 10.92 C +ATOM 246 C ASP A 33 14.582 -1.627 3.719 1.00 12.91 C +ATOM 247 O ASP A 33 14.044 -2.735 3.815 1.00 14.91 O +ATOM 248 CB ASP A 33 16.570 -1.719 2.300 1.00 15.68 C +ATOM 249 CG ASP A 33 18.046 -1.493 2.070 1.00 18.51 C +ATOM 250 OD1 ASP A 33 18.453 -1.661 0.892 1.00 18.68 O +ATOM 251 OD2 ASP A 33 18.771 -1.137 3.021 1.00 16.49 O +ATOM 252 N SER A 34 13.867 -0.533 3.552 1.00 8.87 N +ATOM 253 CA SER A 34 12.433 -0.637 3.322 1.00 10.81 C +ATOM 254 C SER A 34 12.161 -1.294 1.974 1.00 19.12 C +ATOM 255 O SER A 34 12.916 -1.024 1.022 1.00 18.05 O +ATOM 256 CB SER A 34 11.797 0.759 3.329 1.00 12.09 C +ATOM 257 OG SER A 34 10.410 0.612 3.005 1.00 15.78 O +ATOM 258 N GLU A 35 11.129 -2.132 1.901 1.00 13.38 N +ATOM 259 CA GLU A 35 10.761 -2.674 0.587 1.00 17.54 C +ATOM 260 C GLU A 35 9.524 -1.956 0.042 1.00 19.78 C +ATOM 261 O GLU A 35 8.914 -2.423 -0.929 1.00 18.09 O +ATOM 262 CB GLU A 35 10.539 -4.188 0.645 1.00 19.11 C +ATOM 263 CG GLU A 35 9.521 -4.664 1.667 1.00 23.10 C +ATOM 264 CD GLU A 35 9.043 -6.079 1.399 1.00 32.10 C +ATOM 265 OE1 GLU A 35 7.812 -6.303 1.386 1.00 42.18 O +ATOM 266 OE2 GLU A 35 9.898 -6.956 1.196 1.00 34.79 O +ATOM 267 N SER A 36 9.161 -0.829 0.658 1.00 16.36 N +ATOM 268 CA SER A 36 8.045 -0.022 0.195 1.00 15.55 C +ATOM 269 C SER A 36 8.456 1.413 -0.140 1.00 19.92 C +ATOM 270 O SER A 36 7.839 2.068 -0.977 1.00 17.24 O +ATOM 271 CB SER A 36 6.909 0.092 1.221 1.00 15.40 C +ATOM 272 OG SER A 36 6.448 -1.176 1.598 1.00 18.76 O +ATOM 273 N VAL A 37 9.469 1.913 0.550 1.00 17.36 N +ATOM 274 CA VAL A 37 9.894 3.296 0.352 1.00 19.26 C +ATOM 275 C VAL A 37 11.365 3.273 -0.048 1.00 21.67 C +ATOM 276 O VAL A 37 12.198 3.132 0.842 1.00 14.07 O +ATOM 277 CB VAL A 37 9.719 4.177 1.599 1.00 23.54 C +ATOM 278 CG1 VAL A 37 9.965 5.651 1.269 1.00 17.00 C +ATOM 279 CG2 VAL A 37 8.332 4.001 2.205 1.00 18.79 C +ATOM 280 N PRO A 38 11.689 3.423 -1.329 1.00 23.05 N +ATOM 281 CA PRO A 38 13.105 3.435 -1.705 1.00 15.91 C +ATOM 282 C PRO A 38 13.888 4.489 -0.936 1.00 12.25 C +ATOM 283 O PRO A 38 13.499 5.647 -0.802 1.00 16.32 O +ATOM 284 CB PRO A 38 13.093 3.790 -3.208 1.00 15.41 C +ATOM 285 CG PRO A 38 11.737 3.329 -3.651 1.00 16.76 C +ATOM 286 CD PRO A 38 10.802 3.589 -2.496 1.00 15.89 C +ATOM 287 N GLY A 39 15.053 4.053 -0.453 1.00 12.97 N +ATOM 288 CA GLY A 39 15.966 4.986 0.165 1.00 25.20 C +ATOM 289 C GLY A 39 15.707 5.099 1.663 1.00 21.08 C +ATOM 290 O GLY A 39 16.502 5.784 2.293 1.00 21.94 O +ATOM 291 N VAL A 40 14.643 4.456 2.145 1.00 17.71 N +ATOM 292 CA VAL A 40 14.337 4.510 3.587 1.00 15.56 C +ATOM 293 C VAL A 40 14.726 3.187 4.239 1.00 20.25 C +ATOM 294 O VAL A 40 14.839 2.163 3.544 1.00 14.31 O +ATOM 295 CB VAL A 40 12.860 4.902 3.762 1.00 16.31 C +ATOM 296 CG1 VAL A 40 12.300 4.671 5.161 1.00 14.35 C +ATOM 297 CG2 VAL A 40 12.704 6.388 3.429 1.00 23.69 C +ATOM 298 N TYR A 41 14.951 3.171 5.553 1.00 11.88 N +ATOM 299 CA TYR A 41 15.368 1.953 6.249 1.00 9.10 C +ATOM 300 C TYR A 41 14.294 1.544 7.256 1.00 6.47 C +ATOM 301 O TYR A 41 13.407 2.368 7.473 1.00 11.58 O +ATOM 302 CB TYR A 41 16.687 2.142 7.001 1.00 7.93 C +ATOM 303 CG TYR A 41 17.758 2.582 6.015 1.00 19.58 C +ATOM 304 CD1 TYR A 41 18.016 3.923 5.813 1.00 20.31 C +ATOM 305 CD2 TYR A 41 18.470 1.631 5.298 1.00 23.36 C +ATOM 306 CE1 TYR A 41 18.980 4.338 4.917 1.00 28.49 C +ATOM 307 CE2 TYR A 41 19.436 2.046 4.403 1.00 31.93 C +ATOM 308 CZ TYR A 41 19.683 3.385 4.217 1.00 32.92 C +ATOM 309 OH TYR A 41 20.653 3.781 3.322 1.00 45.40 O +ATOM 310 N CYS A 42 14.413 0.332 7.771 1.00 10.11 N +ATOM 311 CA CYS A 42 13.429 -0.159 8.739 1.00 12.22 C +ATOM 312 C CYS A 42 14.111 -0.800 9.940 1.00 13.43 C +ATOM 313 O CYS A 42 14.859 -1.759 9.808 1.00 12.79 O +ATOM 314 CB CYS A 42 12.513 -1.204 8.094 1.00 9.73 C +ATOM 315 SG CYS A 42 11.410 -0.461 6.860 1.00 12.69 S +ATOM 316 N LEU A 43 13.841 -0.234 11.101 1.00 14.41 N +ATOM 317 CA LEU A 43 14.321 -0.771 12.366 1.00 12.56 C +ATOM 318 C LEU A 43 13.252 -1.712 12.920 1.00 14.75 C +ATOM 319 O LEU A 43 12.124 -1.270 13.164 1.00 10.42 O +ATOM 320 CB LEU A 43 14.638 0.409 13.268 1.00 15.77 C +ATOM 321 CG LEU A 43 15.105 0.089 14.692 1.00 18.28 C +ATOM 322 CD1 LEU A 43 16.475 -0.564 14.631 1.00 18.35 C +ATOM 323 CD2 LEU A 43 15.107 1.376 15.491 1.00 21.15 C +ATOM 324 N CYS A 44 13.611 -2.982 13.079 1.00 13.88 N +ATOM 325 CA CYS A 44 12.686 -4.091 13.294 1.00 10.10 C +ATOM 326 C CYS A 44 12.949 -4.720 14.660 1.00 13.81 C +ATOM 327 O CYS A 44 14.093 -5.092 14.873 1.00 14.91 O +ATOM 328 CB CYS A 44 12.844 -5.160 12.210 1.00 12.32 C +ATOM 329 SG CYS A 44 12.702 -4.498 10.511 1.00 14.70 S +ATOM 330 N VAL A 45 11.936 -4.832 15.498 1.00 6.86 N +ATOM 331 CA VAL A 45 12.149 -5.457 16.801 1.00 8.89 C +ATOM 332 C VAL A 45 11.004 -6.422 17.083 1.00 15.99 C +ATOM 333 O VAL A 45 9.825 -6.140 16.836 1.00 13.51 O +ATOM 334 CB VAL A 45 12.293 -4.404 17.915 1.00 12.53 C +ATOM 335 CG1 VAL A 45 11.044 -3.530 18.003 1.00 10.89 C +ATOM 336 CG2 VAL A 45 12.558 -5.070 19.258 1.00 13.30 C +ATOM 337 N LEU A 46 11.395 -7.576 17.610 1.00 12.20 N +ATOM 338 CA LEU A 46 10.467 -8.645 17.947 1.00 12.49 C +ATOM 339 C LEU A 46 9.714 -8.453 19.257 1.00 16.45 C +ATOM 340 O LEU A 46 10.333 -8.250 20.295 1.00 17.08 O +ATOM 341 CB LEU A 46 11.250 -9.976 18.050 1.00 16.74 C +ATOM 342 CG LEU A 46 10.376 -11.218 18.289 1.00 13.52 C +ATOM 343 CD1 LEU A 46 9.390 -11.503 17.165 1.00 17.91 C +ATOM 344 CD2 LEU A 46 11.282 -12.423 18.528 1.00 15.44 C +ATOM 345 N TYR A 47 8.380 -8.547 19.239 1.00 14.37 N +ATOM 346 CA TYR A 47 7.609 -8.529 20.469 1.00 17.79 C +ATOM 347 C TYR A 47 6.416 -9.479 20.360 1.00 12.74 C +ATOM 348 O TYR A 47 5.520 -9.228 19.565 1.00 15.24 O +ATOM 349 CB TYR A 47 7.177 -7.093 20.831 1.00 17.13 C +ATOM 350 CG TYR A 47 6.279 -7.066 22.062 1.00 15.54 C +ATOM 351 CD1 TYR A 47 4.892 -7.048 21.942 1.00 16.73 C +ATOM 352 CD2 TYR A 47 6.840 -7.075 23.337 1.00 12.42 C +ATOM 353 CE1 TYR A 47 4.039 -7.032 23.032 1.00 11.57 C +ATOM 354 CE2 TYR A 47 5.984 -7.058 24.427 1.00 19.46 C +ATOM 355 CZ TYR A 47 4.618 -7.037 24.281 1.00 19.67 C +ATOM 356 OH TYR A 47 3.761 -7.016 25.377 1.00 19.03 O +ATOM 357 N HIS A 48 6.376 -10.528 21.163 1.00 11.44 N +ATOM 358 CA HIS A 48 5.251 -11.458 21.228 1.00 14.48 C +ATOM 359 C HIS A 48 4.825 -11.911 19.827 1.00 18.27 C +ATOM 360 O HIS A 48 3.673 -11.823 19.402 1.00 22.49 O +ATOM 361 CB HIS A 48 4.106 -10.825 22.032 1.00 19.52 C +ATOM 362 CG HIS A 48 4.410 -10.605 23.481 1.00 26.71 C +ATOM 363 ND1 HIS A 48 3.432 -10.491 24.446 1.00 33.89 N +ATOM 364 CD2 HIS A 48 5.575 -10.470 24.163 1.00 25.47 C +ATOM 365 CE1 HIS A 48 3.962 -10.300 25.644 1.00 32.11 C +ATOM 366 NE2 HIS A 48 5.277 -10.286 25.497 1.00 32.67 N +ATOM 367 N GLY A 49 5.789 -12.399 19.037 1.00 17.82 N +ATOM 368 CA GLY A 49 5.504 -13.013 17.760 1.00 18.61 C +ATOM 369 C GLY A 49 5.381 -12.085 16.568 1.00 24.08 C +ATOM 370 O GLY A 49 5.290 -12.574 15.435 1.00 16.01 O +ATOM 371 N TYR A 50 5.359 -10.771 16.778 1.00 16.95 N +ATOM 372 CA TYR A 50 5.209 -9.772 15.737 1.00 12.16 C +ATOM 373 C TYR A 50 6.450 -8.885 15.611 1.00 14.04 C +ATOM 374 O TYR A 50 7.154 -8.754 16.620 1.00 12.11 O +ATOM 375 CB TYR A 50 3.992 -8.865 16.008 1.00 10.62 C +ATOM 376 CG TYR A 50 2.706 -9.578 15.640 1.00 10.67 C +ATOM 377 CD1 TYR A 50 2.242 -10.584 16.480 1.00 12.96 C +ATOM 378 CD2 TYR A 50 2.012 -9.242 14.487 1.00 10.56 C +ATOM 379 CE1 TYR A 50 1.069 -11.260 16.173 1.00 11.60 C +ATOM 380 CE2 TYR A 50 0.839 -9.915 14.169 1.00 16.95 C +ATOM 381 CZ TYR A 50 0.391 -10.912 15.030 1.00 14.79 C +ATOM 382 OH TYR A 50 -0.766 -11.581 14.705 1.00 18.08 O +ATOM 383 N ILE A 51 6.665 -8.338 14.404 1.00 10.13 N +ATOM 384 CA ILE A 51 7.873 -7.502 14.203 1.00 9.11 C +ATOM 385 C ILE A 51 7.502 -6.027 14.070 1.00 11.11 C +ATOM 386 O ILE A 51 6.986 -5.538 13.055 1.00 13.32 O +ATOM 387 CB ILE A 51 8.675 -8.003 13.002 1.00 16.37 C +ATOM 388 CG1 ILE A 51 9.265 -9.402 13.218 1.00 23.37 C +ATOM 389 CG2 ILE A 51 9.809 -7.040 12.678 1.00 11.96 C +ATOM 390 CD1 ILE A 51 8.275 -10.536 13.150 1.00 24.85 C +ATOM 391 N TYR A 52 7.718 -5.277 15.145 1.00 14.62 N +ATOM 392 CA TYR A 52 7.361 -3.857 15.178 1.00 11.32 C +ATOM 393 C TYR A 52 8.430 -3.114 14.408 1.00 10.99 C +ATOM 394 O TYR A 52 9.602 -3.232 14.720 1.00 12.41 O +ATOM 395 CB TYR A 52 7.185 -3.380 16.647 1.00 5.90 C +ATOM 396 CG TYR A 52 5.909 -4.110 17.084 1.00 7.23 C +ATOM 397 CD1 TYR A 52 6.001 -5.382 17.638 1.00 12.19 C +ATOM 398 CD2 TYR A 52 4.669 -3.547 16.905 1.00 11.11 C +ATOM 399 CE1 TYR A 52 4.854 -6.045 18.024 1.00 9.39 C +ATOM 400 CE2 TYR A 52 3.503 -4.212 17.292 1.00 11.68 C +ATOM 401 CZ TYR A 52 3.616 -5.459 17.849 1.00 9.18 C +ATOM 402 OH TYR A 52 2.461 -6.135 18.220 1.00 16.23 O +ATOM 403 N THR A 53 8.031 -2.383 13.392 1.00 9.18 N +ATOM 404 CA THR A 53 8.976 -1.841 12.427 1.00 9.39 C +ATOM 405 C THR A 53 8.832 -0.331 12.347 1.00 16.38 C +ATOM 406 O THR A 53 7.710 0.114 12.190 1.00 14.72 O +ATOM 407 CB THR A 53 8.720 -2.524 11.070 1.00 12.00 C +ATOM 408 OG1 THR A 53 8.706 -3.943 11.315 1.00 12.43 O +ATOM 409 CG2 THR A 53 9.829 -2.210 10.087 1.00 15.16 C +ATOM 410 N TYR A 54 9.935 0.387 12.482 1.00 12.71 N +ATOM 411 CA TYR A 54 10.005 1.828 12.516 1.00 12.62 C +ATOM 412 C TYR A 54 10.808 2.309 11.314 1.00 16.94 C +ATOM 413 O TYR A 54 11.986 1.962 11.212 1.00 12.36 O +ATOM 414 CB TYR A 54 10.645 2.292 13.840 1.00 14.42 C +ATOM 415 CG TYR A 54 9.769 1.862 15.025 1.00 12.89 C +ATOM 416 CD1 TYR A 54 9.891 0.577 15.547 1.00 13.62 C +ATOM 417 CD2 TYR A 54 8.847 2.706 15.602 1.00 10.40 C +ATOM 418 CE1 TYR A 54 9.130 0.123 16.613 1.00 9.31 C +ATOM 419 CE2 TYR A 54 8.065 2.273 16.675 1.00 12.00 C +ATOM 420 CZ TYR A 54 8.216 0.996 17.172 1.00 10.08 C +ATOM 421 OH TYR A 54 7.431 0.588 18.225 1.00 13.74 O +ATOM 422 N ARG A 55 10.171 3.078 10.420 1.00 11.09 N +ATOM 423 CA ARG A 55 10.915 3.558 9.262 1.00 10.75 C +ATOM 424 C ARG A 55 11.885 4.640 9.683 1.00 11.39 C +ATOM 425 O ARG A 55 11.519 5.507 10.469 1.00 17.86 O +ATOM 426 CB ARG A 55 9.916 4.059 8.212 1.00 14.39 C +ATOM 427 CG ARG A 55 9.299 2.816 7.559 1.00 11.62 C +ATOM 428 CD ARG A 55 8.579 3.159 6.271 1.00 17.55 C +ATOM 429 NE ARG A 55 7.851 1.982 5.782 1.00 19.59 N +ATOM 430 CZ ARG A 55 6.635 2.101 5.245 1.00 33.23 C +ATOM 431 NH1 ARG A 55 6.074 3.302 5.150 1.00 39.62 N +ATOM 432 NH2 ARG A 55 6.019 1.005 4.819 1.00 22.79 N +ATOM 433 N VAL A 56 13.093 4.538 9.159 1.00 11.32 N +ATOM 434 CA VAL A 56 14.196 5.409 9.563 1.00 16.44 C +ATOM 435 C VAL A 56 14.743 6.088 8.310 1.00 12.83 C +ATOM 436 O VAL A 56 15.061 5.397 7.351 1.00 13.78 O +ATOM 437 CB VAL A 56 15.287 4.615 10.309 1.00 16.57 C +ATOM 438 CG1 VAL A 56 16.515 5.473 10.572 1.00 19.26 C +ATOM 439 CG2 VAL A 56 14.744 4.057 11.627 1.00 14.29 C +ATOM 440 N SER A 57 14.846 7.399 8.341 1.00 14.84 N +ATOM 441 CA SER A 57 15.254 8.196 7.192 1.00 17.02 C +ATOM 442 C SER A 57 16.422 9.125 7.506 1.00 30.83 C +ATOM 443 O SER A 57 16.558 9.567 8.647 1.00 17.03 O +ATOM 444 CB SER A 57 14.081 9.061 6.722 1.00 16.20 C +ATOM 445 OG SER A 57 12.917 8.291 6.503 1.00 27.86 O +ATOM 446 N GLN A 58 17.226 9.407 6.489 1.00 37.33 N +ATOM 447 CA GLN A 58 18.336 10.343 6.573 1.00 38.52 C +ATOM 448 C GLN A 58 17.900 11.701 6.027 1.00 46.43 C +ATOM 449 O GLN A 58 17.164 11.748 5.033 1.00 37.97 O +ATOM 450 CB GLN A 58 19.557 9.864 5.795 1.00 36.29 C +ATOM 451 CG GLN A 58 20.840 10.604 6.174 1.00 40.06 C +ATOM 452 CD GLN A 58 22.052 9.775 5.788 1.00 45.98 C +ATOM 453 OE1 GLN A 58 22.087 9.198 4.701 1.00 50.67 O +ATOM 454 NE2 GLN A 58 23.042 9.672 6.665 1.00 57.93 N +ATOM 455 N THR A 59 18.356 12.760 6.690 1.00 40.41 N +ATOM 456 CA THR A 59 18.064 14.108 6.235 1.00 39.75 C +ATOM 457 C THR A 59 19.019 14.516 5.105 1.00 51.33 C +ATOM 458 O THR A 59 20.119 13.966 5.012 1.00 29.41 O +ATOM 459 CB THR A 59 18.208 15.167 7.343 1.00 34.37 C +ATOM 460 OG1 THR A 59 19.558 15.128 7.841 1.00 42.21 O +ATOM 461 CG2 THR A 59 17.259 14.871 8.486 1.00 41.97 C +ATOM 462 N GLU A 60 18.582 15.493 4.329 1.00 61.42 N +ATOM 463 CA GLU A 60 19.270 16.207 3.281 1.00 73.59 C +ATOM 464 C GLU A 60 20.566 16.877 3.742 1.00 68.55 C +ATOM 465 O GLU A 60 21.338 17.332 2.896 1.00 60.76 O +ATOM 466 CB GLU A 60 18.380 17.326 2.706 1.00 88.63 C +ATOM 467 CG GLU A 60 18.911 18.711 3.060 1.00 98.52 C +ATOM 468 CD GLU A 60 17.819 19.726 3.322 1.00105.29 C +ATOM 469 OE1 GLU A 60 17.028 19.975 2.386 1.00124.14 O +ATOM 470 OE2 GLU A 60 17.747 20.269 4.445 1.00100.54 O +ATOM 471 N THR A 61 20.783 16.922 5.040 1.00 64.03 N +ATOM 472 CA THR A 61 21.906 17.461 5.764 1.00 62.96 C +ATOM 473 C THR A 61 22.619 16.397 6.594 1.00 56.23 C +ATOM 474 O THR A 61 23.497 16.774 7.371 1.00 51.88 O +ATOM 475 CB THR A 61 21.442 18.589 6.708 1.00 68.08 C +ATOM 476 OG1 THR A 61 20.011 18.528 6.811 1.00 72.94 O +ATOM 477 CG2 THR A 61 21.782 19.952 6.135 1.00 63.29 C +ATOM 478 N GLY A 62 22.248 15.133 6.436 1.00 47.79 N +ATOM 479 CA GLY A 62 22.927 13.989 6.990 1.00 27.89 C +ATOM 480 C GLY A 62 22.410 13.364 8.259 1.00 36.37 C +ATOM 481 O GLY A 62 22.907 12.310 8.702 1.00 26.77 O +ATOM 482 N SER A 63 21.426 13.917 8.968 1.00 33.37 N +ATOM 483 CA SER A 63 21.115 13.283 10.271 1.00 41.43 C +ATOM 484 C SER A 63 20.037 12.215 10.144 1.00 38.88 C +ATOM 485 O SER A 63 19.500 12.012 9.047 1.00 26.58 O +ATOM 486 CB SER A 63 20.753 14.362 11.285 1.00 41.58 C +ATOM 487 OG SER A 63 19.557 15.043 10.971 1.00 42.52 O +ATOM 488 N TRP A 64 19.706 11.495 11.219 1.00 33.76 N +ATOM 489 CA TRP A 64 18.762 10.385 11.123 1.00 30.64 C +ATOM 490 C TRP A 64 17.568 10.537 12.057 1.00 27.43 C +ATOM 491 O TRP A 64 17.719 11.063 13.156 1.00 22.05 O +ATOM 492 CB TRP A 64 19.461 9.062 11.461 1.00 26.89 C +ATOM 493 CG TRP A 64 20.550 8.688 10.507 1.00 30.02 C +ATOM 494 CD1 TRP A 64 21.859 9.089 10.563 1.00 29.70 C +ATOM 495 CD2 TRP A 64 20.440 7.845 9.355 1.00 25.63 C +ATOM 496 NE1 TRP A 64 22.564 8.544 9.517 1.00 27.70 N +ATOM 497 CE2 TRP A 64 21.716 7.777 8.761 1.00 30.04 C +ATOM 498 CE3 TRP A 64 19.390 7.136 8.761 1.00 28.10 C +ATOM 499 CZ2 TRP A 64 21.974 7.033 7.610 1.00 35.90 C +ATOM 500 CZ3 TRP A 64 19.656 6.403 7.619 1.00 35.40 C +ATOM 501 CH2 TRP A 64 20.931 