Mercurial > repos > jjohnson > opencontact
changeset 0:d163dd7e68b5 draft
planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
| author | jjohnson |
|---|---|
| date | Thu, 16 May 2019 11:27:07 -0400 |
| parents | |
| children | 3de332f0a26f |
| files | OpenContact.xml test-data/1AIK.pdb test-data/coarseab.pdb test-data/coarsedata.txt test-data/fineab.pdb test-data/finedata.txt |
| diffstat | 6 files changed, 12849 insertions(+), 0 deletions(-) [+] |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/OpenContact.xml Thu May 16 11:27:07 2019 -0400 @@ -0,0 +1,144 @@ +<tool id="OpenContact" name="Open Contact" version="1.1.0" profile="16.01"> + <description>contact mapping for protein-protein interaction</description> + <requirements> + <requirement type="package" version="1.1">opencontactcli</requirement> + </requirements> + <command detect_errors="exit_code"><![CDATA[ + OpenContactCLI --protA '$proteinA' --protA_chain $proteinA_chain + --protB '$proteinB' --protB_chain $proteinB_chain + #if str($output_choices).find('_tsv') > 0: + --tabular + #end if + ]]></command> + <inputs> + <!-- Use until PQR datatype available --> + <param name="proteinA" type="data" format="pdb" label="Protein A"/> + <!-- --> + <!-- Use when PQR datatype available + <param name="proteinA" type="data" format="pdb,pqr" label="Protein A"/> + --> + <!-- Use until PDB chain_ids metadata --> + <param name="proteinA_chain" type="text" value="" label="Protein A chain" > + <validator type="regex" message="">[A-Z]</validator> + </param> + <!-- --> + <!-- Use when PDB chain_ids metadata available + <param name="proteinA_chain" type="select" label="Protein A chain" > + <options> + <filter type="data_meta" ref="proteinA" key="chain_ids" /> + </options> + </param> + --> + <!-- Use until PQR datatype available --> + <param name="proteinB" type="data" format="pdb" label="Protein B" + help="This can be the same as Protein A for intra-protein interactions"/> + <!-- --> + <!-- Use when PQR datatype available --> + <param name="proteinB" type="data" format="pdb,pqr" label="Protein B" + help="This can be the same as Protein A for intra-protein interactions"/> + <!-- --> + <!-- Use until PDB chain_ids metadata --> + <param name="proteinB_chain" type="text" value="" label="Protein B chain" > + <validator type="regex" message="">[A-Z]</validator> + </param> + <!-- --> + <!-- Use when PDB chain_ids metadata available + <param name="proteinB_chain" type="select" label="Protein B chain" > + <options> + <filter type="data_meta" ref="proteinB" key="chain_ids" /> + </options> + </param> + --> + <param name="output_choices" type="select" multiple="true" display="checkboxes" label="Select Outputs" > + <option value="fineab_pdb" selected="true">fineab.pdb</option> + <option value="coarseab_pdb" selected="true">coarseab.pdb</option> + <option value="finedata_tsv" selected="true">finedata.tsv</option> + <option value="coarsedata_tsv" selected="true">coarsedata.tsv</option> + <option value="finedata_txt">finedata.txt</option> + <option value="coarsedata_txt">coarsedata.txt</option> + </param> + </inputs> + <outputs> + <data name="coarsedata" format="txt" label="${tool.name} on ${on_string} coarsedata.txt" + from_work_dir="coarsedata.txt"> + <filter>'coarsedata_txt' in output_choices</filter> + </data> + <data name="finedata" format="txt" label="${tool.name} on ${on_string} finedata.txt" + from_work_dir="finedata.txt"> + <filter>'finedata_txt' in output_choices</filter> + </data> + <data name="coarsedata" format="tabular" label="${tool.name} on ${on_string} coarsedata.tsv" + from_work_dir="coarsedata.tsv"> + <filter>'coarsedata_tsv' in output_choices</filter> + <actions> + <action name="column_names" type="metadata" default="ResA,ResNumA,AtomA,AtomNumA,ResB,ResNumB,AtomB,AtomNumB,RRS,UCOUL,UL" /> + </actions> + </data> + <data name="finedata" format="tabular" label="${tool.name} on ${on_string} finedata.tsv" + from_work_dir="finedata.tsv"> + <filter>'finedata_tsv' in output_choices</filter> + <actions> + <action name="column_names" type="metadata" default="ResA,ResNumA,AtomA,AtomNumA,ResB,ResNumB,AtomB,AtomNumB,RRS,UCOUL,UL" /> + </actions> + </data> + <data name="coarseab" format="pdb" label="${tool.name} on ${on_string} coarseab.pdb" + from_work_dir="coarseab.pdb"> + <filter>'coarseab_pdb' in output_choices</filter> + </data> + <data name="fineab" format="pdb" label="${tool.name} on ${on_string} fineab.pdb" + from_work_dir="fineab.pdb"> + <filter>'fineab_pdb' in output_choices</filter> + </data> + </outputs> + <tests> + <test> + <param name="proteinA" ftype="pdb" value="1AIK.pdb"/> + <param name="proteinA_chain" value="C"/> + <param name="proteinB" ftype="pdb" value="1AIK.pdb"/> + <param name="proteinB_chain" value="N"/> + <output name="coarseab" file="coarseab.pdb"/> + <output name="fineab" file="fineab.pdb"/> + </test> + </tests> + <help><![CDATA[ +**OpenContact** +The OpenContact algorithm provides screened or parsed protein interaction files based on specified criteria for interatomic separation distances and interatomic potential interactions. + +**OpenContactCLI** is a python script that executes that OpenContact algorithm. + +**Inputs** +:: + + Two PDB files and the chain ID of each PDB file that you wish to ananlyze. + + +**Outputs** +:: + + coarseab.pdb + fineab.pdb + coarsedata.tsv + finedata.tsv + + +OpenContactCLI +usage: OpenContactCLI [-h] -a PROTA -b PROTB -A PROTA_CHAIN -B PROTB_CHAIN [-t] + +arguments: + + -h, --help show this help message and exit + -a PROTA, --protA PROTA + Path to proteinA.pdb + -b PROTB, --protB PROTB + Path to proteinB.pdb + -A PROTA_CHAIN, --protA_chain PROTA_CHAIN + proteinA chain + -B PROTB_CHAIN, --protB_chain PROTB_CHAIN + proteinB chain + -t, --tabular Create tab separated map files + + ]]></help> + <citations> + <citation type="doi">10.1002%2Fprot.24592</citation> + </citations> +</tool>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/1AIK.pdb Thu May 16 11:27:07 2019 -0400 @@ -0,0 +1,1224 @@ +HEADER VIRAL PROTEIN 20-APR-97 1AIK +TITLE HIV GP41 CORE STRUCTURE +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: HIV-1 GP41 GLYCOPROTEIN; +COMPND 3 CHAIN: N; +COMPND 4 FRAGMENT: PROTEASE-RESISTANT CORE; +COMPND 5 ENGINEERED: YES; +COMPND 6 OTHER_DETAILS: N36 AND C34 ARE SYNTHETIC PEPTIDES; +COMPND 7 MOL_ID: 2; +COMPND 8 MOLECULE: HIV-1 GP41 GLYCOPROTEIN; +COMPND 9 CHAIN: C; +COMPND 10 FRAGMENT: PROTEASE-RESISTANT CORE; +COMPND 11 ENGINEERED: YES; +COMPND 12 OTHER_DETAILS: N36 AND C34 ARE SYNTHETIC PEPTIDES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_HXB2R; +SOURCE 3 ORGANISM_TAXID: 11706; +SOURCE 4 STRAIN: HXB2; +SOURCE 5 CELLULAR_LOCATION: VIRAL MEMBRANE; +SOURCE 6 GENE: GP41; +SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 9 EXPRESSION_SYSTEM_GENE: GP41; +SOURCE 10 MOL_ID: 2; +SOURCE 11 ORGANISM_SCIENTIFIC: HIV-1 M:B_HXB2R; +SOURCE 12 ORGANISM_TAXID: 11706; +SOURCE 13 STRAIN: HXB2; +SOURCE 14 CELLULAR_LOCATION: VIRAL MEMBRANE; +SOURCE 15 GENE: GP41; +SOURCE 16 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 17 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 18 EXPRESSION_SYSTEM_GENE: GP41 +KEYWDS HIV, GP41, ENVELOPE GLYCOPROTEIN, RETROVIRUS, VIRAL PROTEIN +EXPDTA X-RAY DIFFRACTION +AUTHOR D.C.CHAN,D.FASS,J.M.BERGER,P.S.KIM +REVDAT 3 13-JUL-11 1AIK 1 VERSN +REVDAT 2 24-FEB-09 1AIK 1 VERSN +REVDAT 1 16-JUN-97 1AIK 0 +JRNL AUTH D.C.CHAN,D.FASS,J.M.BERGER,P.S.KIM +JRNL TITL CORE STRUCTURE OF GP41 FROM THE HIV ENVELOPE GLYCOPROTEIN. +JRNL REF CELL(CAMBRIDGE,MASS.) V. 89 263 1997 +JRNL REFN ISSN 0092-8674 +JRNL PMID 9108481 +JRNL DOI 10.1016/S0092-8674(00)80205-6 +REMARK 2 +REMARK 2 RESOLUTION. 2.00 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : X-PLOR 3.851 +REMARK 3 AUTHORS : BRUNGER +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 12.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 100000000.000 +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 96.5 +REMARK 3 NUMBER OF REFLECTIONS : 5683 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM +REMARK 3 R VALUE (WORKING SET) : 0.238 +REMARK 3 FREE R VALUE : 0.266 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 7.120 +REMARK 3 FREE R VALUE TEST SET COUNT : 371 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL +REMARK 3 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. +REMARK 3 TOTAL NUMBER OF BINS USED : NULL +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL +REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL +REMARK 3 BIN R VALUE (WORKING SET) : NULL +REMARK 3 BIN FREE R VALUE : NULL +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL +REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 594 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 0 +REMARK 3 SOLVENT ATOMS : 43 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM SIGMAA (A) : NULL +REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL +REMARK 3 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL +REMARK 3 ESD FROM C-V SIGMAA (A) : NULL +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 BOND LENGTHS (A) : 0.014 +REMARK 3 BOND ANGLES (DEGREES) : 2.74 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL +REMARK 3 IMPROPER ANGLES (DEGREES) : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL MODEL : NULL +REMARK 3 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA +REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL +REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 NCS MODEL : NULL +REMARK 3 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL +REMARK 3 +REMARK 3 PARAMETER FILE 1 : NULL +REMARK 3 TOPOLOGY FILE 1 : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 1AIK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : MAR-97 +REMARK 200 TEMPERATURE (KELVIN) : 100 +REMARK 200 PH : 6.0 +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 RUH2R +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : MIRRORS +REMARK 200 +REMARK 200 DETECTOR TYPE : IMAGE PLATE +REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 5287 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 +REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.500 +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 96.5 +REMARK 200 DATA REDUNDANCY : NULL +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : 0.05400 +REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 18.4000 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.07 +REMARK 200 COMPLETENESS FOR SHELL (%) : 98.9 +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : 0.26300 +REMARK 200 <I/SIGMA(I)> FOR SHELL : 5.400 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD +REMARK 200 SOFTWARE USED: X-PLOR 3.851 +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: DATA AT NSLS USED MAD METHODS. DATA COLLECTED ON AN OSMIUM +REMARK 200 -SOAK CRYSTAL AT WAVELENGTHS 1.1398, 1.1396, 1.1344, AND 1.1406 +REMARK 200 ANGSTROMS. +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 46.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.32 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: A 10 MG/ML STOCK WAS DILUTED 1:1 IN A +REMARK 280 SITTING DROP WITH 80 MM NH4CL, 20% PEG200, AND 50% ISOPROPANOL, +REMARK 280 AND THEN ALLOWED TO EQUILIBRATE AGAINST 80 MM NH4CL, 20% PEG200, +REMARK 280 AND 30% ISOPROPANOL., PH 6.0, VAPOR DIFFUSION - SITTING DROP +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 3 2 1 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -Y,X-Y,Z +REMARK 290 3555 -X+Y,-X,Z +REMARK 290 4555 Y,X,-Z +REMARK 290 5555 X-Y,-Y,-Z +REMARK 290 6555 -X,-X+Y,-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 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 +REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 +REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +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 AUTHOR DETERMINED BIOLOGICAL UNIT: HEXAMERIC +REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC +REMARK 350 SOFTWARE USED: PISA,PQS +REMARK 350 TOTAL BURIED SURFACE AREA: 12190 ANGSTROM**2 +REMARK 350 SURFACE AREA OF THE COMPLEX: 10400 ANGSTROM**2 +REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -98.0 KCAL/MOL +REMARK 350 APPLY THE FOLLOWING TO CHAINS: N, 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 BIOMT1 2 -0.500000 -0.866025 0.000000 49.50000 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000 +REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 +REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 24.75000 +REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 42.86826 +REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 H GLU C 630 H1 HOH C 8 1.41 +REMARK 500 H SER N 546 H1 HOH N 29 1.50 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION +REMARK 500 HIS N 564 NE2 HIS N 564 CD2 -0.082 +REMARK 500 HIS C 643 NE2 HIS C 643 CD2 -0.085 +REMARK 500 SER C 644 CB SER C 644 OG 0.083 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: COVALENT BOND ANGLES +REMARK 500 +REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES +REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE +REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) +REMARK 500 +REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 +REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 +REMARK 500 +REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 +REMARK 500 TRP N 571 CD1 - CG - CD2 ANGL. DEV. = 5.8 DEGREES +REMARK 500 TRP N 571 CE2 - CD2 - CG ANGL. DEV. = -5.8 DEGREES +REMARK 500 TRP N 571 CG - CD2 - CE3 ANGL. DEV. = 6.0 DEGREES +REMARK 500 ARG N 579 NE - CZ - NH2 ANGL. DEV. = 3.5 DEGREES +REMARK 500 TRP C 628 CD1 - CG - CD2 ANGL. DEV. = 6.8 DEGREES +REMARK 500 TRP C 628 CE2 - CD2 - CG ANGL. DEV. = -5.7 DEGREES +REMARK 500 TRP C 631 CD1 - CG - CD2 ANGL. DEV. = 7.4 DEGREES +REMARK 500 TRP C 631 CG - CD1 - NE1 ANGL. DEV. = -6.1 DEGREES +REMARK 500 TRP C 631 CE2 - CD2 - CG ANGL. DEV. = -5.8 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 1AIK N 546 581 UNP P04578 ENV_HV1H2 544 579 +DBREF 1AIK C 628 661 UNP P04578 ENV_HV1H2 623 656 +SEQRES 1 N 37 ACE SER GLY ILE VAL GLN GLN GLN ASN ASN LEU LEU ARG +SEQRES 2 N 37 ALA ILE GLU ALA GLN GLN HIS LEU LEU GLN LEU THR VAL +SEQRES 3 N 37 TRP GLY ILE LYS GLN LEU GLN ALA ARG ILE LEU +SEQRES 1 C 35 ACE TRP MET GLU TRP ASP ARG GLU ILE ASN ASN TYR THR +SEQRES 2 C 35 SER LEU ILE HIS SER LEU ILE GLU GLU SER GLN ASN GLN +SEQRES 3 C 35 GLN GLU LYS ASN GLU GLN GLU LEU LEU +HET ACE N 545 3 +HET ACE C 627 3 +HETNAM ACE ACETYL GROUP +FORMUL 1 ACE 2(C2 H4 O) +FORMUL 3 HOH *43(H2 O) +HELIX 1 1 GLY N 547 ALA N 578 1 32 +HELIX 2 2 MET C 629 GLU C 659 1 31 +LINK C ACE N 545 N SER N 546 1555 1555 1.33 +LINK C ACE C 627 N TRP C 628 1555 1555 1.33 +CRYST1 49.500 49.500 55.300 90.00 90.00 120.00 P 3 2 1 6 +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 0.020202 0.011664 0.000000 0.00000 +SCALE2 0.000000 0.023327 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.018083 0.00000 +HETATM 1 C ACE N 545 19.211 14.270 -17.472 1.00 56.26 C +HETATM 2 O ACE N 545 19.488 14.580 -16.305 1.00 56.37 O +HETATM 3 CH3 ACE N 545 20.273 14.045 -18.531 1.00 56.01 C +ATOM 4 N SER N 546 17.955 14.014 -17.827 1.00 56.49 N +ATOM 5 CA SER N 546 16.876 14.392 -16.942 1.00 56.15 C +ATOM 6 C SER N 546 16.909 13.631 -15.655 1.00 56.24 C +ATOM 7 O SER N 546 16.736 14.255 -14.615 1.00 57.67 O +ATOM 8 CB SER N 546 15.525 14.172 -17.546 1.00 56.05 C +ATOM 9 OG SER N 546 15.498 12.815 -17.842 1.00 57.84 O +ATOM 10 H SER N 546 17.816 13.501 -18.652 1.00 0.00 H +ATOM 11 HG SER N 546 15.988 12.455 -18.582 1.00 0.00 H +ATOM 12 N GLY N 547 17.181 12.316 -15.724 1.00 55.59 N +ATOM 13 CA GLY N 547 17.202 11.414 -14.570 1.00 53.04 C +ATOM 14 C GLY N 547 18.299 11.783 -13.596 1.00 51.70 C +ATOM 15 O GLY N 547 18.147 11.667 -12.391 1.00 50.76 O +ATOM 16 H GLY N 547 17.409 11.945 -16.618 1.00 0.00 H +ATOM 17 N ILE N 548 19.399 12.280 -14.145 1.00 51.57 N +ATOM 18 CA ILE N 548 20.551 12.815 -13.425 1.00 52.14 C +ATOM 19 C ILE N 548 20.218 14.116 -12.696 1.00 51.31 C +ATOM 20 O ILE N 548 20.543 14.273 -11.519 1.00 50.83 O +ATOM 21 CB ILE N 548 21.693 13.043 -14.436 1.00 54.22 C +ATOM 22 CG1 ILE N 548 22.120 11.712 -15.087 1.00 54.58 C +ATOM 23 CG2 ILE N 548 22.861 13.705 -13.721 1.00 55.25 C +ATOM 24 CD1 ILE N 548 23.126 11.909 -16.234 1.00 56.29 C +ATOM 25 H ILE N 548 19.445 12.272 -15.118 1.00 0.00 H +ATOM 26 N VAL N 549 19.590 15.054 -13.393 1.00 50.93 N +ATOM 27 CA VAL N 549 19.093 16.291 -12.786 1.00 50.79 C +ATOM 28 C VAL N 549 18.036 15.977 -11.726 1.00 50.36 C +ATOM 29 O VAL N 549 17.992 16.598 -10.674 1.00 51.60 O +ATOM 30 CB VAL N 549 18.451 17.196 -13.841 1.00 52.28 C +ATOM 31 CG1 VAL N 549 17.814 18.437 -13.226 1.00 54.97 C +ATOM 32 CG2 VAL N 549 19.539 17.650 -14.780 1.00 51.05 C +ATOM 33 H VAL N 549 19.486 14.911 -14.360 1.00 0.00 H +ATOM 34 N GLN N 550 17.187 15.030 -12.001 1.00 49.13 N +ATOM 35 CA GLN N 550 16.176 14.508 -11.109 1.00 49.23 C +ATOM 36 C GLN N 550 16.843 13.895 -9.861 1.00 48.50 C +ATOM 37 O GLN N 550 16.520 14.236 -8.736 1.00 47.94 O +ATOM 38 CB GLN N 550 15.452 13.398 -11.814 1.00 52.96 C +ATOM 39 CG GLN N 550 13.929 13.475 -11.925 1.00 60.75 C +ATOM 40 CD GLN N 550 13.343 13.742 -10.585 1.00 65.31 C +ATOM 41 OE1 GLN N 550 13.048 14.884 -10.294 1.00 71.73 O +ATOM 42 NE2 GLN N 550 13.111 12.750 -9.753 1.00 67.42 N +ATOM 43 H GLN N 550 17.256 14.628 -12.913 1.00 0.00 H +ATOM 44 HE21 GLN N 550 12.689 12.960 -8.892 1.00 0.00 H +ATOM 45 HE22 GLN N 550 13.298 11.810 -10.020 1.00 0.00 H +ATOM 46 N GLN N 551 17.847 13.009 -10.014 1.00 47.87 N +ATOM 47 CA GLN N 551 18.607 12.368 -8.940 1.00 47.02 C +ATOM 48 C GLN N 551 19.320 13.416 -8.092 1.00 45.81 C +ATOM 49 O GLN N 551 19.330 13.334 -6.868 1.00 46.09 O +ATOM 50 CB GLN N 551 19.605 11.378 -9.582 1.00 45.66 C +ATOM 51 CG GLN N 551 20.600 10.535 -8.719 1.00 41.50 C +ATOM 52 CD GLN N 551 19.994 9.589 -7.719 1.00 39.83 C +ATOM 53 OE1 GLN N 551 18.955 9.872 -7.134 1.00 42.03 O +ATOM 54 NE2 GLN N 551 20.573 8.430 -7.469 1.00 34.15 N +ATOM 55 H GLN N 551 18.103 12.786 -10.928 1.00 0.00 H +ATOM 56 HE21 GLN N 551 20.183 7.817 -6.808 1.00 0.00 H +ATOM 57 HE22 GLN N 551 21.382 8.205 -7.988 1.00 0.00 H +ATOM 58 N GLN N 552 19.874 14.445 -8.725 1.00 45.32 N +ATOM 59 CA GLN N 552 20.538 15.562 -8.041 1.00 44.72 C +ATOM 60 C GLN N 552 19.620 16.316 -7.096 1.00 43.57 C +ATOM 61 O GLN N 552 19.987 16.732 -6.006 1.00 41.76 O +ATOM 62 CB GLN N 552 21.115 16.542 -9.078 1.00 46.04 C +ATOM 63 CG GLN N 552 22.500 16.015 -9.433 1.00 50.92 C +ATOM 64 CD GLN N 552 23.257 16.787 -10.486 1.00 54.67 C +ATOM 65 OE1 GLN N 552 22.658 17.525 -11.260 1.00 59.31 O +ATOM 66 NE2 GLN N 552 24.575 16.670 -10.575 1.00 56.36 N +ATOM 67 H GLN N 552 19.818 14.442 -9.707 1.00 0.00 H +ATOM 68 HE21 GLN N 552 24.996 17.210 -11.277 1.00 0.00 H +ATOM 69 HE22 GLN N 552 25.079 16.087 -9.993 1.00 0.00 H +ATOM 70 N ASN N 553 18.383 16.452 -7.534 1.00 43.26 N +ATOM 71 CA ASN N 553 17.350 17.053 -6.728 1.00 43.57 C +ATOM 72 C ASN N 553 17.047 16.173 -5.554 1.00 42.82 C +ATOM 73 O ASN N 553 16.914 16.649 -4.433 1.00 43.18 O +ATOM 74 CB ASN N 553 16.050 17.238 -7.509 1.00 46.51 C +ATOM 75 CG ASN N 553 