6.354 7.049 1.00 35.44 C +ATOM 502 N SER A 65 16.396 10.060 11.647 1.00 18.21 N +ATOM 503 CA SER A 65 15.238 10.069 12.535 1.00 19.85 C +ATOM 504 C SER A 65 14.307 8.893 12.250 1.00 16.00 C +ATOM 505 O SER A 65 14.348 8.330 11.150 1.00 19.33 O +ATOM 506 CB SER A 65 14.425 11.353 12.365 1.00 22.30 C +ATOM 507 OG SER A 65 13.903 11.407 11.044 1.00 27.22 O +ATOM 508 N ALA A 66 13.476 8.548 13.230 1.00 15.47 N +ATOM 509 CA ALA A 66 12.535 7.446 13.062 1.00 12.37 C +ATOM 510 C ALA A 66 11.153 8.038 12.828 1.00 17.00 C +ATOM 511 O ALA A 66 10.916 9.088 13.413 1.00 16.55 O +ATOM 512 CB ALA A 66 12.498 6.560 14.292 1.00 13.07 C +ATOM 513 N GLU A 67 10.289 7.394 12.062 1.00 16.26 N +ATOM 514 CA GLU A 67 8.889 7.816 11.987 1.00 15.19 C +ATOM 515 C GLU A 67 8.309 7.979 13.393 1.00 12.73 C +ATOM 516 O GLU A 67 8.468 7.147 14.267 1.00 11.48 O +ATOM 517 CB GLU A 67 8.030 6.817 11.204 1.00 19.01 C +ATOM 518 CG GLU A 67 7.261 7.460 10.065 1.00 33.07 C +ATOM 519 CD GLU A 67 6.076 6.650 9.586 1.00 47.63 C +ATOM 520 OE1 GLU A 67 6.228 5.482 9.172 1.00 34.60 O +ATOM 521 OE2 GLU A 67 4.945 7.190 9.615 1.00 68.04 O +ATOM 522 N THR A 68 7.641 9.120 13.540 1.00 11.25 N +ATOM 523 CA THR A 68 7.169 9.586 14.834 1.00 12.24 C +ATOM 524 C THR A 68 5.693 9.917 14.813 1.00 14.21 C +ATOM 525 O THR A 68 5.113 10.492 13.889 1.00 16.23 O +ATOM 526 CB THR A 68 7.978 10.829 15.251 1.00 13.08 C +ATOM 527 OG1 THR A 68 9.380 10.520 15.256 1.00 15.04 O +ATOM 528 CG2 THR A 68 7.601 11.208 16.671 1.00 19.30 C +ATOM 529 N ALA A 69 5.018 9.571 15.902 1.00 15.18 N +ATOM 530 CA ALA A 69 3.575 9.823 15.913 1.00 20.21 C +ATOM 531 C ALA A 69 3.212 11.300 15.882 1.00 24.06 C +ATOM 532 O ALA A 69 3.929 12.209 16.302 1.00 15.53 O +ATOM 533 CB ALA A 69 2.984 9.149 17.152 1.00 21.33 C +ATOM 534 N PRO A 70 2.016 11.563 15.356 1.00 17.23 N +ATOM 535 CA PRO A 70 1.439 12.906 15.355 1.00 24.57 C +ATOM 536 C PRO A 70 1.368 13.497 16.756 1.00 15.47 C +ATOM 537 O PRO A 70 0.950 12.782 17.672 1.00 21.11 O +ATOM 538 CB PRO A 70 0.013 12.659 14.856 1.00 27.39 C +ATOM 539 CG PRO A 70 0.147 11.448 13.987 1.00 32.80 C +ATOM 540 CD PRO A 70 1.139 10.568 14.710 1.00 17.18 C +ATOM 541 N GLY A 71 1.769 14.759 16.865 1.00 27.95 N +ATOM 542 CA GLY A 71 1.799 15.473 18.126 1.00 31.56 C +ATOM 543 C GLY A 71 2.959 15.101 19.038 1.00 35.09 C +ATOM 544 O GLY A 71 2.914 15.380 20.244 1.00 50.53 O +ATOM 545 N VAL A 72 4.017 14.482 18.536 1.00 21.58 N +ATOM 546 CA VAL A 72 5.178 14.085 19.345 1.00 15.41 C +ATOM 547 C VAL A 72 6.404 14.730 18.745 1.00 18.77 C +ATOM 548 O VAL A 72 6.607 14.766 17.522 1.00 23.93 O +ATOM 549 CB VAL A 72 5.328 12.555 19.411 1.00 21.04 C +ATOM 550 CG1 VAL A 72 6.569 12.158 20.196 1.00 15.11 C +ATOM 551 CG2 VAL A 72 4.125 11.872 20.052 1.00 20.89 C +ATOM 552 N HIS A 73 7.263 15.271 19.600 1.00 24.52 N +ATOM 553 CA HIS A 73 8.476 15.915 19.076 1.00 26.41 C +ATOM 554 C HIS A 73 9.371 14.883 18.403 1.00 24.53 C +ATOM 555 O HIS A 73 9.719 13.910 19.073 1.00 23.78 O +ATOM 556 CB HIS A 73 9.195 16.630 20.218 1.00 27.27 C +ATOM 557 CG HIS A 73 10.594 17.052 19.912 1.00 42.74 C +ATOM 558 ND1 HIS A 73 10.890 18.124 19.094 1.00 45.34 N +ATOM 559 CD2 HIS A 73 11.787 16.550 20.312 1.00 48.29 C +ATOM 560 CE1 HIS A 73 12.200 18.259 19.004 1.00 43.29 C +ATOM 561 NE2 HIS A 73 12.773 17.316 19.735 1.00 49.42 N +ATOM 562 N LYS A 74 9.738 15.074 17.131 1.00 21.15 N +ATOM 563 CA LYS A 74 10.644 14.153 16.452 1.00 22.31 C +ATOM 564 C LYS A 74 12.105 14.378 16.824 1.00 25.16 C +ATOM 565 O LYS A 74 12.614 15.508 16.853 1.00 31.56 O +ATOM 566 CB LYS A 74 10.446 14.285 14.941 1.00 20.27 C +ATOM 567 CG LYS A 74 11.385 13.397 14.123 1.00 21.12 C +ATOM 568 CD LYS A 74 10.982 13.546 12.642 1.00 24.63 C +ATOM 569 CE LYS A 74 11.099 12.212 11.932 1.00 27.53 C +ATOM 570 NZ LYS A 74 10.199 12.091 10.752 1.00 32.42 N +ATOM 571 N ARG A 75 12.852 13.316 17.139 1.00 19.90 N +ATOM 572 CA ARG A 75 14.263 13.462 17.516 1.00 13.44 C +ATOM 573 C ARG A 75 15.167 13.166 16.330 1.00 24.01 C +ATOM 574 O ARG A 75 14.869 12.190 15.619 1.00 20.29 O +ATOM 575 CB ARG A 75 14.595 12.524 18.682 1.00 14.82 C +ATOM 576 CG ARG A 75 14.032 13.021 20.016 1.00 16.71 C +ATOM 577 CD ARG A 75 14.218 12.016 21.138 1.00 23.23 C +ATOM 578 NE ARG A 75 13.111 11.063 21.193 1.00 24.75 N +ATOM 579 CZ ARG A 75 13.154 9.866 21.765 1.00 25.39 C +ATOM 580 NH1 ARG A 75 14.263 9.421 22.355 1.00 13.43 N +ATOM 581 NH2 ARG A 75 12.068 9.100 21.747 1.00 24.35 N +ATOM 582 N TYR A 76 16.215 13.961 16.120 1.00 16.06 N +ATOM 583 CA TYR A 76 17.190 13.675 15.065 1.00 24.98 C +ATOM 584 C TYR A 76 18.520 13.232 15.648 1.00 25.55 C +ATOM 585 O TYR A 76 18.881 13.579 16.777 1.00 27.98 O +ATOM 586 CB TYR A 76 17.376 14.894 14.150 1.00 21.37 C +ATOM 587 CG TYR A 76 16.117 15.172 13.363 1.00 24.02 C +ATOM 588 CD1 TYR A 76 15.992 14.693 12.061 1.00 20.82 C +ATOM 589 CD2 TYR A 76 15.073 15.894 13.915 1.00 31.02 C +ATOM 590 CE1 TYR A 76 14.836 14.955 11.366 1.00 20.50 C +ATOM 591 CE2 TYR A 76 13.905 16.161 13.217 1.00 28.80 C +ATOM 592 CZ TYR A 76 13.807 15.678 11.928 1.00 33.75 C +ATOM 593 OH TYR A 76 12.673 15.909 11.178 1.00 44.70 O +ATOM 594 N PHE A 77 19.304 12.436 14.920 1.00 19.60 N +ATOM 595 CA PHE A 77 20.570 11.961 15.474 1.00 26.14 C +ATOM 596 C PHE A 77 21.648 12.091 14.399 1.00 31.88 C +ATOM 597 O PHE A 77 21.356 11.762 13.253 1.00 26.37 O +ATOM 598 CB PHE A 77 20.485 10.510 15.928 1.00 21.51 C +ATOM 599 CG PHE A 77 19.438 10.260 17.008 1.00 25.38 C +ATOM 600 CD1 PHE A 77 18.132 9.946 16.686 1.00 22.69 C +ATOM 601 CD2 PHE A 77 19.791 10.343 18.343 1.00 26.45 C +ATOM 602 CE1 PHE A 77 17.177 9.719 17.671 1.00 25.90 C +ATOM 603 CE2 PHE A 77 18.845 10.135 19.336 1.00 25.32 C +ATOM 604 CZ PHE A 77 17.538 9.829 19.002 1.00 23.72 C +ATOM 605 N ARG A 78 22.849 12.539 14.729 1.00 22.82 N +ATOM 606 CA ARG A 78 23.905 12.679 13.738 1.00 21.31 C +ATOM 607 C ARG A 78 24.321 11.350 13.131 1.00 18.97 C +ATOM 608 O ARG A 78 24.524 11.188 11.936 1.00 27.84 O +ATOM 609 CB ARG A 78 25.158 13.289 14.383 1.00 32.52 C +ATOM 610 CG ARG A 78 25.256 14.791 14.480 1.00 37.39 C +ATOM 611 CD ARG A 78 26.613 15.222 15.051 1.00 31.18 C +ATOM 612 NE ARG A 78 27.695 14.783 14.184 1.00 25.98 N +ATOM 613 CZ ARG A 78 28.679 13.936 14.416 1.00 30.16 C +ATOM 614 NH1 ARG A 78 28.818 13.325 15.581 1.00 31.49 N +ATOM 615 NH2 ARG A 78 29.577 13.670 13.459 1.00 28.47 N +ATOM 616 N LYS A 79 24.510 10.372 13.997 1.00 24.55 N +ATOM 617 CA LYS A 79 24.955 9.040 13.634 1.00 24.97 C +ATOM 618 C LYS A 79 23.805 8.050 13.809 1.00 31.13 C +ATOM 619 O LYS A 79 23.047 8.189 14.783 1.00 20.90 O +ATOM 620 CB LYS A 79 26.126 8.627 14.525 1.00 26.12 C +ATOM 621 CG LYS A 79 27.239 9.669 14.613 1.00 33.24 C +ATOM 622 CD LYS A 79 27.721 10.067 13.234 1.00 41.36 C +ATOM 623 CE LYS A 79 29.221 9.881 13.084 1.00 51.17 C +ATOM 624 NZ LYS A 79 29.592 8.436 13.032 1.00 59.98 N +ATOM 625 N ILE A 80 23.678 7.081 12.916 1.00 27.88 N +ATOM 626 CA ILE A 80 22.653 6.039 13.061 1.00 23.88 C +ATOM 627 C ILE A 80 22.877 5.241 14.331 1.00 25.00 C +ATOM 628 O ILE A 80 21.947 4.781 15.001 1.00 23.49 O +ATOM 629 CB ILE A 80 22.616 5.092 11.840 1.00 31.22 C +ATOM 630 CG1 ILE A 80 21.560 3.984 11.913 1.00 35.70 C +ATOM 631 CG2 ILE A 80 23.993 4.502 11.572 1.00 37.44 C +ATOM 632 CD1 ILE A 80 20.666 3.944 10.689 1.00 36.79 C +ATOM 633 N LYS A 81 24.145 5.072 14.702 1.00 23.58 N +ATOM 634 CA LYS A 81 24.471 4.330 15.908 1.00 17.64 C +ATOM 635 C LYS A 81 23.935 5.068 17.134 1.00 19.65 C +ATOM 636 O LYS A 81 23.605 4.482 18.159 1.00 23.10 O +ATOM 637 CB LYS A 81 25.988 4.133 16.016 1.00 21.60 C +ATOM 638 CG LYS A 81 26.749 5.450 15.992 1.00 33.41 C +ATOM 639 CD LYS A 81 28.123 5.315 16.622 1.00 49.49 C +ATOM 640 CE LYS A 81 29.114 6.319 16.064 1.00 51.48 C +ATOM 641 NZ LYS A 81 30.405 5.664 15.697 1.00 68.12 N +ATOM 642 N ASN A 82 23.844 6.392 17.030 1.00 18.73 N +ATOM 643 CA ASN A 82 23.290 7.202 18.106 1.00 19.31 C +ATOM 644 C ASN A 82 21.775 7.001 18.226 1.00 21.05 C +ATOM 645 O ASN A 82 21.228 6.929 19.339 1.00 17.72 O +ATOM 646 CB ASN A 82 23.517 8.696 17.871 1.00 19.40 C +ATOM 647 CG ASN A 82 24.915 9.245 17.888 1.00 30.88 C +ATOM 648 OD1 ASN A 82 25.854 8.616 18.377 1.00 24.71 O +ATOM 649 ND2 ASN A 82 25.065 10.467 17.346 1.00 31.58 N +ATOM 650 N LEU A 83 21.103 6.956 17.080 1.00 16.44 N +ATOM 651 CA LEU A 83 19.647 6.693 17.105 1.00 16.69 C +ATOM 652 C LEU A 83 19.438 5.308 17.704 1.00 18.21 C +ATOM 653 O LEU A 83 18.525 5.099 18.509 1.00 21.76 O +ATOM 654 CB LEU A 83 19.025 6.806 15.719 1.00 17.93 C +ATOM 655 CG LEU A 83 17.572 6.448 15.429 1.00 18.05 C +ATOM 656 CD1 LEU A 83 17.081 7.179 14.189 1.00 14.88 C +ATOM 657 CD2 LEU A 83 17.328 4.954 15.198 1.00 12.77 C +ATOM 658 N ILE A 84 20.270 4.346 17.295 1.00 15.32 N +ATOM 659 CA ILE A 84 20.109 2.995 17.811 1.00 18.99 C +ATOM 660 C ILE A 84 20.400 2.967 19.312 1.00 27.58 C +ATOM 661 O ILE A 84 19.669 2.313 20.077 1.00 18.33 O +ATOM 662 CB ILE A 84 20.966 1.961 17.064 1.00 25.00 C +ATOM 663 CG1 ILE A 84 20.577 1.774 15.591 1.00 21.79 C +ATOM 664 CG2 ILE A 84 20.926 0.620 17.789 1.00 13.39 C +ATOM 665 CD1 ILE A 84 21.617 0.941 14.851 1.00 27.35 C +ATOM 666 N SER A 85 21.433 3.689 19.759 1.00 23.02 N +ATOM 667 CA SER A 85 21.682 3.687 21.197 1.00 19.14 C +ATOM 668 C SER A 85 20.520 4.280 21.985 1.00 14.41 C +ATOM 669 O SER A 85 20.214 3.787 23.071 1.00 15.48 O +ATOM 670 CB SER A 85 22.936 4.478 21.598 1.00 23.67 C +ATOM 671 OG SER A 85 24.073 3.927 20.967 1.00 60.52 O +ATOM 672 N ALA A 86 19.917 5.330 21.448 1.00 15.86 N +ATOM 673 CA ALA A 86 18.803 5.930 22.180 1.00 19.45 C +ATOM 674 C ALA A 86 17.685 4.927 22.420 1.00 18.35 C +ATOM 675 O ALA A 86 17.126 4.832 23.509 1.00 14.72 O +ATOM 676 CB ALA A 86 18.246 7.140 21.454 1.00 12.61 C +ATOM 677 N PHE A 87 17.329 4.177 21.387 1.00 16.35 N +ATOM 678 CA PHE A 87 16.161 3.294 21.475 1.00 13.55 C +ATOM 679 C PHE A 87 16.509 1.993 22.160 1.00 10.00 C +ATOM 680 O PHE A 87 15.671 1.129 22.374 1.00 14.62 O +ATOM 681 CB PHE A 87 15.576 3.138 20.056 1.00 12.14 C +ATOM 682 CG PHE A 87 14.846 4.402 19.617 1.00 13.25 C +ATOM 683 CD1 PHE A 87 15.362 5.203 18.610 1.00 15.25 C +ATOM 684 CD2 PHE A 87 13.648 4.782 20.223 1.00 10.47 C +ATOM 685 CE1 PHE A 87 14.701 6.353 18.211 1.00 16.54 C +ATOM 686 CE2 PHE A 87 12.986 5.923 19.823 1.00 12.06 C +ATOM 687 CZ PHE A 87 13.514 6.729 18.827 1.00 13.72 C +ATOM 688 N GLN A 88 17.738 1.784 22.617 1.00 10.48 N +ATOM 689 CA GLN A 88 18.036 0.688 23.520 1.00 10.98 C +ATOM 690 C GLN A 88 17.651 1.033 24.967 1.00 10.62 C +ATOM 691 O GLN A 88 17.640 0.141 25.823 1.00 17.78 O +ATOM 692 CB GLN A 88 19.522 0.304 23.533 1.00 11.33 C +ATOM 693 CG GLN A 88 20.069 -0.192 22.209 1.00 12.51 C +ATOM 694 CD GLN A 88 21.593 -0.206 22.180 1.00 19.83 C +ATOM 695 OE1 GLN A 88 22.253 0.406 23.013 1.00 21.24 O +ATOM 696 NE2 GLN A 88 22.178 -0.903 21.218 1.00 21.20 N +ATOM 697 N LYS A 89 17.365 2.285 25.286 1.00 10.73 N +ATOM 698 CA LYS A 89 17.008 2.690 26.659 1.00 12.94 C +ATOM 699 C LYS A 89 15.516 2.488 26.931 1.00 18.91 C +ATOM 700 O LYS A 89 14.708 2.508 25.989 1.00 14.93 O +ATOM 701 CB LYS A 89 17.273 4.160 26.916 1.00 12.82 C +ATOM 702 CG LYS A 89 18.713 4.626 26.697 1.00 20.89 C +ATOM 703 CD LYS A 89 18.815 6.079 27.130 1.00 28.53 C +ATOM 704 CE LYS A 89 18.627 7.027 25.956 1.00 53.52 C +ATOM 705 NZ LYS A 89 19.916 7.668 25.560 1.00 83.67 N +ATOM 706 N PRO A 90 15.122 2.296 28.181 1.00 14.21 N +ATOM 707 CA PRO A 90 13.696 2.126 28.470 1.00 16.17 C +ATOM 708 C PRO A 90 12.865 3.394 28.261 1.00 15.43 C +ATOM 709 O PRO A 90 13.298 4.541 28.429 1.00 11.37 O +ATOM 710 CB PRO A 90 13.698 1.707 29.959 1.00 14.38 C +ATOM 711 CG PRO A 90 15.100 1.285 30.240 1.00 16.46 C +ATOM 712 CD PRO A 90 15.967 2.183 29.389 1.00 12.52 C +ATOM 713 N ASP A 91 11.607 3.191 27.886 1.00 12.43 N +ATOM 714 CA ASP A 91 10.582 4.231 27.763 1.00 13.58 C +ATOM 715 C ASP A 91 10.926 5.338 26.776 1.00 22.24 C +ATOM 716 O ASP A 91 10.918 6.524 27.108 1.00 10.45 O +ATOM 717 CB ASP A 91 10.321 4.875 29.133 1.00 13.27 C +ATOM 718 CG ASP A 91 9.045 5.700 29.089 1.00 17.49 C +ATOM 719 OD1 ASP A 91 8.908 6.534 30.009 1.00 15.82 O +ATOM 720 OD2 ASP A 91 8.196 5.521 28.182 1.00 12.40 O +ATOM 721 N GLN A 92 11.228 4.986 25.529 1.00 14.00 N +ATOM 722 CA GLN A 92 11.560 5.990 24.528 1.00 15.50 C +ATOM 723 C GLN A 92 10.470 6.061 23.455 1.00 16.10 C +ATOM 724 O GLN A 92 10.695 6.746 22.455 1.00 16.27 O +ATOM 725 CB GLN A 92 12.925 5.649 23.908 1.00 18.10 C +ATOM 726 CG GLN A 92 14.045 5.526 24.938 1.00 11.10 C +ATOM 727 CD GLN A 92 14.284 6.878 25.601 1.00 20.58 C +ATOM 728 OE1 GLN A 92 14.406 7.925 24.959 1.00 14.69 O +ATOM 729 NE2 GLN A 92 14.335 6.835 26.925 1.00 15.52 N +ATOM 730 N GLY A 93 9.341 5.375 23.639 1.00 11.13 N +ATOM 731 CA GLY A 93 8.206 5.431 22.733 1.00 13.75 C +ATOM 732 C GLY A 93 8.171 4.351 21.670 1.00 23.50 C +ATOM 733 O GLY A 93 7.454 4.486 20.664 1.00 19.23 O +ATOM 734 N ILE A 94 8.921 3.250 21.852 1.00 11.42 N +ATOM 735 CA ILE A 94 8.762 2.102 20.944 1.00 10.51 C +ATOM 736 C ILE A 94 8.269 0.905 21.763 1.00 16.37 C +ATOM 737 O ILE A 94 8.270 0.970 22.992 1.00 11.97 O +ATOM 738 CB ILE A 94 10.047 1.787 20.161 1.00 15.59 C +ATOM 739 CG1 ILE A 94 11.266 1.356 20.993 1.00 11.11 C +ATOM 740 CG2 ILE A 94 10.420 2.974 19.285 1.00 12.30 C +ATOM 741 CD1 ILE A 94 12.358 0.741 20.140 1.00 10.21 C +ATOM 742 N VAL A 95 7.834 -0.189 21.156 1.00 11.11 N +ATOM 743 CA VAL A 95 6.967 -1.173 21.828 1.00 11.19 C +ATOM 744 C VAL A 95 7.718 -1.832 22.977 1.00 20.20 C +ATOM 745 O VAL A 95 7.147 -2.068 24.042 1.00 15.94 O +ATOM 746 CB VAL A 95 6.411 -2.163 20.791 1.00 15.14 C +ATOM 747 CG1 VAL A 95 7.559 -2.916 20.119 1.00 18.48 C +ATOM 748 CG2 VAL A 95 5.408 -3.141 21.372 1.00 15.34 C +ATOM 749 N ILE A 96 8.990 -2.110 22.789 1.00 12.28 N +ATOM 750 CA ILE A 96 9.894 -2.666 23.773 1.00 10.93 C +ATOM 751 C ILE A 96 11.271 -2.122 23.402 1.00 13.59 C +ATOM 752 O ILE A 96 11.472 -1.813 22.223 1.00 14.77 O +ATOM 753 CB ILE A 96 9.869 -4.197 23.736 1.00 14.27 C +ATOM 754 CG1 ILE A 96 10.813 -4.937 24.701 1.00 22.34 C +ATOM 755 CG2 ILE A 96 10.185 -4.730 22.350 1.00 