15.095 18.168 -6.802 1.00 51.48 C +ATOM 76 OD1 ASN N 553 15.256 18.608 -5.669 1.00 59.01 O +ATOM 77 ND2 ASN N 553 14.006 18.540 -7.412 1.00 57.62 N +ATOM 78 H ASN N 553 18.168 16.200 -8.470 1.00 0.00 H +ATOM 79 HD21 ASN N 553 13.333 19.036 -6.902 1.00 0.00 H +ATOM 80 HD22 ASN N 553 13.822 18.181 -8.313 1.00 0.00 H +ATOM 81 N ASN N 554 17.005 14.883 -5.807 1.00 42.25 N +ATOM 82 CA ASN N 554 16.731 13.930 -4.736 1.00 43.15 C +ATOM 83 C ASN N 554 17.876 13.908 -3.715 1.00 42.63 C +ATOM 84 O ASN N 554 17.628 13.893 -2.508 1.00 42.65 O +ATOM 85 CB ASN N 554 16.534 12.538 -5.331 1.00 44.49 C +ATOM 86 CG ASN N 554 15.340 12.520 -6.239 1.00 48.97 C +ATOM 87 OD1 ASN N 554 14.277 13.033 -5.925 1.00 51.91 O +ATOM 88 ND2 ASN N 554 15.485 12.022 -7.460 1.00 52.70 N +ATOM 89 H ASN N 554 17.137 14.573 -6.736 1.00 0.00 H +ATOM 90 HD21 ASN N 554 14.691 11.924 -8.059 1.00 0.00 H +ATOM 91 HD22 ASN N 554 16.321 11.585 -7.671 1.00 0.00 H +ATOM 92 N LEU N 555 19.125 14.034 -4.177 1.00 41.19 N +ATOM 93 CA LEU N 555 20.270 14.065 -3.310 1.00 39.88 C +ATOM 94 C LEU N 555 20.274 15.341 -2.498 1.00 40.16 C +ATOM 95 O LEU N 555 20.383 15.280 -1.272 1.00 40.42 O +ATOM 96 CB LEU N 555 21.556 13.984 -4.115 1.00 37.85 C +ATOM 97 CG LEU N 555 21.762 12.724 -4.945 1.00 38.85 C +ATOM 98 CD1 LEU N 555 23.106 12.783 -5.687 1.00 39.10 C +ATOM 99 CD2 LEU N 555 21.643 11.526 -4.019 1.00 36.44 C +ATOM 100 H LEU N 555 19.245 14.101 -5.145 1.00 0.00 H +ATOM 101 N LEU N 556 20.097 16.504 -3.139 1.00 39.83 N +ATOM 102 CA LEU N 556 20.056 17.800 -2.490 1.00 39.00 C +ATOM 103 C LEU N 556 18.997 17.825 -1.428 1.00 40.28 C +ATOM 104 O LEU N 556 19.251 18.290 -0.326 1.00 40.24 O +ATOM 105 CB LEU N 556 19.769 18.896 -3.504 1.00 37.52 C +ATOM 106 CG LEU N 556 19.826 20.327 -2.982 1.00 35.51 C +ATOM 107 CD1 LEU N 556 21.227 20.634 -2.595 1.00 38.30 C +ATOM 108 CD2 LEU N 556 19.383 21.304 -4.051 1.00 35.56 C +ATOM 109 H LEU N 556 20.042 16.470 -4.118 1.00 0.00 H +ATOM 110 N ARG N 557 17.823 17.292 -1.689 1.00 41.01 N +ATOM 111 CA ARG N 557 16.776 17.288 -0.685 1.00 42.31 C +ATOM 112 C ARG N 557 17.200 16.394 0.467 1.00 42.26 C +ATOM 113 O ARG N 557 17.012 16.740 1.622 1.00 42.69 O +ATOM 114 CB ARG N 557 15.457 16.809 -1.356 1.00 45.42 C +ATOM 115 CG ARG N 557 14.746 17.951 -2.111 1.00 50.30 C +ATOM 116 CD ARG N 557 13.344 17.553 -2.601 1.00 57.56 C +ATOM 117 NE ARG N 557 13.280 16.625 -3.751 1.00 64.22 N +ATOM 118 CZ ARG N 557 12.355 15.631 -3.918 1.00 63.91 C +ATOM 119 NH1 ARG N 557 11.397 15.396 -3.011 1.00 64.47 N +ATOM 120 NH2 ARG N 557 12.335 14.867 -5.036 1.00 59.98 N +ATOM 121 H ARG N 557 17.638 16.953 -2.607 1.00 0.00 H +ATOM 122 HE ARG N 557 13.950 16.746 -4.463 1.00 0.00 H +ATOM 123 HH11 ARG N 557 11.350 15.933 -2.167 1.00 0.00 H +ATOM 124 HH12 ARG N 557 10.752 14.634 -3.142 1.00 0.00 H +ATOM 125 HH21 ARG N 557 12.994 15.016 -5.779 1.00 0.00 H +ATOM 126 HH22 ARG N 557 11.659 14.126 -5.135 1.00 0.00 H +ATOM 127 N ALA N 558 17.915 15.313 0.192 1.00 41.57 N +ATOM 128 CA ALA N 558 18.387 14.409 1.226 1.00 41.10 C +ATOM 129 C ALA N 558 19.392 15.061 2.144 1.00 40.54 C +ATOM 130 O ALA N 558 19.295 14.930 3.360 1.00 39.05 O +ATOM 131 CB ALA N 558 19.030 13.199 0.587 1.00 41.90 C +ATOM 132 H ALA N 558 18.173 15.144 -0.746 1.00 0.00 H +ATOM 133 N ILE N 559 20.294 15.861 1.569 1.00 41.09 N +ATOM 134 CA ILE N 559 21.309 16.634 2.316 1.00 40.49 C +ATOM 135 C ILE N 559 20.614 17.708 3.169 1.00 41.59 C +ATOM 136 O ILE N 559 20.961 17.946 4.334 1.00 41.89 O +ATOM 137 CB ILE N 559 22.333 17.310 1.315 1.00 37.40 C +ATOM 138 CG1 ILE N 559 23.112 16.223 0.558 1.00 35.03 C +ATOM 139 CG2 ILE N 559 23.294 18.213 2.061 1.00 36.22 C +ATOM 140 CD1 ILE N 559 23.944 16.723 -0.634 1.00 29.22 C +ATOM 141 H ILE N 559 20.262 15.968 0.586 1.00 0.00 H +ATOM 142 N GLU N 560 19.595 18.377 2.634 1.00 41.05 N +ATOM 143 CA GLU N 560 18.927 19.411 3.378 1.00 41.53 C +ATOM 144 C GLU N 560 18.194 18.774 4.529 1.00 41.42 C +ATOM 145 O GLU N 560 18.199 19.290 5.659 1.00 42.58 O +ATOM 146 CB GLU N 560 17.950 20.139 2.504 1.00 42.94 C +ATOM 147 CG GLU N 560 18.559 20.916 1.342 1.00 49.98 C +ATOM 148 CD GLU N 560 17.569 21.635 0.403 1.00 56.47 C +ATOM 149 OE1 GLU N 560 16.353 21.580 0.624 1.00 58.21 O +ATOM 150 OE2 GLU N 560 18.018 22.257 -0.566 1.00 56.22 O +ATOM 151 H GLU N 560 19.338 18.191 1.696 1.00 0.00 H +ATOM 152 N ALA N 561 17.605 17.606 4.311 1.00 41.55 N +ATOM 153 CA ALA N 561 16.886 16.905 5.362 1.00 41.77 C +ATOM 154 C ALA N 561 17.880 16.505 6.441 1.00 42.70 C +ATOM 155 O ALA N 561 17.661 16.726 7.641 1.00 42.40 O +ATOM 156 CB ALA N 561 16.221 15.671 4.797 1.00 39.29 C +ATOM 157 H ALA N 561 17.617 17.230 3.403 1.00 0.00 H +ATOM 158 N GLN N 562 19.053 16.076 6.014 1.00 43.26 N +ATOM 159 CA GLN N 562 20.042 15.666 6.986 1.00 43.97 C +ATOM 160 C GLN N 562 20.607 16.819 7.771 1.00 43.53 C +ATOM 161 O GLN N 562 20.989 16.658 8.934 1.00 43.63 O +ATOM 162 CB GLN N 562 21.194 14.960 6.319 1.00 45.81 C +ATOM 163 CG GLN N 562 20.703 13.620 5.857 1.00 48.45 C +ATOM 164 CD GLN N 562 21.844 12.875 5.276 1.00 52.27 C +ATOM 165 OE1 GLN N 562 22.693 13.426 4.578 1.00 54.50 O +ATOM 166 NE2 GLN N 562 21.828 11.590 5.556 1.00 54.42 N +ATOM 167 H GLN N 562 19.263 16.023 5.043 1.00 0.00 H +ATOM 168 HE21 GLN N 562 22.558 11.067 5.175 1.00 0.00 H +ATOM 169 HE22 GLN N 562 21.094 11.248 6.104 1.00 0.00 H +ATOM 170 N GLN N 563 20.651 17.976 7.121 1.00 42.95 N +ATOM 171 CA GLN N 563 21.100 19.166 7.761 1.00 43.75 C +ATOM 172 C GLN N 563 20.156 19.484 8.886 1.00 44.90 C +ATOM 173 O GLN N 563 20.607 19.846 9.965 1.00 45.57 O +ATOM 174 CB GLN N 563 21.149 20.323 6.777 1.00 41.93 C +ATOM 175 CG GLN N 563 21.818 21.547 7.400 1.00 41.15 C +ATOM 176 CD GLN N 563 23.189 21.261 8.013 1.00 42.08 C +ATOM 177 OE1 GLN N 563 23.917 20.363 7.583 1.00 48.51 O +ATOM 178 NE2 GLN N 563 23.627 21.967 9.043 1.00 39.35 N +ATOM 179 H GLN N 563 20.474 17.971 6.162 1.00 0.00 H +ATOM 180 HE21 GLN N 563 24.526 21.732 9.369 1.00 0.00 H +ATOM 181 HE22 GLN N 563 23.085 22.653 9.451 1.00 0.00 H +ATOM 182 N HIS N 564 18.842 19.364 8.714 1.00 46.08 N +ATOM 183 CA HIS N 564 17.909 19.582 9.830 1.00 47.34 C +ATOM 184 C HIS N 564 18.133 18.647 10.985 1.00 46.35 C +ATOM 185 O HIS N 564 18.167 19.105 12.118 1.00 45.28 O +ATOM 186 CB HIS N 564 16.508 19.405 9.372 1.00 52.29 C +ATOM 187 CG HIS N 564 16.122 20.497 8.389 1.00 58.12 C +ATOM 188 ND1 HIS N 564 15.024 20.554 7.683 1.00 63.16 N +ATOM 189 CD2 HIS N 564 16.858 21.617 8.051 1.00 61.99 C +ATOM 190 CE1 HIS N 564 15.029 21.609 6.945 1.00 62.90 C +ATOM 191 NE2 HIS N 564 16.140 22.240 7.177 1.00 62.40 N +ATOM 192 H HIS N 564 18.535 19.251 7.783 1.00 0.00 H +ATOM 193 HD1 HIS N 564 14.318 19.929 7.750 1.00 0.00 H +ATOM 194 HE2 HIS N 564 16.408 23.027 6.657 1.00 0.00 H +ATOM 195 N LEU N 565 18.352 17.382 10.651 1.00 46.30 N +ATOM 196 CA LEU N 565 18.728 16.389 11.627 1.00 47.50 C +ATOM 197 C LEU N 565 20.023 16.771 12.360 1.00 47.96 C +ATOM 198 O LEU N 565 20.106 16.694 13.603 1.00 47.27 O +ATOM 199 CB LEU N 565 18.955 15.028 10.980 1.00 48.98 C +ATOM 200 CG LEU N 565 17.893 13.938 10.810 1.00 50.24 C +ATOM 201 CD1 LEU N 565 18.612 12.580 10.876 1.00 49.28 C +ATOM 202 CD2 LEU N 565 16.843 13.988 11.920 1.00 52.14 C +ATOM 203 H LEU N 565 18.325 17.139 9.702 1.00 0.00 H +ATOM 204 N LEU N 566 21.033 17.258 11.622 1.00 47.51 N +ATOM 205 CA LEU N 566 22.278 17.718 12.229 1.00 48.90 C +ATOM 206 C LEU N 566 22.041 18.835 13.232 1.00 48.39 C +ATOM 207 O LEU N 566 22.563 18.779 14.346 1.00 47.61 O +ATOM 208 CB LEU N 566 23.299 18.205 11.144 1.00 50.19 C +ATOM 209 CG LEU N 566 24.223 17.163 10.521 1.00 50.83 C +ATOM 210 CD1 LEU N 566 24.767 17.627 9.151 1.00 45.73 C +ATOM 211 CD2 LEU N 566 25.295 16.848 11.579 1.00 50.85 C +ATOM 212 H LEU N 566 20.921 17.339 10.656 1.00 0.00 H +ATOM 213 N GLN N 567 21.182 19.797 12.902 1.00 48.03 N +ATOM 214 CA GLN N 567 20.839 20.897 13.794 1.00 48.69 C +ATOM 215 C GLN N 567 20.124 20.425 15.041 1.00 48.44 C +ATOM 216 O GLN N 567 20.379 20.878 16.165 1.00 48.89 O +ATOM 217 CB GLN N 567 19.940 21.927 13.071 1.00 49.47 C +ATOM 218 CG GLN N 567 20.632 22.647 11.906 1.00 56.49 C +ATOM 219 CD GLN N 567 21.964 23.290 12.278 1.00 63.24 C +ATOM 220 OE1 GLN N 567 22.393 23.265 13.426 1.00 66.99 O +ATOM 221 NE2 GLN N 567 22.723 23.924 11.394 1.00 68.66 N +ATOM 222 H GLN N 567 20.769 19.768 12.006 1.00 0.00 H +ATOM 223 HE21 GLN N 567 23.539 24.303 11.833 1.00 0.00 H +ATOM 224 HE22 GLN N 567 22.514 24.033 10.471 1.00 0.00 H +ATOM 225 N LEU N 568 19.313 19.365 14.871 1.00 48.05 N +ATOM 226 CA LEU N 568 18.513 18.907 15.980 1.00 47.97 C +ATOM 227 C LEU N 568 19.410 18.201 16.958 1.00 47.65 C +ATOM 228 O LEU N 568 19.319 18.457 18.167 1.00 48.06 O +ATOM 229 CB LEU N 568 17.399 18.019 15.472 1.00 47.11 C +ATOM 230 CG LEU N 568 16.441 18.651 14.453 1.00 52.05 C +ATOM 231 CD1 LEU N 568 15.376 17.669 14.033 1.00 49.38 C +ATOM 232 CD2 LEU N 568 15.844 19.917 15.044 1.00 53.06 C +ATOM 233 H LEU N 568 19.352 18.869 14.024 1.00 0.00 H +ATOM 234 N THR N 569 20.343 17.385 16.474 1.00 47.68 N +ATOM 235 CA THR N 569 21.300 16.706 17.345 1.00 46.82 C +ATOM 236 C THR N 569 22.179 17.733 18.051 1.00 46.78 C +ATOM 237 O THR N 569 22.428 17.562 19.238 1.00 46.53 O +ATOM 238 CB THR N 569 22.196 15.706 16.513 1.00 48.47 C +ATOM 239 OG1 THR N 569 22.896 16.453 15.512 1.00 50.39 O +ATOM 240 CG2 THR N 569 21.367 14.574 15.887 1.00 45.02 C +ATOM 241 H THR N 569 20.365 17.208 15.510 1.00 0.00 H +ATOM 242 HG1 THR N 569 22.309 16.916 14.917 1.00 0.00 H +ATOM 243 N VAL N 570 22.568 18.851 17.411 1.00 46.51 N +ATOM 244 CA VAL N 570 23.388 19.879 18.056 1.00 46.07 C +ATOM 245 C VAL N 570 22.584 20.543 19.173 1.00 46.10 C +ATOM 246 O VAL N 570 23.109 20.791 20.268 1.00 46.19 O +ATOM 247 CB VAL N 570 23.824 20.975 17.067 1.00 46.87 C +ATOM 248 CG1 VAL N 570 24.628 22.078 17.767 1.00 43.56 C +ATOM 249 CG2 VAL N 570 24.698 20.324 16.003 1.00 47.58 C +ATOM 250 H VAL N 570 22.267 19.018 16.480 1.00 0.00 H +ATOM 251 N TRP N 571 21.311 20.824 18.901 1.00 44.96 N +ATOM 252 CA TRP N 571 20.448 21.354 19.916 1.00 45.54 C +ATOM 253 C TRP N 571 20.408 20.357 21.079 1.00 45.70 C +ATOM 254 O TRP N 571 20.466 20.796 22.237 1.00 46.48 O +ATOM 255 CB TRP N 571 19.025 21.547 19.422 1.00 45.68 C +ATOM 256 CG TRP N 571 18.046 21.979 20.538 1.00 47.31 C +ATOM 257 CD1 TRP N 571 17.853 23.309 20.778 1.00 47.86 C +ATOM 258 CD2 TRP N 571 17.291 21.171 21.401 1.00 48.92 C +ATOM 259 NE1 TRP N 571 16.991 23.361 21.767 1.00 47.92 N +ATOM 260 CE2 TRP N 571 16.630 22.132 22.175 1.00 47.99 C +ATOM 261 CE3 TRP N 571 17.056 19.805 21.674 1.00 48.37 C +ATOM 262 CZ2 TRP N 571 15.742 21.753 23.189 1.00 46.81 C +ATOM 263 CZ3 TRP N 571 16.181 19.419 22.697 1.00 46.38 C +ATOM 264 CH2 TRP N 571 15.524 20.395 23.451 1.00 47.44 C +ATOM 265 H TRP N 571 20.993 20.625 17.998 1.00 0.00 H +ATOM 266 HE1 TRP N 571 16.632 24.201 22.162 1.00 0.00 H +ATOM 267 N GLY N 572 20.356 19.036 20.842 1.00 45.29 N +ATOM 268 CA GLY N 572 20.270 18.034 21.892 1.00 44.49 C +ATOM 269 C GLY N 572 21.532 18.044 22.719 1.00 44.03 C +ATOM 270 O GLY N 572 21.491 18.102 23.948 1.00 43.66 O +ATOM 271 H GLY N 572 20.483 18.736 19.917 1.00 0.00 H +ATOM 272 N ILE N 573 22.671 18.122 22.031 1.00 44.11 N +ATOM 273 CA ILE N 573 23.986 18.156 22.666 1.00 44.64 C +ATOM 274 C ILE N 573 24.148 19.402 23.527 1.00 45.83 C +ATOM 275 O ILE N 573 24.571 19.300 24.666 1.00 46.58 O +ATOM 276 CB ILE N 573 25.125 18.159 21.622 1.00 44.82 C +ATOM 277 CG1 ILE N 573 25.094 16.885 20.810 1.00 43.85 C +ATOM 278 CG2 ILE N 573 26.482 18.303 22.325 1.00 44.82 C +ATOM 279 CD1 ILE N 573 26.010 16.983 19.585 1.00 44.87 C +ATOM 280 H ILE N 573 22.603 18.229 21.056 1.00 0.00 H +ATOM 281 N LYS N 574 23.840 20.594 23.044 1.00 46.57 N +ATOM 282 CA LYS N 574 24.001 21.819 23.817 1.00 47.39 C +ATOM 283 C LYS N 574 23.075 21.810 25.027 1.00 47.64 C +ATOM 284 O LYS N 574 23.456 22.221 26.103 1.00 47.42 O +ATOM 285 CB LYS N 574 23.679 23.041 22.944 1.00 47.81 C +ATOM 286 CG LYS N 574 24.626 23.233 21.776 1.00 47.81 C +ATOM 287 CD LYS N 574 24.343 24.597 21.117 1.00 49.66 C +ATOM 288 CE LYS N 574 25.235 24.786 19.879 1.00 57.06 C +ATOM 289 NZ LYS N 574 25.047 26.026 19.167 1.00 51.95 N +ATOM 290 H LYS N 574 23.447 20.634 22.137 1.00 0.00 H +ATOM 291 HZ1 LYS N 574 24.056 26.097 18.850 1.00 0.00 H +ATOM 292 HZ2 LYS N 574 25.302 26.787 19.816 1.00 0.00 H +ATOM 293 HZ3 LYS N 574 25.671 26.035 18.326 1.00 0.00 H +ATOM 294 N GLN N 575 21.863 21.301 24.898 1.00 47.76 N +ATOM 295 CA GLN N 575 20.947 21.160 26.010 1.00 49.56 C +ATOM 296 C GLN N 575 21.523 20.277 27.101 1.00 50.70 C +ATOM 297 O GLN N 575 21.530 20.599 28.288 1.00 50.85 O +ATOM 298 CB GLN N 575 19.690 20.480 25.617 1.00 51.27 C +ATOM 299 CG GLN N 575 18.703 21.312 24.814 1.00 53.77 C +ATOM 300 CD GLN N 575 18.143 22.472 25.591 1.00 56.45 C +ATOM 301 OE1 GLN N 575 17.537 22.387 26.656 1.00 59.04 O +ATOM 302 NE2 GLN N 575 18.305 23.636 25.024 1.00 57.29 N +ATOM 303 H GLN N 575 21.606 20.942 24.016 1.00 0.00 H +ATOM 304 HE21 GLN N 575 17.915 24.394 25.512 1.00 0.00 H +ATOM 305 HE22 GLN N 575 18.755 23.713 24.154 1.00 0.00 H +ATOM 306 N LEU N 576 22.054 19.126 26.704 1.00 52.27 N +ATOM 307 CA LEU N 576 22.609 18.227 27.703 1.00 54.14 C +ATOM 308 C LEU N 576 23.887 18.797 28.277 1.00 55.59 C +ATOM 309 O LEU N 576 24.135 18.667 29.472 1.00 55.72 O +ATOM 310 CB LEU N 576 22.892 16.841 27.117 1.00 51.84 C +ATOM 311 CG LEU N 576 21.688 16.085 26.553 1.00 52.59 C +ATOM 312 CD1 LEU N 576 22.138 14.746 26.001 1.00 50.01 C +ATOM 313 CD2 LEU N 576 20.643 15.931 27.638 1.00 51.10 C +ATOM 314 H LEU N 576 22.073 18.904 25.743 1.00 0.00 H +ATOM 315 N GLN N 577 24.692 19.489 27.474 1.00 57.40 N +ATOM 316 CA GLN N 577 25.921 20.110 27.929 1.00 59.81 C +ATOM 317 C GLN N 577 25.672 21.245 28.915 1.00 62.47 C +ATOM 318 O GLN N 577 26.453 21.404 29.852 1.00 62.30 O +ATOM 319 CB GLN N 577 26.708 20.620 26.730 1.00 57.05 C +ATOM 320 CG GLN N 577 28.060 21.087 27.186 1.00 58.22 C +ATOM 321 CD GLN N 577 28.180 22.600 27.330 1.00 60.01 C +ATOM 322 OE1 GLN N 577 27.202 23.340 27.358 1.00 60.52 O +ATOM 323 NE2 GLN N 577 29.385 23.134 27.363 1.00 61.54 N +ATOM 324 H GLN N 577 24.455 19.535 26.530 1.00 0.00 H +ATOM 325 HE21 GLN N 577 29.399 24.107 27.430 1.00 0.00 H +ATOM 326 HE22 GLN N 577 30.164 22.554 27.335 1.00 0.00 H +ATOM 327 N ALA N 578 24.584 21.997 28.775 1.00 65.04 N +ATOM 328 CA ALA N 578 24.312 23.121 29.647 1.00 67.52 C +ATOM 329 C ALA N 578 24.101 22.643 31.062 1.00 69.93 C +ATOM 330 O ALA N 578 24.379 23.346 32.025 1.00 70.22 O +ATOM 331 CB ALA N 578 23.056 23.840 29.207 1.00 66.26 C +ATOM 332 H ALA N 578 23.987 21.810 28.016 1.00 0.00 H +ATOM 333 N ARG N 579 23.604 21.407 31.195 1.00 72.80 N +ATOM 334 CA ARG N 579 23.277 20.834 32.491 1.00 76.15 C +ATOM 335 C ARG N 579 24.297 19.924 33.116 1.00 77.71 C +ATOM 336 O ARG N 579 24.155 19.391 34.212 1.00 78.20 O +ATOM 337 CB ARG N 579 21.939 20.093 32.368 1.00 77.38 C +ATOM 338 CG ARG N 579 20.802 20.968 31.853 1.00 80.38 C +ATOM 339 CD ARG N 579 19.487 20.222 31.726 1.00 84.49 C +ATOM 340 NE ARG N 579 18.438 21.069 31.147 1.00 88.84 N +ATOM 341 CZ ARG N 579 17.385 20.587 30.457 1.00 91.52 C +ATOM 342 NH1 ARG N 579 17.230 19.303 30.253 1.00 94.12 N +ATOM 343 NH2 ARG N 579 16.430 21.352 29.931 1.00 90.71 N +ATOM 344 H ARG N 579 23.402 20.913 30.376 1.00 0.00 H +ATOM 345 HE ARG N 579 18.509 22.039 31.265 1.00 0.00 H +ATOM 346 HH11 ARG N 579 17.879 18.631 30.623 1.00 0.00 H +ATOM 347 HH12 ARG N 579 16.423 18.975 29.754 1.00 0.00 H +ATOM 348 HH21 ARG N 579 16.473 22.346 30.014 1.00 0.00 H +ATOM 349 HH22 ARG N 579 15.675 20.923 29.427 1.00 0.00 H +ATOM 350 N ILE N 580 25.362 19.713 32.371 1.00 79.12 N +ATOM 351 CA ILE N 580 26.445 18.772 32.675 1.00 81.05 C +ATOM 352 C ILE N 580 27.660 19.565 32.303 1.00 82.42 C +ATOM 353 O ILE N 580 28.531 19.018 31.659 1.00 83.59 O +ATOM 354 CB ILE N 580 26.246 17.503 31.784 1.00 80.80 C +ATOM 355 CG1 ILE N 580 25.193 16.697 32.429 1.00 84.04 C +ATOM 356 CG2 ILE N 580 27.451 16.589 31.650 1.00 78.88 C +ATOM 357 CD1 ILE N 580 24.516 16.191 31.215 1.00 86.00 C +ATOM 358 H ILE N 580 25.445 20.241 31.548 1.00 0.00 H +ATOM 359 N LEU N 581 27.698 20.865 32.557 1.00 83.28 N +ATOM 360 CA LEU N 581 28.887 21.706 32.347 1.00 83.95 C +ATOM 361 C LEU N 581 28.597 23.173 32.668 1.00 84.95 C +ATOM 362 O LEU N 581 27.778 23.359 33.577 1.00 88.48 O +ATOM 363 CB LEU N 581 29.461 21.581 30.920 1.00 82.81 C +ATOM 364 CG LEU N 581 30.924 21.079 30.935 1.00 80.52 C +ATOM 365 CD1 LEU N 581 31.242 20.050 32.038 1.00 78.52 C +ATOM 366 CD2 LEU N 581 31.148 20.566 29.548 1.00 80.15 C +ATOM 367 H LEU N 581 26.907 21.292 32.938 1.00 0.00 H +TER 368 LEU N 581 +HETATM 369 C ACE C 627 11.678 19.563 23.916 1.00 59.46 C +HETATM 370 O ACE C 627 11.509 19.280 22.723 1.00 59.59 O +HETATM 371 CH3 ACE C 627 11.401 20.961 24.478 1.00 59.14 C +ATOM 372 N TRP C 628 11.939 18.567 24.754 1.00 59.45 N +ATOM 373 CA TRP C 628 12.345 17.262 24.249 1.00 58.85 C +ATOM 374 C TRP C 628 11.305 16.438 23.468 1.00 59.28 C +ATOM 375 O TRP C 628 11.646 15.639 22.589 1.00 59.31 O +ATOM 376 CB TRP C 628 12.905 16.491 25.449 1.00 56.27 C +ATOM 377 CG TRP C 628 14.324 16.987 25.710 1.00 52.28 C +ATOM 378 CD1 TRP C 628 14.560 17.945 26.654 1.00 52.77 C +ATOM 379 CD2 TRP C 628 15.466 16.576 25.059 1.00 52.52 C +ATOM 380 NE1 TRP C 628 15.852 18.149 26.605 1.00 53.20 N +ATOM 381 CE2 TRP C 628 16.442 17.360 25.680 1.00 53.25 C +ATOM 382 CE3 TRP C 628 15.833 15.676 24.060 1.00 49.19 C +ATOM 383 CZ2 TRP C 628 17.793 17.256 25.297 1.00 50.70 C +ATOM 384 CZ3 TRP C 628 17.180 15.570 23.699 1.00 49.98 C +ATOM 385 CH2 TRP C 628 18.158 16.350 24.304 1.00 47.48 C +ATOM 386 H TRP C 628 11.881 18.708 25.724 1.00 0.00 H +ATOM 387 HE1 TRP C 628 16.338 18.759 27.208 1.00 0.00 H +ATOM 388 N MET C 629 9.992 16.635 23.651 1.00 59.74 N +ATOM 389 CA MET C 629 9.041 15.870 22.852 1.00 60.58 C +ATOM 390 C MET C 629 8.978 16.434 21.441 1.00 59.92 C +ATOM 391 O MET C 629 8.878 15.698 20.450 1.00 59.94 O +ATOM 392 CB MET C 629 7.644 15.848 23.489 1.00 63.71 C +ATOM 393 CG MET C 629 7.364 16.823 24.657 1.00 68.98 C +ATOM 394 SD MET C 629 6.220 16.291 25.948 1.00 72.59 S +ATOM 395 CE MET C 629 4.843 16.119 24.844 1.00 72.83 C +ATOM 396 H MET C 629 9.728 17.227 24.356 1.00 0.00 H +ATOM 397 N GLU C 630 9.151 17.749 21.302 1.00 59.19 N +ATOM 398 CA GLU C 630 9.179 18.350 19.990 1.00 59.94 C +ATOM 399 C GLU C 630 10.391 17.903 19.195 1.00 59.73 C +ATOM 400 O GLU C 630 10.317 17.666 17.988 1.00 58.71 O +ATOM 401 CB GLU C 630 9.192 19.876 20.063 1.00 62.30 C +ATOM 402 CG GLU C 630 9.263 20.558 18.693 1.00 66.55 C +ATOM 403 CD GLU C 630 8.214 20.271 17.616 1.00 69.57 C +ATOM 404 OE1 GLU C 630 7.325 19.430 17.788 1.00 71.12 O +ATOM 405 OE2 GLU C 630 8.304 20.921 16.577 1.00 71.20 O +ATOM 406 H GLU C 630 9.289 18.287 22.086 1.00 0.00 H +ATOM 407 N TRP C 631 11.517 17.795 19.893 1.00 60.09 N +ATOM 408 CA TRP C 631 12.758 17.353 19.309 1.00 60.33 C +ATOM 409 C TRP C 631 12.541 15.931 18.819 1.00 61.17 C +ATOM 410 O TRP C 631 12.869 15.598 17.708 1.00 61.33 O +ATOM 411 CB TRP C 631 13.836 17.478 20.395 1.00 56.29 C +ATOM 412 CG TRP C 631 15.206 16.925 19.960 1.00 54.47 C +ATOM 413 CD1 TRP C 631 16.103 17.708 19.291 1.00 54.11 C +ATOM 414 CD2 TRP