22.21 C +ATOM 756 CD1 ILE A 96 10.737 -6.436 24.419 1.00 20.20 C +ATOM 757 N PRO A 97 12.212 -1.937 24.312 1.00 13.50 N +ATOM 758 CA PRO A 97 13.540 -1.455 23.914 1.00 11.33 C +ATOM 759 C PRO A 97 14.313 -2.426 23.026 1.00 11.81 C +ATOM 760 O PRO A 97 14.141 -3.631 23.079 1.00 13.25 O +ATOM 761 CB PRO A 97 14.260 -1.280 25.252 1.00 11.40 C +ATOM 762 CG PRO A 97 13.120 -1.066 26.222 1.00 12.09 C +ATOM 763 CD PRO A 97 12.095 -2.094 25.778 1.00 14.37 C +ATOM 764 N LEU A 98 15.202 -1.866 22.212 1.00 13.30 N +ATOM 765 CA LEU A 98 16.136 -2.668 21.421 1.00 12.60 C +ATOM 766 C LEU A 98 17.130 -3.372 22.335 1.00 16.60 C +ATOM 767 O LEU A 98 17.889 -2.709 23.033 1.00 20.54 O +ATOM 768 CB LEU A 98 16.887 -1.742 20.469 1.00 15.89 C +ATOM 769 CG LEU A 98 16.027 -0.883 19.550 1.00 16.08 C +ATOM 770 CD1 LEU A 98 16.921 -0.061 18.638 1.00 22.47 C +ATOM 771 CD2 LEU A 98 15.078 -1.783 18.758 1.00 12.14 C +ATOM 772 N GLN A 99 17.154 -4.692 22.357 1.00 19.65 N +ATOM 773 CA GLN A 99 17.897 -5.375 23.414 1.00 25.74 C +ATOM 774 C GLN A 99 18.954 -6.360 22.954 1.00 24.26 C +ATOM 775 O GLN A 99 20.036 -6.413 23.559 1.00 23.17 O +ATOM 776 CB GLN A 99 16.878 -6.136 24.302 1.00 14.58 C +ATOM 777 CG GLN A 99 16.111 -5.097 25.120 1.00 23.45 C +ATOM 778 CD GLN A 99 15.080 -5.761 26.008 1.00 35.80 C +ATOM 779 OE1 GLN A 99 13.928 -5.815 25.585 1.00 36.98 O +ATOM 780 NE2 GLN A 99 15.534 -6.233 27.160 1.00 34.10 N +ATOM 781 N TYR A 100 18.620 -7.133 21.933 1.00 15.10 N +ATOM 782 CA TYR A 100 19.537 -8.149 21.422 1.00 20.11 C +ATOM 783 C TYR A 100 19.807 -7.923 19.935 1.00 23.98 C +ATOM 784 O TYR A 100 18.928 -8.282 19.152 1.00 17.43 O +ATOM 785 CB TYR A 100 18.946 -9.545 21.649 1.00 15.88 C +ATOM 786 CG TYR A 100 18.517 -9.694 23.097 1.00 20.54 C +ATOM 787 CD1 TYR A 100 17.193 -9.579 23.474 1.00 28.84 C +ATOM 788 CD2 TYR A 100 19.467 -9.939 24.092 1.00 25.41 C +ATOM 789 CE1 TYR A 100 16.781 -9.707 24.792 1.00 32.34 C +ATOM 790 CE2 TYR A 100 19.073 -10.065 25.413 1.00 27.99 C +ATOM 791 CZ TYR A 100 17.737 -9.951 25.760 1.00 37.04 C +ATOM 792 OH TYR A 100 17.324 -10.074 27.076 1.00 27.74 O +ATOM 793 N PRO A 101 20.960 -7.359 19.583 1.00 20.66 N +ATOM 794 CA PRO A 101 21.249 -7.066 18.178 1.00 16.24 C +ATOM 795 C PRO A 101 21.385 -8.383 17.416 1.00 19.16 C +ATOM 796 O PRO A 101 22.038 -9.303 17.911 1.00 21.37 O +ATOM 797 CB PRO A 101 22.578 -6.325 18.203 1.00 19.80 C +ATOM 798 CG PRO A 101 23.008 -6.207 19.614 1.00 19.74 C +ATOM 799 CD PRO A 101 22.074 -6.987 20.479 1.00 14.74 C +ATOM 800 N VAL A 102 20.758 -8.463 16.248 1.00 13.99 N +ATOM 801 CA VAL A 102 20.905 -9.617 15.350 1.00 14.83 C +ATOM 802 C VAL A 102 21.853 -9.119 14.271 1.00 22.78 C +ATOM 803 O VAL A 102 21.436 -8.306 13.451 1.00 15.38 O +ATOM 804 CB VAL A 102 19.561 -10.095 14.798 1.00 23.29 C +ATOM 805 CG1 VAL A 102 19.715 -11.138 13.699 1.00 13.21 C +ATOM 806 CG2 VAL A 102 18.717 -10.654 15.958 1.00 20.22 C +ATOM 807 N GLU A 103 23.114 -9.544 14.353 1.00 15.23 N +ATOM 808 CA GLU A 103 24.149 -8.898 13.568 1.00 14.07 C +ATOM 809 C GLU A 103 24.502 -9.696 12.317 1.00 15.51 C +ATOM 810 O GLU A 103 24.238 -10.899 12.295 1.00 24.26 O +ATOM 811 CB GLU A 103 25.424 -8.714 14.417 1.00 22.69 C +ATOM 812 CG GLU A 103 25.130 -7.869 15.654 1.00 25.65 C +ATOM 813 CD GLU A 103 26.352 -7.688 16.530 1.00 33.33 C +ATOM 814 OE1 GLU A 103 26.542 -6.563 17.053 1.00 23.18 O +ATOM 815 OE2 GLU A 103 27.094 -8.686 16.672 1.00 27.64 O +ATOM 816 N LYS A 104 25.065 -8.993 11.350 1.00 18.58 N +ATOM 817 CA LYS A 104 25.577 -9.641 10.134 1.00 22.88 C +ATOM 818 C LYS A 104 26.565 -10.735 10.550 1.00 26.21 C +ATOM 819 O LYS A 104 27.399 -10.399 11.419 1.00 21.27 O +ATOM 820 CB LYS A 104 26.299 -8.684 9.205 1.00 24.08 C +ATOM 821 CG LYS A 104 25.484 -7.534 8.645 1.00 30.73 C +ATOM 822 CD LYS A 104 26.307 -6.677 7.690 1.00 26.98 C +ATOM 823 CE LYS A 104 26.847 -5.441 8.397 1.00 34.38 C +ATOM 824 NZ LYS A 104 26.319 -4.172 7.822 1.00 28.97 N +ATOM 825 OXT LYS A 104 26.441 -11.842 10.008 1.00 32.40 O +TER 826 LYS A 104 +ATOM 827 N ALA B 3 50.154 29.211 56.232 1.00 37.13 N +ATOM 828 CA ALA B 3 50.815 28.156 55.464 1.00 46.91 C +ATOM 829 C ALA B 3 50.791 28.410 53.963 1.00 38.87 C +ATOM 830 O ALA B 3 49.816 29.007 53.489 1.00 38.91 O +ATOM 831 CB ALA B 3 50.143 26.818 55.762 1.00 55.43 C +ATOM 832 N VAL B 4 51.809 27.974 53.233 1.00 24.05 N +ATOM 833 CA VAL B 4 51.804 27.958 51.770 1.00 22.48 C +ATOM 834 C VAL B 4 51.200 26.646 51.290 1.00 22.18 C +ATOM 835 O VAL B 4 51.783 25.573 51.418 1.00 14.95 O +ATOM 836 CB VAL B 4 53.216 28.130 51.182 1.00 35.86 C +ATOM 837 CG1 VAL B 4 53.223 27.928 49.673 1.00 21.21 C +ATOM 838 CG2 VAL B 4 53.765 29.510 51.535 1.00 34.57 C +ATOM 839 N ALA B 5 49.984 26.678 50.756 1.00 16.31 N +ATOM 840 CA ALA B 5 49.241 25.460 50.492 1.00 14.72 C +ATOM 841 C ALA B 5 49.959 24.471 49.587 1.00 16.36 C +ATOM 842 O ALA B 5 49.841 23.277 49.875 1.00 15.55 O +ATOM 843 CB ALA B 5 47.886 25.808 49.853 1.00 16.37 C +ATOM 844 N VAL B 6 50.635 24.903 48.522 1.00 15.04 N +ATOM 845 CA VAL B 6 51.302 23.932 47.653 1.00 13.19 C +ATOM 846 C VAL B 6 52.716 23.592 48.108 1.00 16.52 C +ATOM 847 O VAL B 6 53.450 22.934 47.359 1.00 17.88 O +ATOM 848 CB VAL B 6 51.422 24.410 46.190 1.00 20.98 C +ATOM 849 CG1 VAL B 6 50.025 24.693 45.662 1.00 17.97 C +ATOM 850 CG2 VAL B 6 52.341 25.629 46.031 1.00 16.75 C +ATOM 851 N TYR B 7 53.119 24.019 49.300 1.00 12.50 N +ATOM 852 CA TYR B 7 54.426 23.590 49.790 1.00 8.66 C +ATOM 853 C TYR B 7 54.363 22.177 50.349 1.00 15.36 C +ATOM 854 O TYR B 7 53.617 21.903 51.285 1.00 16.89 O +ATOM 855 CB TYR B 7 54.952 24.566 50.852 1.00 11.38 C +ATOM 856 CG TYR B 7 56.318 24.219 51.389 1.00 13.71 C +ATOM 857 CD1 TYR B 7 57.365 23.775 50.593 1.00 18.34 C +ATOM 858 CD2 TYR B 7 56.555 24.357 52.760 1.00 16.71 C +ATOM 859 CE1 TYR B 7 58.624 23.465 51.109 1.00 16.48 C +ATOM 860 CE2 TYR B 7 57.805 24.045 53.276 1.00 18.25 C +ATOM 861 CZ TYR B 7 58.824 23.607 52.473 1.00 18.76 C +ATOM 862 OH TYR B 7 60.039 23.309 53.042 1.00 19.46 O +ATOM 863 N HIS B 8 55.165 21.276 49.776 1.00 14.11 N +ATOM 864 CA HIS B 8 55.183 19.884 50.181 1.00 18.67 C +ATOM 865 C HIS B 8 56.353 19.527 51.093 1.00 25.08 C +ATOM 866 O HIS B 8 56.565 18.375 51.487 1.00 40.63 O +ATOM 867 CB HIS B 8 55.257 18.983 48.941 1.00 18.35 C +ATOM 868 CG HIS B 8 53.941 18.800 48.264 1.00 21.60 C +ATOM 869 ND1 HIS B 8 53.243 19.867 47.734 1.00 21.56 N +ATOM 870 CD2 HIS B 8 53.198 17.700 48.025 1.00 18.91 C +ATOM 871 CE1 HIS B 8 52.128 19.414 47.198 1.00 17.47 C +ATOM 872 NE2 HIS B 8 52.060 18.108 47.355 1.00 26.32 N +ATOM 873 N GLY B 9 57.190 20.491 51.453 1.00 20.60 N +ATOM 874 CA GLY B 9 58.361 20.117 52.238 1.00 18.09 C +ATOM 875 C GLY B 9 59.413 19.424 51.408 1.00 22.11 C +ATOM 876 O GLY B 9 59.601 19.682 50.212 1.00 24.01 O +ATOM 877 N LYS B 10 60.100 18.508 52.077 1.00 25.36 N +ATOM 878 CA LYS B 10 61.283 17.844 51.567 1.00 30.61 C +ATOM 879 C LYS B 10 60.968 16.639 50.710 1.00 29.39 C +ATOM 880 O LYS B 10 61.605 15.595 50.861 1.00 33.24 O +ATOM 881 CB LYS B 10 62.174 17.417 52.760 1.00 30.29 C +ATOM 882 CG LYS B 10 62.600 18.691 53.483 1.00 25.98 C +ATOM 883 CD LYS B 10 63.425 18.382 54.708 1.00 23.05 C +ATOM 884 CE LYS B 10 63.707 19.661 55.469 1.00 23.95 C +ATOM 885 NZ LYS B 10 64.258 20.741 54.606 1.00 21.94 N +ATOM 886 N ILE B 11 59.997 16.791 49.811 1.00 20.07 N +ATOM 887 CA ILE B 11 59.772 15.665 48.895 1.00 17.29 C +ATOM 888 C ILE B 11 60.919 15.620 47.893 1.00 14.80 C +ATOM 889 O ILE B 11 61.589 16.634 47.692 1.00 22.99 O +ATOM 890 CB ILE B 11 58.423 15.777 48.171 1.00 20.18 C +ATOM 891 CG1 ILE B 11 58.220 17.060 47.374 1.00 16.12 C +ATOM 892 CG2 ILE B 11 57.272 15.609 49.163 1.00 21.77 C +ATOM 893 CD1 ILE B 11 57.095 16.905 46.347 1.00 10.42 C +ATOM 894 N SER B 12 61.143 14.474 47.268 1.00 18.02 N +ATOM 895 CA SER B 12 62.160 14.418 46.220 1.00 21.15 C +ATOM 896 C SER B 12 61.639 15.088 44.949 1.00 17.91 C +ATOM 897 O SER B 12 60.434 15.347 44.816 1.00 19.05 O +ATOM 898 CB SER B 12 62.547 12.983 45.881 1.00 13.45 C +ATOM 899 OG SER B 12 61.464 12.249 45.332 1.00 25.00 O +ATOM 900 N ARG B 13 62.579 15.290 44.050 1.00 23.89 N +ATOM 901 CA ARG B 13 62.309 15.725 42.691 1.00 19.94 C +ATOM 902 C ARG B 13 61.362 14.771 41.984 1.00 27.85 C +ATOM 903 O ARG B 13 60.350 15.143 41.382 1.00 22.11 O +ATOM 904 CB ARG B 13 63.633 15.845 41.926 1.00 16.19 C +ATOM 905 CG ARG B 13 63.398 16.129 40.443 1.00 14.26 C +ATOM 906 CD ARG B 13 64.619 15.845 39.592 1.00 18.76 C +ATOM 907 NE ARG B 13 65.746 16.724 39.901 1.00 19.98 N +ATOM 908 CZ ARG B 13 66.755 16.922 39.058 1.00 19.79 C +ATOM 909 NH1 ARG B 13 66.793 16.324 37.869 1.00 21.34 N +ATOM 910 NH2 ARG B 13 67.740 17.728 39.409 1.00 14.88 N +ATOM 911 N GLU B 14 61.708 13.488 42.057 1.00 20.27 N +ATOM 912 CA GLU B 14 60.868 12.463 41.454 1.00 19.42 C +ATOM 913 C GLU B 14 59.446 12.444 42.004 1.00 13.31 C +ATOM 914 O GLU B 14 58.452 12.303 41.283 1.00 21.76 O +ATOM 915 CB GLU B 14 61.496 11.078 41.694 1.00 26.57 C +ATOM 916 CG GLU B 14 62.755 10.808 40.890 1.00 21.58 C +ATOM 917 CD GLU B 14 63.965 11.609 41.323 1.00 27.33 C +ATOM 918 OE1 GLU B 14 64.001 12.135 42.442 1.00 26.58 O +ATOM 919 OE2 GLU B 14 64.929 11.751 40.528 1.00 41.33 O +ATOM 920 N THR B 15 59.281 12.520 43.319 1.00 15.60 N +ATOM 921 CA THR B 15 57.898 12.499 43.781 1.00 20.14 C +ATOM 922 C THR B 15 57.185 13.790 43.361 1.00 18.14 C +ATOM 923 O THR B 15 55.987 13.694 43.107 1.00 20.30 O +ATOM 924 CB THR B 15 57.730 12.332 45.295 1.00 22.21 C +ATOM 925 OG1 THR B 15 58.067 13.562 45.941 1.00 61.14 O +ATOM 926 CG2 THR B 15 58.678 11.260 45.793 1.00 11.30 C +ATOM 927 N GLY B 16 57.885 14.908 43.279 1.00 20.08 N +ATOM 928 CA GLY B 16 57.287 16.141 42.765 1.00 14.71 C +ATOM 929 C GLY B 16 56.787 15.952 41.343 1.00 16.31 C +ATOM 930 O GLY B 16 55.696 16.390 40.966 1.00 16.89 O +ATOM 931 N GLU B 17 57.609 15.274 40.544 1.00 20.26 N +ATOM 932 CA GLU B 17 57.280 15.026 39.140 1.00 19.66 C +ATOM 933 C GLU B 17 56.037 14.154 39.051 1.00 19.28 C +ATOM 934 O GLU B 17 55.116 14.406 38.288 1.00 17.50 O +ATOM 935 CB GLU B 17 58.425 14.323 38.403 1.00 18.77 C +ATOM 936 CG GLU B 17 59.650 15.209 38.163 1.00 17.29 C +ATOM 937 CD GLU B 17 60.834 14.439 37.613 1.00 19.86 C +ATOM 938 OE1 GLU B 17 60.742 13.214 37.431 1.00 32.44 O +ATOM 939 OE2 GLU B 17 61.878 15.067 37.344 1.00 20.88 O +ATOM 940 N LYS B 18 56.059 13.100 39.883 1.00 19.48 N +ATOM 941 CA LYS B 18 54.948 12.160 39.798 1.00 18.01 C +ATOM 942 C LYS B 18 53.634 12.820 40.197 1.00 16.82 C +ATOM 943 O LYS B 18 52.609 12.491 39.606 1.00 16.62 O +ATOM 944 CB LYS B 18 55.227 10.920 40.654 1.00 30.75 C +ATOM 945 CG LYS B 18 56.031 9.872 39.880 1.00 40.56 C +ATOM 946 CD LYS B 18 56.431 8.711 40.771 1.00 49.11 C +ATOM 947 CE LYS B 18 57.938 8.565 40.908 1.00 55.62 C +ATOM 948 NZ LYS B 18 58.320 8.002 42.237 1.00 74.11 N +ATOM 949 N LEU B 19 53.657 13.715 41.165 1.00 17.03 N +ATOM 950 CA LEU B 19 52.445 14.371 41.656 1.00 13.23 C +ATOM 951 C LEU B 19 51.826 15.252 40.592 1.00 16.99 C +ATOM 952 O LEU B 19 50.593 15.317 40.449 1.00 13.30 O +ATOM 953 CB LEU B 19 52.817 15.167 42.918 1.00 22.08 C +ATOM 954 CG LEU B 19 52.983 14.308 44.182 1.00 22.53 C +ATOM 955 CD1 LEU B 19 53.364 15.144 45.383 1.00 16.12 C +ATOM 956 CD2 LEU B 19 51.680 13.547 44.411 1.00 25.21 C +ATOM 957 N LEU B 20 52.703 15.931 39.833 1.00 12.50 N +ATOM 958 CA LEU B 20 52.199 16.843 38.799 1.00 11.37 C +ATOM 959 C LEU B 20 51.775 16.054 37.577 1.00 15.48 C +ATOM 960 O LEU B 20 50.676 16.209 37.033 1.00 10.97 O +ATOM 961 CB LEU B 20 53.252 17.907 38.440 1.00 14.21 C +ATOM 962 CG LEU B 20 53.682 18.756 39.644 1.00 16.37 C +ATOM 963 CD1 LEU B 20 54.660 19.837 39.206 1.00 24.16 C +ATOM 964 CD2 LEU B 20 52.468 19.372 40.311 1.00 17.62 C +ATOM 965 N LEU B 21 52.654 15.148 37.150 1.00 13.41 N +ATOM 966 CA LEU B 21 52.323 14.336 35.974 1.00 13.58 C +ATOM 967 C LEU B 21 51.007 13.590 36.126 1.00 20.20 C +ATOM 968 O LEU B 21 50.354 13.340 35.111 1.00 20.79 O +ATOM 969 CB LEU B 21 53.445 13.320 35.708 1.00 17.63 C +ATOM 970 CG LEU B 21 54.712 13.987 35.142 1.00 25.97 C +ATOM 971 CD1 LEU B 21 55.933 13.105 35.357 1.00 24.41 C +ATOM 972 CD2 LEU B 21 54.495 14.316 33.672 1.00 29.33 C +ATOM 973 N ALA B 22 50.633 13.251 37.360 1.00 17.92 N +ATOM 974 CA ALA B 22 49.418 12.429 37.505 1.00 16.66 C +ATOM 975 C ALA B 22 48.188 13.205 37.083 1.00 18.99 C +ATOM 976 O ALA B 22 47.172 12.629 36.665 1.00 22.71 O +ATOM 977 CB ALA B 22 49.307 11.897 38.924 1.00 19.18 C +ATOM 978 N THR B 23 48.245 14.538 37.135 1.00 18.07 N +ATOM 979 CA THR B 23 47.061 15.301 36.747 1.00 16.43 C +ATOM 980 C THR B 23 46.915 15.350 35.231 1.00 23.35 C +ATOM 981 O THR B 23 45.778 15.532 34.786 1.00 17.15 O +ATOM 982 CB THR B 23 47.056 16.762 37.248 1.00 20.06 C +ATOM 983 OG1 THR B 23 48.064 17.462 36.490 1.00 17.60 O +ATOM 984 CG2 THR B 23 47.429 16.857 38.717 1.00 19.12 C +ATOM 985 N GLY B 24 48.028 15.214 34.510 1.00 16.36 N +ATOM 986 CA GLY B 24 48.009 15.350 33.063 1.00 15.80 C +ATOM 987 C GLY B 24 47.710 16.758 32.612 1.00 22.57 C +ATOM 988 O GLY B 24 47.389 17.015 31.445 1.00 21.07 O +ATOM 989 N LEU B 25 47.778 17.759 33.491 1.00 21.04 N +ATOM 990 CA LEU B 25 47.265 19.072 33.100 1.00 15.80 C +ATOM 991 C LEU B 25 48.326 20.157 33.113 1.00 18.63 C +ATOM 992 O LEU B 25 48.892 20.378 34.201 1.00 15.12 O +ATOM 993 CB LEU B 25 46.172 19.484 34.092 1.00 21.98 C +ATOM 994 CG LEU B 25 44.802 19.912 33.616 1.00 31.48 C +ATOM 995 CD1 LEU B 25 43.969 20.408 34.799 1.00 20.03 C +ATOM 996 CD2 LEU B 25 44.892 20.989 32.542 1.00 35.81 C +ATOM 997 N ASP B 26 48.555 20.799 31.968 1.00 14.20 N +ATOM 998 CA ASP B 26 49.561 21.866 31.915 1.00 14.84 C +ATOM 999 C ASP B 26 49.113 22.970 32.878 1.00 14.95 C +ATOM 1000 O ASP B 26 47.928 23.343 32.859 1.00 13.12 O +ATOM 1001 CB ASP B 26 49.764 22.466 30.528 1.00 15.51 C +ATOM 1002 CG ASP B 26 50.467 21.567 29.522 1.00 16.36 C +ATOM 1003 OD1 ASP B 26 50.396 21.908 28.317 1.00 26.98 O +ATOM 1004 OD2 ASP B 26 51.016 20.554 29.991 1.00 21.41 O +ATOM 1005 N GLY B 27 50.010 23.488 33.707 1.00 15.94 N +ATOM 1006 CA GLY B 27 49.618 24.543 34.633 1.00 18.70 C +ATOM 1007 C GLY B 27 49.490 24.068 36.065 1.00 16.08 C +ATOM 1008 O GLY B 27 49.324 24.879 36.977 1.00 11.85 O +ATOM 1009 N SER B 28 49.559 22.757 36.266 1.00 7.74 N +ATOM 1010 CA SER B 28 49.636 22.123 37.575 1.00 13.29 C +ATOM 1011 C SER B 28 50.924 22.485 38.292 1.00 13.32 C +ATOM 1012 O SER B 28 51.980 22.516 37.642 1.00 10.42 O +ATOM 1013 CB SER B 28 49.634 20.593 37.446 1.00 15.44 C +ATOM 1014 OG SER B 28 48.344 20.140 37.128 1.00 28.50 O +ATOM 1015 N TYR B 29 50.851 22.739 39.593 1.00 8.89 N +ATOM 1016 CA TYR B 29 52.100 23.194 40.216 1.00 12.81 C +ATOM 1017 C TYR B 29 52.172 22.851 41.698 1.00 15.83 C +ATOM 1018 O TYR B 29 51.174 22.629 42.379 1.00 12.28 O +ATOM 1019 CB TYR B 29 52.262 24.698 39.977 1.00 7.91 C +ATOM 1020 CG TYR B 29 51.313 25.599 40.749 1.00 10.11 C +ATOM 1021 CD1 TYR B 29 51.669 26.245 41.913 1.00 6.42 C +ATOM 1022 CD2 TYR B 29 50.009 25.788 40.259 1.00 15.58 C +ATOM 1023 CE1 TYR B 29 50.794 27.067 42.607 1.00 8.54 C +ATOM 1024 CE2 TYR B 29 49.121 26.600 40.941 1.00 13.08 C +ATOM 1025 CZ TYR B 29 49.514 27.231 42.103 1.00 13.47 C +ATOM 1026 OH TYR B 29 48.593 28.036 42.757 1.00 14.14 O +ATOM 1027 N LEU B 30 53.419 22.804 42.186 1.00 9.42 N +ATOM 1028 CA LEU B 30 53.693 22.648 43.604 1.00 13.75 C +ATOM 1029 C LEU B 30 55.023 23.334 43.940 1.00 19.85 C +ATOM 1030 O LEU B 30 55.788 23.771 43.055 1.00 17.98 O +ATOM 1031 CB LEU B 30 53.701 21.181 44.008 1.00 13.18 C +ATOM 1032 CG LEU B 30 54.641 20.156 43.379 1.00 16.88 C +ATOM 1033 CD1 LEU B 30 56.090 20.231 43.839 1.00 15.52 C +ATOM 1034 CD2 LEU B 30 54.146 18.739 43.676 1.00 15.98 C +ATOM 1035 N LEU B 31 55.317 23.379 45.235 1.00 13.03 N +ATOM 1036 CA LEU B 31 56.576 23.909 45.745 1.00 8.10 C +ATOM 1037 C LEU B 31 57.248 22.847 46.616 1.00 16.32 C +ATOM 1038 O LEU B 31 56.615 22.241 47.482 1.00 17.18 O +ATOM 1039 CB LEU B 31 56.359 25.175 46.573 1.00 11.53 C +ATOM 1040 CG LEU B 31 57.608 25.949 47.022 1.00 19.76 C +ATOM 1041 CD1 LEU B 31 58.169 26.773 45.867 1.00 15.99 C +ATOM 1042 CD2 LEU B 31 57.277 26.826 48.224 1.00 14.58 C +ATOM 1043 N ARG B 32 58.535 22.616 46.405 1.00 12.77 N +ATOM 1044 CA ARG B 32 59.295 21.713 47.273 1.00 16.52 C +ATOM 1045 C ARG B 32 60.624 22.344 47.657 1.00 19.64 C +ATOM 1046 O ARG B 32 61.016 23.320 47.016 1.00 15.45 O +ATOM 1047 CB ARG B 32 59.551 20.372 46.563 1.00 17.30 C +ATOM 1048 CG ARG B 32 60.409 20.511 45.312 1.00 14.51 C +ATOM 1049 CD ARG B 32 60.810 19.161 44.727 1.00 14.16 C +ATOM 1050 NE ARG B 32 61.432 19.367 43.413 1.00 14.07 N +ATOM 1051 CZ ARG B 32 62.686 19.683 43.191 1.00 15.31 C +ATOM 1052 NH1 ARG B 32 63.528 19.847 44.217 1.00 15.61 N +ATOM 1053 NH2 ARG B 32 63.114 19.848 41.934 1.00 13.85 N +ATOM 1054 N ASP B 33 61.314 21.807 48.662 1.00 18.07 N +ATOM 1055 CA ASP B 33 62.698 22.179 48.879 1.00 19.72 C +ATOM 1056 C ASP B 33 63.586 21.843 47.690 1.00 17.88 C +ATOM 1057 O ASP B 33 63.391 20.848 46.993 1.00 22.97 O +ATOM 1058 CB ASP B 33 63.273 21.399 50.077 1.00 19.67 C +ATOM 1059 CG ASP B 33 62.657 21.928 51.357 1.00 19.97 C +ATOM 1060 OD1 ASP B 33 63.435 22.061 52.315 1.00 29.15 O +ATOM 1061 OD2 ASP B 33 61.457 22.229 51.380 1.00 20.75 O +ATOM 1062 N SER B 34 64.598 22.671 47.463 1.00 18.75 N +ATOM 1063 CA SER B 34 65.664 22.301 46.548 1.00 22.24 C +ATOM 1064 C SER B 34 66.390 21.060 47.034 1.00 24.22 C +ATOM 1065 O SER B 34 66.581 20.876 48.239 1.00 18.27 O +ATOM 1066 CB SER B 34 66.704 23.432 46.443 1.00 20.99 C +ATOM 1067 OG SER B 34 67.732 23.033 45.541 1.00 25.20 O +ATOM 1068 N GLU B 35 66.844 20.203 46.135 1.00 23.10 N +ATOM 1069 CA GLU B 35 67.739 19.137 46.587 1.00 31.11 C +ATOM 1070 C GLU B 35 69.201 19.557 46.523 1.00 38.55 C +ATOM 1071 O GLU B 35 70.059 18.992 47.204 1.00 43.01 O +ATOM 1072 CB GLU B 35 67.525 17.900 45.716 1.00 22.12 C +ATOM 1073 CG GLU B 35 66.184 17.216 46.006 1.00 24.65 C +ATOM 1074 CD GLU B 35 66.106 15.925 45.207 1.00 28.05 C +ATOM 1075 OE1 GLU B 35 66.879 15.824 44.220 1.00 33.68 O +ATOM 1076 OE2 GLU B 35 65.292 15.068 45.585 1.00 28.96 O +ATOM 1077 N SER B 36 69.500 20.551 45.694 1.00 31.21 N +ATOM 1078 CA SER B 36 70.880 20.894 45.347 1.00 23.92 C +ATOM 1079 C SER B 36 71.423 22.093 46.109 1.00 28.22 C +ATOM 1080 O SER B 36 72.645 22.199 46.294 1.00 29.96 O +ATOM 1081 CB SER B 36 70.968 21.128 43.829 1.00 24.85 C +ATOM 1082 OG SER B 36 70.300 22.326 43.436 1.00 27.63 O +ATOM 1083 N VAL B 37 70.566 22.999 46.555 1.00 24.52 N +ATOM 1084 CA VAL B 37 70.930 24.264 47.179 1.00 23.42 C +ATOM 1085 C VAL B 37 70.170 24.409 48.502 1.00 29.34 C +ATOM 1086 O VAL B 37 68.943 24.406 48.606 1.00 25.23 O +ATOM 1087 CB VAL B 37 70.659 25.505 46.308 1.00 24.90 C +ATOM 1088 CG1 VAL B 37 71.387 26.728 46.872 1.00 22.81 C +ATOM 1089 CG2 VAL B 37 71.030 25.297 44.843 1.00 27.92 C +ATOM 1090 N PRO B 38 70.937 24.526 49.586 1.00 38.58 N +ATOM 1091 CA PRO B 38 70.331 24.631 50.919 1.00 32.74 C +ATOM 1092 C PRO B 38 69.643 25.978 51.102 1.00 20.86 C +ATOM 1093 O PRO B 38 70.128 27.021 50.678 1.00 30.51 O +ATOM 1094 CB PRO B 38 71.516 24.499 51.864 1.00 42.20 C +ATOM 1095 CG PRO B 38 72.739 24.289 51.049 1.00 43.72 C +ATOM 1096 CD PRO B 38 72.403 24.559 49.616 1.00 45.07 C +ATOM 1097 N GLY B 39 68.486 25.960 51.738 1.00 21.96 N +ATOM 1098 CA GLY B 39 67.711 27.165 51.950 1.00 28.37 C +ATOM 1099 C GLY B 39 66.957 27.628 50.721 1.00 32.41 C +ATOM 1100 O GLY B 39 66.367 28.710 50.728 1.00 37.77 O +ATOM 1101 N VAL B 40 66.961 26.831 49.657 1.00 20.47 N +ATOM 1102 CA VAL B 40 66.269 27.228 48.430 1.00 25.14 C +ATOM 1103 C VAL B 40 65.051 26.349 48.166 1.00 23.91 C +ATOM 1104 O VAL B 40 65.061 25.169 48.553 1.00 14.89 O +ATOM 1105 CB VAL B 40 67.270 27.170 47.259 1.00 25.40 C +ATOM 1106 CG1 VAL B 40 66.624 27.529 45.932 1.00 22.77 C +ATOM 1107 CG2 VAL B 40 68.437 28.100 47.588 1.00 29.22 C +ATOM 1108 N TYR B 41 64.036 26.931 47.526 1.00 15.64 N +ATOM 1109 CA TYR B 41 62.772 26.281 47.213 1.00 14.69 C +ATOM 1110 C TYR B 41 62.588 26.179 45.704 1.00 18.75 C +ATOM 1111 O TYR B 41 63.105 27.029 44.981 1.00 16.62 O +ATOM 1112 CB TYR B 41 61.579 27.030 47.893 1.00 17.39 C +ATOM 1113 CG TYR B 41 61.911 26.997 49.390 1.00 18.39 C +ATOM 1114 CD1 TYR B 41 62.584 28.028 50.009 1.00 18.58 C +ATOM 1115 CD2 TYR B 41 61.549 25.877 50.119 1.00 14.49 C +ATOM 1116 CE1 TYR B 41 62.883 27.958 51.365 1.00 16.75 C +ATOM 1117 CE2 TYR B 41 61.840 25.795 51.460 1.00 19.34 C +ATOM 1118 CZ TYR B 41 62.506 26.836 52.062 1.00 19.72 C +ATOM 1119 OH TYR B 41 62.773 26.720 53.410 1.00 26.73 O +ATOM 1120 N CYS B 42 61.872 25.142 45.269 1.00 11.43 N +ATOM 1121 CA CYS B 42 61.659 24.957 43.839 1.00 11.96 C +ATOM 1122 C CYS B 42 60.175 25.021 43.484 1.00 15.33 C +ATOM 1123 O CYS B 42 59.405 24.207 43.978 1.00 12.17 O +ATOM 1124 CB CYS B 42 62.176 23.606 43.377 1.00 10.71 C +ATOM 1125 SG CYS B 42 63.985 23.565 43.512 1.00 17.24 S +ATOM 1126 N LEU B 43 59.873 25.994 42.650 1.00 11.51 N +ATOM 1127 CA LEU B 43 58.501 26.155 42.167 1.00 11.81 C +ATOM 1128 C LEU B 43 58.409 25.309 40.900 1.00 13.00 C +ATOM 1129 O LEU B 43 59.144 25.621 39.943 1.00 14.96 O +ATOM 1130 CB LEU B 43 58.208 27.631 41.914 1.00 12.87 C +ATOM 1131 CG LEU B 43 56.900 27.885 41.146 1.00 16.13 C +ATOM 1132 CD1 LEU B 43 55.708 27.395 41.963 1.00 13.85 C +ATOM 1133 CD2 LEU B 43 56.772 29.352 40.807 1.00 14.95 C +ATOM 1134 N CYS B 44 57.604 24.266 40.920 1.00 12.32 N +ATOM 1135 CA CYS B 44 57.511 23.279 39.856 1.00 6.15 C +ATOM 1136 C CYS B 44 56.189 23.352 39.089 1.00 10.98 C +ATOM 1137 O CYS B 44 55.149 23.238 39.748 1.00 10.68 O +ATOM 1138 CB CYS B 44 57.605 21.862 40.446 1.00 8.39 C +ATOM 1139 SG CYS B 44 59.105 21.659 41.453 1.00 14.57 S +ATOM 1140 N VAL B 45 56.303 23.522 37.791 1.00 13.64 N +ATOM 1141 CA VAL B 45 55.138 23.663 36.930 1.00 15.22 C +ATOM 1142 C VAL B 45 55.158 22.664 35.772 1.00 13.78 C +ATOM 1143 O VAL B 45 56.174 22.557 35.074 1.00 10.03 O +ATOM 1144 CB VAL B 45 55.062 25.060 36.272 1.00 15.73 C +ATOM 1145 CG1 VAL B 45 53.586 25.364 35.994 1.00 16.57 C +ATOM 1146 CG2 VAL B 45 55.701 26.128 37.118 1.00 35.34 C +ATOM 1147 N LEU B 46 54.043 21.969 35.565 1.00 13.71 N +ATOM 1148 CA LEU B 46 53.923 21.026 34.451 1.00 15.81 C +ATOM 1149 C LEU B 46 53.574 21.735 33.144 1.00 14.38 C +ATOM 1150 O LEU B 46 52.583 22.473 33.102 1.00 13.19 O +ATOM 1151 CB LEU B 46 52.859 19.961 34.745 1.00 13.26 C +ATOM 1152 CG LEU B 46 52.644 18.931 33.630 1.00 16.08 C +ATOM 1153 CD1 LEU B 46 53.869 18.036 33.471 1.00 18.27 C +ATOM 1154 CD2 LEU B 46 51.408 18.080 33.885 1.00 15.39 C +ATOM 1155 N TYR B 47 54.380 21.504 32.103 1.00 12.23 N +ATOM 1156 CA TYR B 47 54.049 22.010 30.765 1.00 12.40 C +ATOM 1157 C TYR B 47 54.672 21.079 29.732 1.00 16.12 C +ATOM 1158 O TYR B 47 55.864 20.761 29.839 1.00 11.96 O +ATOM 1159 CB TYR B 47 54.537 23.432 30.608 1.00 12.22 C +ATOM 1160 CG TYR B 47 54.394 24.084 29.256 1.00 12.46 C +ATOM 1161 CD1 TYR B 47 53.261 24.756 28.871 1.00 18.72 C +ATOM 1162 CD2 TYR B 47 55.458 23.991 28.347 1.00 17.40 C +ATOM 1163 CE1 TYR B 47 53.129 25.350 27.618 1.00 17.71 C +ATOM 1164 CE2 TYR B 47 55.336 24.591 27.107 1.00 21.68 C +ATOM 1165 CZ TYR B 47 54.196 25.260 26.744 1.00 27.81 C +ATOM 1166 OH TYR B 47 54.103 25.848 25.494 1.00 25.93 O +ATOM 1167 N HIS B 48 53.860 20.654 28.776 1.00 12.23 N +ATOM 1168 CA HIS B 48 54.325 19.758 27.705 1.00 10.33 C +ATOM 1169 C HIS B 48 55.188 18.598 28.196 1.00 16.32 C +ATOM 1170 O HIS B 48 56.294 18.343 27.701 1.00 16.14 O +ATOM 1171 CB HIS B 48 55.073 20.563 26.631 1.00 13.80 C +ATOM 1172 CG HIS B 48 54.156 21.514 25.897 1.00 15.31 C +ATOM 1173 ND1 HIS B 48 54.553 22.224 24.786 1.00 17.89 N +ATOM 1174 CD2 HIS B 48 52.861 21.879 26.141 1.00 11.71 C +ATOM 1175 CE1 HIS B 48 53.547 22.983 24.365 1.00 19.18 C +ATOM 1176 NE2 HIS B 48 52.514 22.794 25.172 1.00 16.69 N +ATOM 1177 N GLY B 49 54.695 17.841 29.170 1.00 18.41 N +ATOM 1178 CA GLY B 49 55.323 16.654 29.708 1.00 18.92 C +ATOM 1179 C GLY B 49 56.540 16.894 30.564 1.00 13.14 C +ATOM 1180 O GLY B 49 57.102 15.943 31.098 1.00 13.98 O +ATOM 1181 N TYR B 50 57.007 18.126 30.753 1.00 9.34 N +ATOM 1182 CA TYR B 50 58.181 18.357 31.582 1.00 10.16 C +ATOM 1183 C TYR B 50 57.803 19.162 32.823 1.00 13.26 C +ATOM 1184 O TYR B 50 56.800 19.862 32.815 1.00 15.26 O +ATOM 1185 CB TYR B 50 59.262 19.173 30.879 1.00 17.14 C +ATOM 1186 CG TYR B 50 60.142 18.476 29.885 1.00 24.04 C +ATOM 1187 CD1 TYR B 50 60.540 19.131 28.723 1.00 44.21 C +ATOM 1188 CD2 TYR B 50 60.599 17.185 30.071 1.00 30.05 C +ATOM 1189 CE1 TYR B 50 61.354 18.514 27.793 1.00 50.57 C +ATOM 1190 CE2 TYR B 50 61.409 16.558 29.152 1.00 40.64 C +ATOM 1191 CZ TYR B 50 61.789 17.226 28.006 1.00 50.16 C +ATOM 1192 OH TYR B 50 62.598 16.600 27.083 1.00 66.78 O +ATOM 1193 N ILE B 51 58.653 19.073 33.846 1.00 12.81 N +ATOM 1194 CA ILE B 51 58.379 19.894 35.029 1.00 8.75 C +ATOM 1195 C ILE B 51 59.356 21.056 35.042 1.00 12.93 C +ATOM 1196 O ILE B 51 60.520 20.931 35.410 1.00 14.19 O +ATOM 1197 CB ILE B 51 58.424 19.078 36.321 1.00 8.62 C +ATOM 1198 CG1 ILE B 51 57.361 17.973 36.344 1.00 14.66 C +ATOM 1199 CG2 ILE B 51 58.232 19.990 37.535 1.00 9.55 C +ATOM 1200 CD1 ILE B 51 57.729 16.757 35.512 1.00 20.57 C +ATOM 1201 N TYR B 52 58.845 22.203 34.599 1.00 11.67 N +ATOM 1202 CA TYR B 52 59.679 23.400 34.548 1.00 7.64 C +ATOM 1203 C TYR B 52 59.810 23.887 35.979 1.00 15.50 C +ATOM 1204 O TYR B 52 58.819 24.090 36.678 1.00 13.37 O +ATOM 1205 CB TYR B 52 59.064 24.474 33.660 1.00 11.35 C +ATOM 1206 CG TYR B 52 59.230 24.114 32.185 1.00 9.69 C +ATOM 1207 CD1 TYR B 52 58.491 23.121 31.569 1.00 15.24 C +ATOM 1208 CD2 TYR B 52 60.163 24.808 31.426 1.00 16.55 C +ATOM 1209 CE1 TYR B 52 58.648 22.797 30.216 1.00 14.57 C +ATOM 1210 CE2 TYR B 52 60.327 24.497 30.080 1.00 19.46 C +ATOM 1211 CZ TYR B 52 59.578 23.506 29.479 1.00 18.57 C +ATOM 1212 OH TYR B 52 59.791 23.235 28.145 1.00 16.94 O +ATOM 1213 N THR B 53 61.050 24.020 36.386 1.00 12.00 N +ATOM 1214 CA THR B 53 61.334 24.216 37.804 1.00 10.80 C +ATOM 1215 C THR B 53 62.115 25.496 38.039 1.00 16.91 C +ATOM 1216 O THR B 53 63.171 25.697 37.440 1.00 11.62 O +ATOM 1217 CB THR B 53 62.155 23.009 38.304 1.00 16.28 C +ATOM 1218 OG1 THR B 53 61.360 21.827 38.072 1.00 14.37 O +ATOM 1219 CG2 THR B 53 62.446 23.127 39.793 1.00 11.71 C +ATOM 1220 N TYR B 54 61.576 26.357 38.894 1.00 11.58 N +ATOM 1221 CA TYR B 54 62.176 27.652 39.167 1.00 12.38 C +ATOM 1222 C TYR B 54 62.717 27.727 40.595 1.00 17.22 C +ATOM 1223 O TYR B 54 61.970 27.569 41.570 1.00 14.55 O +ATOM 1224 CB TYR B 54 61.109 28.739 38.956 1.00 12.27 C +ATOM 1225 CG TYR B 54 60.593 28.765 37.525 1.00 13.25 C +ATOM 1226 CD1 TYR B 54 59.579 27.914 37.114 1.00 18.24 C +ATOM 1227 CD2 TYR B 54 61.124 29.644 36.586 1.00 13.56 C +ATOM 1228 CE1 TYR B 54 59.088 27.917 35.818 1.00 10.32 C +ATOM 1229 CE2 TYR B 54 60.642 29.662 35.283 1.00 13.03 C +ATOM 1230 CZ TYR B 54 59.635 28.798 34.917 1.00 14.21 C +ATOM 1231 OH TYR B 54 59.157 28.806 33.624 1.00 13.80 O +ATOM 1232 N ARG B 55 64.025 27.980 40.715 1.00 12.67 N +ATOM 1233 CA ARG B 55 64.557 28.153 42.055 1.00 12.69 C +ATOM 1234 C ARG B 55 64.134 29.492 42.661 1.00 17.17 C +ATOM 1235 O ARG B 55 64.276 30.549 42.045 1.00 16.28 O +ATOM 1236 CB ARG B 55 66.095 28.016 41.995 1.00 20.05 C +ATOM 1237 CG ARG B 55 66.522 26.586 41.685 1.00 19.01 C +ATOM 1238 CD ARG B 55 67.967 26.322 42.098 1.00 25.38 C +ATOM 1239 NE ARG B 55 68.380 24.964 41.724 1.00 21.03 N +ATOM 1240 CZ ARG B 55 68.975 24.668 40.570 1.00 29.26 C +ATOM 1241 NH1 ARG B 55 69.222 25.624 39.685 1.00 45.12 N +ATOM 1242 NH2 ARG B 55 69.325 23.415 40.291 1.00 25.86 N +ATOM 1243 N VAL B 56 63.614 29.414 43.883 1.00 14.49 N +ATOM 1244 CA VAL B 56 63.138 30.543 44.679 1.00 14.97 C +ATOM 1245 C VAL B 56 63.953 30.668 45.971 1.00 14.54 C +ATOM 1246 O VAL B 56 64.019 29.719 46.753 1.00 14.41 O +ATOM 1247 CB VAL B 56 61.642 30.382 45.004 1.00 16.73 C +ATOM 1248 CG1 VAL B 56 61.155 31.514 45.912 1.00 14.41 C +ATOM 1249 CG2 VAL B 56 60.826 30.317 43.707 1.00 16.28 C +ATOM 1250 N SER B 57 64.587 31.809 46.172 1.00 17.47 N +ATOM 1251 CA SER B 57 65.510 32.042 47.267 1.00 27.22 C +ATOM 1252 C SER B 57 65.058 33.270 48.065 1.00 35.61 