C 631 15.644 15.637 20.169 1.00 50.58 C +ATOM 415 NE1 TRP C 631 17.137 16.928 19.120 1.00 53.39 N +ATOM 416 CE2 TRP C 631 16.924 15.687 19.621 1.00 50.81 C +ATOM 417 CE3 TRP C 631 15.169 14.490 20.782 1.00 44.66 C +ATOM 418 CZ2 TRP C 631 17.755 14.558 19.662 1.00 48.32 C +ATOM 419 CZ3 TRP C 631 15.995 13.360 20.809 1.00 45.04 C +ATOM 420 CH2 TRP C 631 17.274 13.377 20.242 1.00 45.24 C +ATOM 421 H TRP C 631 11.515 18.006 20.858 1.00 0.00 H +ATOM 422 HE1 TRP C 631 17.965 17.239 18.688 1.00 0.00 H +ATOM 423 N ASP C 632 11.873 15.089 19.562 1.00 62.54 N +ATOM 424 CA ASP C 632 11.600 13.733 19.160 1.00 64.59 C +ATOM 425 C ASP C 632 10.784 13.653 17.877 1.00 65.43 C +ATOM 426 O ASP C 632 11.049 12.839 16.989 1.00 65.87 O +ATOM 427 CB ASP C 632 10.801 13.059 20.184 1.00 66.75 C +ATOM 428 CG ASP C 632 11.553 11.867 20.759 1.00 70.81 C +ATOM 429 OD1 ASP C 632 11.763 10.875 20.036 1.00 73.19 O +ATOM 430 OD2 ASP C 632 11.864 12.009 21.934 1.00 73.17 O +ATOM 431 H ASP C 632 11.482 15.413 20.422 1.00 0.00 H +ATOM 432 N ARG C 633 9.741 14.481 17.788 1.00 65.95 N +ATOM 433 CA ARG C 633 8.846 14.452 16.645 1.00 66.10 C +ATOM 434 C ARG C 633 9.628 15.030 15.464 1.00 64.57 C +ATOM 435 O ARG C 633 9.583 14.449 14.377 1.00 64.74 O +ATOM 436 CB ARG C 633 7.586 15.329 16.804 1.00 70.93 C +ATOM 437 CG ARG C 633 6.473 15.063 17.832 1.00 77.51 C +ATOM 438 CD ARG C 633 5.742 16.383 18.096 1.00 83.59 C +ATOM 439 NE ARG C 633 5.101 16.320 19.404 1.00 90.92 N +ATOM 440 CZ ARG C 633 3.946 16.916 19.715 1.00 96.53 C +ATOM 441 NH1 ARG C 633 3.295 17.634 18.820 1.00 99.82 N +ATOM 442 NH2 ARG C 633 3.344 16.753 20.891 1.00 99.12 N +ATOM 443 H ARG C 633 9.604 15.123 18.523 1.00 0.00 H +ATOM 444 HE ARG C 633 5.536 15.785 20.096 1.00 0.00 H +ATOM 445 HH11 ARG C 633 3.715 17.801 17.918 1.00 0.00 H +ATOM 446 HH12 ARG C 633 2.486 18.174 19.079 1.00 0.00 H +ATOM 447 HH21 ARG C 633 3.713 16.130 21.573 1.00 0.00 H +ATOM 448 HH22 ARG C 633 2.491 17.256 21.077 1.00 0.00 H +ATOM 449 N GLU C 634 10.397 16.100 15.645 1.00 62.76 N +ATOM 450 CA GLU C 634 11.159 16.676 14.569 1.00 61.33 C +ATOM 451 C GLU C 634 12.229 15.727 14.081 1.00 60.46 C +ATOM 452 O GLU C 634 12.486 15.655 12.877 1.00 61.42 O +ATOM 453 CB GLU C 634 11.823 17.935 14.998 1.00 61.32 C +ATOM 454 CG GLU C 634 10.784 19.053 14.903 1.00 68.08 C +ATOM 455 CD GLU C 634 11.401 20.433 14.751 1.00 74.96 C +ATOM 456 OE1 GLU C 634 12.353 20.598 13.977 1.00 76.47 O +ATOM 457 OE2 GLU C 634 10.902 21.363 15.384 1.00 77.59 O +ATOM 458 H GLU C 634 10.437 16.483 16.554 1.00 0.00 H +ATOM 459 N ILE C 635 12.783 14.913 14.993 1.00 59.27 N +ATOM 460 CA ILE C 635 13.782 13.906 14.663 1.00 56.77 C +ATOM 461 C ILE C 635 13.110 12.816 13.854 1.00 57.26 C +ATOM 462 O ILE C 635 13.714 12.292 12.927 1.00 56.53 O +ATOM 463 CB ILE C 635 14.429 13.299 15.953 1.00 52.95 C +ATOM 464 CG1 ILE C 635 15.236 14.321 16.698 1.00 47.91 C +ATOM 465 CG2 ILE C 635 15.388 12.182 15.569 1.00 52.10 C +ATOM 466 CD1 ILE C 635 16.358 14.961 15.927 1.00 50.08 C +ATOM 467 H ILE C 635 12.540 15.067 15.936 1.00 0.00 H +ATOM 468 N ASN C 636 11.854 12.452 14.086 1.00 58.11 N +ATOM 469 CA ASN C 636 11.273 11.345 13.347 1.00 58.91 C +ATOM 470 C ASN C 636 10.775 11.849 12.030 1.00 59.34 C +ATOM 471 O ASN C 636 10.926 11.176 11.020 1.00 59.71 O +ATOM 472 CB ASN C 636 10.132 10.719 14.134 1.00 59.74 C +ATOM 473 CG ASN C 636 10.632 10.044 15.400 1.00 61.95 C +ATOM 474 OD1 ASN C 636 11.698 9.427 15.428 1.00 65.00 O +ATOM 475 ND2 ASN C 636 9.938 10.198 16.516 1.00 60.78 N +ATOM 476 H ASN C 636 11.345 12.892 14.807 1.00 0.00 H +ATOM 477 HD21 ASN C 636 10.323 9.834 17.341 1.00 0.00 H +ATOM 478 HD22 ASN C 636 9.118 10.706 16.495 1.00 0.00 H +ATOM 479 N ASN C 637 10.278 13.076 12.015 1.00 59.84 N +ATOM 480 CA ASN C 637 9.779 13.751 10.816 1.00 61.12 C +ATOM 481 C ASN C 637 10.834 13.839 9.723 1.00 61.25 C +ATOM 482 O ASN C 637 10.585 13.594 8.538 1.00 61.53 O +ATOM 483 CB ASN C 637 9.383 15.219 11.029 1.00 64.01 C +ATOM 484 CG ASN C 637 8.112 15.513 11.887 1.00 67.80 C +ATOM 485 OD1 ASN C 637 7.302 14.605 12.111 1.00 68.43 O +ATOM 486 ND2 ASN C 637 7.948 16.748 12.355 1.00 68.62 N +ATOM 487 H ASN C 637 10.230 13.550 12.877 1.00 0.00 H +ATOM 488 HD21 ASN C 637 7.144 16.914 12.846 1.00 0.00 H +ATOM 489 HD22 ASN C 637 8.650 17.412 12.187 1.00 0.00 H +ATOM 490 N TYR C 638 12.033 14.300 10.102 1.00 60.30 N +ATOM 491 CA TYR C 638 13.127 14.392 9.169 1.00 58.95 C +ATOM 492 C TYR C 638 13.679 13.029 8.854 1.00 58.12 C +ATOM 493 O TYR C 638 14.008 12.788 7.698 1.00 58.25 O +ATOM 494 CB TYR C 638 14.165 15.327 9.774 1.00 58.34 C +ATOM 495 CG TYR C 638 13.667 16.749 9.673 1.00 58.76 C +ATOM 496 CD1 TYR C 638 13.303 17.225 8.418 1.00 59.13 C +ATOM 497 CD2 TYR C 638 13.521 17.567 10.800 1.00 59.56 C +ATOM 498 CE1 TYR C 638 12.850 18.517 8.256 1.00 58.59 C +ATOM 499 CE2 TYR C 638 13.091 18.900 10.637 1.00 60.72 C +ATOM 500 CZ TYR C 638 12.738 19.343 9.354 1.00 59.43 C +ATOM 501 OH TYR C 638 12.451 20.666 9.088 1.00 58.81 O +ATOM 502 H TYR C 638 12.162 14.682 11.009 1.00 0.00 H +ATOM 503 HH TYR C 638 12.351 20.876 8.165 1.00 0.00 H +ATOM 504 N THR C 639 13.706 12.108 9.796 1.00 57.10 N +ATOM 505 CA THR C 639 14.134 10.771 9.461 1.00 57.84 C +ATOM 506 C THR C 639 13.232 10.085 8.424 1.00 58.82 C +ATOM 507 O THR C 639 13.725 9.331 7.554 1.00 58.69 O +ATOM 508 CB THR C 639 14.163 9.904 10.683 1.00 57.69 C +ATOM 509 OG1 THR C 639 15.110 10.474 11.544 1.00 60.10 O +ATOM 510 CG2 THR C 639 14.597 8.478 10.387 1.00 55.45 C +ATOM 511 H THR C 639 13.402 12.348 10.690 1.00 0.00 H +ATOM 512 HG1 THR C 639 14.818 11.323 11.889 1.00 0.00 H +ATOM 513 N SER C 640 11.916 10.315 8.505 1.00 59.42 N +ATOM 514 CA SER C 640 10.997 9.745 7.531 1.00 60.07 C +ATOM 515 C SER C 640 11.177 10.391 6.160 1.00 58.97 C +ATOM 516 O SER C 640 11.169 9.642 5.177 1.00 60.33 O +ATOM 517 CB SER C 640 9.549 9.934 7.966 1.00 62.43 C +ATOM 518 OG SER C 640 9.343 9.238 9.188 1.00 69.53 O +ATOM 519 H SER C 640 11.544 10.854 9.240 1.00 0.00 H +ATOM 520 HG SER C 640 9.444 8.298 9.074 1.00 0.00 H +ATOM 521 N LEU C 641 11.375 11.710 6.057 1.00 56.88 N +ATOM 522 CA LEU C 641 11.619 12.351 4.785 1.00 55.95 C +ATOM 523 C LEU C 641 12.948 11.832 4.190 1.00 56.33 C +ATOM 524 O LEU C 641 13.039 11.552 2.988 1.00 55.67 O +ATOM 525 CB LEU C 641 11.658 13.879 5.006 1.00 53.81 C +ATOM 526 CG LEU C 641 11.718 14.767 3.765 1.00 52.82 C +ATOM 527 CD1 LEU C 641 10.375 14.703 3.035 1.00 52.33 C +ATOM 528 CD2 LEU C 641 12.047 16.198 4.163 1.00 50.59 C +ATOM 529 H LEU C 641 11.357 12.252 6.875 1.00 0.00 H +ATOM 530 N ILE C 642 13.988 11.612 5.019 1.00 55.99 N +ATOM 531 CA ILE C 642 15.290 11.153 4.549 1.00 55.40 C +ATOM 532 C ILE C 642 15.163 9.729 4.112 1.00 55.08 C +ATOM 533 O ILE C 642 15.740 9.343 3.115 1.00 55.36 O +ATOM 534 CB ILE C 642 16.384 11.240 5.647 1.00 54.86 C +ATOM 535 CG1 ILE C 642 16.630 12.661 6.041 1.00 53.06 C +ATOM 536 CG2 ILE C 642 17.722 10.778 5.097 1.00 57.37 C +ATOM 537 CD1 ILE C 642 17.480 12.825 7.287 1.00 48.58 C +ATOM 538 H ILE C 642 13.884 11.813 5.980 1.00 0.00 H +ATOM 539 N HIS C 643 14.415 8.904 4.785 1.00 55.14 N +ATOM 540 CA HIS C 643 14.197 7.568 4.280 1.00 56.94 C +ATOM 541 C HIS C 643 13.527 7.512 2.940 1.00 55.82 C +ATOM 542 O HIS C 643 13.928 6.699 2.100 1.00 55.49 O +ATOM 543 CB HIS C 643 13.347 6.771 5.191 1.00 63.78 C +ATOM 544 CG HIS C 643 14.340 6.051 6.088 1.00 73.07 C +ATOM 545 ND1 HIS C 643 14.544 4.739 6.144 1.00 78.26 N +ATOM 546 CD2 HIS C 643 15.193 6.704 6.938 1.00 77.77 C +ATOM 547 CE1 HIS C 643 15.501 4.583 6.998 1.00 81.50 C +ATOM 548 NE2 HIS C 643 15.885 5.758 7.472 1.00 81.84 N +ATOM 549 H HIS C 643 13.952 9.236 5.598 1.00 0.00 H +ATOM 550 HD1 HIS C 643 14.017 4.059 5.688 1.00 0.00 H +ATOM 551 HE2 HIS C 643 16.617 5.921 8.100 1.00 0.00 H +ATOM 552 N SER C 644 12.502 8.344 2.761 1.00 55.58 N +ATOM 553 CA SER C 644 11.826 8.384 1.478 1.00 54.97 C +ATOM 554 C SER C 644 12.782 8.888 0.398 1.00 53.50 C +ATOM 555 O SER C 644 12.797 8.293 -0.691 1.00 53.52 O +ATOM 556 CB SER C 644 10.644 9.369 1.377 1.00 56.29 C +ATOM 557 OG SER C 644 9.823 9.759 2.572 1.00 59.92 O +ATOM 558 H SER C 644 12.128 8.851 3.524 1.00 0.00 H +ATOM 559 HG SER C 644 9.441 8.970 2.959 1.00 0.00 H +ATOM 560 N LEU C 645 13.612 9.918 0.673 1.00 51.33 N +ATOM 561 CA LEU C 645 14.485 10.438 -0.351 1.00 48.71 C +ATOM 562 C LEU C 645 15.593 9.476 -0.651 1.00 48.35 C +ATOM 563 O LEU C 645 15.914 9.316 -1.820 1.00 49.33 O +ATOM 564 CB LEU C 645 15.027 11.807 0.080 1.00 45.58 C +ATOM 565 CG LEU C 645 13.979 12.903 0.305 1.00 39.61 C +ATOM 566 CD1 LEU C 645 14.665 14.149 0.710 1.00 41.30 C +ATOM 567 CD2 LEU C 645 13.200 13.183 -0.954 1.00 38.15 C +ATOM 568 H LEU C 645 13.620 10.325 1.566 1.00 0.00 H +ATOM 569 N ILE C 646 16.114 8.734 0.334 1.00 48.24 N +ATOM 570 CA ILE C 646 17.178 7.748 0.106 1.00 48.80 C +ATOM 571 C ILE C 646 16.595 6.620 -0.736 1.00 51.17 C +ATOM 572 O ILE C 646 17.236 6.140 -1.676 1.00 50.43 O +ATOM 573 CB ILE C 646 17.720 7.222 1.450 1.00 44.77 C +ATOM 574 CG1 ILE C 646 18.414 8.325 2.218 1.00 43.19 C +ATOM 575 CG2 ILE C 646 18.745 6.158 1.182 1.00 43.97 C +ATOM 576 CD1 ILE C 646 18.854 7.897 3.621 1.00 39.46 C +ATOM 577 H ILE C 646 15.785 8.879 1.246 1.00 0.00 H +ATOM 578 N GLU C 647 15.348 6.236 -0.482 1.00 54.35 N +ATOM 579 CA GLU C 647 14.685 5.186 -1.244 1.00 56.99 C +ATOM 580 C GLU C 647 14.377 5.647 -2.682 1.00 57.37 C +ATOM 581 O GLU C 647 14.604 4.923 -3.662 1.00 58.06 O +ATOM 582 CB GLU C 647 13.408 4.828 -0.527 1.00 62.05 C +ATOM 583 CG GLU C 647 12.691 3.564 -1.047 1.00 71.88 C +ATOM 584 CD GLU C 647 11.372 3.218 -0.346 1.00 79.96 C +ATOM 585 OE1 GLU C 647 10.947 3.931 0.578 1.00 83.26 O +ATOM 586 OE2 GLU C 647 10.766 2.217 -0.738 1.00 83.60 O +ATOM 587 H GLU C 647 14.843 6.711 0.208 1.00 0.00 H +ATOM 588 N GLU C 648 13.876 6.871 -2.874 1.00 57.16 N +ATOM 589 CA GLU C 648 13.588 7.431 -4.178 1.00 57.13 C +ATOM 590 C GLU C 648 14.863 7.517 -4.984 1.00 55.73 C +ATOM 591 O GLU C 648 14.864 7.188 -6.175 1.00 55.55 O +ATOM 592 CB GLU C 648 13.051 8.796 -4.039 1.00 62.05 C +ATOM 593 CG GLU C 648 12.503 9.437 -5.318 1.00 74.11 C +ATOM 594 CD GLU C 648 11.969 10.872 -5.126 1.00 85.94 C +ATOM 595 OE1 GLU C 648 11.991 11.409 -4.008 1.00 91.79 O +ATOM 596 OE2 GLU C 648 11.521 11.471 -6.110 1.00 88.20 O +ATOM 597 H GLU C 648 13.711 7.409 -2.074 1.00 0.00 H +ATOM 598 N SER C 649 15.950 7.961 -4.364 1.00 54.84 N +ATOM 599 CA SER C 649 17.251 8.032 -4.994 1.00 53.47 C +ATOM 600 C SER C 649 17.811 6.694 -5.403 1.00 52.80 C +ATOM 601 O SER C 649 18.368 6.564 -6.482 1.00 53.07 O +ATOM 602 CB SER C 649 18.191 8.704 -4.055 1.00 52.08 C +ATOM 603 OG SER C 649 17.841 10.043 -3.742 1.00 48.93 O +ATOM 604 H SER C 649 15.881 8.274 -3.436 1.00 0.00 H +ATOM 605 HG SER C 649 17.888 10.547 -4.561 1.00 0.00 H +ATOM 606 N GLN C 650 17.622 5.684 -4.563 1.00 52.79 N +ATOM 607 CA GLN C 650 17.985 4.285 -4.808 1.00 53.64 C +ATOM 608 C GLN C 650 17.303 3.776 -6.071 1.00 53.04 C +ATOM 609 O GLN C 650 17.951 3.085 -6.882 1.00 54.05 O +ATOM 610 CB GLN C 650 17.547 3.387 -3.634 1.00 56.65 C +ATOM 611 CG GLN C 650 18.565 2.745 -2.685 1.00 62.17 C +ATOM 612 CD GLN C 650 17.982 2.264 -1.334 1.00 66.78 C +ATOM 613 OE1 GLN C 650 16.991 1.535 -1.224 1.00 69.78 O +ATOM 614 NE2 GLN C 650 18.538 2.637 -0.192 1.00 67.82 N +ATOM 615 H GLN C 650 17.260 5.899 -3.670 1.00 0.00 H +ATOM 616 HE21 GLN C 650 18.083 2.295 0.609 1.00 0.00 H +ATOM 617 HE22 GLN C 650 19.324 3.204 -0.193 1.00 0.00 H +ATOM 618 N ASN C 651 16.035 4.183 -6.268 1.00 51.27 N +ATOM 619 CA ASN C 651 15.261 3.761 -7.435 1.00 49.91 C +ATOM 620 C ASN C 651 15.708 4.500 -8.681 1.00 48.34 C +ATOM 621 O ASN C 651 15.988 3.912 -9.726 1.00 47.51 O +ATOM 622 CB ASN C 651 13.776 4.018 -7.246 1.00 49.79 C +ATOM 623 CG ASN C 651 13.276 3.154 -6.125 1.00 53.41 C +ATOM 624 OD1 ASN C 651 13.709 2.010 -5.961 1.00 52.64 O +ATOM 625 ND2 ASN C 651 12.418 3.728 -5.276 1.00 59.61 N +ATOM 626 H ASN C 651 15.627 4.783 -5.608 1.00 0.00 H +ATOM 627 HD21 ASN C 651 12.154 3.212 -4.475 1.00 0.00 H +ATOM 628 HD22 ASN C 651 12.157 4.647 -5.399 1.00 0.00 H +ATOM 629 N GLN C 652 15.864 5.821 -8.587 1.00 47.33 N +ATOM 630 CA GLN C 652 16.350 6.623 -9.690 1.00 47.23 C +ATOM 631 C GLN C 652 17.758 6.187 -10.002 1.00 47.47 C +ATOM 632 O GLN C 652 18.093 6.195 -11.164 1.00 48.04 O +ATOM 633 CB GLN C 652 16.307 8.040 -9.279 1.00 45.56 C +ATOM 634 CG GLN C 652 16.453 9.174 -10.302 1.00 47.99 C +ATOM 635 CD GLN C 652 15.382 9.271 -11.366 1.00 51.30 C +ATOM 636 OE1 GLN C 652 14.275 9.750 -11.134 1.00 51.42 O +ATOM 637 NE2 GLN C 652 15.688 8.915 -12.603 1.00 47.15 N +ATOM 638 H GLN C 652 15.598 6.247 -7.749 1.00 0.00 H +ATOM 639 HE21 GLN C 652 14.985 8.988 -13.303 1.00 0.00 H +ATOM 640 HE22 GLN C 652 16.588 8.582 -12.832 1.00 0.00 H +ATOM 641 N GLN C 653 18.596 5.741 -9.080 1.00 47.45 N +ATOM 642 CA GLN C 653 19.926 5.262 -9.403 1.00 49.03 C +ATOM 643 C GLN C 653 19.851 4.058 -10.322 1.00 51.89 C +ATOM 644 O GLN C 653 20.554 4.029 -11.335 1.00 52.35 O +ATOM 645 CB GLN C 653 20.669 4.856 -8.157 1.00 47.54 C +ATOM 646 CG GLN C 653 22.164 4.660 -8.449 1.00 46.28 C +ATOM 647 CD GLN C 653 22.929 5.903 -8.922 1.00 45.38 C +ATOM 648 OE1 GLN C 653 22.474 7.036 -8.956 1.00 45.74 O +ATOM 649 NE2 GLN C 653 24.191 5.913 -9.220 1.00 45.80 N +ATOM 650 H GLN C 653 18.285 5.717 -8.155 1.00 0.00 H +ATOM 651 HE21 GLN C 653 24.602 6.803 -9.348 1.00 0.00 H +ATOM 652 HE22 GLN C 653 24.738 5.108 -9.124 1.00 0.00 H +ATOM 653 N GLU C 654 18.952 3.102 -10.025 1.00 54.43 N +ATOM 654 CA GLU C 654 18.763 1.932 -10.883 1.00 55.77 C +ATOM 655 C GLU C 654 18.222 2.339 -12.253 1.00 55.11 C +ATOM 656 O GLU C 654 18.762 1.916 -13.285 1.00 55.24 O +ATOM 657 CB GLU C 654 17.815 0.928 -10.199 1.00 59.12 C +ATOM 658 CG GLU C 654 18.515 0.035 -9.155 1.00 69.14 C +ATOM 659 CD GLU C 654 17.642 -0.522 -8.002 1.00 76.48 C +ATOM 660 OE1 GLU C 654 17.220 0.245 -7.134 1.00 77.99 O +ATOM 661 OE2 GLU C 654 17.376 -1.728 -7.946 1.00 78.90 O +ATOM 662 H GLU C 654 18.388 3.228 -9.231 1.00 0.00 H +ATOM 663 N LYS C 655 17.219 3.226 -12.313 1.00 54.37 N +ATOM 664 CA LYS C 655 16.635 3.697 -13.564 1.00 54.47 C +ATOM 665 C LYS C 655 17.643 4.441 -14.445 1.00 54.88 C +ATOM 666 O LYS C 655 17.713 4.286 -15.665 1.00 54.37 O +ATOM 667 CB LYS C 655 15.456 4.583 -13.204 1.00 54.89 C +ATOM 668 CG LYS C 655 14.495 4.868 -14.361 1.00 59.61 C +ATOM 669 CD LYS C 655 13.201 5.577 -13.910 1.00 65.23 C +ATOM 670 CE LYS C 655 12.251 4.748 -13.002 1.00 68.13 C +ATOM 671 NZ LYS C 655 10.937 5.360 -12.806 1.00 69.83 N +ATOM 672 H LYS C 655 16.858 3.551 -11.458 1.00 0.00 H +ATOM 673 HZ1 LYS C 655 11.029 6.298 -12.366 1.00 0.00 H +ATOM 674 HZ2 LYS C 655 10.454 5.475 -13.724 1.00 0.00 H +ATOM 675 HZ3 LYS C 655 10.344 4.756 -12.200 1.00 0.00 H +ATOM 676 N ASN C 656 18.474 5.275 -13.838 1.00 56.18 N +ATOM 677 CA ASN C 656 19.463 6.063 -14.534 1.00 56.44 C +ATOM 678 C ASN C 656 20.510 5.128 -15.026 1.00 57.72 C +ATOM 679 O ASN C 656 20.860 5.283 -16.194 1.00 58.23 O +ATOM 680 CB ASN C 656 20.117 7.094 -13.615 1.00 56.38 C +ATOM 681 CG ASN C 656 19.142 8.214 -13.246 1.00 57.60 C +ATOM 682 OD1 ASN C 656 18.270 8.618 -14.035 1.00 59.08 O +ATOM 683 ND2 ASN C 656 19.141 8.698 -12.009 1.00 57.31 N +ATOM 684 H ASN C 656 18.353 5.436 -12.874 1.00 0.00 H +ATOM 685 HD21 ASN C 656 18.438 9.305 -11.726 1.00 0.00 H +ATOM 686 HD22 ASN C 656 19.787 8.297 -11.386 1.00 0.00 H +ATOM 687 N GLU C 657 20.960 4.129 -14.248 1.00 58.95 N +ATOM 688 CA GLU C 657 21.918 3.154 -14.752 1.00 61.26 C +ATOM 689 C GLU C 657 21.326 2.381 -15.914 1.00 62.47 C +ATOM 690 O GLU C 657 21.999 2.178 -16.920 1.00 62.52 O +ATOM 691 CB GLU C 657 22.297 2.184 -13.687 1.00 62.42 C +ATOM 692 CG GLU C 657 23.051 2.811 -12.514 1.00 65.99 C +ATOM 693 CD GLU C 657 23.410 1.852 -11.389 1.00 68.51 C +ATOM 694 OE1 GLU C 657 23.152 0.650 -11.481 1.00 72.44 O +ATOM 695 OE2 GLU C 657 23.970 2.322 -10.407 1.00 69.49 O +ATOM 696 H GLU C 657 20.656 4.056 -13.317 1.00 0.00 H +ATOM 697 N GLN C 658 20.051 1.999 -15.851 1.00 63.77 N +ATOM 698 CA GLN C 658 19.379 1.342 -16.972 1.00 64.97 C +ATOM 699 C GLN C 658 19.373 2.235 -18.211 1.00 64.88 C +ATOM 700 O GLN C 658 19.620 1.701 -19.282 1.00 64.89 O +ATOM 701 CB GLN C 658 17.908 1.040 -16.710 1.00 67.79 C +ATOM 702 CG GLN C 658 17.473 0.109 -15.580 1.00 69.56 C +ATOM 703 CD GLN C 658 15.981 0.184 -15.253 1.00 71.90 C +ATOM 704 OE1 GLN C 658 15.214 1.130 -15.491 1.00 69.19 O +ATOM 705 NE2 GLN C 658 15.580 -0.892 -14.597 1.00 73.46 N +ATOM 706 H GLN C 658 19.527 2.154 -15.036 1.00 0.00 H +ATOM 707 HE21 GLN C 658 14.637 -0.917 -14.331 1.00 0.00 H +ATOM 708 HE22 GLN C 658 16.241 -1.579 -14.383 1.00 0.00 H +ATOM 709 N GLU C 659 19.099 3.533 -18.086 1.00 64.42 N +ATOM 710 CA GLU C 659 19.001 4.408 -19.239 1.00 64.32 C +ATOM 711 C GLU C 659 20.328 4.664 -19.917 1.00 62.40 C +ATOM 712 O GLU C 659 20.389 5.040 -21.080 1.00 61.69 O +ATOM 713 CB GLU C 659 18.413 5.726 -18.809 1.00 68.95 C +ATOM 714 CG GLU C 659 18.001 6.640 -19.976 1.00 78.11 C +ATOM 715 CD GLU C 659 17.379 7.956 -19.530 1.00 86.51 C +ATOM 716 OE1 GLU C 659 17.214 8.159 -18.321 1.00 90.49 O +ATOM 717 OE2 GLU C 659 17.049 8.781 -20.388 1.00 90.41 O +ATOM 718 H GLU C 659 18.930 3.898 -17.190 1.00 0.00 H +ATOM 719 N LEU C 660 21.374 4.592 -19.120 1.00 61.04 N +ATOM 720 CA LEU C 660 22.691 4.691 -19.683 1.00 60.69 C +ATOM 721 C LEU C 660 23.036 3.531 -20.613 1.00 60.42 C +ATOM 722 O LEU C 660 23.705 3.774 -21.615 1.00 60.27 O +ATOM 723 CB LEU C 660 23.697 4.805 -18.521 1.00 60.36 C +ATOM 724 CG LEU C 660 24.642 6.019 -18.618 1.00 59.86 C +ATOM 725 CD1 LEU C 660 23.883 7.314 -18.999 1.00 64.42 C +ATOM 726 CD2 LEU C 660 25.334 6.131 -17.317 1.00 55.37 C +ATOM 727 H LEU C 660 21.231 4.584 -18.144 1.00 0.00 H +ATOM 728 N LEU C 661 22.575 2.323 -20.325 1.00 60.33 N +ATOM 729 CA LEU C 661 22.856 1.140 -21.141 1.00 60.95 C +ATOM 730 C LEU C 661 22.049 0.974 -22.446 1.00 61.99 C +ATOM 731 O LEU C 661 20.871 1.318 -22.502 1.00 60.13 O +ATOM 732 CB LEU C 661 22.646 -0.115 -20.264 1.00 59.85 C +ATOM 733 CG LEU C 661 23.452 -0.260 -18.988 1.00 57.97 C +ATOM 734 CD1 LEU C 661 23.106 -1.535 -18.261 1.00 57.79 C +ATOM 735 CD2 LEU C 661 24.896 -0.304 -19.360 1.00 54.71 C +ATOM 736 H LEU C 661 21.881 2.223 -19.630 1.00 0.00 H +TER 737 LEU C 661 +HETATM 738 O HOH N 13 14.145 18.206 2.097 1.00 57.88 O +HETATM 739 H1 HOH N 13 14.620 17.400 2.308 1.00 0.00 H +HETATM 740 H2 HOH N 13 13.290 18.116 2.522 1.00 0.00 H +HETATM 741 O HOH N 17 15.788 9.728 -7.160 1.00 65.57 O +HETATM 742 H1 HOH N 17 16.729 9.881 -7.059 1.00 0.00 H +HETATM 743 H2 HOH N 17 15.600 8.894 -6.726 1.00 0.00 H +HETATM 744 O HOH N 20 14.009 23.313 28.896 1.00 73.77 O +HETATM 745 H1 HOH N 20 14.838 23.163 28.435 1.00 0.00 H +HETATM 746 H2 HOH N 20 13.892 22.574 29.472 1.00 0.00 H +HETATM 747 O HOH N 21 13.472 10.407 -8.621 1.00 45.61 O +HETATM 748 H1 HOH N 21 13.745 10.082 -9.473 1.00 0.00 H +HETATM 749 H2 HOH N 21 14.142 10.063 -8.014 1.00 0.00 H +HETATM 750 O HOH N 22 11.244 11.155 -10.623 1.00 56.60 O +HETATM 751 H1 HOH N 22 10.350 11.480 -10.481 1.00 0.00 H +HETATM 752 H2 HOH N 22 11.708 11.979 -10.633 1.00 0.00 H +HETATM 753 O HOH N 29 16.849 14.385 -20.221 1.00 59.72 O +HETATM 754 H1 HOH N 29 16.623 13.960 -19.443 1.00 0.00 H +HETATM 755 H2 HOH N 29 16.025 14.098 -20.716 1.00 0.00 H +HETATM 756 O HOH N 30 23.359 25.370 14.837 1.00 57.74 O +HETATM 757 H1 HOH N 30 23.884 26.063 14.430 1.00 0.00 H +HETATM 758 H2 HOH N 30 23.387 25.608 15.758 1.00 0.00 H +HETATM 759 O HOH N 31 17.498 22.874 16.925 1.00 93.45 O +HETATM 760 H1 HOH N 31 17.242 23.753 16.701 1.00 0.00 H +HETATM 761 H2 HOH N 31 16.839 22.592 17.567 1.00 0.00 H +HETATM 762 O HOH N 32 20.348 23.693 23.117 1.00 63.40 O +HETATM 763 H1 HOH N 32 21.038 23.780 23.785 1.00 0.00 H +HETATM 764 H2 HOH N 32 20.407 22.764 22.840 1.00 0.00 H +HETATM 765 O HOH N 33 26.302 25.733 28.760 1.00 74.83 O +HETATM 766 H1 HOH N 33 26.307 26.586 28.361 1.00 0.00 H +HETATM 767 H2 HOH N 33 25.982 25.835 29.661 1.00 0.00 H +HETATM 768 O HOH N 34 25.950 24.779 25.047 1.00 73.62 O +HETATM 769 H1 HOH N 34 26.734 24.588 25.612 1.00 0.00 H +HETATM 770 H2 HOH N 34 26.332 25.366 24.401 1.00 0.00 H +HETATM 771 O HOH N 35 11.696 17.842 0.575 1.00 63.54 O +HETATM 772 H1 HOH N 35 12.559 17.505 0.750 1.00 0.00 H +HETATM 773 H2 HOH N 35 11.078 17.126 0.562 1.00 0.00 H +HETATM 774 O HOH N 36 14.262 19.203 4.844 1.00 48.44 O +HETATM 775 H1 HOH N 36 13.591 19.435 5.469 1.00 0.00 H +HETATM 776 H2 HOH N 36 15.124 19.290 5.226 1.00 0.00 H +HETATM 777 O HOH N 37 15.984 22.052 -2.490 1.00 62.80 O +HETATM 778 H1 HOH N 37 15.327 21.946 -3.200 1.00 0.00 H +HETATM 779 H2 HOH N 37 15.529 21.751 -1.706 1.00 0.00 H +HETATM 780 O HOH N 38 16.135 20.908 -5.213 1.00 82.35 O +HETATM 781 H1 HOH N 38 16.482 20.062 -4.835 1.00 0.00 H +HETATM 782 H2 HOH N 38 15.378 20.538 -5.665 1.00 0.00 H +HETATM 783 O HOH N 40 9.077 12.911 -2.911 1.00 64.88 O +HETATM 784 H1 HOH N 40 8.184 13.199 -3.064 1.00 0.00 H +HETATM 785 H2 HOH N 40 9.394 12.597 -3.765 1.00 0.00 H +HETATM 786 O HOH C 1 20.374 11.213 -18.121 1.00 71.66 O +HETATM 787 H1 HOH C 1 20.431 10.325 -18.535 1.00 0.00 H +HETATM 788 H2 HOH C 1 19.472 11.248 -17.822 1.00 0.00 H +HETATM 789 O HOH C 2 21.271 8.706 -17.797 1.00 41.79 O +HETATM 790 H1 HOH C 2 21.310 7.838 -17.376 1.00 0.00 H +HETATM 791 H2 HOH C 2 22.207 8.971 -17.787 1.00 0.00 H +HETATM 792 O HOH C 3 20.650 1.729 -6.022 1.00 46.90 O +HETATM 793 H1 HOH C 3 19.744 1.986 -6.245 1.00 0.00 H +HETATM 794 H2 HOH C 3 21.074 2.571 -5.777 1.00 0.00 H +HETATM 795 O HOH C 4 22.303 1.121 -8.408 1.00 60.62 O +HETATM 796 H1 HOH C 4 22.825 1.923 -8.306 1.00 0.00 H +HETATM 797 H2 HOH C 4 21.811 1.091 -7.565 1.00 0.00 H +HETATM 798 O HOH C 5 12.657 5.253 8.200 1.00 56.12 O +HETATM 799 H1 HOH C 5 12.382 4.344 8.353 1.00 0.00 H +HETATM 800 H2 HOH C 5 11.869 5.752 8.457 1.00 0.00 H +HETATM 801 O HOH C 6 9.078 18.813 26.094 1.00 49.33 O +HETATM 802 H1 HOH C 6 9.131 17.970 25.664 1.00 0.00 H +HETATM 803 H2 HOH C 6 9.244 19.463 25.419 1.00 0.00 H +HETATM 804 O HOH C 7 7.670 21.185 11.788 1.00 53.95 O +HETATM 805 H1 HOH C 7 7.025 21.036 12.470 1.00 0.00 H +HETATM 806 H2 HOH C 7 8.510 21.265 12.230 1.00 0.00 H +HETATM 807 O HOH C 8 8.303 19.620 23.607 1.00 92.51 O +HETATM 808 H1 HOH C 8 8.399 18.988 22.917 1.00 0.00 H +HETATM 809 H2 HOH C 8 9.047 20.193 23.630 1.00 0.00 H +HETATM 810 O HOH C 9 14.426 18.177 16.971 1.00 91.64 O +HETATM 811 H1 HOH C 9 15.010 18.890 16.831 1.00 0.00 H +HETATM 812 H2 HOH C 9 13.573 18.570 17.105 1.00 0.00 H +HETATM 813 O HOH C 10 6.660 18.291 14.901 1.00 47.78 O +HETATM 814 H1 HOH C 10 6.912 18.615 14.042 1.00 0.00 H +HETATM 815 H2 HOH C 10 7.036 18.893 15.527 1.00 0.00 H +HETATM 816 O HOH C 11 9.801 17.869 7.746 1.00 50.95 O +HETATM 817 H1 HOH C 11 9.411 16.994 7.627 1.00 0.00 H +HETATM 818 H2 HOH C 11 10.574 17.739 8.259 1.00 0.00 H +HETATM 819 O HOH C 12 7.790 15.753 8.005 1.00 53.41 O +HETATM 820 H1 HOH C 12 7.613 15.541 8.927 1.00 0.00 H +HETATM 821 H2 HOH C 12 8.562 15.235 7.778 1.00 0.00 H +HETATM 822 O HOH C 14 12.314 6.447 -8.867 1.00 65.60 O +HETATM 823 H1 HOH C 14 12.737 7.223 -9.273 1.00 0.00 H +HETATM 824 H2 HOH C 14 12.746 6.378 -8.026 1.00 0.00 H +HETATM 825 O HOH C 15 21.545 -1.804 -13.790 1.00 49.07 O +HETATM 826 H1 HOH C 15 21.496 -2.647 -14.243 1.00 0.00 H +HETATM 827 H2 HOH C 15 20.714 -1.364 -13.979 1.00 0.00 H +HETATM 828 O HOH C 16 22.569 8.158 -11.409 1.00 46.71 O +HETATM 829 H1 HOH C 16 22.403 7.556 -10.690 1.00 0.00 H +HETATM 830 H2 HOH C 16 22.970 8.920 -10.966 1.00 0.00 H +HETATM 831 O HOH C 18 7.205 11.385 12.307 1.00 55.74 O +HETATM 832 H1 HOH C 18 8.081 11.402 11.900 1.00 0.00 H +HETATM 833 H2 HOH C 18 6.937 12.318 12.282 1.00 0.00 H +HETATM 834 O HOH C 19 9.847 10.295 -2.390 1.00 38.62 O +HETATM 835 H1 HOH C 19 8.917 10.375 -2.193 1.00 0.00 H +HETATM 836 H2 HOH C 19 10.216 9.724 -1.732 1.00 0.00 H +HETATM 837 O HOH C 23 4.167 17.232 14.430 1.00 59.26 O +HETATM 838 H1 HOH C 23 3.234 17.266 14.255 1.00 0.00 H +HETATM 839 H2 HOH C 23 4.325 17.835 15.160 1.00 0.00 H +HETATM 840 O HOH C 24 7.289 13.019 7.362 1.00 59.36 O +HETATM 841 H1 HOH C 24 6.985 13.870 7.006 1.00 0.00 H +HETATM 842 H2 HOH C 24 6.571 12.413 7.174 1.00 0.00 H +HETATM 843 O HOH C 25 7.898 10.616 4.187 1.00 53.34 O +HETATM 844 H1 HOH C 25 8.656 10.430 4.750 1.00 0.00 H +HETATM 845 H2 HOH C 25 8.245 10.424 3.311 1.00 0.00 H +HETATM 846 O HOH C 26 18.700 5.086 6.487 1.00 58.77 O +HETATM 847 H1 HOH C 26 19.339 4.385 6.621 1.00 0.00 H +HETATM 848 H2 HOH C 26 18.262 5.154 7.320 1.00 0.00 H +HETATM 849 O HOH C 27 14.706 8.287 -15.323 1.00 71.36 O +HETATM 850 H1 HOH C 27 13.983 8.106 -15.937 1.00 0.00 H +HETATM 851 H2 HOH C 27 15.493 8.205 -15.863 1.00 0.00 H +HETATM 852 O HOH C 28 17.583 10.761 -18.187 1.00 49.62 O +HETATM 853 H1 HOH C 28 17.448 10.166 -18.942 1.00 0.00 H +HETATM 854 H2 HOH C 28 17.684 10.091 -17.473 1.00 0.00 H +HETATM 855 O HOH C 39 10.937 6.573 -6.161 1.00 63.06 O +HETATM 856 H1 HOH C 39 11.244 5.996 -5.478 1.00 0.00 H +HETATM 857 H2 HOH C 39 11.691 7.003 -6.564 1.00 0.00 H +HETATM 858 O HOH C 41 13.272 7.391 13.889 1.00 65.83 O +HETATM 859 H1 HOH C 41 13.766 6.842 13.286 1.00 0.00 H +HETATM 860 H2 HOH C 41 13.421 8.306 13.606 1.00 0.00 H +HETATM 861 O HOH C 42 6.871 10.837 16.390 1.00 58.39 O +HETATM 862 H1 HOH C 42 6.258 11.055 15.679 1.00 0.00 H +HETATM 863 H2 HOH C 42 7.611 11.410 16.223 1.00 0.00 H +HETATM 864 O HOH C 43 14.184 12.148 23.463 1.00 73.66 O +HETATM 865 H1 HOH C 43 14.543 11.552 22.797 1.00 0.00 H +HETATM 866 H2 HOH C 43 13.316 12.368 23.168 1.00 0.00 H +CONECT 1 2 3 4 +CONECT 2 1 +CONECT 3 1 +CONECT 4 1 +CONECT 369 370 371 372 +CONECT 370 369 +CONECT 371 369 +CONECT 372 369 +MASTER 280 0 2 2 0 0 0 6 637 2 8 6 +END
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/coarseab.pdb Thu May 16 11:27:07 2019 -0400 @@ -0,0 +1,556 @@ +ATOM 372 N TRP C 628 11.939 18.567 24.754 14.007 -0.428 +ATOM 373 CA TRP C 628 12.345 17.262 24.249 12.011 -0.020 +ATOM 374 C TRP C 628 11.305 16.438 23.468 12.011 0.584 +ATOM 375 O TRP C 628 11.646 15.639 22.589 15.999 -0.495 +ATOM 376 CB TRP C 628 12.905 16.491 25.449 12.011 -0.098 +ATOM 377 CG TRP C 628 14.324 16.987 25.710 12.011 -0.100 +ATOM 378 CD1 TRP C 628 14.560 17.945 26.654 12.011 -0.174 +ATOM 379 CD2 TRP C 628 15.466 16.576 25.059 12.011 0.090 +ATOM 380 NE1 TRP C 628 15.852 18.149 26.605 14.007 -0.298 +ATOM 381 CE2 TRP C 628 16.442 17.360 25.680 12.011 0.142 +ATOM 382 CE3 TRP C 628 15.833 15.676 24.060 12.011 -0.154 +ATOM 383 CZ2 TRP C 628 17.793 17.256 25.297 12.011 -0.211 +ATOM 384 CZ3 TRP C 628 17.180 15.570 23.699 12.011 -0.164 +ATOM 385 CH2 TRP C 628 18.158 16.350 24.304 12.011 -0.133 +ATOM 387 HE1 TRP C 628 16.338 18.759 27.208 1.008 0.322 +ATOM 388 N MET C 629 9.992 16.635 23.651 14.007 -0.395 +ATOM 389 CA MET C 629 9.041 15.870 22.852 12.011 -0.088 +ATOM 390 C MET C 629 8.978 16.434 21.441 12.011 0.600 +ATOM 391 O MET C 629 8.878 15.698 20.450 15.999 -0.566 +ATOM 392 CB MET C 629 7.644 15.848 23.489 12.011 0.019 +ATOM 393 CG MET C 629 7.364 16.823 24.657 12.011 -0.208 +ATOM 394 SD MET C 629 6.220 16.291 25.948 32.060 -0.212 +ATOM 397 N GLU C 630 9.151 17.749 21.302 14.007 -0.423 +ATOM 398 CA GLU C 630 9.179 18.350 19.990 12.011 0.032 +ATOM 399 C GLU C 630 10.391 17.903 19.195 12.011 0.470 +ATOM 400 O GLU C 630 10.317 17.666 17.988 15.999 -0.593 +ATOM 401 CB GLU C 630 9.192 19.876 20.063 12.011 0.075 +ATOM 402 CG GLU C 630 9.263 20.558 18.693 12.011 -0.034 +ATOM 403 CD GLU C 630 8.214 20.271 17.616 12.011 0.765 +ATOM 404 OE1 GLU C 630 7.325 19.430 17.788 15.999 -0.824 +ATOM 405 OE2 GLU C 630 8.304 20.921 16.577 15.999 -0.824 +ATOM 407 N TRP C 631 11.517 17.795 19.893 14.007 -0.428 +ATOM 408 CA TRP C 631 12.758 17.353 19.309 12.011 -0.020 +ATOM 409 C TRP C 631 12.541 15.931 18.819 12.011 0.584 +ATOM 410 O TRP C 631 12.869 15.598 17.708 15.999 -0.495 +ATOM 411 CB TRP C 631 13.836 17.478 20.395 12.011 -0.098 +ATOM 412 CG TRP C 631 15.206 16.925 19.960 12.011 -0.100 +ATOM 413 CD1 TRP C 631 16.103 17.708 19.291 12.011 -0.174 +ATOM 414 CD2 TRP C 631 15.644 15.637 20.169 12.011 0.090 +ATOM 415 NE1 TRP C 631 17.137 16.928 19.120 14.007 -0.298 +ATOM 416 CE2 TRP C 631 16.924 15.687 19.621 12.011 0.142 +ATOM 417 CE3 TRP C 631 15.169 14.490 20.782 12.011 -0.154 +ATOM 418 CZ2 TRP C 631 17.755 14.558 19.662 12.011 -0.211 +ATOM 419 CZ3 TRP C 631 15.995 13.360 20.809 12.011 -0.164 +ATOM 420 CH2 TRP C 631 17.274 13.377 20.242 12.011 -0.133 +ATOM 422 HE1 TRP C 631 17.965 17.239 18.688 1.008 0.322 +ATOM 423 N ASP C 632 11.873 15.089 19.562 14.007 -0.558 +ATOM 424 CA ASP C 632 11.600 13.733 19.160 12.011 0.007 +ATOM 425 C ASP C 632 10.784 13.653 17.877 12.011 0.443 +ATOM 426 O ASP C 632 11.049 12.839 16.989 15.999 -0.501 +ATOM 427 CB ASP C 632 10.801 13.059 20.184 12.011 -0.048 +ATOM 428 CG ASP C 632 11.553 11.867 20.759 12.011 0.745 +ATOM 429 OD1 ASP C 632 11.763 10.875 20.036 15.999 -0.730 +ATOM 430 OD2 ASP C 632 11.864 12.009 21.934 15.999 -0.730 +ATOM 432 N ARG C 633 9.741 14.481 17.788 14.007 -0.301 +ATOM 433 CA ARG C 633 8.846 14.452 16.645 12.011 -0.131 +ATOM 434 C ARG C 633 9.628 15.030 15.464 12.011 0.730 +ATOM 435 O ARG C 633 9.583 14.449 14.377 15.999 -0.578 +ATOM 436 CB ARG C 633 7.586 15.329 16.804 12.011 -0.037 +ATOM 437 CG ARG C 633 6.473 15.063 17.832 12.011 0.012 +ATOM 449 N GLU C 634 10.397 16.100 15.645 14.007 -0.423 +ATOM 450 CA GLU C 634 11.159 16.676 14.569 12.011 0.032 +ATOM 451 C GLU C 634 12.229 15.727 14.081 12.011 0.470 +ATOM 452 O GLU C 634 12.486 15.655 12.877 15.999 -0.593 +ATOM 453 CB GLU C 634 11.823 17.935 14.998 12.011 0.075 +ATOM 454 CG GLU C 634 10.784 19.053 14.903 12.011 -0.034 +ATOM 455 CD GLU C 634 11.401 20.433 14.751 12.011 0.765 +ATOM 456 OE1 GLU C 634 12.353 20.598 13.977 15.999 -0.824 +ATOM 457 OE2 GLU C 634 10.902 21.363 15.384 15.999 -0.824 +ATOM 459 N ILE C 635 12.783 14.913 14.993 14.007 -0.451 +ATOM 460 CA ILE C 635 13.782 13.906 14.663 12.011 -0.102 +ATOM 461 C ILE C 635 13.110 12.816 13.854 12.011 0.569 +ATOM 462 O ILE C 635 13.714 12.292 12.927 15.999 -0.620 +ATOM 463 CB ILE C 635 14.429 13.299 15.953 12.011 0.062 +ATOM 464 CG1 ILE C 635 15.236 14.321 16.698 12.011 0.022 +ATOM 465 CG2 ILE C 635 15.388 12.182 15.569 12.011 -0.130 +ATOM 466 CD1 ILE C 635 16.358 14.961 15.927 12.011 -0.101 +ATOM 468 N ASN C 636 11.854 12.452 14.086 14.007 -0.430 +ATOM 469 CA ASN C 636 11.273 11.345 13.347 12.011 0.045 +ATOM 470 C ASN C 636 10.775 11.849 12.030 12.011 0.617 +ATOM 471 O ASN C 636 10.926 11.176 11.020 15.999 -0.524 +ATOM 472 CB ASN C 636 10.132 10.719 14.134 12.011 -0.094 +ATOM 473 CG ASN C 636 10.632 10.044 15.400 12.011 0.584 +ATOM 474 OD1 ASN C 636 11.698 9.427 15.428 15.999 -0.527 +ATOM 475 ND2 ASN C 636 9.938 10.198 16.516 14.007 -0.782 +ATOM 479 N ASN C 637 10.278 13.076 12.015 14.007 -0.430 +ATOM 480 CA ASN C 637 9.779 13.751 10.816 12.011 0.045 +ATOM 481 C ASN C 637 10.834 13.839 9.723 12.011 0.617 +ATOM 482 O ASN C 637 10.585 13.594 8.538 15.999 -0.524 +ATOM 483 CB ASN C 637 9.383 15.219 11.029 12.011 -0.094 +ATOM 484 CG ASN C 637 8.112 15.513 11.887 12.011 0.584 +ATOM 485 OD1 ASN C 637 7.302 14.605 12.111 15.999 -0.527 +ATOM 486 ND2 ASN C 637 7.948 16.748 12.355 14.007 -0.782 +ATOM 490 N TYR C 638 12.033 14.300 10.102 14.007 -0.488 +ATOM 491 CA TYR C 638 13.127 14.392 9.169 12.011 0.010 +ATOM 492 C TYR C 638 13.679 13.029 8.854 12.011 0.622 +ATOM 493 O TYR C 638 14.008 12.788 7.698 15.999 -0.527 +ATOM 494 CB TYR C 638 14.165 15.327 9.774 12.011 -0.052 +ATOM 495 CG TYR C 638 13.667 16.749 9.673 12.011 0.113 +ATOM 496 CD1 TYR C 638 13.303 17.225 8.418 12.011 -0.183 +ATOM 497 CD2 TYR C 638 13.521 17.567 10.800 12.011 -0.183 +ATOM 498 CE1 TYR C 638 12.850 18.517 8.256 12.011 -0.182 +ATOM 499 CE2 TYR C 638 13.091 18.900 10.637 12.011 -0.182 +ATOM 500 CZ TYR C 638 12.738 19.343 9.354 12.011 0.206 +ATOM 501 OH TYR C 638 12.451 20.666 9.088 15.999 -0.421 +ATOM 503 HH TYR C 638 12.351 20.876 8.165 1.008 0.330 +ATOM 504 N THR C 639 13.706 12.108 9.796 14.007 -0.245 +ATOM 505 CA THR C 639 14.134 10.771 9.461 12.011 -0.271 +ATOM 506 C THR C 639 13.232 10.085 8.424 12.011 0.560 +ATOM 507 O THR C 639 13.725 9.331 7.554 15.999 -0.552 +ATOM 508 CB THR C 639 14.163 9.904 10.683 12.011 0.238 +ATOM 509 OG1 THR C 639 15.110 10.474 11.544 15.999 -0.602 +ATOM 510 CG2 THR C 639 14.597 8.478 10.387 12.011 -0.176 +ATOM 512 HG1 THR C 639 14.818 11.323 11.889 1.008 0.405 +ATOM 513 N SER C 640 11.916 10.315 8.505 14.007 -0.541 +ATOM 514 CA SER C 640 10.997 9.745 7.531 12.011 0.118 +ATOM 515 C SER C 640 11.177 10.391 6.160 12.011 0.483 +ATOM 516 O SER C 640 11.169 9.642 5.177 15.999 -0.581 +ATOM 517 CB SER C 640 9.549 9.934 7.966 12.011 0.147 +ATOM 518 OG SER C 640 9.343 9.238 9.188 15.999 -0.640 +ATOM 520 HG SER C 640 9.444 8.298 9.074 1.008 0.446 +ATOM 521 N LEU C 641 11.375 11.710 6.057 14.007 -0.355 +ATOM 522 CA LEU C 641 11.619 12.351 4.785 12.011 -0.101 +ATOM 523 C LEU C 641 12.948 11.832 4.190 12.011 0.573 +ATOM 524 O LEU C 641 13.039 11.552 2.988 15.999 -0.558 +ATOM 525 CB LEU C 641 11.658 13.879 5.006 12.011 -0.144 +ATOM 526 CG LEU C 641 11.718 14.767 3.765 12.011 0.192 +ATOM 527 CD1 LEU C 641 10.375 14.703 3.035 12.011 -0.123 +ATOM 528 CD2 LEU C 641 12.047 16.198 4.163 12.011 -0.123 +ATOM 530 N ILE C 642 13.988 11.612 5.019 14.007 -0.451 +ATOM 531 CA ILE C 642 15.290 11.153 4.549 12.011 -0.102 +ATOM 532 C ILE C 642 15.163 9.729 4.112 12.011 0.569 +ATOM 533 O ILE C 642 15.740 9.343 3.115 15.999 -0.620 +ATOM 534 CB ILE C 642 16.384 11.240 5.647 12.011 0.062 +ATOM 535 CG1 ILE C 642 16.630 12.661 6.041 12.011 0.022 +ATOM 536 CG2 ILE C 642 17.722 10.778 5.097 12.011 -0.130 +ATOM 537 CD1 ILE C 642 17.480 12.825 7.287 12.011 -0.101 +ATOM 539 N HIS C 643 14.415 8.904 4.785 14.007 -0.528 +ATOM 540 CA HIS C 643 14.197 7.568 4.280 12.011 0.031 +ATOM 541 C HIS C 643 13.527 7.512 2.940 12.011 0.662 +ATOM 542 O HIS C 643 13.928 6.699 2.100 15.999 -0.529 +ATOM 543 CB HIS C 643 13.347 6.771 5.191 12.011 -0.152 +ATOM 544 CG HIS C 643 14.340 6.051 6.088 12.011 0.278 +ATOM 545 ND1 HIS C 643 14.544 4.739 6.144 14.007 -0.423 +ATOM 546 CD2 HIS C 643 15.193 6.704 6.938 12.011 -0.298 +ATOM 547 CE1 HIS C 643 15.501 4.583 6.998 12.011 0.026 +ATOM 548 NE2 HIS C 643 15.885 5.758 7.472 14.007 -0.098 +ATOM 552 N SER C 644 12.502 8.344 2.761 14.007 -0.541 +ATOM 553 CA SER C 644 11.826 8.384 1.478 12.011 0.118 +ATOM 554 C SER C 644 12.782 8.888 0.398 12.011 0.483 +ATOM 555 O SER C 644 12.797 8.293 -0.691 15.999 -0.581 +ATOM 556 CB SER C 644 10.644 9.369 1.377 12.011 0.147 +ATOM 557 OG SER C 644 9.823 9.759 2.572 15.999 -0.640 +ATOM 559 HG SER C 644 9.441 8.970 2.959 1.008 0.446 +ATOM 560 N LEU C 645 13.612 9.918 0.673 14.007 -0.355 +ATOM 561 CA LEU C 645 14.485 10.438 -0.351 12.011 -0.101 +ATOM 562 C LEU C 645 15.593 9.476 -0.651 12.011 0.573 +ATOM 563 O LEU C 645 15.914 9.316 -1.820 15.999 -0.558 +ATOM 564 CB LEU C 645 15.027 11.807 0.080 12.011 -0.144 +ATOM 565 CG LEU C 645 13.979 12.903 0.305 12.011 0.192 +ATOM 566 CD1 LEU C 645 14.665 14.149 0.710 12.011 -0.123 +ATOM 567 CD2 LEU C 645 13.200 13.183 -0.954 12.011 -0.123 +ATOM 569 N ILE C 646 16.114 8.734 0.334 14.007 -0.451 +ATOM 570 CA ILE C 646 17.178 7.748 0.106 12.011 -0.102 +ATOM 571 C ILE C 646 16.595 6.620 -0.736 12.011 0.569 +ATOM 572 O ILE C 646 17.236 6.140 -1.676 15.999 -0.620 +ATOM 573 CB ILE C 646 17.720 7.222 1.450 12.011 0.062 +ATOM 574 CG1 ILE C 646 18.414 8.325 2.218 12.011 0.022 +ATOM 575 CG2 ILE C 646 18.745 6.158 1.182 12.011 -0.130 +ATOM 576 CD1 ILE C 646 18.854 7.897 3.621 12.011 -0.101 +ATOM 578 N GLU C 647 15.348 6.236 -0.482 14.007 -0.423 +ATOM 579 CA GLU C 647 14.685 5.186 -1.244 12.011 0.032 +ATOM 580 C GLU C 647 14.377 5.647 -2.682 12.011 0.470 +ATOM 581 O GLU C 647 14.604 4.923 -3.662 15.999 -0.593 +ATOM 582 CB GLU C 647 13.408 4.828 -0.527 12.011 0.075 +ATOM 588 N GLU C 648 13.876 6.871 -2.874 14.007 -0.423 +ATOM 589 CA GLU C 648 13.588 7.431 -4.178 12.011 0.032 +ATOM 590 C GLU C 648 14.863 7.517 -4.984 12.011 0.470 +ATOM 591 O GLU C 648 14.864 7.188 -6.175 15.999 -0.593 +ATOM 592 CB GLU C 648 13.051 8.796 -4.039 12.011 0.075 +ATOM 593 CG GLU C 648 12.503 9.437 -5.318 12.011 -0.034 +ATOM 594 CD GLU C 648 11.969 10.872 -5.126 12.011 0.765 +ATOM 595 OE1 GLU C 648 11.991 11.409 -4.008 15.999 -0.824 +ATOM 596 OE2 GLU C 648 11.521 11.471 -6.110 15.999 -0.824 +ATOM 598 N SER C 649 15.950 7.961 -4.364 14.007 -0.541 +ATOM 599 CA SER C 649 17.251 8.032 -4.994 12.011 0.118 +ATOM 600 C SER C 649 17.811 6.694 -5.403 12.011 0.483 +ATOM 601 O SER C 649 18.368 6.564 -6.482 15.999 -0.581 +ATOM 602 CB SER C 649 18.191 8.704 -4.055 12.011 0.147 +ATOM 603 OG SER C 649 17.841 10.043 -3.742 15.999 -0.640 +ATOM 605 HG SER C 649 17.888 10.547 -4.561 1.008 0.446 +ATOM 606 N GLN C 650 17.622 5.684 -4.563 14.007 -0.387 +ATOM 607 CA GLN C 650 17.985 4.285 -4.808 12.011 0.037 +ATOM 608 C GLN C 650 17.303 3.776 -6.071 12.011 0.419 +ATOM 609 O GLN C 650 17.951 3.085 -6.882 15.999 -0.565 +ATOM 610 CB GLN C 650 17.547 3.387 -3.634 12.011 -0.032 +ATOM 611 CG GLN C 650 18.565 2.745 -2.685 12.011 -0.020 +ATOM 612 CD GLN C 650 17.982 2.264 -1.334 12.011 0.668 +ATOM 613 OE1 GLN C 650 16.991 1.535 -1.224 15.999 -0.628 +ATOM 614 NE2 GLN C 650 18.538 2.637 -0.192 14.007 -0.883 +ATOM 618 N ASN C 651 16.035 4.183 -6.268 14.007 -0.430 +ATOM 619 CA ASN C 651 15.261 3.761 -7.435 12.011 0.045 +ATOM 620 C ASN C 651 15.708 4.500 -8.681 12.011 0.617 +ATOM 621 O ASN C 651 15.988 3.912 -9.726 15.999 -0.524 +ATOM 622 CB ASN C 651 13.776 4.018 -7.246 12.011 -0.094 +ATOM 623 CG ASN C 651 13.276 3.154 -6.125 12.011 0.584 +ATOM 624 OD1 ASN C 651 13.709 2.010 -5.961 15.999 -0.527 +ATOM 625 ND2 ASN C 651 12.418 3.728 -5.276 14.007 -0.782 +ATOM 629 N GLN C 652 15.864 5.821 -8.587 14.007 -0.387 +ATOM 630 CA GLN C 652 16.350 6.623 -9.690 12.011 0.037 +ATOM 631 C GLN C 652 17.758 6.187 -10.002 12.011 0.419 +ATOM 632 O GLN C 652 18.093 6.195 -11.164 15.999 -0.565 +ATOM 633 CB GLN C 652 16.307 8.040 -9.279 12.011 -0.032 +ATOM 634 CG GLN C 652 16.453 9.174 -10.302 12.011 -0.020 +ATOM 635 CD GLN C 652 15.382 9.271 -11.366 12.011 0.668 +ATOM 636 OE1 GLN C 652 14.275 9.750 -11.134 15.999 -0.628 +ATOM 637 NE2 GLN C 652 15.688 8.915 -12.603 14.007 -0.883 +ATOM 641 N GLN C 653 18.596 5.741 -9.080 14.007 -0.387 +ATOM 642 CA GLN C 653 19.926 5.262 -9.403 12.011 0.037 +ATOM 643 C GLN C 653 19.851 4.058 -10.322 12.011 0.419 +ATOM 644 O GLN C 653 20.554 4.029 -11.335 15.999 -0.565 +ATOM 645 CB