C +ATOM 1253 O SER B 57 64.376 34.153 47.555 1.00 21.72 O +ATOM 1254 CB SER B 57 66.953 32.278 46.817 1.00 19.09 C +ATOM 1255 OG SER B 57 67.357 31.397 45.783 1.00 25.97 O +ATOM 1256 N GLN B 58 65.477 33.286 49.322 1.00 30.69 N +ATOM 1257 CA GLN B 58 65.289 34.441 50.192 1.00 29.12 C +ATOM 1258 C GLN B 58 66.546 35.305 50.146 1.00 20.24 C +ATOM 1259 O GLN B 58 67.667 34.779 50.134 1.00 24.77 O +ATOM 1260 CB GLN B 58 64.976 33.975 51.620 1.00 22.93 C +ATOM 1261 CG GLN B 58 64.156 34.960 52.431 1.00 33.48 C +ATOM 1262 CD GLN B 58 63.875 34.421 53.831 1.00 42.39 C +ATOM 1263 OE1 GLN B 58 64.622 33.574 54.321 1.00 57.72 O +ATOM 1264 NE2 GLN B 58 62.802 34.897 54.442 1.00 37.75 N +ATOM 1265 N THR B 59 66.388 36.622 50.112 1.00 19.97 N +ATOM 1266 CA THR B 59 67.521 37.533 50.189 1.00 23.69 C +ATOM 1267 C THR B 59 67.826 37.997 51.611 1.00 29.27 C +ATOM 1268 O THR B 59 67.085 37.716 52.550 1.00 31.91 O +ATOM 1269 CB THR B 59 67.252 38.840 49.417 1.00 23.69 C +ATOM 1270 OG1 THR B 59 66.299 39.588 50.192 1.00 30.25 O +ATOM 1271 CG2 THR B 59 66.643 38.547 48.068 1.00 20.15 C +ATOM 1272 N GLU B 60 68.907 38.750 51.768 1.00 27.03 N +ATOM 1273 CA GLU B 60 69.262 39.320 53.061 1.00 31.36 C +ATOM 1274 C GLU B 60 68.216 40.237 53.637 1.00 20.17 C +ATOM 1275 O GLU B 60 68.218 40.606 54.820 1.00 29.02 O +ATOM 1276 CB GLU B 60 70.552 40.164 52.910 1.00 30.58 C +ATOM 1277 CG GLU B 60 70.223 41.428 52.100 1.00 25.80 C +ATOM 1278 CD GLU B 60 71.468 41.920 51.372 1.00 28.79 C +ATOM 1279 OE1 GLU B 60 72.100 41.100 50.683 1.00 31.82 O +ATOM 1280 OE2 GLU B 60 71.789 43.114 51.522 1.00 20.68 O +ATOM 1281 N THR B 61 67.245 40.697 52.847 1.00 26.64 N +ATOM 1282 CA THR B 61 66.241 41.537 53.495 1.00 30.60 C +ATOM 1283 C THR B 61 64.973 40.753 53.839 1.00 29.12 C +ATOM 1284 O THR B 61 64.027 41.399 54.292 1.00 38.09 O +ATOM 1285 CB THR B 61 65.792 42.727 52.627 1.00 32.82 C +ATOM 1286 OG1 THR B 61 65.034 42.247 51.511 1.00 33.12 O +ATOM 1287 CG2 THR B 61 66.999 43.468 52.072 1.00 66.53 C +ATOM 1288 N GLY B 62 64.955 39.452 53.609 1.00 32.60 N +ATOM 1289 CA GLY B 62 63.800 38.591 53.841 1.00 28.15 C +ATOM 1290 C GLY B 62 62.845 38.505 52.669 1.00 27.06 C +ATOM 1291 O GLY B 62 61.861 37.757 52.671 1.00 31.82 O +ATOM 1292 N SER B 63 63.095 39.284 51.616 1.00 24.10 N +ATOM 1293 CA SER B 63 62.261 39.178 50.425 1.00 21.63 C +ATOM 1294 C SER B 63 62.605 37.886 49.692 1.00 15.90 C +ATOM 1295 O SER B 63 63.615 37.259 50.019 1.00 19.81 O +ATOM 1296 CB SER B 63 62.487 40.402 49.542 1.00 21.60 C +ATOM 1297 OG SER B 63 63.806 40.341 49.008 1.00 41.66 O +ATOM 1298 N TRP B 64 61.787 37.493 48.728 1.00 20.15 N +ATOM 1299 CA TRP B 64 61.987 36.300 47.926 1.00 16.13 C +ATOM 1300 C TRP B 64 61.961 36.592 46.430 1.00 13.54 C +ATOM 1301 O TRP B 64 61.212 37.489 46.012 1.00 16.74 O +ATOM 1302 CB TRP B 64 60.855 35.302 48.161 1.00 26.77 C +ATOM 1303 CG TRP B 64 60.677 34.918 49.592 1.00 26.86 C +ATOM 1304 CD1 TRP B 64 60.067 35.590 50.604 1.00 28.09 C +ATOM 1305 CD2 TRP B 64 61.163 33.688 50.134 1.00 18.34 C +ATOM 1306 NE1 TRP B 64 60.148 34.843 51.754 1.00 30.96 N +ATOM 1307 CE2 TRP B 64 60.812 33.678 51.497 1.00 27.73 C +ATOM 1308 CE3 TRP B 64 61.858 32.618 49.577 1.00 27.10 C +ATOM 1309 CZ2 TRP B 64 61.142 32.607 52.324 1.00 37.36 C +ATOM 1310 CZ3 TRP B 64 62.182 31.560 50.409 1.00 44.11 C +ATOM 1311 CH2 TRP B 64 61.829 31.563 51.762 1.00 38.89 C +ATOM 1312 N SER B 65 62.723 35.825 45.645 1.00 14.55 N +ATOM 1313 CA SER B 65 62.644 35.980 44.207 1.00 14.03 C +ATOM 1314 C SER B 65 62.941 34.674 43.485 1.00 14.70 C +ATOM 1315 O SER B 65 63.592 33.796 44.045 1.00 16.28 O +ATOM 1316 CB SER B 65 63.659 37.026 43.723 1.00 14.06 C +ATOM 1317 OG SER B 65 64.939 36.572 44.116 1.00 24.69 O +ATOM 1318 N ALA B 66 62.463 34.565 42.247 1.00 13.47 N +ATOM 1319 CA ALA B 66 62.798 33.390 41.453 1.00 15.45 C +ATOM 1320 C ALA B 66 64.020 33.650 40.567 1.00 16.23 C +ATOM 1321 O ALA B 66 64.258 34.775 40.144 1.00 14.94 O +ATOM 1322 CB ALA B 66 61.641 32.940 40.566 1.00 9.55 C +ATOM 1323 N GLU B 67 64.783 32.594 40.293 1.00 13.54 N +ATOM 1324 CA GLU B 67 65.870 32.694 39.324 1.00 17.74 C +ATOM 1325 C GLU B 67 65.424 33.371 38.032 1.00 21.28 C +ATOM 1326 O GLU B 67 64.422 32.999 37.426 1.00 12.75 O +ATOM 1327 CB GLU B 67 66.416 31.281 39.070 1.00 18.17 C +ATOM 1328 CG GLU B 67 67.703 31.323 38.264 1.00 15.97 C +ATOM 1329 CD GLU B 67 68.305 29.956 38.017 1.00 30.57 C +ATOM 1330 OE1 GLU B 67 67.932 28.958 38.658 1.00 30.20 O +ATOM 1331 OE2 GLU B 67 69.204 29.891 37.150 1.00 35.05 O +ATOM 1332 N THR B 68 66.170 34.403 37.602 1.00 18.30 N +ATOM 1333 CA THR B 68 65.724 35.294 36.531 1.00 21.70 C +ATOM 1334 C THR B 68 66.701 35.385 35.376 1.00 24.38 C +ATOM 1335 O THR B 68 67.917 35.346 35.597 1.00 18.87 O +ATOM 1336 CB THR B 68 65.514 36.709 37.120 1.00 18.11 C +ATOM 1337 OG1 THR B 68 64.497 36.589 38.120 1.00 17.51 O +ATOM 1338 CG2 THR B 68 65.037 37.688 36.063 1.00 19.96 C +ATOM 1339 N ALA B 69 66.168 35.515 34.165 1.00 20.16 N +ATOM 1340 CA ALA B 69 66.989 35.471 32.963 1.00 25.17 C +ATOM 1341 C ALA B 69 67.925 36.668 32.875 1.00 18.83 C +ATOM 1342 O ALA B 69 67.538 37.779 33.245 1.00 18.74 O +ATOM 1343 CB ALA B 69 66.085 35.398 31.735 1.00 21.12 C +ATOM 1344 N PRO B 70 69.142 36.480 32.394 1.00 24.13 N +ATOM 1345 CA PRO B 70 70.034 37.632 32.185 1.00 23.58 C +ATOM 1346 C PRO B 70 69.372 38.721 31.357 1.00 23.45 C +ATOM 1347 O PRO B 70 68.745 38.429 30.339 1.00 19.73 O +ATOM 1348 CB PRO B 70 71.212 37.025 31.416 1.00 23.45 C +ATOM 1349 CG PRO B 70 71.246 35.606 31.899 1.00 32.09 C +ATOM 1350 CD PRO B 70 69.788 35.209 32.023 1.00 27.90 C +ATOM 1351 N GLY B 71 69.502 39.971 31.805 1.00 21.18 N +ATOM 1352 CA GLY B 71 68.960 41.115 31.112 1.00 15.83 C +ATOM 1353 C GLY B 71 67.563 41.492 31.553 1.00 27.20 C +ATOM 1354 O GLY B 71 67.022 42.541 31.214 1.00 31.10 O +ATOM 1355 N VAL B 72 66.923 40.629 32.336 1.00 25.74 N +ATOM 1356 CA VAL B 72 65.549 40.902 32.751 1.00 23.20 C +ATOM 1357 C VAL B 72 65.509 41.485 34.154 1.00 18.03 C +ATOM 1358 O VAL B 72 66.296 41.104 35.026 1.00 15.44 O +ATOM 1359 CB VAL B 72 64.722 39.604 32.681 1.00 26.89 C +ATOM 1360 CG1 VAL B 72 63.356 39.805 33.316 1.00 26.04 C +ATOM 1361 CG2 VAL B 72 64.621 39.124 31.230 1.00 31.54 C +ATOM 1362 N HIS B 73 64.580 42.426 34.340 1.00 21.46 N +ATOM 1363 CA HIS B 73 64.396 43.044 35.644 1.00 27.71 C +ATOM 1364 C HIS B 73 63.911 42.035 36.682 1.00 24.44 C +ATOM 1365 O HIS B 73 62.796 41.522 36.534 1.00 18.29 O +ATOM 1366 CB HIS B 73 63.384 44.197 35.534 1.00 31.10 C +ATOM 1367 CG HIS B 73 63.102 44.803 36.879 1.00 35.80 C +ATOM 1368 ND1 HIS B 73 63.956 45.700 37.488 1.00 33.24 N +ATOM 1369 CD2 HIS B 73 62.066 44.629 37.733 1.00 36.66 C +ATOM 1370 CE1 HIS B 73 63.451 46.059 38.655 1.00 36.86 C +ATOM 1371 NE2 HIS B 73 62.304 45.421 38.831 1.00 38.81 N +ATOM 1372 N LYS B 74 64.716 41.782 37.705 1.00 18.29 N +ATOM 1373 CA LYS B 74 64.371 40.791 38.742 1.00 17.26 C +ATOM 1374 C LYS B 74 63.360 41.312 39.746 1.00 16.97 C +ATOM 1375 O LYS B 74 63.378 42.457 40.213 1.00 18.01 O +ATOM 1376 CB LYS B 74 65.683 40.325 39.385 1.00 20.13 C +ATOM 1377 CG LYS B 74 65.563 39.379 40.552 1.00 22.68 C +ATOM 1378 CD LYS B 74 66.839 38.597 40.828 1.00 25.67 C +ATOM 1379 CE LYS B 74 66.537 37.310 41.583 1.00 18.57 C +ATOM 1380 NZ LYS B 74 67.736 36.481 41.857 1.00 23.30 N +ATOM 1381 N ARG B 75 62.378 40.481 40.126 1.00 19.36 N +ATOM 1382 CA ARG B 75 61.307 40.911 41.014 1.00 20.98 C +ATOM 1383 C ARG B 75 61.437 40.228 42.371 1.00 18.33 C +ATOM 1384 O ARG B 75 61.559 39.008 42.460 1.00 19.70 O +ATOM 1385 CB ARG B 75 59.899 40.612 40.462 1.00 16.62 C +ATOM 1386 CG ARG B 75 59.516 41.466 39.259 1.00 15.66 C +ATOM 1387 CD ARG B 75 58.156 41.013 38.729 1.00 29.10 C +ATOM 1388 NE ARG B 75 58.250 40.160 37.553 1.00 28.45 N +ATOM 1389 CZ ARG B 75 57.276 39.431 37.019 1.00 33.62 C +ATOM 1390 NH1 ARG B 75 56.062 39.413 37.554 1.00 18.82 N +ATOM 1391 NH2 ARG B 75 57.516 38.702 35.929 1.00 23.95 N +ATOM 1392 N TYR B 76 61.403 41.070 43.392 1.00 20.11 N +ATOM 1393 CA TYR B 76 61.530 40.602 44.766 1.00 22.45 C +ATOM 1394 C TYR B 76 60.169 40.802 45.439 1.00 23.50 C +ATOM 1395 O TYR B 76 59.520 41.824 45.221 1.00 22.82 O +ATOM 1396 CB TYR B 76 62.647 41.352 45.483 1.00 24.38 C +ATOM 1397 CG TYR B 76 64.017 41.182 44.871 1.00 16.47 C +ATOM 1398 CD1 TYR B 76 64.858 40.173 45.339 1.00 15.41 C +ATOM 1399 CD2 TYR B 76 64.490 42.006 43.853 1.00 19.23 C +ATOM 1400 CE1 TYR B 76 66.119 40.004 44.799 1.00 16.81 C +ATOM 1401 CE2 TYR B 76 65.759 41.829 43.304 1.00 15.47 C +ATOM 1402 CZ TYR B 76 66.568 40.827 43.780 1.00 15.16 C +ATOM 1403 OH TYR B 76 67.832 40.600 43.276 1.00 18.19 O +ATOM 1404 N PHE B 77 59.741 39.824 46.211 1.00 21.09 N +ATOM 1405 CA PHE B 77 58.414 39.804 46.814 1.00 21.98 C +ATOM 1406 C PHE B 77 58.546 39.783 48.325 1.00 18.57 C +ATOM 1407 O PHE B 77 59.453 39.115 48.830 1.00 24.72 O +ATOM 1408 CB PHE B 77 57.650 38.555 46.343 1.00 20.86 C +ATOM 1409 CG PHE B 77 57.397 38.649 44.844 1.00 14.50 C +ATOM 1410 CD1 PHE B 77 58.293 38.097 43.949 1.00 17.97 C +ATOM 1411 CD2 PHE B 77 56.251 39.300 44.410 1.00 16.43 C +ATOM 1412 CE1 PHE B 77 58.042 38.184 42.577 1.00 15.63 C +ATOM 1413 CE2 PHE B 77 56.016 39.405 43.055 1.00 17.01 C +ATOM 1414 CZ PHE B 77 56.915 38.860 42.157 1.00 20.60 C +ATOM 1415 N ARG B 78 57.689 40.486 49.048 1.00 22.69 N +ATOM 1416 CA ARG B 78 57.891 40.482 50.508 1.00 29.33 C +ATOM 1417 C ARG B 78 57.732 39.074 51.051 1.00 29.36 C +ATOM 1418 O ARG B 78 58.442 38.603 51.940 1.00 26.53 O +ATOM 1419 CB ARG B 78 56.936 41.482 51.146 1.00 34.96 C +ATOM 1420 N LYS B 79 56.766 38.341 50.488 1.00 23.82 N +ATOM 1421 CA LYS B 79 56.524 36.982 50.972 1.00 24.22 C +ATOM 1422 C LYS B 79 56.363 36.015 49.810 1.00 20.21 C +ATOM 1423 O LYS B 79 55.936 36.414 48.724 1.00 18.12 O +ATOM 1424 CB LYS B 79 55.292 36.937 51.867 1.00 44.47 C +ATOM 1425 N ILE B 80 56.700 34.752 50.045 1.00 19.35 N +ATOM 1426 CA ILE B 80 56.636 33.793 48.937 1.00 21.08 C +ATOM 1427 C ILE B 80 55.221 33.615 48.426 1.00 24.19 C +ATOM 1428 O ILE B 80 54.997 33.306 47.241 1.00 23.77 O +ATOM 1429 CB ILE B 80 57.278 32.473 49.392 1.00 29.78 C +ATOM 1430 CG1 ILE B 80 57.507 31.468 48.263 1.00 30.16 C +ATOM 1431 CG2 ILE B 80 56.470 31.855 50.520 1.00 42.66 C +ATOM 1432 CD1 ILE B 80 58.552 30.425 48.603 1.00 56.23 C +ATOM 1433 N LYS B 81 54.224 33.828 49.279 1.00 25.31 N +ATOM 1434 CA LYS B 81 52.828 33.770 48.824 1.00 19.00 C +ATOM 1435 C LYS B 81 52.556 34.849 47.810 1.00 16.09 C +ATOM 1436 O LYS B 81 51.745 34.794 46.884 1.00 18.54 O +ATOM 1437 CB LYS B 81 51.897 33.891 50.028 1.00 35.07 C +ATOM 1438 N ASN B 82 53.279 35.979 47.948 1.00 15.41 N +ATOM 1439 CA ASN B 82 53.025 37.012 46.933 1.00 17.54 C +ATOM 1440 C ASN B 82 53.689 36.665 45.605 1.00 17.99 C +ATOM 1441 O ASN B 82 53.155 37.026 44.557 1.00 18.98 O +ATOM 1442 CB ASN B 82 53.541 38.360 47.426 1.00 24.82 C +ATOM 1443 CG ASN B 82 53.092 38.640 48.848 1.00 28.95 C +ATOM 1444 OD1 ASN B 82 51.942 38.391 49.198 1.00 30.68 O +ATOM 1445 ND2 ASN B 82 53.980 39.148 49.689 1.00 33.96 N +ATOM 1446 N LEU B 83 54.835 35.994 45.675 1.00 17.16 N +ATOM 1447 CA LEU B 83 55.509 35.503 44.474 1.00 16.98 C +ATOM 1448 C LEU B 83 54.569 34.519 43.785 1.00 13.45 C +ATOM 1449 O LEU B 83 54.375 34.501 42.570 1.00 17.06 O +ATOM 1450 CB LEU B 83 56.855 34.863 44.841 1.00 15.83 C +ATOM 1451 CG LEU B 83 57.779 34.356 43.734 1.00 16.66 C +ATOM 1452 CD1 LEU B 83 59.233 34.268 44.223 1.00 10.64 C +ATOM 1453 CD2 LEU B 83 57.405 32.978 43.199 1.00 14.75 C +ATOM 1454 N ILE B 84 53.980 33.618 44.586 1.00 14.09 N +ATOM 1455 CA ILE B 84 53.140 32.614 43.914 1.00 18.91 C +ATOM 1456 C ILE B 84 51.937 33.290 43.285 1.00 20.38 C +ATOM 1457 O ILE B 84 51.512 32.911 42.196 1.00 15.43 O +ATOM 1458 CB ILE B 84 52.727 31.508 44.900 1.00 22.27 C +ATOM 1459 CG1 ILE B 84 53.845 30.502 45.197 1.00 25.24 C +ATOM 1460 CG2 ILE B 84 51.480 30.774 44.436 1.00 15.77 C +ATOM 1461 CD1 ILE B 84 53.695 29.795 46.519 1.00 25.57 C +ATOM 1462 N SER B 85 51.369 34.293 43.954 1.00 18.43 N +ATOM 1463 CA SER B 85 50.167 34.920 43.389 1.00 14.34 C +ATOM 1464 C SER B 85 50.547 35.714 42.151 1.00 13.51 C +ATOM 1465 O SER B 85 49.758 35.766 41.209 1.00 14.14 O +ATOM 1466 CB SER B 85 49.424 35.790 44.414 1.00 18.84 C +ATOM 1467 OG SER B 85 49.112 35.044 45.584 1.00 27.87 O +ATOM 1468 N ALA B 86 51.731 36.324 42.127 1.00 16.48 N +ATOM 1469 CA ALA B 86 52.206 37.047 40.956 1.00 14.27 C +ATOM 1470 C ALA B 86 52.208 36.164 39.711 1.00 15.62 C +ATOM 1471 O ALA B 86 51.797 36.536 38.623 1.00 15.01 O +ATOM 1472 CB ALA B 86 53.634 37.557 41.196 1.00 12.55 C +ATOM 1473 N PHE B 87 52.698 34.932 39.870 1.00 16.81 N +ATOM 1474 CA PHE B 87 52.849 34.005 38.749 1.00 12.56 C +ATOM 1475 C PHE B 87 51.572 33.242 38.444 1.00 13.07 C +ATOM 1476 O PHE B 87 51.534 32.385 37.559 1.00 17.09 O +ATOM 1477 CB PHE B 87 54.021 33.039 39.042 1.00 10.32 C +ATOM 1478 CG PHE B 87 55.335 33.797 38.910 1.00 11.80 C +ATOM 1479 CD1 PHE B 87 56.125 34.057 39.998 1.00 22.71 C +ATOM 1480 CD2 PHE B 87 55.731 34.259 37.661 1.00 14.66 C +ATOM 1481 CE1 PHE B 87 57.304 34.778 39.852 1.00 23.26 C +ATOM 1482 CE2 PHE B 87 56.910 34.971 37.506 1.00 22.61 C +ATOM 1483 CZ PHE B 87 57.702 35.231 38.610 1.00 22.32 C +ATOM 1484 N GLN B 88 50.483 33.564 39.130 1.00 12.03 N +ATOM 1485 CA GLN B 88 49.178 33.093 38.708 1.00 14.35 C +ATOM 1486 C GLN B 88 48.588 33.966 37.620 1.00 22.84 C +ATOM 1487 O GLN B 88 47.569 33.606 37.021 1.00 15.49 O +ATOM 1488 CB GLN B 88 48.216 33.102 39.911 1.00 15.84 C +ATOM 1489 CG GLN B 88 48.581 31.994 40.902 1.00 13.98 C +ATOM 1490 CD GLN B 88 47.761 32.094 42.177 1.00 20.82 C +ATOM 1491 OE1 GLN B 88 47.015 33.052 42.360 1.00 15.21 O +ATOM 1492 NE2 GLN B 88 47.919 31.114 43.062 1.00 16.44 N +ATOM 1493 N LYS B 89 49.193 35.127 37.381 1.00 18.66 N +ATOM 1494 CA LYS B 89 48.694 36.008 36.329 1.00 11.92 C +ATOM 1495 C LYS B 89 49.253 35.598 34.973 1.00 17.15 C +ATOM 1496 O LYS B 89 50.287 34.918 34.878 1.00 18.42 O +ATOM 1497 CB LYS B 89 49.073 37.463 36.604 1.00 17.10 C +ATOM 1498 CG LYS B 89 48.626 38.028 37.949 1.00 21.30 C +ATOM 1499 CD LYS B 89 48.905 39.523 37.997 1.00 22.63 C +ATOM 1500 CE LYS B 89 48.424 40.172 39.265 1.00 44.92 C +ATOM 1501 NZ LYS B 89 48.301 41.652 39.143 1.00 71.24 N +ATOM 1502 N PRO B 90 48.584 36.023 33.903 1.00 18.91 N +ATOM 1503 CA PRO B 90 49.070 35.753 32.551 1.00 20.57 C +ATOM 1504 C PRO B 90 50.321 36.561 32.210 1.00 21.89 C +ATOM 1505 O PRO B 90 50.505 37.657 32.743 1.00 24.16 O +ATOM 1506 CB PRO B 90 47.913 36.219 31.662 1.00 27.48 C +ATOM 1507 CG PRO B 90 46.738 36.365 32.578 1.00 24.76 C +ATOM 1508 CD PRO B 90 47.310 36.769 33.905 1.00 24.17 C +ATOM 1509 N ASP B 91 51.135 35.994 31.327 1.00 15.62 N +ATOM 1510 CA ASP B 91 52.268 36.691 30.746 1.00 16.38 C +ATOM 1511 C ASP B 91 53.231 37.299 31.741 1.00 25.38 C +ATOM 1512 O ASP B 91 53.503 38.505 31.671 1.00 21.55 O +ATOM 1513 CB ASP B 91 51.694 37.812 29.851 1.00 25.38 C +ATOM 1514 CG ASP B 91 52.766 38.419 28.965 1.00 35.74 C +ATOM 1515 OD1 ASP B 91 52.709 39.649 28.752 1.00 47.27 O +ATOM 1516 OD2 ASP B 91 53.647 37.657 28.510 1.00 47.76 O +ATOM 1517 N GLN B 92 53.737 36.499 32.671 1.00 25.34 N +ATOM 1518 CA GLN B 92 54.625 36.979 33.725 1.00 13.04 C +ATOM 1519 C GLN B 92 56.026 36.410 33.571 1.00 19.12 C +ATOM 1520 O GLN B 92 56.882 36.570 34.443 1.00 20.51 O +ATOM 1521 CB GLN B 92 54.052 36.578 35.089 1.00 11.02 C +ATOM 1522 CG GLN B 92 52.744 37.222 35.474 1.00 12.62 C +ATOM 1523 CD GLN B 92 52.775 38.739 35.534 1.00 19.77 C +ATOM 1524 OE1 GLN B 92 53.616 39.317 36.226 1.00 25.65 O +ATOM 1525 NE2 GLN B 92 51.851 39.394 34.828 1.00 18.38 N +ATOM 1526 N GLY B 93 56.301 35.716 32.461 1.00 17.60 N +ATOM 1527 CA GLY B 93 57.662 35.263 32.250 1.00 18.10 C +ATOM 1528 C GLY B 93 57.965 33.838 32.654 1.00 16.94 C +ATOM 1529 O GLY B 93 59.137 33.457 32.662 1.00 12.84 O +ATOM 1530 N ILE B 94 56.942 33.039 32.985 1.00 13.80 N +ATOM 1531 CA ILE B 94 57.221 31.622 33.224 1.00 12.21 C +ATOM 1532 C ILE B 94 56.528 30.789 32.156 1.00 17.03 C +ATOM 1533 O ILE B 94 55.789 31.311 31.326 1.00 16.00 O +ATOM 1534 CB ILE B 94 56.806 31.144 34.622 1.00 12.13 C +ATOM 1535 CG1 ILE B 94 55.316 31.299 34.895 1.00 9.13 C +ATOM 1536 CG2 ILE B 94 57.641 31.820 35.709 1.00 12.27 C +ATOM 1537 CD1 ILE B 94 54.819 30.559 36.129 1.00 10.41 C +ATOM 1538 N VAL B 95 56.737 29.482 32.125 1.00 16.10 N +ATOM 1539 CA VAL B 95 56.325 28.749 30.909 1.00 15.07 C +ATOM 1540 C VAL B 95 54.825 28.743 30.732 1.00 11.07 C +ATOM 1541 O VAL B 95 54.297 28.746 29.622 1.00 12.18 O +ATOM 1542 CB VAL B 95 56.944 27.337 30.937 1.00 17.67 C +ATOM 1543 CG1 VAL B 95 56.335 26.457 32.022 1.00 12.04 C +ATOM 1544 CG2 VAL B 95 56.848 26.720 29.555 1.00 24.89 C +ATOM 1545 N ILE B 96 54.052 28.750 31.808 1.00 9.79 N +ATOM 1546 CA ILE B 96 52.601 28.800 31.728 1.00 7.60 C +ATOM 1547 C ILE B 96 52.173 29.326 33.097 1.00 9.70 C +ATOM 1548 O ILE B 96 52.868 29.024 34.077 1.00 12.92 O +ATOM 1549 CB ILE B 96 51.911 27.461 31.417 1.00 15.26 C +ATOM 1550 CG1 ILE B 96 50.389 27.570 31.202 1.00 13.26 C +ATOM 1551 CG2 ILE B 96 52.201 26.418 32.496 1.00 15.38 C +ATOM 1552 CD1 ILE B 96 49.720 26.250 30.833 1.00 13.35 C +ATOM 1553 N PRO B 97 51.125 30.106 33.215 1.00 15.39 N +ATOM 1554 CA PRO B 97 50.735 30.533 34.570 1.00 12.35 C +ATOM 1555 C PRO B 97 50.349 29.373 35.478 1.00 16.62 C +ATOM 1556 O PRO B 97 49.839 28.311 35.102 1.00 12.81 O +ATOM 1557 CB PRO B 97 49.539 31.463 34.303 1.00 11.92 C +ATOM 1558 CG PRO B 97 49.788 31.952 32.900 1.00 18.48 C +ATOM 1559 CD PRO B 97 50.293 30.721 32.157 1.00 15.50 C +ATOM 1560 N LEU B 98 50.607 29.624 36.758 1.00 12.94 N +ATOM 1561 CA LEU B 98 50.305 28.674 37.835 1.00 8.44 C +ATOM 1562 C LEU B 98 48.795 28.561 37.999 1.00 17.50 C +ATOM 1563 O LEU B 98 48.182 29.551 38.420 1.00 13.68 O +ATOM 1564 CB LEU B 98 50.896 29.158 39.152 1.00 7.41 C +ATOM 1565 CG LEU B 98 52.402 29.388 39.233 1.00 12.62 C +ATOM 1566 CD1 LEU B 98 52.803 29.730 40.671 1.00 8.79 C +ATOM 1567 CD2 LEU B 98 53.185 28.182 38.735 1.00 13.61 C +ATOM 1568 N GLN B 99 48.181 27.418 37.696 1.00 15.82 N +ATOM 1569 CA GLN B 99 46.728 27.340 37.671 1.00 8.19 C +ATOM 1570 C GLN B 99 46.138 26.203 38.480 1.00 14.39 C +ATOM 1571 O GLN B 99 45.015 26.314 38.987 1.00 16.94 O +ATOM 1572 CB GLN B 99 46.255 27.206 36.213 1.00 9.65 C +ATOM 1573 CG GLN B 99 46.579 28.449 35.394 1.00 14.33 C +ATOM 1574 CD GLN B 99 46.541 28.117 33.902 1.00 23.66 C +ATOM 1575 OE1 GLN B 99 47.567 27.945 33.235 1.00 20.73 O +ATOM 1576 NE2 GLN B 99 45.308 28.028 33.429 1.00 15.26 N +ATOM 1577 N TYR B 100 46.819 25.077 38.636 1.00 10.14 N +ATOM 1578 CA TYR B 100 46.201 23.922 39.324 1.00 12.28 C +ATOM 1579 C TYR B 100 47.111 23.468 40.457 1.00 14.12 C +ATOM 1580 O TYR B 100 48.068 22.708 40.266 1.00 13.58 O +ATOM 1581 CB TYR B 100 45.894 22.830 38.298 1.00 12.43 C +ATOM 1582 CG TYR B 100 45.181 23.392 37.065 1.00 8.57 C +ATOM 1583 CD1 TYR B 100 45.830 23.461 35.838 1.00 7.34 C +ATOM 1584 CD2 TYR B 100 43.872 23.844 37.170 1.00 11.91 C +ATOM 1585 CE1 TYR B 100 45.149 23.978 34.732 1.00 10.03 C +ATOM 1586 CE2 TYR B 100 43.167 24.364 36.083 1.00 12.17 C +ATOM 1587 CZ TYR B 100 43.841 24.417 34.872 1.00 16.18 C +ATOM 1588 OH TYR B 100 43.173 24.938 33.787 1.00 18.85 O +ATOM 1589 N PRO B 101 46.849 24.016 41.644 1.00 11.31 N +ATOM 1590 CA PRO B 101 47.722 23.824 42.801 1.00 14.58 C +ATOM 1591 C PRO B 101 47.559 22.428 43.383 1.00 12.89 C +ATOM 1592 O PRO B 101 46.472 22.038 43.801 1.00 12.23 O +ATOM 1593 CB PRO B 101 47.247 24.868 43.818 1.00 13.86 C +ATOM 1594 CG PRO B 101 45.835 25.176 43.435 1.00 9.36 C +ATOM 1595 CD PRO B 101 45.706 24.897 41.957 1.00 13.98 C +ATOM 1596 N VAL B 102 48.675 21.699 43.386 1.00 13.56 N +ATOM 1597 CA VAL B 102 48.651 20.314 43.877 1.00 18.61 C +ATOM 1598 C VAL B 102 49.118 20.356 45.323 1.00 19.40 C +ATOM 1599 O VAL B 102 50.264 20.711 45.588 1.00 15.47 O +ATOM 1600 CB VAL B 102 49.511 19.378 43.011 1.00 20.01 C +ATOM 1601 CG1 VAL B 102 49.633 17.994 43.634 1.00 22.82 C +ATOM 1602 CG2 VAL B 102 48.965 19.211 41.604 1.00 14.58 C +ATOM 1603 N GLU B 103 48.246 20.059 46.281 1.00 20.02 N +ATOM 1604 CA GLU B 103 48.580 20.213 47.690 1.00 21.66 C +ATOM 1605 C GLU B 103 48.943 18.884 48.355 1.00 25.44 C +ATOM 1606 O GLU B 103 48.640 17.812 47.824 1.00 31.14 O +ATOM 1607 CB GLU B 103 47.388 20.750 48.472 1.00 27.94 C +ATOM 1608 CG GLU B 103 46.880 22.130 48.101 1.00 35.47 C +ATOM 1609 CD GLU B 103 45.936 22.600 49.205 1.00 35.39 C +ATOM 1610 OE1 GLU B 103 45.888 21.931 50.261 1.00 60.74 O +ATOM 1611 OE2 GLU B 103 45.247 23.613 49.042 1.00 36.48 O +ATOM 1612 N LYS B 104 49.568 18.928 49.531 1.00 27.96 N +ATOM 1613 CA LYS B 104 49.961 17.642 50.124 1.00 44.80 C +ATOM 1614 C LYS B 104 48.787 16.945 50.811 1.00 43.14 C +ATOM 1615 O LYS B 104 47.605 17.322 50.668 1.00 38.09 O +ATOM 1616 CB LYS B 104 51.132 17.733 51.096 1.00 41.08 C +ATOM 1617 CG LYS B 104 51.340 18.959 51.947 1.00 45.51 C +ATOM 1618 CD LYS B 104 52.650 18.909 52.715 1.00 37.07 C +ATOM 1619 CE LYS B 104 52.652 19.814 53.929 1.00 37.47 C +ATOM 1620 NZ LYS B 104 52.672 21.274 53.596 1.00 27.83 N +ATOM 1621 OXT LYS B 104 49.126 15.956 51.494 1.00 56.25 O +TER 1622 LYS B 104 +ATOM 1623 N SER C 277 -0.104 -11.054 8.352 1.00 38.39 N +ATOM 1624 CA SER C 277 1.103 -10.220 8.325 1.00 39.00 C +ATOM 1625 C SER C 277 1.693 -10.091 9.726 1.00 36.44 C +ATOM 1626 O SER C 277 0.959 -9.665 10.630 1.00 28.63 O +ATOM 1627 CB SER C 277 0.794 -8.841 7.740 1.00 35.42 C +ATOM 1628 OG SER C 277 0.805 -7.822 8.721 1.00 58.07 O +ATOM 1629 N LEU C 278 2.965 -10.457 9.862 1.00 32.61 N +ATOM 1630 CA LEU C 278 3.682 -10.393 11.125 1.00 20.28 C +ATOM 1631 C LEU C 278 4.404 -9.064 11.303 1.00 15.55 C +ATOM 1632 O LEU C 278 4.776 -8.769 12.444 1.00 16.08 O +ATOM 1633 CB LEU C 278 4.698 -11.534 11.253 1.00 25.32 C +ATOM 1634 CG LEU C 278 4.074 -12.935 11.293 1.00 30.13 C +ATOM 1635 CD1 LEU C 278 5.104 -13.986 11.667 1.00 40.39 C +ATOM 1636 CD2 LEU C 278 2.903 -12.973 12.258 1.00 23.63 C +ATOM 1637 N THR C 279 4.586 -8.282 10.251 1.00 14.71 N +ATOM 1638 CA THR C 279 5.158 -6.940 10.382 1.00 18.29 C +ATOM 1639 C THR C 279 4.096 -5.905 10.719 1.00 15.30 C +ATOM 1640 O THR C 279 3.044 -5.809 10.059 1.00 10.89 O +ATOM 1641 CB THR C 279 5.893 -6.571 9.073 1.00 19.00 C +ATOM 1642 OG1 THR C 279 7.174 -7.229 9.039 1.00 14.73 O +ATOM 1643 CG2 THR C 279 6.176 -5.070 8.970 1.00 14.86 C +ATOM 1644 N ILE C 280 4.360 -5.101 11.755 1.00 13.64 N +ATOM 1645 CA ILE C 280 3.503 -3.954 12.090 1.00 14.69 C +ATOM 1646 C ILE C 280 4.335 -2.675 12.019 1.00 17.38 C +ATOM 1647 O ILE C 280 5.337 -2.600 12.719 1.00 13.43 O +ATOM 1648 CB ILE C 280 2.822 -4.128 13.455 1.00 12.79 C +ATOM 1649 CG1 ILE C 280 1.686 -5.174 13.423 1.00 15.91 C +ATOM 1650 CG2 ILE C 280 2.254 -2.830 14.012 1.00 13.60 C +ATOM 1651 CD1 ILE C 280 1.304 -5.647 14.809 1.00 13.53 C +HETATM 1652 N PTR C 281 3.987 -1.740 11.160 1.00 10.90 N +HETATM 1653 CA PTR C 281 4.652 -0.449 11.065 1.00 10.79 C +HETATM 1654 C PTR C 281 4.187 0.547 12.131 1.00 15.05 C +HETATM 1655 O PTR C 281 3.117 1.151 12.029 1.00 15.03 O +HETATM 1656 CB PTR C 281 4.482 0.131 9.666 1.00 12.90 C +HETATM 1657 CG PTR C 281 5.466 -0.463 8.677 1.00 13.87 C +HETATM 1658 CD1 PTR C 281 5.099 -1.554 7.913 1.00 12.92 C +HETATM 1659 CD2 PTR C 281 6.783 0.014 8.603 1.00 12.86 C +HETATM 1660 CE1 PTR C 281 5.988 -2.215 7.072 1.00 13.07 C +HETATM 1661 CE2 PTR C 281 7.681 -0.644 7.764 1.00 13.16 C +HETATM 1662 CZ PTR C 281 7.295 -1.743 7.012 1.00 12.64 C +HETATM 1663 OH PTR C 281 8.258 -2.417 6.165 1.00 14.01 O +HETATM 1664 P PTR C 281 8.544 -1.886 4.656 1.00 12.11 P +HETATM 1665 O1P PTR C 281 7.272 -2.229 3.948 1.00 15.89 O +HETATM 1666 O2P PTR C 281 9.670 -2.721 4.167 1.00 12.27 O +HETATM 1667 O3P PTR C 281 8.783 -0.450 4.648 1.00 9.40 O +ATOM 1668 N ALA C 282 5.048 0.727 13.166 1.00 13.40 N +ATOM 1669 CA ALA C 282 4.648 1.528 14.329 1.00 11.85 C +ATOM 1670 C ALA C 282 5.379 2.858 14.233 1.00 13.72 C +ATOM 1671 O ALA C 282 6.176 3.010 13.304 1.00 12.09 O +ATOM 1672 CB ALA C 282 4.959 0.761 15.596 1.00 12.33 C +ATOM 1673 N GLN C 283 5.137 3.786 15.117 1.00 10.80 N +ATOM 1674 CA GLN C 283 5.693 5.128 15.151 1.00 13.90 C +ATOM 1675 C GLN C 283 6.203 5.416 16.558 1.00 20.16 C +ATOM 1676 O GLN C 283 5.617 4.912 17.523 1.00 13.60 O +ATOM 1677 CB GLN C 283 4.619 6.146 14.754 1.00 12.56 C +ATOM 1678 CG GLN C 283 4.110 5.951 13.330 1.00 18.93 C +ATOM 1679 CD GLN C 283 3.133 7.062 12.970 1.00 16.80 C +ATOM 1680 OE1 GLN C 283 2.235 7.358 13.761 1.00 27.66 O +ATOM 1681 NE2 GLN C 283 3.320 7.633 11.796 1.00 25.33 N +ATOM 1682 N VAL C 284 7.284 6.192 16.639 1.00 12.82 N +ATOM 1683 CA VAL C 284 7.816 6.569 17.946 1.00 9.08 C +ATOM 1684 C VAL C 284 6.750 7.368 18.694 1.00 12.39 C +ATOM 1685 O VAL C 284 6.242 8.336 18.104 1.00 16.81 O +ATOM 1686 CB VAL C 284 9.118 7.389 17.816 1.00 13.40 C +ATOM 1687 CG1 VAL C 284 9.610 7.834 19.177 1.00 16.29 C +ATOM 1688 CG2 VAL C 284 10.200 6.595 17.089 1.00 11.95 C +ATOM 1689 N GLN C 285 6.401 7.007 19.926 1.00 15.71 N +ATOM 1690 CA GLN C 285 5.247 7.612 20.601 1.00 14.17 C +ATOM 1691 C GLN C 285 5.611 8.669 21.636 1.00 18.35 C +ATOM 1692 O GLN C 285 4.669 9.255 22.203 1.00 17.74 O +ATOM 1693 CB GLN C 285 4.422 6.531 21.313 1.00 15.46 C +ATOM 1694 CG GLN C 285 3.839 5.439 20.417 1.00 15.91 C +ATOM 1695 CD GLN C 285 2.656 5.939 19.610 1.00 15.85 C +ATOM 1696 OE1 GLN C 285 1.916 6.777 20.128 1.00 30.73 O +ATOM 1697 NE2 GLN C 285 2.466 5.462 18.386 1.00 15.77 N +ATOM 1698 N LYS C 286 6.882 8.916 21.900 1.00 18.13 N +ATOM 1699 CA LYS C 286 7.406 9.893 22.838 1.00 21.31 C +ATOM 1700 C LYS C 286 8.676 10.571 22.323 1.00 25.91 C +ATOM 1701 O LYS C 286 9.238 10.117 21.309 1.00 18.11 O +ATOM 1702 CB LYS C 286 7.760 9.294 24.205 1.00 17.67 C +ATOM 1703 CG LYS C 286 6.714 8.373 24.803 1.00 28.86 C +ATOM 1704 CD LYS C 286 6.922 8.154 26.305 1.00 26.29 C +ATOM 1705 CE LYS C 286 5.655 7.546 26.892 1.00 37.00 C +ATOM 1706 NZ LYS C 286 5.894 6.712 28.101 1.00 31.53 N +ATOM 1707 OXT LYS C 286 9.103 11.560 22.964 1.00 21.21 O +TER 1708 LYS C 286 +ATOM 1709 N SER D 277 65.798 12.831 33.125 1.00 48.93 N +ATOM 1710 CA SER D 277 64.866 13.397 34.099 1.00 42.46 C +ATOM 1711 C SER D 277 63.800 14.222 33.390 1.00 24.40 C +ATOM 1712 O SER D 277 64.035 14.730 32.289 1.00 42.49 O +ATOM 1713 CB SER D 277 65.600 14.253 35.133 1.00 45.96 C +ATOM 1714 OG SER D 277 64.712 14.709 36.147 1.00 39.28 O +ATOM 1715 N LEU D 278 62.626 14.356 34.005 1.00 22.27 N +ATOM 1716 CA LEU D 278 61.570 15.159 33.376 1.00 25.31 C +ATOM 1717 C LEU D 278 61.631 16.607 33.859 1.00 23.99 C +ATOM 1718 O LEU D 278 60.840 17.463 33.453 1.00 24.93 O +ATOM 1719 CB LEU D 278 60.216 14.509 33.657 1.00 25.18 C +ATOM 1720 CG LEU D 278 59.931 13.253 32.823 1.00 25.02 C +ATOM 1721 CD1 LEU D 278 58.512 12.763 33.026 1.00 31.91 C +ATOM 1722 CD2 LEU D 278 60.173 13.544 31.348 1.00 33.58 C +ATOM 1723 N THR D 279 62.585 16.880 34.737 1.00 15.95 N +ATOM 1724 CA THR D 279 62.754 18.202 35.346 1.00 14.94 C +ATOM 1725 C THR D 279 63.633 19.054 34.444 1.00 20.60 C +ATOM 1726 O THR D 279 64.687 18.600 33.981 1.00 17.79 O +ATOM 1727 CB THR D 279 63.387 18.119 36.743 1.00 14.60 C +ATOM 1728 OG1 THR D 279 62.390 17.787 37.726 1.00 15.28 O +ATOM 1729 CG2 THR D 279 63.961 19.457 37.203 1.00 9.39 C +ATOM 1730 N ILE D 280 63.209 20.279 34.190 1.00 15.97 N +ATOM 1731 CA ILE D 280 64.034 21.243 33.465 1.00 15.58 C +ATOM 1732 C ILE D 280 64.165 22.523 34.267 1.00 18.92 C +ATOM 1733 O ILE D 280 63.153 23.209 34.470 1.00 16.10 O +ATOM 1734 CB ILE D 280 63.436 21.600 32.089 1.00 22.60 C +ATOM 1735 CG1 ILE D 280 63.334 20.403 31.135 1.00 24.54 C +ATOM 1736 CG2 ILE D 280 64.234 22.742 31.479 1.00 25.81 C +ATOM 1737 CD1 ILE D 280 63.221 20.791 29.684 1.00 38.82 C +HETATM 1738 N PTR D 281 65.279 22.889 34.801 1.00 14.63 N +HETATM 1739 CA PTR D 281 65.426 24.139 35.536 1.00 16.85 C +HETATM 1740 C PTR D 281 65.355 25.333 34.590 1.00 16.62 C +HETATM 1741 O PTR D 281 65.957 25.312 33.519 1.00 18.21 O +HETATM 1742 CB PTR D 281 66.733 24.146 36.337 1.00 15.90 C +HETATM 1743 CG PTR D 281 66.604 23.385 37.653 1.00 15.72 C +HETATM 1744 CD1 PTR D 281 66.825 22.012 37.675 1.00 13.29 C +HETATM 1745 CD2 PTR D 281 66.154 24.066 38.807 1.00 13.63 C +HETATM 1746 CE1 PTR D 281 66.590 21.271 38.834 1.00 16.36 C +HETATM 1747 CE2 PTR D 281 65.927 23.329 39.963 1.00 14.40 C +HETATM 1748 CZ PTR D 281 66.141 21.954 39.965 1.00 15.08 C +HETATM 1749 OH PTR D 281 65.876 21.232 41.202 1.00 19.33 O +HETATM 1750 P PTR D 281 66.911 21.319 42.491 1.00 17.94 P +HETATM 1751 O1P PTR D 281 68.221 20.823 41.953 1.00 18.50 O +HETATM 1752 O2P PTR D 281 66.341 20.349 43.453 1.00 17.49 O +HETATM 1753 O3P PTR D 281 67.008 22.705 42.963 1.00 14.99 O +ATOM 1754 N ALA D 282 64.540 26.308 34.918 1.00 23.81 N +ATOM 1755 CA ALA D 282 64.221 27.457 34.073 1.00 14.36 C +ATOM 1756 C ALA D 282 64.405 28.789 34.781 1.00 15.78 C +ATOM 1757 O ALA D 282 64.604 28.858 36.006 1.00 14.52 O +ATOM 1758 CB ALA D 282 62.782 27.297 33.574 1.00 16.10 C +ATOM 1759 N GLN D 283 64.324 29.859 34.000 1.00 11.29 N +ATOM 1760 CA GLN D 283 64.482 31.221 34.490 1.00 12.79 C +ATOM 1761 C GLN D 283 63.299 32.107 34.129 1.00 13.31 C +ATOM 1762 O GLN D 283 62.699 31.979 33.060 1.00 16.57 O +ATOM 1763 CB GLN D 283 65.763 31.847 33.888 1.00 13.12 C +ATOM 1764 CG GLN D 283 67.008 31.143 34.378 1.00 16.62 C +ATOM 1765 CD GLN D 283 68.276 31.677 33.735 1.00 17.77 C +ATOM 1766 OE1 GLN D 283 68.295 32.100 32.577 1.00 22.53 O +ATOM 1767 NE2 GLN D 283 69.335 31.653 34.534 1.00 18.71 N +ATOM 1768 N VAL D 284 62.923 33.030 35.019 1.00 11.49 N +ATOM 1769 CA VAL D 284 61.836 33.951 34.675 1.00 17.09 C +ATOM 1770 C VAL D 284 62.342 34.851 33.541 1.00 17.19 C +ATOM 1771 O VAL D 284 63.476 35.340 33.619 1.00 19.12 O +ATOM 1772 CB VAL D 284 61.385 34.807 35.863 1.00 20.72 C +ATOM 1773 CG1 VAL D 284 60.256 35.762 35.491 1.00 14.02 C +ATOM 1774 CG2 VAL D 284 60.964 33.905 37.021 1.00 21.30 C +ATOM 1775 N GLN D 285 61.524 35.020 32.527 1.00 15.62 N +ATOM 1776 CA GLN D 285 61.873 35.613 31.247 1.00 15.65 C +ATOM 1777 C GLN D 285 61.389 37.045 31.069 1.00 16.22 C +ATOM 1778 O GLN D 285 61.732 37.635 30.041 1.00 22.76 O +ATOM 1779 CB GLN D 285 61.232 34.762 30.122 1.00 17.14 C +ATOM 1780 CG GLN D 285 61.742 33.328 30.069 1.00 14.00 C +ATOM 1781 CD GLN D 285 63.205 33.250 29.676 1.00 16.46 C +ATOM 1782 OE1 GLN D 285 63.645 33.942 28.754 1.00 18.41 O +ATOM 1783 NE2 GLN D 285 63.958 32.406 30.383 1.00 17.04 N +ATOM 1784 N LYS D 286 60.599 37.558 31.988 1.00 15.75 N +ATOM 1785 CA LYS D 286 59.967 38.865 31.969 1.00 26.78 C +ATOM 1786 C LYS D 286 59.988 39.527 33.353 1.00 27.63 C +ATOM 1787 O LYS D 286 60.017 38.797 34.357 1.00 20.40 O +ATOM 1788 CB LYS D 286 58.506 38.784 31.542 1.00 27.49 C +ATOM 1789 CG LYS D 286 58.123 39.253 30.162 1.00 35.46 C +ATOM 1790 CD LYS D 286 56.610 39.159 29.989 1.00 40.57 C +ATOM 1791 CE LYS D 286 55.891 40.437 30.382 1.00 46.44 C +ATOM 1792 NZ LYS D 286 55.980 40.759 31.833 1.00 60.37 N +ATOM 1793 OXT LYS D 286 59.955 40.776 33.397 1.00 20.25 O +TER 1794 LYS D 286 +HETATM 1795 O HOH A 105 5.663 2.485 18.912 1.00 13.15 O +HETATM 1796 O HOH A 106 11.410 10.651 17.039 1.00 17.69 O +HETATM 1797 O HOH A 107 11.587 -7.554 8.640 1.00 15.25 O +HETATM 1798 O HOH A 108 13.788 9.530 15.850 1.00 13.69 O +HETATM 1799 O HOH A 109 11.785 10.465 9.698 1.00 21.34 O +HETATM 1800 O HOH A 110 29.146 -5.523 17.290 1.00 30.26 O +HETATM 1801 O HOH A 111 16.641 1.634 1.450 1.00 17.94 O +HETATM 1802 O HOH A 112 13.470 2.119 23.613 1.00 13.76 O +HETATM 1803 O HOH A 113 7.357 3.217 10.694 1.00 14.42 O +HETATM 1804 O HOH A 114 10.905 2.461 24.121 1.00 13.51 O +HETATM 1805 O HOH A 115 22.970 13.282 17.720 1.00 25.32 O +HETATM 1806 O HOH A 116 16.022 -11.668 1.510 1.00 21.91 O +HETATM 1807 O HOH A 117 14.598 0.848 -0.028 1.00 23.97 O +HETATM 1808 O HOH A 118 9.398 -9.637 1.918 1.00 18.93 O +HETATM 1809 O HOH A 119 11.440 7.866 8.879 1.00 22.36 O +HETATM 1810 O HOH A 120 25.432 7.793 10.576 1.00 25.12 O +HETATM 1811 O HOH A 121 14.065 -4.989 2.339 1.00 18.62 O +HETATM 1812 O HOH A 122 16.858 10.466 22.915 1.00 23.46 O +HETATM 1813 O HOH A 123 17.649 -4.876 3.372 1.00 13.92 O +HETATM 1814 O HOH A 124 4.528 -15.120 15.295 1.00 21.26 O +HETATM 1815 O HOH A 125 25.499 -4.317 17.247 1.00 27.08 O +HETATM 1816 O HOH A 126 10.927 9.232 26.609 1.00 24.38 O +HETATM 1817 O HOH A 127 23.939 -11.667 16.132 1.00 28.06 O +HETATM 1818 O HOH A 128 12.302 -17.895 11.757 1.00 26.61 O +HETATM 1819 O HOH A 129 -0.126 -14.460 14.435 1.00 28.19 O +HETATM 1820 O HOH A 130 24.816 -2.441 14.940 1.00 25.48 O +HETATM 1821 O HOH A 131 7.473 11.226 11.538 1.00 22.80 O +HETATM 1822 O HOH A 132 16.023 10.019 25.458 1.00 32.21 O +HETATM 1823 O HOH A 133 8.031 -13.258 20.428 1.00 21.34 O +HETATM 1824 O HOH A 134 26.586 5.561 13.201 1.00 22.19 O +HETATM 1825 O HOH A 135 8.925 -11.149 26.982 1.00 32.60 O +HETATM 1826 O HOH A 136 21.825 3.301 25.155 1.00 35.60 O +HETATM 1827 O HOH A 137 16.829 7.730 4.170 1.00 29.94 O +HETATM 1828 O HOH A 138 7.793 4.335 25.849 1.00 20.49 O +HETATM 1829 O HOH A 139 17.094 -0.647 -1.318 1.00 29.03 O +HETATM 1830 O HOH A 140 11.333 -13.620 24.521 1.00 29.16 O +HETATM 1831 O HOH A 141 30.514 -3.258 12.993 1.00 37.49 O +HETATM 1832 O HOH A 142 7.913 1.767 25.564 1.00 21.28 O +HETATM 1833 O HOH A 143 16.419 -1.204 28.044 1.00 23.32 O +HETATM 1834 O HOH A 144 1.227 -12.330 20.129 1.00 27.05 O +HETATM 1835 O HOH A 145 18.437 -15.302 13.448 1.00 26.04 O +HETATM 1836 O HOH A 146 18.675 -17.187 15.992 1.00 34.69 O +HETATM 1837 O HOH A 147 5.491 14.125 15.185 1.00 30.23 O +HETATM 1838 O HOH A 148 6.676 13.585 12.704 1.00 36.07 O +HETATM 1839 O HOH A 149 1.012 -6.850 25.294 1.00 27.72 O +HETATM 1840 O HOH A 150 16.510 16.419 17.620 1.00 36.66 O +HETATM 1841 O HOH A 151 7.218 -9.599 27.363 1.00 32.06 O +HETATM 1842 O HOH A 152 9.994 -16.930 17.721 1.00 34.10 O +HETATM 1843 O HOH A 153 26.173 6.732 8.512 1.00 37.24 O +HETATM 1844 O HOH A 154 26.196 -4.253 5.261 1.00 27.75 O +HETATM 1845 O HOH A 155 6.593 -9.681 3.340 1.00 37.08 O +HETATM 1846 O HOH A 156 18.342 -13.061 1.779 1.00 37.64 O +HETATM 1847 O HOH A 157 11.409 7.318 -1.716 1.00 39.19 O +HETATM 1848 O HOH A 158 23.235 -2.749 17.792 1.00 25.59 O +HETATM 1849 O HOH A 159 22.482 -7.736 24.264 1.00 41.98 O +HETATM 1850 O HOH A 160 6.891 15.365 22.328 1.00 26.67 O +HETATM 1851 O HOH A 161 18.199 -17.556 11.748 1.00 32.21 O +HETATM 1852 O HOH A 162 25.564 14.717 19.312 1.00 48.57 O +HETATM 1853 O HOH A 163 22.162 -12.073 11.061 1.00 32.27 O +HETATM 1854 O HOH A 164 22.586 -2.639 0.785 1.00 42.94 O +HETATM 1855 O HOH A 165 8.695 17.257 15.799 1.00 29.42 O +HETATM 1856 O HOH A 166 24.187 -9.980 19.749 1.00 34.74 O +HETATM 1857 O HOH A 167 18.533 10.650 2.053 1.00 47.66 O +HETATM 1858 O HOH A 168 18.946 -12.374 19.970 1.00 28.29 O +HETATM 1859 O HOH A 169 26.410 -11.423 17.331 1.00 32.37 O +HETATM 1860 O HOH A 170 12.130 -12.787 0.603 1.00 33.83 O +HETATM 1861 O HOH A 171 23.302 -8.774 26.079 1.00 35.65 O +HETATM 1862 O HOH A 172 26.995 -14.445 10.810 1.00 39.67 O +HETATM 1863 O HOH A 173 4.323 -9.026 6.848 1.00 37.09 O +HETATM 1864 O HOH A 174 26.328 6.178 19.856 1.00 56.90 O +HETATM 1865 O HOH A 175 24.938 14.586 10.254 1.00 33.41 O +HETATM 1866 O HOH A 176 18.388 -2.596 25.967 1.00 37.80 O +HETATM 1867 O HOH A 177 24.726 1.327 22.497 1.00 33.03 O +HETATM 1868 O HOH A 178 25.681 10.378 10.045 1.00 26.53 O +HETATM 1869 O HOH A 179 16.356 -17.535 9.783 1.00 39.22 O +HETATM 1870 O HOH A 180 15.397 11.912 9.210 1.00 34.97 O +HETATM 1871 O HOH A 181 24.182 -6.136 23.104 1.00 36.17 O +HETATM 1872 O HOH A 182 6.199 -10.661 5.381 1.00 27.28 O +HETATM 1873 O HOH A 183 22.044 8.397 21.485 1.00 34.98 O +HETATM 1874 O HOH A 184 27.355 -6.690 19.800 1.00 51.39 O +HETATM 1875 O HOH A 185 6.337 6.072 5.700 1.00 33.14 O +HETATM 1876 O HOH A 186 17.067 5.316 30.605 1.00 32.72 O +HETATM 1877 O HOH A 187 22.782 15.195 3.944 1.00 51.57 O +HETATM 1878 O HOH A 188 17.605 -17.028 21.210 1.00 50.58 O +HETATM 1879 O HOH A 189 25.110 8.761 8.519 1.00 34.90 O +HETATM 1880 O HOH A 190 5.219 -17.208 13.286 1.00 31.62 O +HETATM 1881 O HOH A 191 8.658 6.553 4.976 1.00 26.16 O +HETATM 1882 O HOH A 192 3.300 11.471 12.009 1.00 43.82 O +HETATM 1883 O HOH A 193 22.617 1.795 2.322 1.00 31.35 O +HETATM 1884 O HOH A 194 20.736 -0.004 0.177 1.00 32.81 O +HETATM 1885 O HOH A 195 18.317 -0.750 29.994 1.00 30.10 O +HETATM 1886 O HOH A 196 7.781 -15.410 19.345 1.00 41.93 O +HETATM 1887 O HOH A 197 0.642 -12.328 22.884 1.00 43.39 O +HETATM 1888 O HOH A 198 19.047 -9.587 -1.896 1.00 37.45 O +HETATM 1889 O HOH A 199 2.196 -14.865 15.916 1.00 36.07 O +HETATM 1890 O HOH A 200 12.371 14.893 8.456 1.00 37.47 O +HETATM 1891 O HOH A 201 21.920 19.158 1.042 1.00 67.94 O +HETATM 1892 O HOH A 202 19.473 2.225 0.564 1.00 42.41 O +HETATM 1893 O HOH A 203 27.002 -4.844 21.106 1.00 44.22 O +HETATM 1894 O HOH A 204 9.209 7.360 7.054 1.00 48.36 O +HETATM 1895 O HOH A 205 28.002 -1.779 14.669 1.00 32.19 O +HETATM 1896 O HOH A 206 2.252 -14.870 18.211 1.00 51.86 O +HETATM 1897 O HOH A 207 5.323 5.369 24.849 1.00 40.47 O +HETATM 1898 O HOH A 208 19.442 1.105 29.235 1.00 45.33 O +HETATM 1899 O HOH A 209 12.468 17.999 16.062 1.00 35.62 O +HETATM 1900 O HOH A 210 16.538 -3.462 28.438 1.00 42.37 O +HETATM 1901 O HOH A 211 5.658 -16.582 17.230 1.00 44.42 O +HETATM 1902 O HOH A 212 20.848 -12.390 22.057 1.00 40.74 O +HETATM 1903 O HOH A 213 1.214 -10.120 23.373 1.00 42.37 O +HETATM 1904 O HOH A 214 1.783 -5.783 6.289 1.00 43.15 O +HETATM 1905 O HOH A 215 13.901 13.296 7.224 1.00 41.22 O +HETATM 1906 O HOH A 216 3.683 -1.232 1.623 1.00 48.07 O +HETATM 1907 O HOH A 217 25.657 -7.649 27.614 1.00 38.35 O +HETATM 1908 O HOH A 218 14.661 18.867 16.406 1.00 54.17 O +HETATM 1909 O HOH A 219 20.835 -11.936 18.736 1.00 36.91 O +HETATM 1910 O HOH A 220 20.062 -2.671 29.328 1.00 36.02 O +HETATM 1911 O HOH A 221 15.064 -11.036 -0.934 1.00 39.14 O +HETATM 1912 O HOH A 222 12.053 9.600 4.389 1.00 67.32 O +HETATM 1913 O HOH A 223 28.770 1.317 3.497 1.00 44.32 O +HETATM 1914 O HOH A 224 7.783 -14.419 8.073 1.00 42.75 O +HETATM 1915 O HOH A 225 21.383 -14.261 12.664 1.00 40.57 O +HETATM 1916 O HOH A 226 25.345 7.151 2.063 1.00124.01 O +HETATM 1917 O HOH A 227 4.684 10.158 8.858 1.00 52.86 O +HETATM 1918 O HOH A 228 10.156 17.735 13.107 1.00 67.37 O +HETATM 1919 O HOH A 229 11.270 -7.735 -0.606 1.00 55.36 O +HETATM 1920 O HOH A 230 0.941 11.008 19.161 1.00 35.56 O +HETATM 1921 O HOH A 231 21.582 6.003 3.495 1.00 41.09 O +HETATM 1922 O HOH A 232 9.341 15.182 9.828 1.00 34.64 O +HETATM 1923 O HOH A 233 26.930 13.418 17.998 1.00 46.07 O +HETATM 1924 O HOH A 234 25.213 3.778 2.144 1.00 54.34 O +HETATM 1925 O HOH A 235 3.807 6.588 6.309 1.00 51.64 O +HETATM 1926 O HOH A 236 23.036 -9.986 23.596 1.00 88.50 O +HETATM 1927 O HOH A 237 16.135 -20.467 19.737 1.00 78.28 O +HETATM 1928 O HOH A 238 8.820 -18.470 10.186 1.00 69.46 O +HETATM 1929 O HOH A 239 22.209 18.020 10.412 1.00 43.73 O +HETATM 1930 O HOH A 240 24.880 6.509 5.977 1.00 43.63 O +HETATM 1931 O HOH A 241 29.238 -3.972 10.435 1.00 51.66 O +HETATM 1932 O HOH A 242 20.978 -17.018 10.112 1.00 39.18 O +HETATM 1933 O HOH A 243 28.712 11.253 19.610 1.00 41.00 O +HETATM 1934 O HOH A 244 14.977 -10.677 28.217 1.00 49.29 O +HETATM 1935 O HOH A 245 25.806 9.006 5.765 1.00 59.91 O +HETATM 1936 O HOH A 246 11.215 -11.423 26.882 1.00 47.08 O +HETATM 1937 O HOH A 247 22.432 -11.070 26.949 1.00 65.57 O +HETATM 1938 O HOH A 248 25.100 -12.085 7.422 1.00 42.51 O +HETATM 1939 O HOH A 249 26.488 5.142 6.881 1.00120.85 O +HETATM 1940 O HOH A 250 4.953 -12.662 4.731 1.00 50.20 O +HETATM 1941 O HOH A 251 19.295 -15.865 20.175 1.00 69.40 O +HETATM 1942 O HOH A 252 4.418 4.080 8.506 1.00 40.55 O +HETATM 1943 O HOH A 253 27.218 6.474 11.145 1.00 45.18 O +HETATM 1944 O HOH A 254 21.453 15.594 16.477 1.00 49.90 O +HETATM 1945 O HOH A 255 28.839 -3.576 19.339 1.00 49.47 O +HETATM 1946 O HOH A 256 9.425 9.004 3.227 1.00 37.71 O +HETATM 1947 O HOH A 257 27.749 6.577 3.647 1.00 67.49 O +HETATM 1948 O HOH A 258 22.246 11.173 21.187 1.00 55.63 O +HETATM 1949 O HOH A 259 19.297 -14.789 3.611 1.00 52.34 O +HETATM 1950 O HOH A 260 15.420 9.407 2.900 1.00 72.14 O +HETATM 1951 O HOH A 261 16.257 -22.781 17.463 1.00 48.22 O +HETATM 1952 O HOH A 262 21.000 16.342 13.682 1.00 44.98 O +HETATM 1953 O HOH A 263 17.518 -16.450 6.562 1.00 84.92 O +HETATM 1954 O HOH A 264 8.184 8.823 0.832 1.00 62.36 O +HETATM 1955 O HOH A 265 25.513 -0.595 2.319 1.00 38.50 O +HETATM 1956 O HOH A 266 17.426 13.043 20.353 1.00 70.21 O +HETATM 1957 O HOH A 267 28.221 9.692 10.216 1.00 44.64 O +HETATM 1958 O HOH A 268 28.549 2.553 7.689 1.00 59.46 O +HETATM 1959 O HOH A 269 7.889 -13.992 24.346 1.00 69.50 O +HETATM 1960 O HOH A 270 8.366 10.449 6.680 1.00 54.99 O +HETATM 1961 O HOH A 271 21.488 0.843 27.381 1.00 57.87 O +HETATM 1962 O HOH A 272 27.219 -10.060 -1.005 1.00 47.86 O +HETATM 1963 O HOH A 273 5.767 8.564 2.949 1.00 60.92 O +HETATM 1964 O HOH A 274 18.749 6.577 1.103 1.00 44.68 O +HETATM 1965 O HOH A 275 28.220 1.533 13.837 1.00 63.40 O +HETATM 1966 O HOH A 276 6.569 -15.098 22.694 1.00 53.52 O +HETATM 1967 O HOH A 277 23.972 17.689 15.641 1.00 52.27 O +HETATM 1968 O HOH A 278 4.155 -14.843 21.328 1.00 57.53 O +HETATM 1969 O HOH A 279 18.711 9.119 28.420 1.00 64.14 O +HETATM 1970 O HOH A 280 20.477 12.639 0.539 1.00 68.09 O +HETATM 1971 O HOH A 281 25.545 0.024 15.404 1.00 64.15 O +HETATM 1972 O HOH A 282 22.590 -17.333 12.601 1.00 53.08 O +HETATM 1973 O HOH A 283 19.995 -6.071 26.772 1.00 67.17 O +HETATM 1974 O HOH A 284 24.357 19.261 3.153 1.00 51.87 O +HETATM 1975 O HOH A 285 24.465 1.083 18.271 1.00 48.10 O +HETATM 1976 O HOH A 286 14.826 12.778 5.185 1.00 58.55 O +HETATM 1977 O HOH A 287 3.647 16.037 14.395 1.00 57.96 O +HETATM 1978 O HOH A 288 24.895 -15.542 10.501 1.00 75.96 O +HETATM 1979 O HOH A 289 30.071 0.661 16.513 1.00 52.89 O +HETATM 1980 O HOH A 290 2.190 18.638 18.281 1.00 57.37 O +HETATM 1981 O HOH A 291 30.997 3.026 18.735 1.00 71.70 O +HETATM 1982 O HOH A 292 14.349 11.578 1.071 1.00144.81 O +HETATM 1983 O HOH A 293 25.361 -13.814 13.179 1.00 54.45 O +HETATM 1984 O HOH A 294 5.400 17.381 17.339 1.00 82.18 O +HETATM 