GLN C 653 20.669 4.856 -8.157 12.011 -0.032 +ATOM 646 CG GLN C 653 22.164 4.660 -8.449 12.011 -0.020 +ATOM 647 CD GLN C 653 22.929 5.903 -8.922 12.011 0.668 +ATOM 648 OE1 GLN C 653 22.474 7.036 -8.956 15.999 -0.628 +ATOM 649 NE2 GLN C 653 24.191 5.913 -9.220 14.007 -0.883 +ATOM 653 N GLU C 654 18.952 3.102 -10.025 14.007 -0.423 +ATOM 654 CA GLU C 654 18.763 1.932 -10.883 12.011 0.032 +ATOM 655 C GLU C 654 18.222 2.339 -12.253 12.011 0.470 +ATOM 656 O GLU C 654 18.762 1.916 -13.285 15.999 -0.593 +ATOM 657 CB GLU C 654 17.815 0.928 -10.199 12.011 0.075 +ATOM 658 CG GLU C 654 18.515 0.035 -9.155 12.011 -0.034 +ATOM 659 CD GLU C 654 17.642 -0.522 -8.002 12.011 0.765 +ATOM 660 OE1 GLU C 654 17.220 0.245 -7.134 15.999 -0.824 +ATOM 663 N LYS C 655 17.219 3.226 -12.313 14.007 -0.436 +ATOM 664 CA LYS C 655 16.635 3.697 -13.564 12.011 -0.039 +ATOM 665 C LYS C 655 17.643 4.441 -14.445 12.011 0.725 +ATOM 666 O LYS C 655 17.713 4.286 -15.665 15.999 -0.563 +ATOM 667 CB LYS C 655 15.456 4.583 -13.204 12.011 -0.108 +ATOM 668 CG LYS C 655 14.495 4.868 -14.361 12.011 0.033 +ATOM 669 CD LYS C 655 13.201 5.577 -13.910 12.011 -0.048 +ATOM 670 CE LYS C 655 12.251 4.748 -13.002 12.011 -0.070 +ATOM 671 NZ LYS C 655 10.937 5.360 -12.806 14.007 -0.250 +ATOM 673 HZ1 LYS C 655 11.029 6.298 -12.366 1.008 0.295 +ATOM 674 HZ2 LYS C 655 10.454 5.475 -13.724 1.008 0.295 +ATOM 675 HZ3 LYS C 655 10.344 4.756 -12.200 1.008 0.295 +ATOM 676 N ASN C 656 18.474 5.275 -13.838 14.007 -0.430 +ATOM 677 CA ASN C 656 19.463 6.063 -14.534 12.011 0.045 +ATOM 678 C ASN C 656 20.510 5.128 -15.026 12.011 0.617 +ATOM 679 O ASN C 656 20.860 5.283 -16.194 15.999 -0.524 +ATOM 680 CB ASN C 656 20.117 7.094 -13.615 12.011 -0.094 +ATOM 681 CG ASN C 656 19.142 8.214 -13.246 12.011 0.584 +ATOM 682 OD1 ASN C 656 18.270 8.618 -14.035 15.999 -0.527 +ATOM 683 ND2 ASN C 656 19.141 8.698 -12.009 14.007 -0.782 +ATOM 687 N GLU C 657 20.960 4.129 -14.248 14.007 -0.423 +ATOM 688 CA GLU C 657 21.918 3.154 -14.752 12.011 0.032 +ATOM 689 C GLU C 657 21.326 2.381 -15.914 12.011 0.470 +ATOM 690 O GLU C 657 21.999 2.178 -16.920 15.999 -0.593 +ATOM 691 CB GLU C 657 22.297 2.184 -13.687 12.011 0.075 +ATOM 692 CG GLU C 657 23.051 2.811 -12.514 12.011 -0.034 +ATOM 693 CD GLU C 657 23.410 1.852 -11.389 12.011 0.765 +ATOM 694 OE1 GLU C 657 23.152 0.650 -11.481 15.999 -0.824 +ATOM 695 OE2 GLU C 657 23.970 2.322 -10.407 15.999 -0.824 +ATOM 697 N GLN C 658 20.051 1.999 -15.851 14.007 -0.387 +ATOM 699 C GLN C 658 19.373 2.235 -18.211 12.011 0.419 +ATOM 709 N GLU C 659 19.099 3.533 -18.086 14.007 -0.423 +ATOM 710 CA GLU C 659 19.001 4.408 -19.239 12.011 0.032 +ATOM 711 C GLU C 659 20.328 4.664 -19.917 12.011 0.470 +ATOM 712 O GLU C 659 20.389 5.040 -21.080 15.999 -0.593 +ATOM 713 CB GLU C 659 18.413 5.726 -18.809 12.011 0.075 +ATOM 714 CG GLU C 659 18.001 6.640 -19.976 12.011 -0.034 +ATOM 715 CD GLU C 659 17.379 7.956 -19.530 12.011 0.765 +ATOM 716 OE1 GLU C 659 17.214 8.159 -18.321 15.999 -0.824 +ATOM 717 OE2 GLU C 659 17.049 8.781 -20.388 15.999 -0.824 +ATOM 719 N LEU C 660 21.374 4.592 -19.120 14.007 -0.355 +ATOM 720 CA LEU C 660 22.691 4.691 -19.683 12.011 -0.101 +ATOM 721 C LEU C 660 23.036 3.531 -20.613 12.011 0.573 +ATOM 722 O LEU C 660 23.705 3.774 -21.615 15.999 -0.558 +ATOM 723 CB LEU C 660 23.697 4.805 -18.521 12.011 -0.144 +ATOM 724 CG LEU C 660 24.642 6.019 -18.618 12.011 0.192 +ATOM 725 CD1 LEU C 660 23.883 7.314 -18.999 12.011 -0.123 +ATOM 726 CD2 LEU C 660 25.334 6.131 -17.317 12.011 -0.123 +ATOM 728 N LEU C 661 22.575 2.323 -20.325 14.007 -0.355 +ATOM 228 O LEU N 568 19.319 18.457 18.167 15.999 -0.558 +ATOM 252 CA TRP N 571 20.448 21.354 19.916 12.011 -0.020 +ATOM 253 C TRP N 571 20.408 20.357 21.079 12.011 0.584 +ATOM 254 O TRP N 571 20.466 20.796 22.237 15.999 -0.495 +ATOM 255 CB TRP N 571 19.025 21.547 19.422 12.011 -0.098 +ATOM 256 CG TRP N 571 18.046 21.979 20.538 12.011 -0.100 +ATOM 257 CD1 TRP N 571 17.853 23.309 20.778 12.011 -0.174 +ATOM 258 CD2 TRP N 571 17.291 21.171 21.401 12.011 0.090 +ATOM 259 NE1 TRP N 571 16.991 23.361 21.767 14.007 -0.298 +ATOM 260 CE2 TRP N 571 16.630 22.132 22.175 12.011 0.142 +ATOM 261 CE3 TRP N 571 17.056 19.805 21.674 12.011 -0.154 +ATOM 262 CZ2 TRP N 571 15.742 21.753 23.189 12.011 -0.211 +ATOM 263 CZ3 TRP N 571 16.181 19.419 22.697 12.011 -0.164 +ATOM 264 CH2 TRP N 571 15.524 20.395 23.451 12.011 -0.133 +ATOM 266 HE1 TRP N 571 16.632 24.201 22.162 1.008 0.322 +ATOM 267 N GLY N 572 20.356 19.036 20.842 14.007 -0.374 +ATOM 268 CA GLY N 572 20.270 18.034 21.892 12.011 -0.129 +ATOM 269 C GLY N 572 21.532 18.044 22.719 12.011 0.581 +ATOM 270 O GLY N 572 21.491 18.102 23.948 15.999 -0.509 +ATOM 294 N GLN N 575 21.863 21.301 24.898 14.007 -0.387 +ATOM 295 CA GLN N 575 20.947 21.160 26.010 12.011 0.037 +ATOM 296 C GLN N 575 21.523 20.277 27.101 12.011 0.419 +ATOM 297 O GLN N 575 21.530 20.599 28.288 15.999 -0.565 +ATOM 298 CB GLN N 575 19.690 20.480 25.617 12.011 -0.032 +ATOM 299 CG GLN N 575 18.703 21.312 24.814 12.011 -0.020 +ATOM 300 CD GLN N 575 18.143 22.472 25.591 12.011 0.668 +ATOM 301 OE1 GLN N 575 17.537 22.387 26.656 15.999 -0.628 +ATOM 302 NE2 GLN N 575 18.305 23.636 25.024 14.007 -0.883 +ATOM 306 N LEU N 576 22.054 19.126 26.704 14.007 -0.355 +ATOM 311 CG LEU N 576 21.688 16.085 26.553 12.011 0.192 +ATOM 313 CD2 LEU N 576 20.643 15.931 27.638 12.011 -0.123 +ATOM 339 CD ARG N 579 19.487 20.222 31.726 12.011 0.126 +ATOM 340 NE ARG N 579 18.438 21.069 31.147 14.007 0.465 +ATOM 341 CZ ARG N 579 17.385 20.587 30.457 12.011 0.566 +ATOM 342 NH1 ARG N 579 17.230 19.303 30.253 14.007 -0.686 +ATOM 343 NH2 ARG N 579 16.430 21.352 29.931 14.007 -0.686 +ATOM 345 HE ARG N 579 18.509 22.039 31.265 1.008 0.120 +ATOM 226 CA LEU N 568 18.513 18.907 15.980 12.011 -0.101 +ATOM 227 C LEU N 568 19.410 18.201 16.958 12.011 0.573 +ATOM 229 CB LEU N 568 17.399 18.019 15.472 12.011 -0.144 +ATOM 232 CD2 LEU N 568 15.844 19.917 15.044 12.011 -0.123 +ATOM 312 CD1 LEU N 576 22.138 14.746 26.001 12.011 -0.123 +ATOM 231 CD1 LEU N 568 15.376 17.669 14.033 12.011 -0.123 +ATOM 230 CG LEU N 568 16.441 18.651 14.453 12.011 0.192 +ATOM 272 N ILE N 573 22.671 18.122 22.031 14.007 -0.451 +ATOM 307 CA LEU N 576 22.609 18.227 27.703 12.011 -0.101 +ATOM 310 CB LEU N 576 22.892 16.841 27.117 12.011 -0.144 +ATOM 237 O THR N 569 22.428 17.562 19.238 15.999 -0.552 +ATOM 251 N TRP N 571 21.311 20.824 18.901 14.007 -0.428 +ATOM 273 CA ILE N 573 23.986 18.156 22.666 12.011 -0.102 +ATOM 274 C ILE N 573 24.148 19.402 23.527 12.011 0.569 +ATOM 283 C LYS N 574 23.075 21.810 25.027 12.011 0.725 +ATOM 308 C LEU N 576 23.887 18.797 28.277 12.011 0.573 +ATOM 338 CG ARG N 579 20.802 20.968 31.853 12.011 0.012 +ATOM 275 O ILE N 573 24.571 19.300 24.666 15.999 -0.620 +ATOM 281 N LYS N 574 23.840 20.594 23.044 14.007 -0.436 +ATOM 284 O LYS N 574 23.456 22.221 26.103 15.999 -0.563 +ATOM 309 O LEU N 576 24.135 18.667 29.472 15.999 -0.558 +ATOM 315 N GLN N 577 24.692 19.489 27.474 14.007 -0.387 +ATOM 337 CB ARG N 579 21.939 20.093 32.368 12.011 -0.037 +ATOM 234 N THR N 569 20.343 17.385 16.474 14.007 -0.245 +ATOM 235 CA THR N 569 21.300 16.706 17.345 12.011 -0.271 +ATOM 236 C THR N 569 22.179 17.733 18.051 12.011 0.560 +ATOM 245 C VAL N 570 22.584 20.543 19.173 12.011 0.447 +ATOM 246 O VAL N 570 23.109 20.791 20.268 15.999 -0.405 +ATOM 276 CB ILE N 573 25.125 18.159 21.622 12.011 0.062 +ATOM 282 CA LYS N 574 24.001 21.819 23.817 12.011 -0.039 +ATOM 285 CB LYS N 574 23.679 23.041 22.944 12.011 -0.108 +ATOM 316 CA GLN N 577 25.921 20.110 27.929 12.011 0.037 +ATOM 327 N ALA N 578 24.584 21.997 28.775 14.007 -0.405 +ATOM 328 CA ALA N 578 24.312 23.121 29.647 12.011 -0.028 +ATOM 329 C ALA N 578 24.101 22.643 31.062 12.011 0.570 +ATOM 331 CB ALA N 578 23.056 23.840 29.207 12.011 -0.230 +ATOM 333 N ARG N 579 23.604 21.407 31.195 14.007 -0.301 +ATOM 334 CA ARG N 579 23.277 20.834 32.491 12.011 -0.131 +ATOM 357 CD1 ILE N 580 24.516 16.191 31.215 12.011 -0.101 +ATOM 243 N VAL N 570 22.568 18.851 17.411 14.007 -0.450 +ATOM 277 CG1 ILE N 573 25.094 16.885 20.810 12.011 0.022 +ATOM 216 O GLN N 567 20.379 20.878 16.165 15.999 -0.565 +ATOM 225 N LEU N 568 19.313 19.365 14.871 14.007 -0.355 +ATOM 238 CB THR N 569 22.196 15.706 16.513 12.011 0.238 +ATOM 240 CG2 THR N 569 21.367 14.574 15.887 12.011 -0.176 +ATOM 244 CA VAL N 570 23.388 19.879 18.056 12.011 -0.052 +ATOM 278 CG2 ILE N 573 26.482 18.303 22.325 12.011 -0.130 +ATOM 279 CD1 ILE N 573 26.010 16.983 19.585 12.011 -0.101 +ATOM 286 CG LYS N 574 24.626 23.233 21.776 12.011 0.033 +ATOM 317 C GLN N 577 25.672 21.245 28.915 12.011 0.419 +ATOM 319 CB GLN N 577 26.708 20.620 26.730 12.011 -0.032 +ATOM 355 CG1 ILE N 580 25.193 16.697 32.429 12.011 0.022 +ATOM 215 C GLN N 567 20.124 20.425 15.041 12.011 0.419 +ATOM 239 OG1 THR N 569 22.896 16.453 15.512 15.999 -0.602 +ATOM 242 HG1 THR N 569 22.309 16.916 14.917 1.008 0.405 +ATOM 247 CB VAL N 570 23.824 20.975 17.067 12.011 0.395 +ATOM 330 O ALA N 578 24.379 23.346 32.025 15.999 -0.555 +ATOM 335 C ARG N 579 24.297 19.924 33.116 12.011 0.730 +ATOM 350 N ILE N 580 25.362 19.713 32.371 14.007 -0.451 +ATOM 202 CD2 LEU N 565 16.843 13.988 11.920 12.011 -0.123 +ATOM 185 O HIS N 564 18.167 19.105 12.118 15.999 -0.529 +ATOM 184 C HIS N 564 18.133 18.647 10.985 12.011 0.662 +ATOM 195 N LEU N 565 18.352 17.382 10.651 14.007 -0.355 +ATOM 196 CA LEU N 565 18.728 16.389 11.627 12.011 -0.101 +ATOM 197 C LEU N 565 20.023 16.771 12.360 12.011 0.573 +ATOM 198 O LEU N 565 20.106 16.694 13.603 15.999 -0.558 +ATOM 214 CA GLN N 567 20.839 20.897 13.794 12.011 0.037 +ATOM 199 CB LEU N 565 18.955 15.028 10.980 12.011 -0.144 +ATOM 200 CG LEU N 565 17.893 13.938 10.810 12.011 0.192 +ATOM 183 CA HIS N 564 17.909 19.582 9.830 12.011 0.031 +ATOM 186 CB HIS N 564 16.508 19.405 9.372 12.011 -0.152 +ATOM 201 CD1 LEU N 565 18.612 12.580 10.876 12.011 -0.123 +ATOM 204 N LEU N 566 21.033 17.258 11.622 14.007 -0.355 +ATOM 213 N GLN N 567 21.182 19.797 12.902 14.007 -0.387 +ATOM 206 C LEU N 566 22.041 18.835 13.232 12.011 0.573 +ATOM 207 O LEU N 566 22.563 18.779 14.346 15.999 -0.558 +ATOM 217 CB GLN N 567 19.940 21.927 13.071 12.011 -0.032 +ATOM 205 CA LEU N 566 22.278 17.718 12.229 12.011 -0.101 +ATOM 218 CG GLN N 567 20.632 22.647 11.906 12.011 -0.020 +ATOM 220 OE1 GLN N 567 22.393 23.265 13.426 15.999 -0.628 +ATOM 248 CG1 VAL N 570 24.628 22.078 17.767 12.011 -0.090 +ATOM 249 CG2 VAL N 570 24.698 20.324 16.003 12.011 -0.090 +ATOM 173 O GLN N 563 20.607 19.846 9.965 15.999 -0.565 +ATOM 208 CB LEU N 566 23.299 18.205 11.144 12.011 -0.144 +ATOM 161 O GLN N 562 20.989 16.658 8.934 15.999 -0.565 +ATOM 172 C GLN N 563 20.156 19.484 8.886 12.011 0.419 +ATOM 182 N HIS N 564 18.842 19.364 8.714 14.007 -0.528 +ATOM 209 CG LEU N 566 24.223 17.163 10.521 12.011 0.192 +ATOM 211 CD2 LEU N 566 25.295 16.848 11.579 12.011 -0.123 +ATOM 219 CD GLN N 567 21.964 23.290 12.278 12.011 0.668 +ATOM 287 CD LYS N 574 24.343 24.597 21.117 12.011 -0.048 +ATOM 193 HD1 HIS N 564 14.318 19.929 7.750 1.008 0.160 +ATOM 187 CG HIS N 564 16.122 20.497 8.389 12.011 0.278 +ATOM 188 ND1 HIS N 564 15.024 20.554 7.683 14.007 -0.423 +ATOM 155 O ALA N 561 17.661 16.726 7.641 15.999 -0.555 +ATOM 189 CD2 HIS N 564 16.858 21.617 8.051 12.011 -0.298 +ATOM 190 CE1 HIS N 564 15.029 21.609 6.945 12.011 0.026 +ATOM 153 CA ALA N 561 16.886 16.905 5.362 12.011 -0.028 +ATOM 154 C ALA N 561 17.880 16.505 6.441 12.011 0.570 +ATOM 156 CB ALA N 561 16.221 15.671 4.797 12.011 -0.230 +ATOM 191 NE2 HIS N 564 16.140 22.240 7.177 14.007 -0.098 +ATOM 145 O GLU N 560 18.199 19.290 5.659 15.999 -0.593 +ATOM 152 N ALA N 561 17.605 17.606 4.311 14.007 -0.405 +ATOM 158 N GLN N 562 19.053 16.076 6.014 14.007 -0.387 +ATOM 159 CA GLN N 562 20.042 15.666 6.986 12.011 0.037 +ATOM 160 C GLN N 562 20.607 16.819 7.771 12.011 0.419 +ATOM 170 N GLN N 563 20.651 17.976 7.121 14.007 -0.387 +ATOM 162 CB GLN N 562 21.194 14.960 6.319 12.011 -0.032 +ATOM 163 CG GLN N 562 20.703 13.620 5.857 12.011 -0.020 +ATOM 171 CA GLN N 563 21.100 19.166 7.761 12.011 0.037 +ATOM 144 C GLU N 560 18.194 18.774 4.529 12.011 0.470 +ATOM 113 O ARG N 557 17.012 16.740 1.622 15.999 -0.578 +ATOM 130 O ALA N 558 19.295 14.930 3.360 15.999 -0.555 +ATOM 112 C ARG N 557 17.200 16.394 0.467 12.011 0.730 +ATOM 127 N ALA N 558 17.915 15.313 0.192 14.007 -0.405 +ATOM 128 CA ALA N 558 18.387 14.409 1.226 12.011 -0.028 +ATOM 129 C ALA N 558 19.392 15.061 2.144 12.011 0.570 +ATOM 131 CB ALA N 558 19.030 13.199 0.587 12.011 -0.230 +ATOM 135 C ILE N 559 20.614 17.708 3.169 12.011 0.569 +ATOM 136 O ILE N 559 20.961 17.946 4.334 15.999 -0.620 +ATOM 142 N GLU N 560 19.595 18.377 2.634 14.007 -0.423 +ATOM 143 CA GLU N 560 18.927 19.411 3.378 12.011 0.032 +ATOM 146 CB GLU N 560 17.950 20.139 2.504 12.011 0.075 +ATOM 164 CD GLN N 562 21.844 12.875 5.276 12.011 0.668 +ATOM 166 NE2 GLN N 562 21.828 11.590 5.556 14.007 -0.883 +ATOM 174 CB GLN N 563 21.149 20.323 6.777 12.011 -0.032 +ATOM 133 N ILE N 559 20.294 15.861 1.569 14.007 -0.451 +ATOM 165 OE1 GLN N 562 22.693 13.426 4.578 15.999 -0.628 +ATOM 111 CA ARG N 557 16.776 17.288 -0.685 12.011 -0.131 +ATOM 114 CB ARG N 557 15.457 16.809 -1.356 12.011 -0.037 +ATOM 134 CA ILE N 559 21.309 16.634 2.316 12.011 -0.102 +ATOM 175 CG GLN N 563 21.818 21.547 7.400 12.011 -0.020 +ATOM 147 CG GLU N 560 18.559 20.916 1.342 12.011 -0.034 +ATOM 148 CD GLU N 560 17.569 21.635 0.403 12.011 0.765 +ATOM 149 OE1 GLU N 560 16.353 21.580 0.624 15.999 -0.824 +ATOM 119 NH1 ARG N 557 11.397 15.396 -3.011 14.007 -0.686 +ATOM 84 O ASN N 554 17.628 13.893 -2.508 15.999 -0.524 +ATOM 110 N ARG N 557 17.823 17.292 -1.689 14.007 -0.301 +ATOM 115 CG ARG N 557 14.746 17.951 -2.111 12.011 0.012 +ATOM 116 CD ARG N 557 13.344 17.553 -2.601 12.011 0.126 +ATOM 117 NE ARG N 557 13.280 16.625 -3.751 14.007 0.465 +ATOM 118 CZ ARG N 557 12.355 15.631 -3.918 12.011 0.566 +ATOM 120 NH2 ARG N 557 12.335 14.867 -5.036 14.007 -0.686 +ATOM 82 CA ASN N 554 16.731 13.930 -4.736 12.011 0.045 +ATOM 83 C ASN N 554 17.876 13.908 -3.715 12.011 0.617 +ATOM 85 CB ASN N 554 16.534 12.538 -5.331 12.011 -0.094 +ATOM 87 OD1 ASN N 554 14.277 13.033 -5.925 15.999 -0.527 +ATOM 95 O LEU N 555 20.383 15.280 -1.272 15.999 -0.558 +ATOM 103 C LEU N 556 18.997 17.825 -1.428 12.011 0.573 +ATOM 104 O LEU N 556 19.251 18.290 -0.326 15.999 -0.558 +ATOM 122 HE ARG N 557 13.950 16.746 -4.463 1.008 0.120 +ATOM 73 O ASN N 553 16.914 16.649 -4.433 15.999 -0.524 +ATOM 81 N ASN N 554 17.005 14.883 -5.807 14.007 -0.430 +ATOM 86 CG ASN N 554 15.340 12.520 -6.239 12.011 0.584 +ATOM 92 N LEU N 555 19.125 14.034 -4.177 14.007 -0.355 +ATOM 93 CA LEU N 555 20.270 14.065 -3.310 12.011 -0.101 +ATOM 94 C LEU N 555 20.274 15.341 -2.498 12.011 0.573 +ATOM 150 OE2 GLU N 560 18.018 22.257 -0.566 15.999 -0.824 +ATOM 137 CB ILE N 559 22.333 17.310 1.315 12.011 0.062 +ATOM 138 CG1 ILE N 559 23.112 16.223 0.558 12.011 0.022 +ATOM 96 CB LEU N 555 21.556 13.984 -4.115 12.011 -0.144 +ATOM 99 CD2 LEU N 555 21.643 11.526 -4.019 12.011 -0.123 +ATOM 101 N LEU N 556 20.097 16.504 -3.139 14.007 -0.355 +ATOM 139 CG2 ILE N 559 23.294 18.213 2.061 12.011 -0.130 +ATOM 210 CD1 LEU N 566 24.767 17.627 9.151 12.011 -0.123 +ATOM 140 CD1 ILE N 559 23.944 16.723 -0.634 12.011 -0.101 +ATOM 176 CD GLN N 563 23.189 21.261 8.013 12.011 0.668 +ATOM 177 OE1 GLN N 563 23.917 20.363 7.583 15.999 -0.628 +ATOM 88 ND2 ASN N 554 15.485 12.022 -7.460 14.007 -0.782 +ATOM 53 OE1 GLN N 551 18.955 9.872 -7.134 15.999 -0.628 +ATOM 72 C ASN N 553 17.047 16.173 -5.554 12.011 0.617 +ATOM 42 NE2 GLN N 550 13.111 12.750 -9.753 14.007 -0.883 +ATOM 49 O GLN N 551 19.330 13.334 -6.868 15.999 -0.565 +ATOM 52 CD GLN N 551 19.994 9.589 -7.719 12.011 0.668 +ATOM 54 NE2 GLN N 551 20.573 8.430 -7.469 14.007 -0.883 +ATOM 97 CG LEU N 555 21.762 12.724 -4.945 12.011 0.192 +ATOM 36 C GLN N 550 16.843 13.895 -9.861 12.011 0.419 +ATOM 37 O GLN N 550 16.520 14.236 -8.736 15.999 -0.565 +ATOM 47 CA GLN N 551 18.607 12.368 -8.940 12.011 0.037 +ATOM 48 C GLN N 551 19.320 13.416 -8.092 12.011 0.419 +ATOM 51 CG GLN N 551 20.600 10.535 -8.719 12.011 -0.020 +ATOM 60 C GLN N 552 19.620 16.316 -7.096 12.011 0.419 +ATOM 61 O GLN N 552 19.987 16.732 -6.006 15.999 -0.565 +ATOM 70 N ASN N 553 18.383 16.452 -7.534 14.007 -0.430 +ATOM 71 CA ASN N 553 17.350 17.053 -6.728 12.011 0.045 +ATOM 74 CB ASN N 553 16.050 17.238 -7.509 12.011 -0.094 +ATOM 75 CG ASN N 553 15.095 18.168 -6.802 12.011 0.584 +ATOM 76 OD1 ASN N 553 15.256 18.608 -5.669 15.999 -0.527 +ATOM 98 CD1 LEU N 555 23.106 12.783 -5.687 12.011 -0.123 +ATOM 102 CA LEU N 556 20.056 17.800 -2.490 12.011 -0.101 +ATOM 105 CB LEU N 556 19.769 18.896 -3.504 12.011 -0.144 +ATOM 46 N GLN N 551 17.847 13.009 -10.014 14.007 -0.387 +ATOM 50 CB GLN N 551 19.605 11.378 -9.582 12.011 -0.032 +ATOM 58 N GLN N 552 19.874 14.445 -8.725 14.007 -0.387 +ATOM 40 CD GLN N 550 13.343 13.742 -10.585 12.011 0.668 +ATOM 59 CA GLN N 552 20.538 15.562 -8.041 12.011 0.037 +ATOM 77 ND2 ASN N 553 14.006 18.540 -7.412 14.007 -0.782 +ATOM 106 CG LEU N 556 19.826 20.327 -2.982 12.011 0.192 +ATOM 107 CD1 LEU N 556 21.227 20.634 -2.595 12.011 -0.123 +ATOM 108 CD2 LEU N 556 19.383 21.304 -4.051 12.011 -0.123 +ATOM 41 OE1 GLN N 550 13.048 14.884 -10.294 15.999 -0.628 +ATOM 15 O GLY N 547 18.147 11.667 -12.391 15.999 -0.509 +ATOM 35 CA GLN N 550 16.176 14.508 -11.109 12.011 0.037 +ATOM 38 CB GLN N 550 15.452 13.398 -11.814 12.011 -0.032 +ATOM 39 CG GLN N 550 13.929 13.475 -11.925 12.011 -0.020 +ATOM 14 C GLY N 547 18.299 11.783 -13.596 12.011 0.581 +ATOM 13 CA GLY N 547 17.202 11.414 -14.570 12.011 -0.129 +ATOM 17 N ILE N 548 19.399 12.280 -14.145 14.007 -0.451 +ATOM 34 N GLN N 550 17.187 15.030 -12.001 14.007 -0.387 +ATOM 29 O VAL N 549 17.992 16.598 -10.674 15.999 -0.405 +ATOM 28 C VAL N 549 18.036 15.977 -11.726 12.011 0.447 +ATOM 7 O SER N 546 16.736 14.255 -14.615 15.999 -0.581 +ATOM 18 CA ILE N 548 20.551 12.815 -13.425 12.011 -0.102 +ATOM 19 C ILE N 548 20.218 14.116 -12.696 12.011 0.569 +ATOM 20 O ILE N 548 20.543 14.273 -11.519 15.999 -0.620 +ATOM 62 CB GLN N 552 21.115 16.542 -9.078 12.011 -0.032 +ATOM 63 CG GLN N 552 22.500 16.015 -9.433 12.011 -0.020 +ATOM 26 N VAL N 549 19.590 15.054 -13.393 14.007 -0.450 +ATOM 27 CA VAL N 549 19.093 16.291 -12.786 12.011 -0.052 +ATOM 64 CD GLN N 552 23.257 16.787 -10.486 12.011 0.668 +ATOM 12 N GLY N 547 17.181 12.316 -15.724 14.007 -0.374 +ATOM 6 C SER N 546 16.909 13.631 -15.655 12.011 0.483 +ATOM 9 OG SER N 546 15.498 12.815 -17.842 15.999 -0.640 +ATOM 21 CB ILE N 548 21.693 13.043 -14.436 12.011 0.062 +ATOM 22 CG1 ILE N 548 22.120 11.712 -15.087 12.011 0.022 +ATOM 23 CG2 ILE N 548 22.861 13.705 -13.721 12.011 -0.130 +ATOM 24 CD1 ILE N 548 23.126 11.909 -16.234 12.011 -0.101 +ATOM 4 N SER N 546 17.955 14.014 -17.827 14.007 -0.541 +ATOM 5 CA SER N 546 16.876 14.392 -16.942 12.011 0.118 +ATOM 11 HG SER N 546 15.988 12.455 -18.582 1.008 0.446 +ATOM 8 CB SER N 546 15.525 14.172 -17.546 12.011 0.147 +ATOM 30 CB VAL N 549 18.451 17.196 -13.841 12.011 0.395 +ATOM 31 CG1 VAL N 549 17.814 18.437 -13.226 12.011 -0.090 +ATOM 32 CG2 VAL N 549 19.539 17.650 -14.780 12.011 -0.090 +ATOM 65 OE1 GLN N 552 22.658 17.525 -11.260 15.999 -0.628 +ATOM 66 NE2 GLN N 552 24.575 16.670 -10.575 14.007 -0.883