1985 O HOH A 295 2.948 2.094 7.032 1.00 40.39 O +HETATM 1986 O HOH A 296 22.569 12.945 3.525 1.00 79.15 O +HETATM 1987 O HOH B 105 59.856 18.050 41.375 1.00 14.72 O +HETATM 1988 O HOH B 106 65.705 27.860 38.370 1.00 12.43 O +HETATM 1989 O HOH B 107 61.166 36.710 41.139 1.00 13.47 O +HETATM 1990 O HOH B 108 44.690 22.529 45.756 1.00 13.89 O +HETATM 1991 O HOH B 109 60.558 30.352 31.984 1.00 10.92 O +HETATM 1992 O HOH B 110 43.322 15.896 35.985 1.00 21.82 O +HETATM 1993 O HOH B 111 48.447 28.285 45.577 1.00 20.64 O +HETATM 1994 O HOH B 112 48.877 14.004 42.122 1.00 20.27 O +HETATM 1995 O HOH B 113 52.480 33.653 35.107 1.00 12.97 O +HETATM 1996 O HOH B 114 70.638 38.754 49.822 1.00 24.05 O +HETATM 1997 O HOH B 115 46.196 28.547 41.695 1.00 13.64 O +HETATM 1998 O HOH B 116 52.100 17.984 30.168 1.00 17.89 O +HETATM 1999 O HOH B 117 46.221 23.808 30.944 1.00 14.61 O +HETATM 2000 O HOH B 118 53.809 33.591 32.809 1.00 16.80 O +HETATM 2001 O HOH B 119 60.214 21.121 55.147 1.00 18.26 O +HETATM 2002 O HOH B 120 50.146 27.877 47.698 1.00 19.09 O +HETATM 2003 O HOH B 121 62.127 37.852 38.606 1.00 17.06 O +HETATM 2004 O HOH B 122 74.306 40.173 51.202 1.00 29.06 O +HETATM 2005 O HOH B 123 55.191 34.585 30.033 1.00 27.50 O +HETATM 2006 O HOH B 124 40.824 26.422 33.885 1.00 20.17 O +HETATM 2007 O HOH B 125 65.390 44.258 40.669 1.00 19.86 O +HETATM 2008 O HOH B 126 47.105 28.815 30.445 1.00 22.50 O +HETATM 2009 O HOH B 127 56.094 13.494 30.260 1.00 15.49 O +HETATM 2010 O HOH B 128 66.803 34.639 43.342 1.00 26.36 O +HETATM 2011 O HOH B 129 46.187 27.113 46.627 1.00 20.08 O +HETATM 2012 O HOH B 130 54.835 40.894 39.532 1.00 25.70 O +HETATM 2013 O HOH B 131 59.842 12.177 48.161 1.00 27.06 O +HETATM 2014 O HOH B 132 50.777 30.523 48.572 1.00 19.67 O +HETATM 2015 O HOH B 133 68.239 35.505 39.329 1.00 20.84 O +HETATM 2016 O HOH B 134 46.335 31.205 37.824 1.00 29.99 O +HETATM 2017 O HOH B 135 49.738 32.743 47.022 1.00 23.57 O +HETATM 2018 O HOH B 136 47.064 20.328 29.654 1.00 37.96 O +HETATM 2019 O HOH B 137 70.622 40.574 34.563 1.00 24.54 O +HETATM 2020 O HOH B 138 66.478 31.821 43.166 1.00 23.54 O +HETATM 2021 O HOH B 139 52.996 32.485 30.556 1.00 21.69 O +HETATM 2022 O HOH B 140 61.188 43.915 43.062 1.00 27.77 O +HETATM 2023 O HOH B 141 44.744 26.273 31.578 1.00 22.94 O +HETATM 2024 O HOH B 142 60.137 25.572 26.578 1.00 13.68 O +HETATM 2025 O HOH B 143 50.155 34.001 29.693 1.00 32.88 O +HETATM 2026 O HOH B 144 55.541 27.958 23.595 1.00 27.05 O +HETATM 2027 O HOH B 145 49.230 24.218 27.225 1.00 21.43 O +HETATM 2028 O HOH B 146 54.054 33.939 52.278 1.00 28.12 O +HETATM 2029 O HOH B 147 50.664 19.000 27.234 1.00 22.37 O +HETATM 2030 O HOH B 148 69.549 37.750 35.786 1.00 26.13 O +HETATM 2031 O HOH B 149 51.509 23.863 53.527 1.00 21.93 O +HETATM 2032 O HOH B 150 48.632 29.488 50.442 1.00 28.77 O +HETATM 2033 O HOH B 151 71.161 44.675 53.961 1.00 32.70 O +HETATM 2034 O HOH B 152 47.808 33.058 29.842 1.00 22.34 O +HETATM 2035 O HOH B 153 65.628 24.283 51.083 1.00 32.42 O +HETATM 2036 O HOH B 154 52.039 39.477 44.231 1.00 24.89 O +HETATM 2037 O HOH B 155 46.079 33.398 34.461 1.00 44.03 O +HETATM 2038 O HOH B 156 52.381 10.269 37.839 1.00 30.27 O +HETATM 2039 O HOH B 157 46.222 32.651 31.923 1.00 23.40 O +HETATM 2040 O HOH B 158 63.166 18.176 48.651 1.00 32.25 O +HETATM 2041 O HOH B 159 63.237 14.534 26.150 1.00 28.72 O +HETATM 2042 O HOH B 160 68.150 39.510 36.242 1.00 27.85 O +HETATM 2043 O HOH B 161 70.039 30.933 45.900 1.00 38.55 O +HETATM 2044 O HOH B 162 52.034 28.681 28.073 1.00 25.17 O +HETATM 2045 O HOH B 163 49.850 11.060 42.496 1.00 36.52 O +HETATM 2046 O HOH B 164 59.940 17.708 54.537 1.00 39.48 O +HETATM 2047 O HOH B 165 72.390 23.096 41.987 1.00 38.27 O +HETATM 2048 O HOH B 166 49.247 40.081 33.051 1.00 37.37 O +HETATM 2049 O HOH B 167 49.721 36.988 47.833 1.00 24.79 O +HETATM 2050 O HOH B 168 52.014 30.680 55.475 1.00 24.62 O +HETATM 2051 O HOH B 169 50.955 13.585 32.277 1.00 22.76 O +HETATM 2052 O HOH B 170 74.282 37.894 51.657 1.00 33.53 O +HETATM 2053 O HOH B 171 43.121 29.375 31.648 1.00 44.38 O +HETATM 2054 O HOH B 172 46.115 35.122 28.281 1.00 28.75 O +HETATM 2055 O HOH B 173 52.342 40.360 38.107 1.00 39.19 O +HETATM 2056 O HOH B 174 63.131 43.340 32.304 1.00 35.38 O +HETATM 2057 O HOH B 175 56.917 34.305 52.865 1.00 34.11 O +HETATM 2058 O HOH B 176 55.600 41.771 47.571 1.00 43.80 O +HETATM 2059 O HOH B 177 48.430 30.671 29.010 1.00 27.70 O +HETATM 2060 O HOH B 178 48.908 38.426 41.834 1.00 34.35 O +HETATM 2061 O HOH B 179 62.005 12.002 35.388 1.00 42.83 O +HETATM 2062 O HOH B 180 70.585 22.558 37.629 1.00 32.22 O +HETATM 2063 O HOH B 181 54.931 9.475 36.824 1.00 30.23 O +HETATM 2064 O HOH B 182 49.136 15.476 46.470 1.00 43.75 O +HETATM 2065 O HOH B 183 59.808 39.776 53.575 1.00 41.14 O +HETATM 2066 O HOH B 184 58.749 35.779 54.457 1.00 48.59 O +HETATM 2067 O HOH B 185 52.031 15.335 28.267 1.00 33.88 O +HETATM 2068 O HOH B 186 51.030 21.425 55.926 1.00 54.81 O +HETATM 2069 O HOH B 187 65.642 29.708 53.523 1.00 35.88 O +HETATM 2070 O HOH B 188 66.336 35.985 46.337 1.00 36.71 O +HETATM 2071 O HOH B 189 49.413 27.094 27.256 1.00 36.31 O +HETATM 2072 O HOH B 190 47.479 30.891 46.519 1.00 41.99 O +HETATM 2073 O HOH B 191 68.817 27.415 35.517 1.00 47.81 O +HETATM 2074 O HOH B 192 69.796 17.663 36.961 1.00 81.41 O +HETATM 2075 O HOH B 193 68.930 30.769 41.533 1.00 40.68 O +HETATM 2076 O HOH B 194 75.213 36.933 48.972 1.00 31.86 O +HETATM 2077 O HOH B 195 67.989 30.203 55.289 1.00 82.00 O +HETATM 2078 O HOH B 196 53.526 41.951 45.453 1.00 34.38 O +HETATM 2079 O HOH B 197 55.692 36.443 26.990 1.00 51.55 O +HETATM 2080 O HOH B 198 64.562 43.312 47.970 1.00 45.82 O +HETATM 2081 O HOH B 199 58.173 21.967 26.494 1.00 34.73 O +HETATM 2082 O HOH B 200 70.879 26.004 36.883 1.00 55.24 O +HETATM 2083 O HOH B 201 43.443 24.347 50.499 1.00 39.73 O +HETATM 2084 O HOH B 202 44.149 27.441 51.084 1.00 48.64 O +HETATM 2085 O HOH B 203 55.074 16.279 52.300 1.00 32.67 O +HETATM 2086 O HOH B 204 47.287 40.334 34.864 1.00 42.30 O +HETATM 2087 O HOH B 205 53.338 15.202 49.276 1.00 32.40 O +HETATM 2088 O HOH B 206 47.064 14.272 29.938 1.00 33.51 O +HETATM 2089 O HOH B 207 49.909 17.520 28.823 1.00 36.53 O +HETATM 2090 O HOH B 208 70.014 20.765 36.249 1.00 53.06 O +HETATM 2091 O HOH B 209 44.781 23.983 52.960 1.00 63.03 O +HETATM 2092 O HOH B 210 50.663 31.018 28.614 1.00 42.40 O +HETATM 2093 O HOH B 211 68.479 36.384 28.867 1.00 32.67 O +HETATM 2094 O HOH B 212 69.913 33.657 40.381 1.00 40.07 O +HETATM 2095 O HOH B 213 49.099 8.845 40.183 1.00 48.40 O +HETATM 2096 O HOH B 214 48.877 15.465 28.880 1.00104.90 O +HETATM 2097 O HOH B 215 50.529 16.409 30.736 1.00 46.35 O +HETATM 2098 O HOH B 216 43.094 21.244 50.015 1.00 45.25 O +HETATM 2099 O HOH B 217 54.661 42.770 43.297 1.00 42.32 O +HETATM 2100 O HOH B 218 45.851 28.952 48.753 1.00 57.74 O +HETATM 2101 O HOH B 219 66.953 39.820 28.480 1.00 48.36 O +HETATM 2102 O HOH B 220 50.896 14.228 48.303 1.00 48.99 O +HETATM 2103 O HOH B 221 62.044 9.099 44.647 1.00 46.77 O +HETATM 2104 O HOH B 222 51.024 41.065 40.574 1.00 47.97 O +HETATM 2105 O HOH B 223 46.117 34.349 44.537 1.00 41.41 O +HETATM 2106 O HOH B 224 66.990 30.999 50.244 1.00 42.84 O +HETATM 2107 O HOH B 225 69.195 15.743 43.493 1.00 44.65 O +HETATM 2108 O HOH B 226 69.317 17.367 49.394 1.00 51.38 O +HETATM 2109 O HOH B 227 52.064 33.066 55.562 1.00 53.58 O +HETATM 2110 O HOH B 228 69.366 34.240 48.684 1.00 48.42 O +HETATM 2111 O HOH B 229 51.508 42.267 35.332 1.00 49.31 O +HETATM 2112 O HOH B 230 55.700 10.604 31.895 1.00 38.95 O +HETATM 2113 O HOH B 231 59.380 11.048 37.642 1.00 42.08 O +HETATM 2114 O HOH B 232 50.674 21.156 50.177 1.00 44.15 O +HETATM 2115 O HOH B 233 71.163 35.930 27.086 1.00 62.96 O +HETATM 2116 O HOH B 234 53.696 13.362 28.942 1.00 48.12 O +HETATM 2117 O HOH B 235 53.769 14.805 53.446 1.00 72.80 O +HETATM 2118 O HOH B 236 47.035 24.867 53.889 1.00 60.53 O +HETATM 2119 O HOH B 237 65.031 8.789 39.181 1.00 50.92 O +HETATM 2120 O HOH B 238 71.051 32.758 38.166 1.00 70.36 O +HETATM 2121 O HOH B 239 72.635 36.090 35.747 1.00 52.11 O +HETATM 2122 O HOH B 240 45.505 24.851 47.133 1.00 26.23 O +HETATM 2123 O HOH B 241 50.451 38.036 26.632 1.00111.18 O +HETATM 2124 O HOH B 242 54.379 10.754 26.938 1.00 53.40 O +HETATM 2125 O HOH B 243 49.303 12.425 30.972 1.00 40.12 O +HETATM 2126 O HOH B 244 70.523 35.883 34.861 1.00 64.47 O +HETATM 2127 O HOH B 245 69.474 17.689 41.908 1.00 74.23 O +HETATM 2128 O HOH B 246 68.784 36.737 25.572 1.00 48.94 O +HETATM 2129 O HOH B 247 66.444 13.041 44.917 1.00 35.78 O +HETATM 2130 O HOH B 248 69.487 31.291 51.911 1.00 39.43 O +HETATM 2131 O HOH B 249 44.812 30.177 30.268 1.00 66.74 O +HETATM 2132 O HOH B 250 51.102 41.403 29.661 1.00 64.03 O +HETATM 2133 O HOH B 251 66.428 19.388 53.393 1.00 53.05 O +HETATM 2134 O HOH B 252 56.619 41.391 55.858 1.00 60.24 O +HETATM 2135 O HOH B 253 70.630 31.486 48.125 1.00 72.23 O +HETATM 2136 O HOH B 254 65.061 14.424 48.375 1.00 46.87 O +HETATM 2137 O HOH B 255 67.105 42.755 49.350 1.00 66.02 O +HETATM 2138 O HOH B 256 50.401 32.117 53.254 1.00 62.36 O +HETATM 2139 O HOH B 257 46.329 9.800 37.706 1.00 64.65 O +HETATM 2140 O HOH B 258 73.148 23.065 39.818 1.00 66.59 O +HETATM 2141 O HOH B 259 47.955 22.084 51.863 1.00 46.61 O +HETATM 2142 O HOH B 260 63.093 13.915 52.740 1.00 51.35 O +HETATM 2143 O HOH B 261 49.127 31.626 57.034 1.00 93.34 O +HETATM 2144 O HOH B 262 68.673 25.503 54.870 1.00 62.33 O +HETATM 2145 O HOH B 263 46.644 31.037 57.507 1.00 46.38 O +HETATM 2146 O HOH B 264 53.056 41.593 51.136 1.00 39.46 O +HETATM 2147 O HOH B 265 45.945 41.507 39.955 1.00 54.93 O +HETATM 2148 O HOH B 266 50.967 42.236 50.234 1.00 51.61 O +HETATM 2149 O HOH B 267 72.193 37.253 54.066 1.00 77.45 O +HETATM 2150 O HOH B 268 58.384 18.881 26.903 1.00 85.32 O +HETATM 2151 O HOH B 269 61.195 11.247 51.753 1.00 62.68 O +HETATM 2152 O HOH B 270 57.611 9.273 33.470 1.00 45.52 O +HETATM 2153 O HOH B 271 47.521 33.808 53.750 1.00 49.52 O +HETATM 2154 O HOH C 287 9.550 -5.912 9.350 1.00 16.61 O +HETATM 2155 O HOH C 288 10.528 11.395 19.560 1.00 18.14 O +HETATM 2156 O HOH C 289 2.229 3.785 12.567 1.00 27.81 O +HETATM 2157 O HOH C 290 7.233 8.805 29.401 1.00 23.87 O +HETATM 2158 O HOH C 291 0.007 -6.163 10.250 1.00 31.83 O +HETATM 2159 O HOH C 292 -2.147 -9.700 11.088 1.00 29.03 O +HETATM 2160 O HOH C 293 7.358 12.947 24.242 1.00 36.36 O +HETATM 2161 O HOH C 294 3.025 3.226 17.279 1.00 25.64 O +HETATM 2162 O HOH C 295 6.176 -4.426 3.327 1.00 41.17 O +HETATM 2163 O HOH C 296 2.136 -3.902 8.055 1.00 30.24 O +HETATM 2164 O HOH C 297 2.059 9.419 21.781 1.00 25.28 O +HETATM 2165 O HOH C 298 10.350 13.466 21.910 1.00 32.76 O +HETATM 2166 O HOH C 299 2.573 9.909 25.992 1.00 39.20 O +HETATM 2167 O HOH C 300 0.775 5.695 15.708 1.00 27.41 O +HETATM 2168 O HOH C 301 -1.875 -13.033 10.386 1.00 51.54 O +HETATM 2169 O HOH C 302 11.739 10.821 25.073 1.00 46.26 O +HETATM 2170 O HOH C 303 0.702 6.828 9.779 1.00 39.45 O +HETATM 2171 O HOH C 304 7.651 10.745 28.029 1.00 37.47 O +HETATM 2172 O HOH C 305 4.140 -11.284 7.824 1.00 43.08 O +HETATM 2173 O HOH C 306 12.871 12.816 25.066 1.00 85.32 O +HETATM 2174 O HOH C 307 4.061 -1.655 3.984 1.00 35.67 O +HETATM 2175 O HOH C 308 2.083 -13.372 7.542 1.00 60.32 O +HETATM 2176 O HOH C 309 1.555 4.595 10.458 1.00 36.27 O +HETATM 2177 O HOH C 310 8.765 14.609 26.435 1.00 67.66 O +HETATM 2178 O HOH C 311 3.322 11.397 23.933 1.00 55.52 O +HETATM 2179 O HOH C 312 -0.392 -13.753 8.136 1.00 87.55 O +HETATM 2180 O HOH C 313 15.277 13.923 24.357 1.00 57.81 O +HETATM 2181 O HOH D 287 61.469 19.306 39.376 1.00 18.71 O +HETATM 2182 O HOH D 288 61.160 39.281 36.553 1.00 17.96 O +HETATM 2183 O HOH D 289 60.224 42.636 31.616 1.00 30.17 O +HETATM 2184 O HOH D 290 64.536 29.514 31.252 1.00 24.57 O +HETATM 2185 O HOH D 291 67.653 21.331 34.001 1.00 25.90 O +HETATM 2186 O HOH D 292 66.651 17.860 42.407 1.00 36.87 O +HETATM 2187 O HOH D 293 60.518 42.289 35.383 1.00 23.91 O +HETATM 2188 O HOH D 294 67.707 27.505 33.352 1.00 41.28 O +HETATM 2189 O HOH D 295 67.908 23.929 32.483 1.00 24.72 O +HETATM 2190 O HOH D 296 67.053 17.760 34.709 1.00 37.13 O +HETATM 2191 O HOH D 297 72.079 32.954 34.185 1.00 36.32 O +HETATM 2192 O HOH D 298 66.764 32.167 30.121 1.00 42.12 O +HETATM 2193 O HOH D 299 74.037 34.030 33.653 1.00 41.81 O +HETATM 2194 O HOH D 300 65.078 16.444 30.050 1.00 67.33 O +HETATM 2195 O HOH D 301 66.012 35.488 28.287 1.00 51.59 O +HETATM 2196 O HOH D 302 64.990 37.464 27.489 1.00 63.31 O +HETATM 2197 O HOH D 303 61.896 40.369 28.886 1.00 42.61 O +HETATM 2198 O HOH D 304 64.036 11.096 31.641 1.00 55.34 O +HETATM 2199 O HOH D 305 64.002 42.031 29.516 1.00 66.68 O +HETATM 2200 O HOH D 306 66.572 11.147 31.048 1.00 54.19 O +HETATM 2201 O HOH D 307 65.261 8.704 31.022 1.00 47.87 O +HETATM 2202 O HOH D 308 67.730 13.156 31.242 1.00 59.86 O +HETATM 2203 O HOH D 309 65.570 11.219 28.981 1.00118.64 O +HETATM 2204 O HOH D 310 73.883 32.971 31.085 1.00 50.73 O +HETATM 2205 O HOH D 311 63.964 13.440 37.914 1.00 48.80 O +HETATM 2206 O HOH D 312 70.691 32.332 31.203 1.00 42.36 O +HETATM 2207 O HOH D 313 69.873 11.733 33.033 1.00 53.25 O +CONECT 1646 1652 +CONECT 1652 1646 1653 +CONECT 1653 1652 1654 1656 +CONECT 1654 1653 1655 1668 +CONECT 1655 1654 +CONECT 1656 1653 1657 +CONECT 1657 1656 1658 1659 +CONECT 1658 1657 1660 +CONECT 1659 1657 1661 +CONECT 1660 1658 1662 +CONECT 1661 1659 1662 +CONECT 1662 1660 1661 1663 +CONECT 1663 1662 1664 +CONECT 1664 1663 1665 1666 1667 +CONECT 1665 1664 +CONECT 1666 1664 +CONECT 1667 1664 +CONECT 1668 1654 +CONECT 1732 1738 +CONECT 1738 1732 1739 +CONECT 1739 1738 1740 1742 +CONECT 1740 1739 1741 1754 +CONECT 1741 1740 +CONECT 1742 1739 1743 +CONECT 1743 1742 1744 1745 +CONECT 1744 1743 1746 +CONECT 1745 1743 1747 +CONECT 1746 1744 1748 +CONECT 1747 1745 1748 +CONECT 1748 1746 1747 1749 +CONECT 1749 1748 1750 +CONECT 1750 1749 1751 1752 1753 +CONECT 1751 1750 +CONECT 1752 1750 +CONECT 1753 1750 +CONECT 1754 1740 +MASTER 244 0 2 4 10 0 0 6 2203 4 36 18 +END