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/coarsedata.txt Thu May 16 11:27:07 2019 -0400 @@ -0,0 +1,9906 @@ +TRP 628 N 372 LEU 568 O 228 0.989E+00 0.187E+00 -0.117E-02 +TRP 628 N 372 TRP 571 CA 252 0.102E+01 0.641E-02 -0.108E-02 +TRP 628 N 372 TRP 571 C 253 0.940E+00 -0.211E+00 -0.153E-02 +TRP 628 N 372 TRP 571 O 254 0.917E+00 0.186E+00 -0.185E-02 +TRP 628 N 372 TRP 571 CB 255 0.936E+00 0.357E-01 -0.178E-02 +TRP 628 N 372 TRP 571 CG 256 0.817E+00 0.455E-01 -0.356E-02 +TRP 628 N 372 TRP 571 CD1 257 0.856E+00 0.731E-01 -0.269E-02 +TRP 628 N 372 TRP 571 CD2 258 0.683E+00 -0.570E-01 -0.103E-01 +TRP 628 N 372 TRP 571 NE1 259 0.758E+00 0.155E+00 -0.683E-02 +TRP 628 N 372 TRP 571 CE2 260 0.643E+00 -0.101E+00 -0.147E-01 +TRP 628 N 372 TRP 571 CE3 261 0.610E+00 0.123E+00 -0.201E-01 +TRP 628 N 372 TRP 571 CZ2 262 0.520E+00 0.240E+00 -0.499E-01 +TRP 628 N 372 TRP 571 CZ3 263 0.479E+00 0.226E+00 -0.779E-01 +TRP 628 N 372 TRP 571 CH2 264 0.423E+00 0.250E+00 -0.142E+00 +TRP 628 N 372 TRP 571 HE1 266 0.778E+00 -0.160E+00 -0.154E-03 +TRP 628 N 372 GLY 572 N 267 0.929E+00 0.138E+00 -0.202E-02 +TRP 628 N 372 GLY 572 CA 268 0.883E+00 0.515E-01 -0.253E-02 +TRP 628 N 372 GLY 572 C 269 0.982E+00 -0.196E+00 -0.118E-02 +TRP 628 N 372 GLY 572 O 270 0.960E+00 0.178E+00 -0.141E-02 +TRP 628 N 372 GLN 575 N 294 0.103E+01 0.122E+00 -0.109E-02 +TRP 628 N 372 GLN 575 CA 295 0.946E+00 -0.132E-01 -0.167E-02 +TRP 628 N 372 GLN 575 C 296 0.100E+01 -0.138E+00 -0.105E-02 +TRP 628 N 372 GLN 575 O 297 0.104E+01 0.175E+00 -0.858E-03 +TRP 628 N 372 GLN 575 CB 298 0.803E+00 0.150E-01 -0.444E-02 +TRP 628 N 372 GLN 575 CG 299 0.730E+00 0.111E-01 -0.784E-02 +TRP 628 N 372 GLN 575 CD 300 0.738E+00 -0.365E+00 -0.652E-02 +TRP 628 N 372 GLN 575 OE1 301 0.704E+00 0.375E+00 -0.897E-02 +TRP 628 N 372 GLN 575 NE2 302 0.814E+00 0.404E+00 -0.445E-02 +TRP 628 N 372 LEU 576 N 306 0.103E+01 0.112E+00 -0.108E-02 +TRP 628 N 372 LEU 576 CG 311 0.102E+01 -0.612E-01 -0.105E-02 +TRP 628 N 372 LEU 576 CD2 313 0.954E+00 0.434E-01 -0.158E-02 +TRP 628 N 372 ARG 579 CD 339 0.104E+01 -0.391E-01 -0.940E-03 +TRP 628 N 372 ARG 579 NE 340 0.945E+00 -0.167E+00 -0.182E-02 +TRP 628 N 372 ARG 579 CZ 341 0.814E+00 -0.259E+00 -0.363E-02 +TRP 628 N 372 ARG 579 NH1 342 0.767E+00 0.349E+00 -0.637E-02 +TRP 628 N 372 ARG 579 NH2 343 0.740E+00 0.373E+00 -0.788E-02 +TRP 628 N 372 ARG 579 HE 345 0.988E+00 -0.402E-01 -0.366E-04 +TRP 628 CA 373 LEU 568 CA 226 0.104E+01 0.146E-02 -0.843E-03 +TRP 628 CA 373 LEU 568 C 227 0.102E+01 -0.856E-02 -0.865E-03 +TRP 628 CA 373 LEU 568 O 228 0.933E+00 0.953E-02 -0.154E-02 +TRP 628 CA 373 LEU 568 CB 229 0.102E+01 0.216E-02 -0.998E-03 +TRP 628 CA 373 LEU 568 CD2 232 0.102E+01 0.184E-02 -0.973E-03 +TRP 628 CA 373 TRP 571 CA 252 0.101E+01 0.305E-03 -0.106E-02 +TRP 628 CA 373 TRP 571 C 253 0.920E+00 -0.102E-01 -0.160E-02 +TRP 628 CA 373 TRP 571 O 254 0.908E+00 0.882E-02 -0.181E-02 +TRP 628 CA 373 TRP 571 CB 255 0.929E+00 0.169E-02 -0.170E-02 +TRP 628 CA 373 TRP 571 CG 256 0.828E+00 0.208E-02 -0.301E-02 +TRP 628 CA 373 TRP 571 CD1 257 0.889E+00 0.321E-02 -0.197E-02 +TRP 628 CA 373 TRP 571 CD2 258 0.692E+00 -0.260E-02 -0.875E-02 +TRP 628 CA 373 TRP 571 NE1 259 0.806E+00 0.648E-02 -0.435E-02 +TRP 628 CA 373 TRP 571 CE2 260 0.681E+00 -0.422E-02 -0.960E-02 +TRP 628 CA 373 TRP 571 CE3 261 0.594E+00 0.607E-02 -0.214E-01 +TRP 628 CA 373 TRP 571 CZ2 262 0.573E+00 0.900E-02 -0.263E-01 +TRP 628 CA 373 TRP 571 CZ3 263 0.467E+00 0.113E-01 -0.801E-01 +TRP 628 CA 373 TRP 571 CH2 264 0.453E+00 0.982E-02 -0.921E-01 +TRP 628 CA 373 TRP 571 HE1 266 0.842E+00 -0.650E-02 -0.940E-04 +TRP 628 CA 373 GLY 572 N 267 0.888E+00 0.690E-02 -0.243E-02 +TRP 628 CA 373 GLY 572 CA 268 0.830E+00 0.266E-02 -0.333E-02 +TRP 628 CA 373 GLY 572 C 269 0.935E+00 -0.990E-02 -0.146E-02 +TRP 628 CA 373 GLY 572 O 270 0.919E+00 0.890E-02 -0.169E-02 +TRP 628 CA 373 GLN 575 N 294 0.104E+01 0.565E-02 -0.967E-03 +TRP 628 CA 373 GLN 575 CA 295 0.961E+00 -0.604E-03 -0.139E-02 +TRP 628 CA 373 GLN 575 C 296 0.101E+01 -0.637E-02 -0.930E-03 +TRP 628 CA 373 GLN 575 CB 298 0.813E+00 0.685E-03 -0.377E-02 +TRP 628 CA 373 GLN 575 CG 299 0.756E+00 0.488E-03 -0.583E-02 +TRP 628 CA 373 GLN 575 CD 300 0.791E+00 -0.150E-01 -0.395E-02 +TRP 628 CA 373 GLN 575 OE1 301 0.768E+00 0.149E-01 -0.493E-02 +TRP 628 CA 373 GLN 575 NE2 302 0.876E+00 0.167E-01 -0.264E-02 +TRP 628 CA 373 LEU 576 N 306 0.102E+01 0.531E-02 -0.107E-02 +TRP 628 CA 373 LEU 576 CG 311 0.969E+00 -0.309E-02 -0.132E-02 +TRP 628 CA 373 LEU 576 CD1 312 0.103E+01 0.182E-02 -0.938E-03 +TRP 628 CA 373 LEU 576 CD2 313 0.906E+00 0.220E-02 -0.198E-02 +TRP 628 CA 373 ARG 579 NE 340 0.996E+00 -0.719E-02 -0.122E-02 +TRP 628 CA 373 ARG 579 CZ 341 0.866E+00 -0.109E-01 -0.230E-02 +TRP 628 CA 373 ARG 579 NH1 342 0.800E+00 0.151E-01 -0.452E-02 +TRP 628 CA 373 ARG 579 NH2 343 0.811E+00 0.148E-01 -0.420E-02 +TRP 628 CA 373 ARG 579 HE 345 0.105E+01 -0.172E-02 -0.251E-04 +TRP 628 C 374 LEU 568 O 228 0.982E+00 -0.257E+00 -0.101E-02 +TRP 628 C 374 LEU 568 CB 229 0.102E+01 -0.630E-01 -0.874E-03 +TRP 628 C 374 LEU 568 CD1 231 0.103E+01 -0.525E-01 -0.791E-03 +TRP 628 C 374 LEU 568 CD2 232 0.102E+01 -0.538E-01 -0.872E-03 +TRP 628 C 374 TRP 571 C 253 0.102E+01 0.255E+00 -0.767E-03 +TRP 628 C 374 TRP 571 O 254 0.102E+01 -0.215E+00 -0.792E-03 +TRP 628 C 374 TRP 571 CB 255 0.101E+01 -0.433E-01 -0.914E-03 +TRP 628 C 374 TRP 571 CG 256 0.920E+00 -0.509E-01 -0.141E-02 +TRP 628 C 374 TRP 571 CD1 257 0.987E+00 -0.797E-01 -0.934E-03 +TRP 628 C 374 TRP 571 CD2 258 0.791E+00 0.591E-01 -0.351E-02 +TRP 628 C 374 TRP 571 NE1 259 0.912E+00 -0.154E+00 -0.184E-02 +TRP 628 C 374 TRP 571 CE2 260 0.790E+00 0.934E-01 -0.352E-02 +TRP 628 C 374 TRP 571 CE3 261 0.690E+00 -0.130E+00 -0.787E-02 +TRP 628 C 374 TRP 571 CZ2 262 0.693E+00 -0.177E+00 -0.768E-02 +TRP 628 C 374 TRP 571 CZ3 263 0.577E+00 -0.201E+00 -0.225E-01 +TRP 628 C 374 TRP 571 CH2 264 0.578E+00 -0.162E+00 -0.221E-01 +TRP 628 C 374 TRP 571 HE1 266 0.951E+00 0.156E+00 -0.403E-04 +TRP 628 C 374 GLY 572 N 267 0.978E+00 -0.174E+00 -0.121E-02 +TRP 628 C 374 GLY 572 CA 268 0.924E+00 -0.653E-01 -0.156E-02 +TRP 628 C 374 GLY 572 C 269 0.104E+01 0.247E+00 -0.689E-03 +TRP 628 C 374 GLY 572 O 270 0.103E+01 -0.218E+00 -0.741E-03 +TRP 628 C 374 GLN 575 CB 298 0.955E+00 -0.154E-01 -0.128E-02 +TRP 628 C 374 GLN 575 CG 299 0.896E+00 -0.106E-01 -0.187E-02 +TRP 628 C 374 GLN 575 CD 300 0.936E+00 0.331E+00 -0.128E-02 +TRP 628 C 374 GLN 575 OE1 301 0.919E+00 -0.321E+00 -0.150E-02 +TRP 628 C 374 GLN 575 NE2 302 0.102E+01 -0.387E+00 -0.963E-03 +TRP 628 C 374 LEU 576 CD2 313 0.102E+01 -0.534E-01 -0.843E-03 +TRP 628 C 374 ARG 579 CZ 341 0.102E+01 0.249E+00 -0.788E-03 +TRP 628 C 374 ARG 579 NH1 342 0.945E+00 -0.335E+00 -0.148E-02 +TRP 628 C 374 ARG 579 NH2 343 0.960E+00 -0.327E+00 -0.135E-02 +TRP 628 O 375 LEU 568 CA 226 0.101E+01 0.380E-01 -0.972E-03 +TRP 628 O 375 LEU 568 C 227 0.993E+00 -0.220E+00 -0.942E-03 +TRP 628 O 375 LEU 568 O 228 0.929E+00 0.237E+00 -0.142E-02 +TRP 628 O 375 LEU 568 CB 229 0.946E+00 0.596E-01 -0.142E-02 +TRP 628 O 375 LEU 568 CG 230 0.991E+00 -0.740E-01 -0.107E-02 +TRP 628 O 375 LEU 568 CD1 231 0.955E+00 0.501E-01 -0.134E-02 +TRP 628 O 375 LEU 568 CD2 232 0.964E+00 0.495E-01 -0.127E-02 +TRP 628 O 375 TRP 571 C 253 0.101E+01 -0.220E+00 -0.867E-03 +TRP 628 O 375 TRP 571 O 254 0.102E+01 0.182E+00 -0.803E-03 +TRP 628 O 375 TRP 571 CB 255 0.997E+00 0.375E-01 -0.104E-02 +TRP 628 O 375 TRP 571 CG 256 0.924E+00 0.429E-01 -0.145E-02 +TRP 628 O 375 TRP 571 CD1 257 0.100E+01 0.659E-01 -0.884E-03 +TRP 628 O 375 TRP 571 CD2 258 0.799E+00 -0.492E-01 -0.345E-02 +TRP 628 O 375 TRP 571 NE1 259 0.943E+00 0.124E+00 -0.156E-02 +TRP 628 O 375 TRP 571 CE2 260 0.820E+00 -0.743E-01 -0.297E-02 +TRP 628 O 375 TRP 571 CE3 261 0.689E+00 0.111E+00 -0.836E-02 +TRP 628 O 375 TRP 571 CZ2 262 0.738E+00 0.133E+00 -0.553E-02 +TRP 628 O 375 TRP 571 CZ3 263 0.590E+00 0.162E+00 -0.208E-01 +TRP 628 O 375 TRP 571 CH2 264 0.620E+00 0.119E+00 -0.156E-01 +TRP 628 O 375 TRP 571 HE1 266 0.992E+00 -0.124E+00 -0.262E-04 +TRP 628 O 375 GLY 572 N 267 0.951E+00 0.153E+00 -0.148E-02 +TRP 628 O 375 GLY 572 CA 268 0.898E+00 0.580E-01 -0.194E-02 +TRP 628 O 375 GLY 572 C 269 0.102E+01 -0.216E+00 -0.812E-03 +TRP 628 O 375 GLY 572 O 270 0.102E+01 0.187E+00 -0.795E-03 +TRP 628 O 375 GLN 575 CB 298 0.986E+00 0.124E-01 -0.110E-02 +TRP 628 O 375 GLN 575 CG 299 0.932E+00 0.846E-02 -0.155E-02 +TRP 628 O 375 GLN 575 CD 300 0.990E+00 -0.258E+00 -0.960E-03 +TRP 628 O 375 GLN 575 OE1 301 0.984E+00 0.245E+00 -0.101E-02 +TRP 628 O 375 LEU 576 CD2 313 0.103E+01 0.447E-01 -0.841E-03 +TRP 628 O 375 ARG 579 NH1 342 0.102E+01 0.255E+00 -0.995E-03 +TRP 628 O 375 ARG 579 NH2 343 0.105E+01 0.245E+00 -0.838E-03 +TRP 628 CB 376 LEU 568 O 228 0.990E+00 0.427E-01 -0.108E-02 +TRP 628 CB 376 TRP 571 C 253 0.950E+00 -0.475E-01 -0.132E-02 +TRP 628 CB 376 TRP 571 O 254 0.927E+00 0.418E-01 -0.160E-02 +TRP 628 CB 376 TRP 571 CB 255 0.997E+00 0.742E-02 -0.112E-02 +TRP 628 CB 376 TRP 571 CG 256 0.898E+00 0.889E-02 -0.185E-02 +TRP 628 CB 376 TRP 571 CD1 257 0.963E+00 0.139E-01 -0.122E-02 +TRP 628 CB 376 TRP 571 CD2 258 0.758E+00 -0.107E-01 -0.507E-02 +TRP 628 CB 376 TRP 571 NE1 259 0.880E+00 0.274E-01 -0.257E-02 +TRP 628 CB 376 TRP 571 CE2 260 0.751E+00 -0.172E-01 -0.537E-02 +TRP 628 CB 376 TRP 571 CE3 261 0.652E+00 0.245E-01 -0.124E-01 +TRP 628 CB 376 TRP 571 CZ2 262 0.639E+00 0.350E-01 -0.140E-01 +TRP 628 CB 376 TRP 571 CZ3 263 0.518E+00 0.430E-01 -0.461E-01 +TRP 628 CB 376 TRP 571 CH2 264 0.511E+00 0.361E-01 -0.500E-01 +TRP 628 CB 376 TRP 571 HE1 266 0.917E+00 -0.277E-01 -0.562E-04 +TRP 628 CB 376 GLY 572 N 267 0.912E+00 0.324E-01 -0.207E-02 +TRP 628 CB 376 GLY 572 CA 268 0.832E+00 0.130E-01 -0.328E-02 +TRP 628 CB 376 GLY 572 C 269 0.918E+00 -0.499E-01 -0.162E-02 +TRP 628 CB 376 GLY 572 O 270 0.886E+00 0.462E-01 -0.209E-02 +TRP 628 CB 376 ILE 573 N 272 0.105E+01 0.318E-01 -0.905E-03 +TRP 628 CB 376 GLN 575 N 294 0.102E+01 0.284E-01 -0.107E-02 +TRP 628 CB 376 GLN 575 CA 295 0.932E+00 -0.310E-02 -0.167E-02 +TRP 628 CB 376 GLN 575 C 296 0.956E+00 -0.338E-01 -0.127E-02 +TRP 628 CB 376 GLN 575 O 297 0.997E+00 0.428E-01 -0.104E-02 +TRP 628 CB 376 GLN 575 CB 298 0.787E+00 0.355E-02 -0.458E-02 +TRP 628 CB 376 GLN 575 CG 299 0.757E+00 0.239E-02 -0.580E-02 +TRP 628 CB 376 GLN 575 CD 300 0.795E+00 -0.729E-01 -0.383E-02 +TRP 628 CB 376 GLN 575 OE1 301 0.759E+00 0.744E-01 -0.528E-02 +TRP 628 CB 376 GLN 575 NE2 302 0.897E+00 0.787E-01 -0.230E-02 +TRP 628 CB 376 LEU 576 N 306 0.960E+00 0.284E-01 -0.152E-02 +TRP 628 CB 376 LEU 576 CA 307 0.101E+01 0.749E-02 -0.102E-02 +TRP 628 CB 376 LEU 576 CB 310 0.101E+01 0.106E-01 -0.101E-02 +TRP 628 CB 376 LEU 576 CG 311 0.886E+00 -0.174E-01 -0.226E-02 +TRP 628 CB 376 LEU 576 CD1 312 0.941E+00 0.102E-01 -0.157E-02 +TRP 628 CB 376 LEU 576 CD2 313 0.806E+00 0.131E-01 -0.398E-02 +TRP 628 CB 376 ARG 579 CD 339 0.983E+00 -0.974E-02 -0.121E-02 +TRP 628 CB 376 ARG 579 NE 340 0.917E+00 -0.400E-01 -0.201E-02 +TRP 628 CB 376 ARG 579 CZ 341 0.787E+00 -0.629E-01 -0.407E-02 +TRP 628 CB 376 ARG 579 NH1 342 0.705E+00 0.935E-01 -0.964E-02 +TRP 628 CB 376 ARG 579 NH2 343 0.749E+00 0.833E-01 -0.671E-02 +TRP 628 CB 376 ARG 579 HE 345 0.980E+00 -0.932E-02 -0.378E-04 +TRP 628 CG 377 LEU 568 C 227 0.102E+01 -0.428E-01 -0.767E-03 +TRP 628 CG 377 LEU 568 O 228 0.917E+00 0.490E-01 -0.152E-02 +TRP 628 CG 377 THR 569 O 237 0.104E+01 0.402E-01 -0.718E-03 +TRP 628 CG 377 TRP 571 N 251 0.105E+01 0.307E-01 -0.798E-03 +TRP 628 CG 377 TRP 571 CA 252 0.949E+00 0.166E-02 -0.133E-02 +TRP 628 CG 377 TRP 571 C 253 0.836E+00 -0.597E-01 -0.252E-02 +TRP 628 CG 377 TRP 571 O 254 0.802E+00 0.543E-01 -0.338E-02 +TRP 628 CG 377 TRP 571 CB 255 0.908E+00 0.874E-02 -0.173E-02 +TRP 628 CG 377 TRP 571 CG 256 0.809E+00 0.108E-01 -0.305E-02 +TRP 628 CG 377 TRP 571 CD1 257 0.876E+00 0.164E-01 -0.190E-02 +TRP 628 CG 377 TRP 571 CD2 258 0.670E+00 -0.138E-01 -0.938E-02 +TRP 628 CG 377 TRP 571 NE1 259 0.796E+00 0.332E-01 -0.416E-02 +TRP 628 CG 377 TRP 571 CE2 260 0.665E+00 -0.221E-01 -0.976E-02 +TRP 628 CG 377 TRP 571 CE3 261 0.563E+00 0.342E-01 -0.258E-01 +TRP 628 CG 377 TRP 571 CZ2 262 0.558E+00 0.478E-01 -0.273E-01 +TRP 628 CG 377 TRP 571 CZ3 263 0.429E+00 0.694E-01 -0.104E+00 +TRP 628 CG 377 TRP 571 CH2 264 0.426E+00 0.574E-01 -0.107E+00 +TRP 628 CG 377 TRP 571 HE1 266 0.836E+00 -0.329E-01 -0.867E-04 +TRP 628 CG 377 GLY 572 N 267 0.802E+00 0.410E-01 -0.397E-02 +TRP 628 CG 377 GLY 572 CA 268 0.714E+00 0.175E-01 -0.724E-02 +TRP 628 CG 377 GLY 572 C 269 0.788E+00 -0.658E-01 -0.359E-02 +TRP 628 CG 377 GLY 572 O 270 0.746E+00 0.635E-01 -0.519E-02 +TRP 628 CG 377 ILE 573 N 272 0.919E+00 0.394E-01 -0.175E-02 +TRP 628 CG 377 ILE 573 CA 273 0.102E+01 0.762E-02 -0.864E-03 +TRP 628 CG 377 ILE 573 C 274 0.103E+01 -0.416E-01 -0.701E-03 +TRP 628 CG 377 LYS 574 C 283 0.100E+01 -0.556E-01 -0.853E-03 +TRP 628 CG 377 GLN 575 N 294 0.872E+00 0.368E-01 -0.240E-02 +TRP 628 CG 377 GLN 575 CA 295 0.783E+00 -0.423E-02 -0.418E-02 +TRP 628 CG 377 GLN 575 C 296 0.804E+00 -0.458E-01 -0.318E-02 +TRP 628 CG 377 GLN 575 O 297 0.846E+00 0.565E-01 -0.245E-02 +TRP 628 CG 377 GLN 575 CB 298 0.640E+00 0.539E-02 -0.138E-01 +TRP 628 CG 377 GLN 575 CG 299 0.622E+00 0.358E-02 -0.164E-01 +TRP 628 CG 377 GLN 575 CD 300 0.668E+00 -0.103E+00 -0.950E-02 +TRP 628 CG 377 GLN 575 OE1 301 0.635E+00 0.107E+00 -0.135E-01 +TRP 628 CG 377 GLN 575 NE2 302 0.778E+00 0.102E+00 -0.475E-02 +TRP 628 CG 377 LEU 576 N 306 0.808E+00 0.384E-01 -0.379E-02 +TRP 628 CG 377 LEU 576 CA 307 0.861E+00 0.981E-02 -0.238E-02 +TRP 628 CG 377 LEU 576 C 308 0.101E+01 -0.436E-01 -0.828E-03 +TRP 628 CG 377 LEU 576 CB 310 0.868E+00 0.138E-01 -0.226E-02 +TRP 628 CG 377 LEU 576 CG 311 0.747E+00 -0.240E-01 -0.556E-02 +TRP 628 CG 377 LEU 576 CD1 312 0.813E+00 0.132E-01 -0.334E-02 +TRP 628 CG 377 LEU 576 CD2 313 0.669E+00 0.190E-01 -0.107E-01 +TRP 628 CG 377 ARG 579 CG 338 0.977E+00 -0.954E-03 -0.111E-02 +TRP 628 CG 377 ARG 579 CD 339 0.856E+00 -0.124E-01 -0.246E-02 +TRP 628 CG 377 ARG 579 NE 340 0.795E+00 -0.518E-01 -0.419E-02 +TRP 628 CG 377 ARG 579 CZ 341 0.670E+00 -0.870E-01 -0.939E-02 +TRP 628 CG 377 ARG 579 NH1 342 0.587E+00 0.139E+00 -0.251E-01 +TRP 628 CG 377 ARG 579 NH2 343 0.643E+00 0.115E+00 -0.148E-01 +TRP 628 CG 377 ARG 579 HE 345 0.860E+00 -0.117E-01 -0.736E-04 +TRP 628 CD1 378 LEU 568 O 228 0.974E+00 0.776E-01 -0.105E-02 +TRP 628 CD1 378 TRP 571 CA 252 0.958E+00 0.286E-02 -0.126E-02 +TRP 628 CD1 378 TRP 571 C 253 0.843E+00 -0.102E+00 -0.239E-02 +TRP 628 CD1 378 TRP 571 O 254 0.791E+00 0.969E-01 -0.368E-02 +TRP 628 CD1 378 TRP 571 CB 255 0.923E+00 0.148E-01 -0.157E-02 +TRP 628 CD1 378 TRP 571 CG 256 0.811E+00 0.187E-01 -0.301E-02 +TRP 628 CD1 378 TRP 571 CD1 257 0.861E+00 0.294E-01 -0.211E-02 +TRP 628 CD1 378 TRP 571 CD2 258 0.674E+00 -0.238E-01 -0.903E-02 +TRP 628 CD1 378 TRP 571 NE1 259 0.769E+00 0.613E-01 -0.510E-02 +TRP 628 CD1 378 TRP 571 CE2 260 0.647E+00 -0.407E-01 -0.115E-01 +TRP 628 CD1 378 TRP 571 CE3 261 0.587E+00 0.542E-01 -0.202E-01 +TRP 628 CD1 378 TRP 571 CZ2 262 0.528E+00 0.941E-01 -0.369E-01 +TRP 628 CD1 378 TRP 571 CZ3 263 0.452E+00 0.106E+00 -0.826E-01 +TRP 628 CD1 378 TRP 571 CH2 264 0.415E+00 0.107E+00 -0.118E+00 +TRP 628 CD1 378 TRP 571 HE1 266 0.798E+00 -0.621E-01 -0.115E-03 +TRP 628 CD1 378 GLY 572 N 267 0.828E+00 0.675E-01 -0.328E-02 +TRP 628 CD1 378 GLY 572 CA 268 0.744E+00 0.282E-01 -0.570E-02 +TRP 628 CD1 378 GLY 572 C 269 0.801E+00 -0.111E+00 -0.326E-02 +TRP 628 CD1 378 GLY 572 O 270 0.744E+00 0.111E+00 -0.528E-02 +TRP 628 CD1 378 ILE 573 N 272 0.934E+00 0.669E-01 -0.160E-02 +TRP 628 CD1 378 ILE 573 CA 273 0.102E+01 0.132E-01 -0.844E-03 +TRP 628 CD1 378 ILE 573 C 274 0.102E+01 -0.741E-01 -0.770E-03 +TRP 628 CD1 378 ILE 573 O 275 0.103E+01 0.795E-01 -0.757E-03 +TRP 628 CD1 378 LYS 574 N 281 0.103E+01 0.558E-01 -0.886E-03 +TRP 628 CD1 378 LYS 574 C 283 0.949E+00 -0.105E+00 -0.118E-02 +TRP 628 CD1 378 LYS 574 O 284 0.989E+00 0.766E-01 -0.966E-03 +TRP 628 CD1 378 GLN 575 N 294 0.823E+00 0.707E-01 -0.341E-02 +TRP 628 CD1 378 GLN 575 CA 295 0.718E+00 -0.865E-02 -0.702E-02 +TRP 628 CD1 378 GLN 575 C 296 0.736E+00 -0.935E-01 -0.539E-02 +TRP 628 CD1 378 GLN 575 O 297 0.764E+00 0.118E+00 -0.453E-02 +TRP 628 CD1 378 GLN 575 CB 298 0.582E+00 0.115E-01 -0.241E-01 +TRP 628 CD1 378 GLN 575 CG 299 0.565E+00 0.767E-02 -0.286E-01 +TRP 628 CD1 378 GLN 575 CD 300 0.587E+00 -0.235E+00 -0.203E-01 +TRP 628 CD1 378 GLN 575 OE1 301 0.535E+00 0.272E+00 -0.369E-01 +TRP 628 CD1 378 GLN 575 NE2 302 0.700E+00 0.216E+00 -0.888E-02 +TRP 628 CD1 378 LEU 576 N 306 0.759E+00 0.748E-01 -0.552E-02 +TRP 628 CD1 378 LEU 576 CA 307 0.812E+00 0.189E-01 -0.337E-02 +TRP 628 CD1 378 LEU 576 C 308 0.951E+00 -0.827E-01 -0.117E-02 +TRP 628 CD1 378 LEU 576 O 309 0.100E+01 0.746E-01 -0.897E-03 +TRP 628 CD1 378 LEU 576 CB 310 0.842E+00 0.253E-01 -0.272E-02 +TRP 628 CD1 378 LEU 576 CG 311 0.737E+00 -0.427E-01 -0.603E-02 +TRP 628 CD1 378 LEU 576 CD1 312 0.825E+00 0.223E-01 -0.307E-02 +TRP 628 CD1 378 LEU 576 CD2 313 0.648E+00 0.351E-01 -0.128E-01 +TRP 628 CD1 378 GLN 577 N 315 0.103E+01 0.497E-01 -0.897E-03 +TRP 628 CD1 378 ARG 579 CB 337 0.958E+00 0.528E-02 -0.126E-02 +TRP 628 CD1 378 ARG 579 CG 338 0.867E+00 -0.201E-02 -0.229E-02 +TRP 628 CD1 378 ARG 579 CD 339 0.743E+00 -0.276E-01 -0.574E-02 +TRP 628 CD1 378 ARG 579 NE 340 0.671E+00 -0.124E+00 -0.115E-01 +TRP 628 CD1 378 ARG 579 CZ 341 0.542E+00 -0.237E+00 -0.318E-01 +TRP 628 CD1 378 ARG 579 NH1 342 0.468E+00 0.407E+00 -0.877E-01 +TRP 628 CD1 378 ARG 579 NH2 343 0.508E+00 0.334E+00 -0.567E-01 +TRP 628 CD1 378 ARG 579 HE 345 0.732E+00 -0.270E-01 -0.193E-03 +TRP 628 CD2 379 LEU 568 CA 226 0.986E+00 -0.714E-02 -0.106E-02 +TRP 628 CD2 379 LEU 568 C 227 0.916E+00 0.454E-01 -0.146E-02 +TRP 628 CD2 379 LEU 568 O 228 0.812E+00 -0.539E-01 -0.314E-02 +TRP 628 CD2 379 LEU 568 CB 229 0.989E+00 -0.101E-01 -0.104E-02 +TRP 628 CD2 379 THR 569 N 234 0.991E+00 -0.172E-01 -0.112E-02 +TRP 628 CD2 379 THR 569 CA 235 0.967E+00 -0.197E-01 -0.119E-02 +TRP 628 CD2 379 THR 569 C 236 0.977E+00 0.401E-01 -0.988E-03 +TRP 628 CD2 379 THR 569 O 237 0.913E+00 -0.439E-01 -0.156E-02 +TRP 628 CD2 379 VAL 570 C 245 0.101E+01 0.307E-01 -0.835E-03 +TRP 628 CD2 379 VAL 570 O 246 0.996E+00 -0.282E-01 -0.925E-03 +TRP 628 CD2 379 TRP 571 N 251 0.949E+00 -0.320E-01 -0.145E-02 +TRP 628 CD2 379 TRP 571 CA 252 0.861E+00 -0.175E-02 -0.238E-02 +TRP 628 CD2 379 TRP 571 C 253 0.739E+00 0.669E-01 -0.526E-02 +TRP 628 CD2 379 TRP 571 O 254 0.713E+00 -0.607E-01 -0.684E-02 +TRP 628 CD2 379 TRP 571 CB 255 0.832E+00 -0.909E-02 -0.293E-02 +TRP 628 CD2 379 TRP 571 CG 256 0.750E+00 -0.111E-01 -0.479E-02 +TRP 628 CD2 379 TRP 571 CD1 257 0.833E+00 -0.161E-01 -0.257E-02 +TRP 628 CD2 379 TRP 571 CD2 258 0.615E+00 0.148E-01 -0.155E-01 +TRP 628 CD2 379 TRP 571 NE1 259 0.769E+00 -0.317E-01 -0.508E-02 +TRP 628 CD2 379 TRP 571 CE2 260 0.637E+00 0.218E-01 -0.126E-01 +TRP 628 CD2 379 TRP 571 CE3 261 0.494E+00 -0.415E-01 -0.530E-01 +TRP 628 CD2 379 TRP 571 CZ2 262 0.551E+00 -0.442E-01 -0.291E-01 +TRP 628 CD2 379 TRP 571 CZ3 263 0.376E+00 -0.880E-01 -0.139E+00 +TRP 628 CD2 379 TRP 571 CH2 264 0.414E+00 -0.555E-01 -0.118E+00 +TRP 628 CD2 379 TRP 571 HE1 266 0.824E+00 0.303E-01 -0.949E-04 +TRP 628 CD2 379 GLY 572 N 267 0.691E+00 -0.487E-01 -0.963E-02 +TRP 628 CD2 379 GLY 572 CA 268 0.594E+00 -0.229E-01 -0.215E-01 +TRP 628 CD2 379 GLY 572 C 269 0.667E+00 0.812E-01 -0.966E-02 +TRP 628 CD2 379 GLY 572 O 270 0.631E+00 -0.794E-01 -0.140E-01 +TRP 628 CD2 379 ILE 573 N 272 0.797E+00 -0.451E-01 -0.413E-02 +TRP 628 CD2 379 ILE 573 CA 273 0.899E+00 -0.831E-02 -0.184E-02 +TRP 628 CD2 379 ILE 573 C 274 0.926E+00 0.443E-01 -0.137E-02 +TRP 628 CD2 379 ILE 573 O 275 0.951E+00 -0.463E-01 -0.122E-02 +TRP 628 CD2 379 ILE 573 CB 276 0.104E+01 0.407E-02 -0.780E-03 +TRP 628 CD2 379 LYS 574 N 281 0.950E+00 -0.326E-01 -0.144E-02 +TRP 628 CD2 379 LYS 574 CA 282 0.101E+01 -0.266E-02 -0.919E-03 +TRP 628 CD2 379 LYS 574 C 283 0.924E+00 0.566E-01 -0.139E-02 +TRP 628 CD2 379 LYS 574 O 284 0.984E+00 -0.399E-01 -0.994E-03 +TRP 628 CD2 379 GLN 575 N 294 0.795E+00 -0.388E-01 -0.417E-02 +TRP 628 CD2 379 GLN 575 CA 295 0.721E+00 0.444E-02 -0.686E-02 +TRP 628 CD2 379 GLN 575 C 296 0.739E+00 0.480E-01 -0.526E-02 +TRP 628 CD2 379 GLN 575 O 297 0.796E+00 -0.565E-01 -0.353E-02 +TRP 628 CD2 379 GLN 575 CB 298 0.578E+00 -0.603E-02 -0.250E-01 +TRP 628 CD2 379 GLN 575 CG 299 0.574E+00 -0.382E-02 -0.260E-01 +TRP 628 CD2 379 GLN 575 CD 300 0.650E+00 0.983E-01 -0.112E-01 +TRP 628 CD2 379 GLN 575 OE1 301 0.637E+00 -0.961E-01 -0.133E-01 +TRP 628 CD2 379 GLN 575 NE2 302 0.761E+00 -0.958E-01 -0.543E-02 +TRP 628 CD2 379 LEU 576 N 306 0.725E+00 -0.421E-01 -0.722E-02 +TRP 628 CD2 379 LEU 576 CA 307 0.779E+00 -0.105E-01 -0.431E-02 +TRP 628 CD2 379 LEU 576 C 308 0.928E+00 0.444E-01 -0.134E-02 +TRP 628 CD2 379 LEU 576 O 309 0.995E+00 -0.389E-01 -0.929E-03 +TRP 628 CD2 379 LEU 576 CB 310 0.771E+00 -0.152E-01 -0.460E-02 +TRP 628 CD2 379 LEU 576 CG 311 0.642E+00 0.290E-01 -0.136E-01 +TRP 628 CD2 379 LEU 576 CD1 312 0.698E+00 -0.157E-01 -0.828E-02 +TRP 628 CD2 379 LEU 576 CD2 313 0.582E+00 -0.228E-01 -0.240E-01 +TRP 628 CD2 379 GLN 577 N 315 0.997E+00 -0.269E-01 -0.108E-02 +TRP 628 CD2 379 ARG 579 CB 337 0.104E+01 -0.243E-02 -0.778E-03 +TRP 628 CD2 379 ARG 579 CG 338 0.969E+00 0.870E-03 -0.117E-02 +TRP 628 CD2 379 ARG 579 CD 339 0.860E+00 0.110E-01 -0.240E-02 +TRP 628 CD2 379 ARG 579 NE 340 0.813E+00 0.448E-01 -0.366E-02 +TRP 628 CD2 379 ARG 579 CZ 341 0.699E+00 0.719E-01 -0.728E-02 +TRP 628 CD2 379 ARG 579 NH1 342 0.613E+00 -0.114E+00 -0.196E-01 +TRP 628 CD2 379 ARG 579 NH2 343 0.689E+00 -0.898E-01 -0.979E-02 +TRP 628 CD2 379 ARG 579 HE 345 0.881E+00 0.101E-01 -0.635E-04 +TRP 628 NE1 380 LEU 568 C 227 0.103E+01 -0.126E+00 -0.897E-03 +TRP 628 NE1 380 LEU 568 O 228 0.913E+00 0.147E+00 -0.190E-02 +TRP 628 NE1 380 THR 569 O 237 0.989E+00 0.129E+00 -0.117E-02 +TRP 628 NE1 380 VAL 570 C 245 0.103E+01 -0.980E-01 -0.883E-03 +TRP 628 NE1 380 VAL 570 O 246 0.999E+00 0.929E-01 -0.110E-02 +TRP 628 NE1 380 TRP 571 N 251 0.981E+00 0.101E+00 -0.145E-02 +TRP 628 NE1 380 TRP 571 CA 252 0.873E+00 0.567E-02 -0.270E-02 +TRP 628 NE1 380 TRP 571 C 253 0.749E+00 -0.216E+00 -0.594E-02 +TRP 628 NE1 380 TRP 571 O 254 0.688E+00 0.215E+00 -0.103E-01 +TRP 628 NE1 380 TRP 571 CB 255 0.856E+00 0.287E-01 -0.304E-02 +TRP 628 NE1 380 TRP 571 CG 256 0.750E+00 0.369E-01 -0.590E-02 +TRP 628 NE1 380 TRP 571 CD1 257 0.804E+00 0.567E-01 -0.392E-02 +TRP 628 NE1 380 TRP 571 CD2 258 0.619E+00 -0.485E-01 -0.184E-01 +TRP 628 NE1 380 TRP 571 NE1 259 0.720E+00 0.119E+00 -0.924E-02 +TRP 628 NE1 380 TRP 571 CE2 260 0.601E+00 -0.815E-01 -0.219E-01 +TRP 628 NE1 380 TRP 571 CE3 261 0.534E+00 0.115E+00 -0.431E-01 +TRP 628 NE1 380 TRP 571 CZ2 262 0.497E+00 0.186E+00 -0.643E-01 +TRP 628 NE1 380 TRP 571 CZ3 263 0.412E+00 0.230E+00 -0.157E+00 +TRP 628 NE1 380 TRP 571 CH2 264 0.389E+00 0.217E+00 -0.187E+00 +TRP 628 NE1 380 TRP 571 HE1 266 0.755E+00 -0.117E+00 -0.184E-03 +TRP 628 NE1 380 GLY 572 N 267 0.737E+00 0.143E+00 -0.807E-02 +TRP 628 NE1 380 GLY 572 CA 268 0.646E+00 0.636E-01 -0.161E-01 +TRP 628 NE1 380 GLY 572 C 269 0.688E+00 -0.252E+00 -0.985E-02 +TRP 628 NE1 380 GLY 572 O 270 0.623E+00 0.270E+00 -0.184E-01 +TRP 628 NE1 380 ILE 573 N 272 0.821E+00 0.142E+00 -0.423E-02 +TRP 628 NE1 380 ILE 573 CA 273 0.904E+00 0.273E-01 -0.219E-02 +TRP 628 NE1 380 ILE 573 C 274 0.894E+00 -0.155E+00 -0.208E-02 +TRP 628 NE1 380 ILE 573 O 275 0.901E+00 0.167E+00 -0.206E-02 +TRP 628 NE1 380 LYS 574 N 281 0.908E+00 0.116E+00 -0.231E-02 +TRP 628 NE1 380 LYS 574 CA 282 0.936E+00 0.987E-02 -0.177E-02 +TRP 628 NE1 380 LYS 574 C 283 0.825E+00 -0.226E+00 -0.335E-02 +TRP 628 NE1 380 LYS 574 O 284 0.864E+00 0.162E+00 -0.264E-02 +TRP 628 NE1 380 LYS 574 CB 285 0.993E+00 0.250E-01 -0.125E-02 +TRP 628 NE1 380 GLN 575 N 294 0.700E+00 0.163E+00 -0.110E-01 +TRP 628 NE1 380 GLN 575 CA 295 0.595E+00 -0.217E-01 -0.262E-01 +TRP 628 NE1 380 GLN 575 C 296 0.608E+00 -0.235E+00 -0.205E-01 +TRP 628 NE1 380 GLN 575 O 297 0.641E+00 0.283E+00 -0.157E-01 +TRP 628 NE1 380 GLN 575 CB 298 0.460E+00 0.340E-01 -0.109E+00 +TRP 628 NE1 380 GLN 575 CG 299 0.462E+00 0.210E-01 -0.106E+00 +TRP 628 NE1 380 GLN 575 CD 300 0.500E+00 -0.581E+00 -0.623E-01 +TRP 628 NE1 380 GLN 575 OE1 301 0.456E+00 0.681E+00 -0.110E+00 +TRP 628 NE1 380 GLN 575 NE2 302 0.621E+00 0.471E+00 -0.221E-01 +TRP 628 NE1 380 LEU 576 N 306 0.628E+00 0.186E+00 -0.208E-01 +TRP 628 NE1 380 LEU 576 CA 307 0.685E+00 0.443E-01 -0.115E-01 +TRP 628 NE1 380 LEU 576 C 308 0.823E+00 -0.179E+00 -0.339E-02 +TRP 628 NE1 380 LEU 576 O 309 0.878E+00 0.156E+00 -0.239E-02 +TRP 628 NE1 380 LEU 576 CB 310 0.718E+00 0.576E-01 -0.866E-02 +TRP 628 NE1 380 LEU 576 CG 311 0.619E+00 -0.103E+00 -0.208E-01 +TRP 628 NE1 380 LEU 576 CD1 312 0.717E+00 0.493E-01 -0.869E-02 +TRP 628 NE1 380 LEU 576 CD2 313 0.538E+00 0.901E-01 -0.466E-01 +TRP 628 NE1 380 GLN 577 N 315 0.898E+00 0.105E+00 -0.247E-02 +TRP 628 NE1 380 GLN 577 CA 316 0.103E+01 -0.807E-02 -0.976E-03 +TRP 628 NE1 380 ALA 578 N 327 0.979E+00 0.958E-01 -0.148E-02 +TRP 628 NE1 380 ALA 578 CA 328 0.103E+01 0.617E-02 -0.102E-02 +TRP 628 NE1 380 ALA 578 C 329 0.104E+01 -0.123E+00 -0.839E-03 +TRP 628 NE1 380 ALA 578 CB 331 0.954E+00 0.565E-01 -0.158E-02 +TRP 628 NE1 380 ARG 579 N 333 0.958E+00 0.735E-01 -0.168E-02 +TRP 628 NE1 380 ARG 579 CA 334 0.985E+00 0.307E-01 -0.131E-02 +TRP 628 NE1 380 ARG 579 CB 337 0.860E+00 0.107E-01 -0.294E-02 +TRP 628 NE1 380 ARG 579 CG 338 0.775E+00 -0.417E-02 -0.551E-02 +TRP 628 NE1 380 ARG 579 CD 339 0.661E+00 -0.592E-01 -0.141E-01 +TRP 628 NE1 380 ARG 579 NE 340 0.599E+00 -0.269E+00 -0.275E-01 +TRP 628 NE1 380 ARG 579 CZ 341 0.481E+00 -0.539E+00 -0.764E-01 +TRP 628 NE1 380 ARG 579 NH1 342 0.407E+00 0.995E+00 -0.213E+00 +TRP 628 NE1 380 ARG 579 NH2 343 0.465E+00 0.708E+00 -0.113E+00 +TRP 628 NE1 380 ARG 579 HE 345 0.663E+00 -0.562E-01 -0.401E-03 +TRP 628 NE1 380 ILE 580 CD1 357 0.100E+01 0.231E-01 -0.119E-02 +TRP 628 CE2 381 LEU 568 CA 226 0.100E+01 -0.110E-01 -0.949E-03 +TRP 628 CE2 381 LEU 568 C 227 0.925E+00 0.704E-01 -0.137E-02 +TRP 628 CE2 381 LEU 568 O 228 0.812E+00 -0.851E-01 -0.314E-02 +TRP 628 CE2 381 LEU 568 CB 229 0.103E+01 -0.151E-01 -0.826E-03 +TRP 628 CE2 381 THR 569 N 234 0.100E+01 -0.268E-01 -0.106E-02 +TRP 628 CE2 381 THR 569 CA 235 0.967E+00 -0.311E-01 -0.119E-02 +TRP 628 CE2 381 THR 569 C 236 0.955E+00 0.655E-01 -0.113E-02 +TRP 628 CE2 381 THR 569 O 237 0.880E+00 -0.735E-01 -0.194E-02 +TRP 628 CE2 381 VAL 570 N 243 0.104E+01 -0.464E-01 -0.838E-03 +TRP 628 CE2 381 VAL 570 C 245 0.950E+00 0.527E-01 -0.117E-02 +TRP 628 CE2 381 VAL 570 O 246 0.925E+00 -0.498E-01 -0.144E-02 +TRP 628 CE2 381 TRP 571 N 251 0.904E+00 -0.546E-01 -0.194E-02 +TRP 628 CE2 381 TRP 571 CA 252 0.808E+00 -0.308E-02 -0.349E-02 +TRP 628 CE2 381 TRP 571 C 253 0.677E+00 0.125E+00 -0.879E-02 +TRP 628 CE2 381 TRP 571 O 254 0.631E+00 -0.122E+00 -0.140E-01 +TRP 628 CE2 381 TRP 571 CB 255 0.796E+00 -0.155E-01 -0.380E-02 +TRP 628 CE2 381 TRP 571 CG 256 0.710E+00 -0.195E-01 -0.668E-02 +TRP 628 CE2 381 TRP 571 CD1 257 0.784E+00 -0.282E-01 -0.370E-02 +TRP 628 CE2 381 TRP 571 CD2 258 0.579E+00 0.266E-01 -0.219E-01 +TRP 628 CE2 381 TRP 571 NE1 259 0.719E+00 -0.567E-01 -0.763E-02 +TRP 628 CE2 381 TRP 571 CE2 260 0.592E+00 0.400E-01 -0.192E-01 +TRP 628 CE2 381 TRP 571 CE3 261 0.473E+00 -0.726E-01 -0.662E-01 +TRP 628 CE2 381 TRP 571 CZ2 262 0.510E+00 -0.833E-01 -0.448E-01 +TRP 628 CE2 381 TRP 571 CZ3 263 0.363E+00 -0.153E+00 -0.123E+00 +TRP 628 CE2 381 TRP 571 CH2 264 0.388E+00 -0.104E+00 -0.138E+00 +TRP 628 CE2 381 TRP 571 HE1 266 0.769E+00 0.540E-01 -0.143E-03 +TRP 628 CE2 381 GLY 572 N 267 0.644E+00 -0.883E-01 -0.145E-01 +TRP 628 CE2 381 GLY 572 CA 268 0.543E+00 -0.441E-01 -0.358E-01 +TRP 628 CE2 381 GLY 572 C 269 0.593E+00 0.163E+00 -0.192E-01 +TRP 628 CE2 381 GLY 572 O 270 0.539E+00 -0.177E+00 -0.353E-01 +TRP 628 CE2 381 ILE 573 N 272 0.726E+00 -0.842E-01 -0.718E-02 +TRP 628 CE2 381 ILE 573 CA 273 0.816E+00 -0.154E-01 -0.327E-02 +TRP 628 CE2 381 ILE 573 C 274 0.826E+00 0.843E-01 -0.271E-02 +TRP 628 CE2 381 ILE 573 O 275 0.842E+00 -0.888E-01 -0.253E-02 +TRP 628 CE2 381 ILE 573 CB 276 0.962E+00 0.718E-02 -0.123E-02 +TRP 628 CE2 381 ILE 573 CG1 277 0.994E+00 0.242E-02 -0.101E-02 +TRP 628 CE2 381 LYS 574 N 281 0.849E+00 -0.616E-01 -0.282E-02 +TRP 628 CE2 381 LYS 574 CA 282 0.897E+00 -0.503E-02 -0.186E-02 +TRP 628 CE2 381 LYS 574 C 283 0.801E+00 0.113E+00 -0.324E-02 +TRP 628 CE2 381 LYS 574 O 284 0.854E+00 -0.787E-01 -0.231E-02 +TRP 628 CE2 381 LYS 574 CB 285 0.960E+00 -0.125E-01 -0.124E-02 +TRP 628 CE2 381 GLN 575 N 294 0.675E+00 -0.833E-01 -0.111E-01 +TRP 628 CE2 381 GLN 575 CA 295 0.590E+00 0.105E-01 -0.222E-01 +TRP 628 CE2 381 GLN 575 C 296 0.603E+00 0.114E+00 -0.174E-01 +TRP 628 CE2 381 GLN 575 O 297 0.657E+00 -0.128E+00 -0.111E-01 +TRP 628 CE2 381 GLN 575 CB 298 0.450E+00 -0.171E-01 -0.950E-01 +TRP 628 CE2 381 GLN 575 CG 299 0.463E+00 -0.993E-02 -0.829E-01 +TRP 628 CE2 381 GLN 575 CD 300 0.539E+00 0.232E+00 -0.330E-01 +TRP 628 CE2 381 GLN 575 OE1 301 0.524E+00 -0.233E+00 -0.416E-01 +TRP 628 CE2 381 GLN 575 NE2 302 0.658E+00 -0.200E+00 -0.129E-01 +TRP 628 CE2 381 LEU 576 N 306 0.597E+00 -0.983E-01 -0.227E-01 +TRP 628 CE2 381 LEU 576 CA 307 0.655E+00 -0.231E-01 -0.121E-01 +TRP 628 CE2 381 LEU 576 C 308 0.801E+00 0.894E-01 -0.324E-02 +TRP 628 CE2 381 LEU 576 O 309 0.868E+00 -0.760E-01 -0.211E-02 +TRP 628 CE2 381 LEU 576 CB 310 0.663E+00 -0.321E-01 -0.113E-01 +TRP 628 CE2 381 LEU 576 CG 311 0.547E+00 0.645E-01 -0.343E-01 +TRP 628 CE2 381 LEU 576 CD1 312 0.628E+00 -0.307E-01 -0.155E-01 +TRP 628 CE2 381 LEU 576 CD2 313 0.485E+00 -0.547E-01 -0.659E-01 +TRP 628 CE2 381 GLN 577 N 315 0.871E+00 -0.524E-01 -0.243E-02 +TRP 628 CE2 381 GLN 577 CA 316 0.101E+01 0.397E-02 -0.903E-03 +TRP 628 CE2 381 ALA 578 N 327 0.987E+00 -0.451E-01 -0.115E-02 +TRP 628 CE2 381 ALA 578 CB 331 0.991E+00 -0.255E-01 -0.103E-02 +TRP 628 CE2 381 ARG 579 N 333 0.990E+00 -0.333E-01 -0.112E-02 +TRP 628 CE2 381 ARG 579 CA 334 0.103E+01 -0.138E-01 -0.835E-03 +TRP 628 CE2 381 ARG 579 CB 337 0.908E+00 -0.468E-02 -0.173E-02 +TRP 628 CE2 381 ARG 579 CG 338 0.837E+00 0.173E-02 -0.281E-02 +TRP 628 CE2 381 ARG 579 CD 339 0.735E+00 0.230E-01 -0.611E-02 +TRP 628 CE2 381 ARG 579 NE 340 0.690E+00 0.957E-01 -0.970E-02 +TRP 628 CE2 381 ARG 579 CZ 341 0.584E+00 0.164E+00 -0.209E-01 +TRP 628 CE2 381 ARG 579 NH1 342 0.503E+00 -0.280E+00 -0.600E-01 +TRP 628 CE2 381 ARG 579 NH2 343 0.583E+00 -0.200E+00 -0.260E-01 +TRP 628 CE2 381 ARG 579 HE 345 0.757E+00 0.207E-01 -0.157E-03 +TRP 628 CE2 381 ILE 580 CD1 357 0.986E+00 -0.113E-01 -0.106E-02 +TRP 628 CE3 382 GLN 567 O 216 0.105E+01 0.624E-01 -0.676E-03 +TRP 628 CE3 382 LEU 568 N 225 0.105E+01 0.392E-01 -0.793E-03 +TRP 628 CE3 382 LEU 568 CA 226 0.911E+00 0.138E-01 -0.170E-02 +TRP 628 CE3 382 LEU 568 C 227 0.834E+00 -0.904E-01 -0.255E-02 +TRP 628 CE3 382 LEU 568 O 228 0.739E+00 0.109E+00 -0.550E-02 +TRP 628 CE3 382 LEU 568 CB 229 0.904E+00 0.199E-01 -0.178E-02 +TRP 628 CE3 382 LEU 568 CG 230 0.101E+01 -0.225E-01 -0.929E-03 +TRP 628 CE3 382 LEU 568 CD1 231 0.102E+01 0.141E-01 -0.846E-03 +TRP 628 CE3 382 LEU 568 CD2 232 0.996E+00 0.146E-01 -0.993E-03 +TRP 628 CE3 382 THR 569 N 234 0.899E+00 0.342E-01 -0.201E-02 +TRP 628 CE3 382 THR 569 CA 235 0.872E+00 0.397E-01 -0.220E-02 +TRP 628 CE3 382 THR 569 C 236 0.898E+00 -0.783E-01 -0.164E-02 +TRP 628 CE3 382 THR 569 O 237 0.838E+00 0.864E-01 -0.259E-02 +TRP 628 CE3 382 THR 569 CB 238 0.987E+00 -0.287E-01 -0.105E-02 +TRP 628 CE3 382 THR 569 CG2 240 0.993E+00 0.211E-01 -0.101E-02 +TRP 628 CE3 382 VAL 570 N 243 0.998E+00 0.534E-01 -0.107E-02 +TRP 628 CE3 382 VAL 570 C 245 0.965E+00 -0.558E-01 -0.107E-02 +TRP 628 CE3 382 VAL 570 O 246 0.967E+00 0.504E-01 -0.110E-02 +TRP 628 CE3 382 TRP 571 N 251 0.912E+00 0.584E-01 -0.184E-02 +TRP 628 CE3 382 TRP 571 CA 252 0.841E+00 0.311E-02 -0.274E-02 +TRP 628 CE3 382 TRP 571 C 253 0.719E+00 -0.120E+00 -0.616E-02 +TRP 628 CE3 382 TRP 571 O 254 0.714E+00 0.103E+00 -0.675E-02 +TRP 628 CE3 382 TRP 571 CB 255 0.813E+00 0.162E-01 -0.334E-02 +TRP 628 CE3 382 TRP 571 CG 256 0.755E+00 0.188E-01 -0.461E-02 +TRP 628 CE3 382 TRP 571 CD1 257 0.855E+00 0.263E-01 -0.220E-02 +TRP 628 CE3 382 TRP 571 CD2 258 0.628E+00 -0.243E-01 -0.138E-01 +TRP 628 CE3 382 TRP 571 NE1 259 0.810E+00 0.494E-01 -0.373E-02 +TRP 628 CE3 382 TRP 571 CE2 260 0.677E+00 -0.329E-01 -0.880E-02 +TRP 628 CE3 382 TRP 571 CE3 261 0.492E+00 0.717E-01 -0.540E-01 +TRP 628 CE3 382 TRP 571 CZ2 262 0.614E+00 0.597E-01 -0.156E-01 +TRP 628 CE3 382 TRP 571 CZ3 263 0.400E+00 0.128E+00 -0.131E+00 +TRP 628 CE3 382 TRP 571 CH2 264 0.477E+00 0.668E-01 -0.637E-01 +TRP 628 CE3 382 TRP 571 HE1 266 0.877E+00 -0.467E-01 -0.652E-04 +TRP 628 CE3 382 GLY 572 N 267 0.649E+00 0.944E-01 -0.140E-01 +TRP 628 CE3 382 GLY 572 CA 268 0.547E+00 0.470E-01 -0.341E-01 +TRP 628 CE3 382 GLY 572 C 269 0.632E+00 -0.155E+00 -0.133E-01 +TRP 628 CE3 382 GLY 572 O 270 0.616E+00 0.143E+00 -0.162E-01 +TRP 628 CE3 382 ILE 573 N 272 0.754E+00 0.851E-01 -0.573E-02 +TRP 628 CE3 382 ILE 573 CA 273 0.864E+00 0.152E-01 -0.234E-02 +TRP 628 CE3 382 ILE 573 C 274 0.913E+00 -0.775E-01 -0.149E-02 +TRP 628 CE3 382 ILE 573 O 275 0.948E+00 0.796E-01 -0.124E-02 +TRP 628 CE3 382 ILE 573 CB 276 0.992E+00 -0.743E-02 -0.102E-02 +TRP 628 CE3 382 ILE 573 CG1 277 0.989E+00 -0.265E-02 -0.104E-02 +TRP 628 CE3 382 LYS 574 N 281 0.945E+00 0.562E-01 -0.149E-02 +TRP 628 CE3 382 LYS 574 CA 282 0.102E+01 0.447E-02 -0.851E-03 +TRP 628 CE3 382 LYS 574 C 283 0.954E+00 -0.921E-01 -0.114E-02 +TRP 628 CE3 382 LYS 574 O 284 0.103E+01 0.643E-01 -0.776E-03 +TRP 628 CE3 382 GLN 575 N 294 0.829E+00 0.618E-01 -0.326E-02 +TRP 628 CE3 382 GLN 575 CA 295 0.775E+00 -0.665E-02 -0.447E-02 +TRP 628 CE3 382 GLN 575 C 296 0.792E+00 -0.723E-01 -0.346E-02 +TRP 628 CE3 382 GLN 575 O 297 0.864E+00 0.842E-01 -0.217E-02 +TRP 628 CE3 382 GLN 575 CB 298 0.635E+00 0.843E-02 -0.144E-01 +TRP 628 CE3 382 GLN 575 CG 299 0.637E+00 0.524E-02 -0.142E-01 +TRP 628 CE3 382 GLN 575 CD 300 0.734E+00 -0.133E+00 -0.546E-02 +TRP 628 CE3 382 GLN 575 OE1 301 0.739E+00 0.123E+00 -0.548E-02 +TRP 628 CE3 382 GLN 575 NE2 302 0.839E+00 0.138E+00 -0.303E-02 +TRP 628 CE3 382 LEU 576 N 306 0.759E+00 0.662E-01 -0.551E-02 +TRP 628 CE3 382 LEU 576 CA 307 0.811E+00 0.168E-01 -0.341E-02 +TRP 628 CE3 382 LEU 576 C 308 0.961E+00 -0.720E-01 -0.109E-02 +TRP 628 CE3 382 LEU 576 O 309 0.104E+01 0.628E-01 -0.733E-03 +TRP 628 CE3 382 LEU 576 CB 310 0.778E+00 0.257E-01 -0.436E-02 +TRP 628 CE3 382 LEU 576 CG 311 0.638E+00 -0.502E-01 -0.141E-01 +TRP 628 CE3 382 LEU 576 CD1 312 0.666E+00 0.294E-01 -0.109E-01 +TRP 628 CE3 382 LEU 576 CD2 313 0.600E+00 0.366E-01 -0.202E-01 +TRP 628 CE3 382 GLN 577 N 315 0.102E+01 0.443E-01 -0.924E-03 +TRP 628 CE3 382 ARG 579 CD 339 0.963E+00 -0.158E-01 -0.122E-02 +TRP 628 CE3 382 ARG 579 NE 340 0.928E+00 -0.617E-01 -0.166E-02 +TRP 628 CE3 382 ARG 579 CZ 341 0.821E+00 -0.918E-01 -0.280E-02 +TRP 628 CE3 382 ARG 579 NH1 342 0.731E+00 0.137E+00 -0.688E-02 +TRP 628 CE3 382 ARG 579 NH2 343 0.819E+00 0.112E+00 -0.350E-02 +TRP 628 CE3 382 ARG 579 HE 345 0.998E+00 -0.143E-01 -0.301E-04 +TRP 628 CZ2 383 GLN 567 O 216 0.102E+01 0.896E-01 -0.820E-03 +TRP 628 CZ2 383 LEU 568 CA 226 0.949E+00 0.177E-01 -0.133E-02 +TRP 628 CZ2 383 LEU 568 C 227 0.855E+00 -0.119E+00 -0.220E-02 +TRP 628 CZ2 383 LEU 568 O 228 0.739E+00 0.150E+00 -0.551E-02 +TRP 628 CZ2 383 LEU 568 CB 229 0.986E+00 0.238E-01 -0.106E-02 +TRP 628 CZ2 383 THR 569 N 234 0.919E+00 0.452E-01 -0.176E-02 +TRP 628 CZ2 383 THR 569 CA 235 0.871E+00 0.545E-01 -0.222E-02 +TRP 628 CZ2 383 THR 569 C 236 0.848E+00 -0.118E+00 -0.230E-02 +TRP 628 CZ2 383 THR 569 O 237 0.763E+00 0.140E+00 -0.453E-02 +TRP 628 CZ2 383 THR 569 CB 238 0.995E+00 -0.389E-01 -0.100E-02 +TRP 628 CZ2 383 THR 569 CG2 240 0.104E+01 0.269E-01 -0.760E-03 +TRP 628 CZ2 383 VAL 570 N 243 0.936E+00 0.807E-01 -0.158E-02 +TRP 628 CZ2 383 VAL 570 CA 244 0.952E+00 0.908E-02 -0.130E-02 +TRP 628 CZ2 383 VAL 570 C 245 0.844E+00 -0.947E-01 -0.237E-02 +TRP 628 CZ2 383 VAL 570 O 246 0.813E+00 0.916E-01 -0.312E-02 +TRP 628 CZ2 383 TRP 571 N 251 0.813E+00 0.968E-01 -0.367E-02 +TRP 628 CZ2 383 TRP 571 CA 252 0.727E+00 0.554E-02 -0.654E-02 +TRP 628 CZ2 383 TRP 571 C 253 0.585E+00 -0.251E+00 -0.207E-01 +TRP 628 CZ2 383 TRP 571 O 254 0.539E+00 0.256E+00 -0.353E-01 +TRP 628 CZ2 383 TRP 571 CB 255 0.738E+00 0.264E-01 -0.597E-02 +TRP 628 CZ2 383 TRP 571 CG 256 0.671E+00 0.323E-01 -0.929E-02 +TRP 628 CZ2 383 TRP 571 CD1 257 0.755E+00 0.448E-01 -0.460E-02 +TRP 628 CZ2 383 TRP 571 CD2 258 0.555E+00 -0.436E-01 -0.281E-01 +TRP 628 CZ2 383 TRP 571 NE1 259 0.710E+00 0.863E-01 -0.821E-02 +TRP 628 CZ2 383 TRP 571 CE2 260 0.591E+00 -0.598E-01 -0.196E-01 +TRP 628 CZ2 383 TRP 571 CE3 261 0.449E+00 0.123E+00 -0.854E-01 +TRP 628 CZ2 383 TRP 571 CZ2 262 0.537E+00 0.110E+00 -0.335E-01 +TRP 628 CZ2 383 TRP 571 CZ3 263 0.375E+00 0.209E+00 -0.138E+00 +TRP 628 CZ2 383 TRP 571 CH2 264 0.429E+00 0.119E+00 -0.104E+00 +TRP 628 CZ2 383 TRP 571 HE1 266 0.771E+00 -0.800E-01 -0.142E-03 +TRP 628 CZ2 383 GLY 572 N 267 0.544E+00 0.189E+00 -0.388E-01 +TRP 628 CZ2 383 GLY 572 CA 268 0.428E+00 0.116E+00 -0.118E+00 +TRP 628 CZ2 383 GLY 572 C 269 0.461E+00 -0.435E+00 -0.754E-01 +TRP 628 CZ2 383 GLY 572 O 270 0.403E+00 0.536E+00 -0.160E+00 +TRP 628 CZ2 383 ILE 573 N 272 0.593E+00 0.188E+00 -0.235E-01 +TRP 628 CZ2 383 ILE 573 CA 273 0.679E+00 0.322E-01 -0.978E-02 +TRP 628 CZ2 383 ILE 573 C 274 0.694E+00 -0.172E+00 -0.763E-02 +TRP 628 CZ2 383 ILE 573 O 275 0.711E+00 0.179E+00 -0.694E-02 +TRP 628 CZ2 383 ILE 573 CB 276 0.825E+00 -0.137E-01 -0.307E-02 +TRP 628 CZ2 383 ILE 573 CG1 277 0.858E+00 -0.454E-02 -0.243E-02 +TRP 628 CZ2 383 ILE 573 CG2 278 0.924E+00 0.238E-01 -0.156E-02 +TRP 628 CZ2 383 ILE 573 CD1 279 0.100E+01 0.164E-01 -0.965E-03 +TRP 628 CZ2 383 LYS 574 N 281 0.727E+00 0.121E+00 -0.715E-02 +TRP 628 CZ2 383 LYS 574 CA 282 0.785E+00 0.939E-02 -0.414E-02 +TRP 628 CZ2 383 LYS 574 C 283 0.698E+00 -0.217E+00 -0.736E-02 +TRP 628 CZ2 383 LYS 574 O 284 0.757E+00 0.144E+00 -0.475E-02 +TRP 628 CZ2 383 LYS 574 CB 285 0.858E+00 0.223E-01 -0.243E-02 +TRP 628 CZ2 383 LYS 574 CG 286 0.974E+00 -0.557E-02 -0.114E-02 +TRP 628 CZ2 383 GLN 575 N 294 0.575E+00 0.173E+00 -0.282E-01 +TRP 628 CZ2 383 GLN 575 CA 295 0.507E+00 -0.220E-01 -0.521E-01 +TRP 628 CZ2 383 GLN 575 C 296 0.513E+00 -0.243E+00 -0.434E-01 +TRP 628 CZ2 383 GLN 575 O 297 0.584E+00 0.244E+00 -0.222E-01 +TRP 628 CZ2 383 GLN 575 CB 298 0.375E+00 0.406E-01 -0.156E+00 +TRP 628 CZ2 383 GLN 575 CG 299 0.418E+00 0.191E-01 -0.129E+00 +TRP 628 CZ2 383 GLN 575 CD 300 0.524E+00 -0.369E+00 -0.387E-01 +TRP 628 CZ2 383 GLN 575 OE1 301 0.531E+00 0.335E+00 -0.382E-01 +TRP 628 CZ2 383 GLN 575 NE2 302 0.641E+00 0.313E+00 -0.150E-01 +TRP 628 CZ2 383 LEU 576 N 306 0.486E+00 0.233E+00 -0.721E-01 +TRP 628 CZ2 383 LEU 576 CA 307 0.547E+00 0.504E-01 -0.342E-01 +TRP 628 CZ2 383 LEU 576 C 308 0.696E+00 -0.173E+00 -0.751E-02 +TRP 628 CZ2 383 LEU 576 O 309 0.772E+00 0.138E+00 -0.423E-02 +TRP 628 CZ2 383 LEU 576 CB 310 0.543E+00 0.731E-01 -0.357E-01 +TRP 628 CZ2 383 LEU 576 CG 311 0.426E+00 -0.175E+00 -0.121E+00 +TRP 628 CZ2 383 LEU 576 CD1 312 0.507E+00 0.732E-01 -0.522E-01 +TRP 628 CZ2 383 LEU 576 CD2 313 0.392E+00 0.139E+00 -0.154E+00 +TRP 628 CZ2 383 GLN 577 N 315 0.757E+00 0.993E-01 -0.559E-02 +TRP 628 CZ2 383 GLN 577 CA 316 0.901E+00 -0.705E-02 -0.182E-02 +TRP 628 CZ2 383 GLN 577 C 317 0.954E+00 -0.729E-01 -0.114E-02 +TRP 628 CZ2 383 GLN 577 CB 319 0.964E+00 0.549E-02 -0.121E-02 +TRP 628 CZ2 383 ALA 578 N 327 0.898E+00 0.775E-01 -0.201E-02 +TRP 628 CZ2 383 ALA 578 CA 328 0.979E+00 0.469E-02 -0.110E-02 +TRP 628 CZ2 383 ALA 578 C 329 0.101E+01 -0.911E-01 -0.811E-03 +TRP 628 CZ2 383 ALA 578 CB 331 0.929E+00 0.417E-01 -0.151E-02 +TRP 628 CZ2 383 ARG 579 N 333 0.926E+00 0.549E-01 -0.168E-02 +TRP 628 CZ2 383 ARG 579 CA 334 0.973E+00 0.221E-01 -0.115E-02 +TRP 628 CZ2 383 ARG 579 CB 337 0.867E+00 0.749E-02 -0.228E-02 +TRP 628 CZ2 383 ARG 579 CG 338 0.811E+00 -0.272E-02 -0.339E-02 +TRP 628 CZ2 383 ARG 579 CD 339 0.728E+00 -0.348E-01 -0.647E-02 +TRP 628 CZ2 383 ARG 579 NE 340 0.701E+00 -0.138E+00 -0.882E-02 +TRP 628 CZ2 383 ARG 579 CZ 341 0.616E+00 -0.218E+00 -0.154E-01 +TRP 628 CZ2 383 ARG 579 NH1 342 0.539E+00 0.354E+00 -0.408E-01 +TRP 628 CZ2 383 ARG 579 NH2 343 0.633E+00 0.249E+00 -0.161E-01 +TRP 628 CZ2 383 ARG 579 HE 345 0.768E+00 -0.300E-01 -0.144E-03 +TRP 628 CZ2 383 ILE 580 CG1 355 0.103E+01 -0.342E-02 -0.817E-03 +TRP 628 CZ2 383 ILE 580 CD1 357 0.902E+00 0.192E-01 -0.180E-02 +TRP 628 CZ3 384 GLN 567 C 215 0.104E+01 -0.502E-01 -0.699E-03 +TRP 628 CZ3 384 GLN 567 O 216 0.976E+00 0.739E-01 -0.105E-02 +TRP 628 CZ3 384 LEU 568 N 225 0.984E+00 0.458E-01 -0.116E-02 +TRP 628 CZ3 384 LEU 568 CA 226 0.851E+00 0.164E-01 -0.254E-02 +TRP 628 CZ3 384 LEU 568 C 227 0.757E+00 -0.114E+00 -0.454E-02 +TRP 628 CZ3 384 LEU 568 O 228 0.660E+00 0.145E+00 -0.108E-01 +TRP 628 CZ3 384 LEU 568 CB 229 0.859E+00 0.231E-01 -0.242E-02 +TRP 628 CZ3 384 LEU 568 CG 230 0.977E+00 -0.250E-01 -0.111E-02 +TRP 628 CZ3 384 LEU 568 CD1 231 0.101E+01 0.154E-01 -0.940E-03 +TRP 628 CZ3 384 LEU 568 CD2 232 0.978E+00 0.160E-01 -0.111E-02 +TRP 628 CZ3 384 THR 569 N 234 0.809E+00 0.434E-01 -0.376E-02 +TRP 628 CZ3 384 THR 569 CA 235 0.766E+00 0.529E-01 -0.479E-02 +TRP 628 CZ3 384 THR 569 C 236 0.785E+00 -0.105E+00 -0.367E-02 +TRP 628 CZ3 384 THR 569 O 237 0.717E+00 0.122E+00 -0.659E-02 +TRP 628 CZ3 384 THR 569 CB 238 0.876E+00 -0.368E-01 -0.214E-02 +TRP 628 CZ3 384 THR 569 OG1 239 0.100E+01 0.756E-01 -0.982E-03 +TRP 628 CZ3 384 THR 569 CG2 240 0.892E+00 0.265E-01 -0.193E-02 +TRP 628 CZ3 384 THR 569 HG1 242 0.103E+01 -0.492E-01 0.000E+00 +TRP 628 CZ3 384 VAL 570 N 243 0.891E+00 0.678E-01 -0.212E-02 +TRP 628 CZ3 384 VAL 570 CA 244 0.943E+00 0.716E-02 -0.138E-02 +TRP 628 CZ3 384 VAL 570 C 245 0.863E+00 -0.710E-01 -0.209E-02 +TRP 628 CZ3 384 VAL 570 O 246 0.861E+00 0.645E-01 -0.220E-02 +TRP 628 CZ3 384 TRP 571 N 251 0.823E+00 0.737E-01 -0.341E-02 +TRP 628 CZ3 384 TRP 571 CA 252 0.764E+00 0.392E-02 -0.484E-02 +TRP 628 CZ3 384 TRP 571 C 253 0.634E+00 -0.165E+00 -0.130E-01 +TRP 628 CZ3 384 TRP 571 O 254 0.634E+00 0.139E+00 -0.136E-01 +TRP 628 CZ3 384 TRP 571 CB 255 0.758E+00 0.195E-01 -0.510E-02 +TRP 628 CZ3 384 TRP 571 CG 256 0.720E+00 0.219E-01 -0.613E-02 +TRP 628 CZ3 384 TRP 571 CD1 257 0.830E+00 0.295E-01 -0.263E-02 +TRP 628 CZ3 384 TRP 571 CD2 258 0.606E+00 -0.279E-01 -0.170E-01 +TRP 628 CZ3 384 TRP 571 NE1 259 0.803E+00 0.535E-01 -0.394E-02 +TRP 628 CZ3 384 TRP 571 CE2 260 0.676E+00 -0.352E-01 -0.890E-02 +TRP 628 CZ3 384 TRP 571 CE3 261 0.470E+00 0.855E-01 -0.689E-01 +TRP 628 CZ3 384 TRP 571 CZ2 262 0.637E+00 0.589E-01 -0.126E-01 +TRP 628 CZ3 384 TRP 571 CZ3 263 0.410E+00 0.128E+00 -0.122E+00 +TRP 628 CZ3 384 TRP 571 CH2 264 0.511E+00 0.604E-01 -0.444E-01 +TRP 628 CZ3 384 TRP 571 HE1 266 0.878E+00 -0.497E-01 -0.646E-04 +TRP 628 CZ3 384 GLY 572 N 267 0.550E+00 0.143E+00 -0.364E-01 +TRP 628 CZ3 384 GLY 572 CA 268 0.435E+00 0.869E-01 -0.111E+00 +TRP 628 CZ3 384 GLY 572 C 269 0.510E+00 -0.265E+00 -0.447E-01 +TRP 628 CZ3 384 GLY 572 O 270 0.501E+00 0.242E+00 -0.536E-01 +TRP 628 CZ3 384 ILE 573 N 272 0.628E+00 0.130E+00 -0.169E-01 +TRP 628 CZ3 384 ILE 573 CA 273 0.735E+00 0.215E-01 -0.609E-02 +TRP 628 CZ3 384 ILE 573 C 274 0.795E+00 -0.104E+00 -0.339E-02 +TRP 628 CZ3 384 ILE 573 O 275 0.834E+00 0.104E+00 -0.268E-02 +TRP 628 CZ3 384 ILE 573 CB 276 0.861E+00 -0.988E-02 -0.238E-02 +TRP 628 CZ3 384 ILE 573 CG1 277 0.853E+00 -0.356E-02 -0.252E-02 +TRP 628 CZ3 384 ILE 573 CG2 278 0.979E+00 0.169E-01 -0.110E-02 +TRP 628 CZ3 384 ILE 573 CD1 279 0.984E+00 0.130E-01 -0.107E-02 +TRP 628 CZ3 384 LYS 574 N 281 0.837E+00 0.729E-01 -0.308E-02 +TRP 628 CZ3 384 LYS 574 CA 282 0.925E+00 0.554E-02 -0.155E-02 +TRP 628 CZ3 384 LYS 574 C 283 0.869E+00 -0.114E+00 -0.200E-02 +TRP 628 CZ3 384 LYS 574 O 284 0.946E+00 0.772E-01 -0.126E-02 +TRP 628 CZ3 384 LYS 574 CB 285 0.993E+00 0.138E-01 -0.101E-02 +TRP 628 CZ3 384 GLN 575 N 294 0.750E+00 0.786E-01 -0.593E-02 +TRP 628 CZ3 384 GLN 575 CA 295 0.713E+00 -0.827E-02 -0.734E-02 +TRP 628 CZ3 384 GLN 575 C 296 0.725E+00 -0.905E-01 -0.587E-02 +TRP 628 CZ3 384 GLN 575 O 297 0.808E+00 0.100E+00 -0.323E-02 +TRP 628 CZ3 384 GLN 575 CB 298 0.584E+00 0.107E-01 -0.236E-01 +TRP 628 CZ3 384 GLN 575 CG 299 0.604E+00 0.623E-02 -0.193E-01 +TRP 628 CZ3 384 GLN 575 CD 300 0.722E+00 -0.146E+00 -0.602E-02 +TRP 628 CZ3 384 GLN 575 OE1 301 0.744E+00 0.129E+00 -0.529E-02 +TRP 628 CZ3 384 GLN 575 NE2 302 0.825E+00 0.151E+00 -0.335E-02 +TRP 628 CZ3 384 LEU 576 N 306 0.674E+00 0.884E-01 -0.112E-01 +TRP 628 CZ3 384 LEU 576 CA 307 0.725E+00 0.218E-01 -0.663E-02 +TRP 628 CZ3 384 LEU 576 C 308 0.874E+00 -0.891E-01 -0.193E-02 +TRP 628 CZ3 384 LEU 576 O 309 0.955E+00 0.753E-01 -0.118E-02 +TRP 628 CZ3 384 LEU 576 CB 310 0.678E+00 0.355E-01 -0.988E-02 +TRP 628 CZ3 384 LEU 576 CG 311 0.536E+00 -0.780E-01 -0.383E-01 +TRP 628 CZ3 384 LEU 576 CD1 312 0.553E+00 0.466E-01 -0.322E-01 +TRP 628 CZ3 384 LEU 576 CD2 313 0.526E+00 0.522E-01 -0.427E-01 +TRP 628 CZ3 384 GLN 577 N 315 0.928E+00 0.547E-01 -0.166E-02 +TRP 628 CZ3 384 ARG 579 CG 338 0.104E+01 -0.142E-02 -0.756E-03 +TRP 628 CZ3 384 ARG 579 CD 339 0.956E+00 -0.170E-01 -0.127E-02 +TRP 628 CZ3 384 ARG 579 NE 340 0.934E+00 -0.650E-01 -0.159E-02 +TRP 628 CZ3 384 ARG 579 CZ 341 0.842E+00 -0.937E-01 -0.241E-02 +TRP 628 CZ3 384 ARG 579 NH1 342 0.754E+00 0.138E+00 -0.572E-02 +TRP 628 CZ3 384 ARG 579 NH2 343 0.853E+00 0.111E+00 -0.274E-02 +TRP 628 CZ3 384 ARG 579 HE 345 0.100E+01 -0.150E-01 -0.289E-04 +TRP 628 CH2 385 GLN 567 C 215 0.103E+01 -0.410E-01 -0.718E-03 +TRP 628 CH2 385 GLN 567 O 216 0.957E+00 0.617E-01 -0.117E-02 +TRP 628 CH2 385 LEU 568 N 225 0.997E+00 0.365E-01 -0.108E-02 +TRP 628 CH2 385 LEU 568 CA 226 0.872E+00 0.128E-01 -0.221E-02 +TRP 628 CH2 385 LEU 568 C 227 0.768E+00 -0.903E-01 -0.418E-02 +TRP 628 CH2 385 LEU 568 O 228 0.659E+00 0.118E+00 -0.109E-01 +TRP 628 CH2 385 LEU 568 CB 229 0.902E+00 0.173E-01 -0.180E-02 +TRP 628 CH2 385 LEU 568 CG 230 0.103E+01 -0.189E-01 -0.832E-03 +TRP 628 CH2 385 LEU 568 CD2 232 0.102E+01 0.122E-01 -0.868E-03 +TRP 628 CH2 385 THR 569 N 234 0.819E+00 0.344E-01 -0.349E-02 +TRP 628 CH2 385 THR 569 CA 235 0.764E+00 0.431E-01 -0.484E-02 +TRP 628 CH2 385 THR 569 C 236 0.756E+00 -0.908E-01 -0.458E-02 +TRP 628 CH2 385 THR 569 O 237 0.674E+00 0.112E+00 -0.956E-02 +TRP 628 CH2 385 THR 569 CB 238 0.880E+00 -0.297E-01 -0.209E-02 +TRP 628 CH2 385 THR 569 OG1 239 0.999E+00 0.617E-01 -0.100E-02 +TRP 628 CH2 385 THR 569 CG2 240 0.918E+00 0.205E-01 -0.162E-02 +TRP 628 CH2 385 THR 569 HG1 242 0.103E+01 -0.398E-01 0.000E+00 +TRP 628 CH2 385 VAL 570 N 243 0.856E+00 0.588E-01 -0.269E-02 +TRP 628 CH2 385 VAL 570 CA 244 0.888E+00 0.639E-02 -0.198E-02 +TRP 628 CH2 385 VAL 570 C 245 0.797E+00 -0.660E-01 -0.335E-02 +TRP 628 CH2 385 VAL 570 O 246 0.778E+00 0.624E-01 -0.405E-02 +TRP 628 CH2 385 VAL 570 CB 247 0.103E+01 -0.387E-01 -0.819E-03 +TRP 628 CH2 385 TRP 571 N 251 0.769E+00 0.673E-01 -0.509E-02 +TRP 628 CH2 385 TRP 571 CA 252 0.704E+00 0.371E-02 -0.790E-02 +TRP 628 CH2 385 TRP 571 C 253 0.561E+00 -0.173E+00 -0.262E-01 +TRP 628 CH2 385 TRP 571 O 254 0.542E+00 0.159E+00 -0.342E-01 +TRP 628 CH2 385 TRP 571 CB 255 0.718E+00 0.175E-01 -0.700E-02 +TRP 628 CH2 385 TRP 571 CG 256 0.677E+00 0.200E-01 -0.879E-02 +TRP 628 CH2 385 TRP 571 CD1 257 0.781E+00 0.266E-01 -0.378E-02 +TRP 628 CH2 385 TRP 571 CD2 258 0.569E+00 -0.259E-01 -0.242E-01 +TRP 628 CH2 385 TRP 571 NE1 259 0.755E+00 0.485E-01 -0.570E-02 +TRP 628 CH2 385 TRP 571 CE2 260 0.635E+00 -0.324E-01 -0.129E-01 +TRP 628 CH2 385 TRP 571 CE3 261 0.448E+00 0.779E-01 -0.863E-01 +TRP 628 CH2 385 TRP 571 CZ2 262 0.602E+00 0.537E-01 -0.175E-01 +TRP 628 CH2 385 TRP 571 CZ3 263 0.399E+00 0.112E+00 -0.132E+00 +TRP 628 CH2 385 TRP 571 CH2 264 0.490E+00 0.540E-01 -0.553E-01 +TRP 628 CH2 385 TRP 571 HE1 266 0.828E+00 -0.445E-01 -0.921E-04 +TRP 628 CH2 385 GLY 572 N 267 0.490E+00 0.152E+00 -0.690E-01 +TRP 628 CH2 385 GLY 572 CA 268 0.362E+00 0.114E+00 -0.136E+00 +TRP 628 CH2 385 GLY 572 C 269 0.409E+00 -0.369E+00 -0.123E+00 +TRP 628 CH2 385 GLY 572 O 270 0.378E+00 0.399E+00 -0.199E+00 +TRP 628 CH2 385 ILE 573 N 272 0.535E+00 0.149E+00 -0.424E-01 +TRP 628 CH2 385 ILE 573 CA 273 0.632E+00 0.235E-01 -0.149E-01 +TRP 628 CH2 385 ILE 573 C 274 0.677E+00 -0.114E+00 -0.883E-02 +TRP 628 CH2 385 ILE 573 O 275 0.707E+00 0.114E+00 -0.718E-02 +TRP 628 CH2 385 ILE 573 CB 276 0.768E+00 -0.977E-02 -0.470E-02 +TRP 628 CH2 385 ILE 573 CG1 277 0.778E+00 -0.338E-02 -0.434E-02 +TRP 628 CH2 385 ILE 573 CG2 278 0.878E+00 0.163E-01 -0.212E-02 +TRP 628 CH2 385 ILE 573 CD1 279 0.918E+00 0.118E-01 -0.162E-02 +TRP 628 CH2 385 LYS 574 N 281 0.720E+00 0.774E-01 -0.752E-02 +TRP 628 CH2 385 LYS 574 CA 282 0.802E+00 0.569E-02 -0.364E-02 +TRP 628 CH2 385 LYS 574 C 283 0.738E+00 -0.123E+00 -0.527E-02 +TRP 628 CH2 385 LYS 574 O 284 0.811E+00 0.806E-01 -0.316E-02 +TRP 628 CH2 385 LYS 574 CB 285 0.878E+00 0.135E-01 -0.212E-02 +TRP 628 CH2 385 LYS 574 CG 286 0.978E+00 -0.349E-02 -0.111E-02 +TRP 628 CH2 385 GLN 575 N 294 0.621E+00 0.923E-01 -0.180E-01 +TRP 628 CH2 385 GLN 575 CA 295 0.582E+00 -0.102E-01 -0.241E-01 +TRP 628 CH2 385 GLN 575 C 296 0.588E+00 -0.112E+00 -0.201E-01 +TRP 628 CH2 385 GLN 575 O 297 0.673E+00 0.114E+00 -0.960E-02 +TRP 628 CH2 385 GLN 575 CB 298 0.460E+00 0.152E-01 -0.863E-01 +TRP 628 CH2 385 GLN 575 CG 299 0.502E+00 0.768E-02 -0.550E-01 +TRP 628 CH2 385 GLN 575 CD 300 0.626E+00 -0.157E+00 -0.140E-01 +TRP 628 CH2 385 GLN 575 OE1 301 0.651E+00 0.136E+00 -0.117E-01 +TRP 628 CH2 385 GLN 575 NE2 302 0.732E+00 0.152E+00 -0.682E-02 +TRP 628 CH2 385 LEU 576 N 306 0.535E+00 0.117E+00 -0.425E-01 +TRP 628 CH2 385 LEU 576 CA 307 0.591E+00 0.268E-01 -0.221E-01 +TRP 628 CH2 385 LEU 576 C 308 0.739E+00 -0.970E-01 -0.525E-02 +TRP 628 CH2 385 LEU 576 O 309 0.823E+00 0.778E-01 -0.289E-02 +TRP 628 CH2 385 LEU 576 CB 310 0.553E+00 0.442E-01 -0.322E-01 +TRP 628 CH2 385 LEU 576 CG 311 0.419E+00 -0.115E+00 -0.128E+00 +TRP 628 CH2 385 LEU 576 CD1 312 0.461E+00 0.578E-01 -0.846E-01 +TRP 628 CH2 385 LEU 576 CD2 313 0.418E+00 0.742E-01 -0.130E+00 +TRP 628 CH2 385 GLN 577 N 315 0.791E+00 0.578E-01 -0.430E-02 +TRP 628 CH2 385 GLN 577 CA 316 0.936E+00 -0.418E-02 -0.145E-02 +TRP 628 CH2 385 GLN 577 C 317 0.101E+01 -0.423E-01 -0.819E-03 +TRP 628 CH2 385 GLN 577 CB 319 0.986E+00 0.334E-02 -0.106E-02 +TRP 628 CH2 385 ALA 578 N 327 0.965E+00 0.437E-01 -0.131E-02 +TRP 628 CH2 385 ALA 578 CB 331 0.102E+01 0.228E-01 -0.860E-03 +TRP 628 CH2 385 ARG 579 N 333 0.101E+01 0.302E-01 -0.978E-03 +TRP 628 CH2 385 ARG 579 CB 337 0.966E+00 0.398E-02 -0.119E-02 +TRP 628 CH2 385 ARG 579 CG 338 0.924E+00 -0.138E-02 -0.156E-02 +TRP 628 CH2 385 ARG 579 CD 339 0.848E+00 -0.167E-01 -0.261E-02 +TRP 628 CH2 385 ARG 579 NE 340 0.832E+00 -0.637E-01 -0.319E-02 +TRP 628 CH2 385 ARG 579 CZ 341 0.751E+00 -0.929E-01 -0.476E-02 +TRP 628 CH2 385 ARG 579 NH1 342 0.671E+00 0.140E+00 -0.115E-01 +TRP 628 CH2 385 ARG 579 NH2 343 0.772E+00 0.107E+00 -0.496E-02 +TRP 628 CH2 385 ARG 579 HE 345 0.900E+00 -0.144E-01 -0.560E-04 +TRP 628 CH2 385 ILE 580 CD1 357 0.939E+00 0.114E-01 -0.141E-02 +TRP 628 HE1 387 LEU 568 O 228 0.952E+00 -0.149E+00 -0.334E-04 +TRP 628 HE1 387 THR 569 O 237 0.101E+01 -0.135E+00 -0.235E-04 +TRP 628 HE1 387 VAL 570 C 245 0.103E+01 0.106E+00 -0.244E-04 +TRP 628 HE1 387 VAL 570 O 246 0.991E+00 -0.102E+00 -0.264E-04 +TRP 628 HE1 387 TRP 571 N 251 0.990E+00 -0.108E+00 -0.361E-04 +TRP 628 HE1 387 TRP 571 CA 252 0.876E+00 -0.608E-02 -0.739E-04 +TRP 628 HE1 387 TRP 571 C 253 0.753E+00 0.231E+00 -0.163E-03 +TRP 628 HE1 387 TRP 571 O 254 0.677E+00 -0.240E+00 -0.258E-03 +TRP 628 HE1 387 TRP 571 CB 255 0.870E+00 -0.302E-01 -0.775E-04 +TRP 628 HE1 387 TRP 571 CG 256 0.760E+00 -0.389E-01 -0.154E-03 +TRP 628 HE1 387 TRP 571 CD1 257 0.802E+00 -0.614E-01 -0.111E-03 +TRP 628 HE1 387 TRP 571 CD2 258 0.636E+00 0.495E-01 -0.448E-03 +TRP 628 HE1 387 TRP 571 NE1 259 0.716E+00 -0.130E+00 -0.253E-03 +TRP 628 HE1 387 TRP 571 CE2 260 0.607E+00 0.862E-01 -0.595E-03 +TRP 628 HE1 387 TRP 571 CE3 261 0.568E+00 -0.108E+00 -0.883E-03 +TRP 628 HE1 387 TRP 571 CZ2 262 0.505E+00 -0.194E+00 -0.178E-02 +TRP 628 HE1 387 TRP 571 CZ3 263 0.456E+00 -0.192E+00 -0.325E-02 +TRP 628 HE1 387 TRP 571 CH2 264 0.418E+00 -0.194E+00 -0.545E-02 +TRP 628 HE1 387 TRP 571 HE1 266 0.743E+00 0.131E+00 -0.906E-06 +TRP 628 HE1 387 GLY 572 N 267 0.753E+00 -0.148E+00 -0.186E-03 +TRP 628 HE1 387 GLY 572 CA 268 0.665E+00 -0.648E-01 -0.386E-03 +TRP 628 HE1 387 GLY 572 C 269 0.690E+00 0.271E+00 -0.274E-03 +TRP 628 HE1 387 GLY 572 O 270 0.613E+00 -0.302E+00 -0.468E-03 +TRP 628 HE1 387 ILE 573 N 272 0.820E+00 -0.153E+00 -0.112E-03 +TRP 628 HE1 387 ILE 573 CA 273 0.892E+00 -0.301E-01 -0.667E-04 +TRP 628 HE1 387 ILE 573 C 274 0.866E+00 0.176E+00 -0.705E-04 +TRP 628 HE1 387 ILE 573 O 275 0.863E+00 -0.193E+00 -0.602E-04 +TRP 628 HE1 387 ILE 573 CB 276 0.104E+01 0.144E-01 -0.260E-04 +TRP 628 HE1 387 LYS 574 N 281 0.877E+00 -0.132E+00 -0.746E-04 +TRP 628 HE1 387 LYS 574 CA 282 0.892E+00 -0.115E-01 -0.664E-04 +TRP 628 HE1 387 LYS 574 C 283 0.771E+00 0.275E+00 -0.141E-03 +TRP 628 HE1 387 LYS 574 O 284 0.799E+00 -0.200E+00 -0.956E-04 +TRP 628 HE1 387 LYS 574 CB 285 0.951E+00 -0.288E-01 -0.453E-04 +TRP 628 HE1 387 GLN 575 N 294 0.651E+00 -0.203E+00 -0.448E-03 +TRP 628 HE1 387 GLN 575 CA 295 0.533E+00 0.299E-01 -0.145E-02 +TRP 628 HE1 387 GLN 575 C 296 0.540E+00 0.328E+00 -0.119E-02 +TRP 628 HE1 387 GLN 575 O 297 0.561E+00 -0.406E+00 -0.795E-03 +TRP 628 HE1 387 GLN 575 CB 298 0.409E+00 -0.494E-01 -0.696E-02 +TRP 628 HE1 387 GLN 575 CG 299 0.422E+00 -0.284E-01 -0.577E-02 +TRP 628 HE1 387 GLN 575 CD 300 0.443E+00 0.840E+00 -0.384E-02 +TRP 628 HE1 387 GLN 575 OE1 301 0.386E+00 -0.113E+01 -0.737E-02 +TRP 628 HE1 387 GLN 575 NE2 302 0.569E+00 -0.615E+00 -0.995E-03 +TRP 628 HE1 387 LEU 576 N 306 0.575E+00 -0.242E+00 -0.939E-03 +TRP 628 HE1 387 LEU 576 CA 307 0.631E+00 -0.564E-01 -0.528E-03 +TRP 628 HE1 387 LEU 576 C 308 0.762E+00 0.222E+00 -0.151E-03 +TRP 628 HE1 387 LEU 576 O 309 0.812E+00 -0.193E+00 -0.869E-04 +TRP 628 HE1 387 LEU 576 CB 310 0.683E+00 -0.686E-01 -0.330E-03 +TRP 628 HE1 387 LEU 576 CG 311 0.602E+00 0.119E+00 -0.704E-03 +TRP 628 HE1 387 LEU 576 CD1 312 0.716E+00 -0.535E-01 -0.249E-03 +TRP 628 HE1 387 LEU 576 CD2 313 0.517E+00 -0.107E+00 -0.175E-02 +TRP 628 HE1 387 GLN 577 N 315 0.839E+00 -0.126E+00 -0.975E-04 +TRP 628 HE1 387 GLN 577 CA 316 0.970E+00 0.958E-02 -0.401E-04 +TRP 628 HE1 387 GLN 577 C 317 0.981E+00 0.107E+00 -0.333E-04 +TRP 628 HE1 387 ALA 578 N 327 0.900E+00 -0.118E+00 -0.642E-04 +TRP 628 HE1 387 ALA 578 CA 328 0.941E+00 -0.760E-02 -0.482E-04 +TRP 628 HE1 387 ALA 578 C 329 0.950E+00 0.152E+00 -0.405E-04 +TRP 628 HE1 387 ALA 578 O 330 0.104E+01 -0.129E+00 -0.193E-04 +TRP 628 HE1 387 ALA 578 CB 331 0.866E+00 -0.713E-01 -0.796E-04 +TRP 628 HE1 387 ARG 579 N 333 0.870E+00 -0.926E-01 -0.784E-04 +TRP 628 HE1 387 ARG 579 CA 334 0.896E+00 -0.384E-01 -0.645E-04 +TRP 628 HE1 387 ARG 579 C 335 0.998E+00 0.181E+00 -0.300E-04 +TRP 628 HE1 387 ARG 579 CB 337 0.773E+00 -0.139E-01 -0.157E-03 +TRP 628 HE1 387 ARG 579 CG 338 0.681E+00 0.575E-02 -0.335E-03 +TRP 628 HE1 387 ARG 579 CD 339 0.570E+00 0.876E-01 -0.975E-03 +TRP 628 HE1 387 ARG 579 NE 340 0.503E+00 0.431E+00 -0.210E-02 +TRP 628 HE1 387 ARG 579 CZ 341 0.387E+00 0.101E+01 -0.849E-02 +TRP 628 HE1 387 ARG 579 NH1 342 0.322E+00 -0.202E+01 -0.278E-01 +TRP 628 HE1 387 ARG 579 NH2 343 0.376E+00 -0.132E+01 -0.116E-01 +TRP 628 HE1 387 ARG 579 HE 345 0.565E+00 0.850E-01 -0.467E-05 +TRP 628 HE1 387 ILE 580 N 350 0.104E+01 -0.105E+00 -0.263E-04 +TRP 628 HE1 387 ILE 580 CG1 355 0.105E+01 0.509E-02 -0.252E-04 +TRP 628 HE1 387 ILE 580 CD1 357 0.946E+00 -0.272E-01 -0.467E-04 +MET 629 N 388 TRP 571 CG 256 0.102E+01 0.297E-01 -0.966E-03 +MET 629 N 388 TRP 571 CD2 258 0.888E+00 -0.328E-01 -0.215E-02 +MET 629 N 388 TRP 571 NE1 259 0.989E+00 0.920E-01 -0.139E-02 +MET 629 N 388 TRP 571 CE2 260 0.874E+00 -0.531E-01 -0.237E-02 +MET 629 N 388 TRP 571 CE3 261 0.799E+00 0.672E-01 -0.405E-02 +MET 629 N 388 TRP 571 CZ2 262 0.771E+00 0.980E-01 -0.501E-02 +MET 629 N 388 TRP 571 CZ3 263 0.685E+00 0.952E-01 -0.101E-01 +MET 629 N 388 TRP 571 CH2 264 0.669E+00 0.809E-01 -0.116E-01 +MET 629 N 388 TRP 571 HE1 266 0.102E+01 -0.953E-01 -0.306E-04 +MET 629 N 388 GLN 575 CG 299 0.996E+00 0.611E-02 -0.123E-02 +MET 629 N 388 GLN 575 CD 300 0.102E+01 -0.197E+00 -0.935E-03 +MET 629 N 388 GLN 575 OE1 301 0.995E+00 0.192E+00 -0.113E-02 +MET 629 N 388 ARG 579 NH1 342 0.102E+01 0.204E+00 -0.119E-02 +MET 629 N 388 ARG 579 NH2 343 0.102E+01 0.204E+00 -0.118E-02 +MET 629 CA 389 TRP 571 CD2 258 0.991E+00 -0.617E-02 -0.102E-02 +MET 629 CA 389 TRP 571 CE2 260 0.986E+00 -0.981E-02 -0.106E-02 +MET 629 CA 389 TRP 571 CE3 261 0.901E+00 0.122E-01 -0.182E-02 +MET 629 CA 389 TRP 571 CZ2 262 0.892E+00 0.170E-01 -0.192E-02 +MET 629 CA 389 TRP 571 CZ3 263 0.797E+00 0.160E-01 -0.376E-02 +MET 629 CA 389 TRP 571 CH2 264 0.793E+00 0.131E-01 -0.389E-02 +MET 629 C 390 LEU 568 CB 229 0.104E+01 -0.624E-01 -0.749E-03 +MET 629 C 390 LEU 568 CG 230 0.105E+01 0.830E-01 -0.741E-03 +MET 629 C 390 LEU 568 CD1 231 0.987E+00 -0.579E-01 -0.105E-02 +MET 629 C 390 LEU 568 CD2 232 0.100E+01 -0.567E-01 -0.966E-03 +MET 629 C 390 TRP 571 CD2 258 0.957E+00 0.444E-01 -0.112E-02 +MET 629 C 390 TRP 571 CE2 260 0.957E+00 0.700E-01 -0.112E-02 +MET 629 C 390 TRP 571 CE3 261 0.876E+00 -0.873E-01 -0.191E-02 +MET 629 C 390 TRP 571 CZ2 262 0.878E+00 -0.119E+00 -0.188E-02 +MET 629 C 390 TRP 571 CZ3 263 0.790E+00 -0.111E+00 -0.353E-02 +MET 629 C 390 TRP 571 CH2 264 0.791E+00 -0.897E-01 -0.350E-02 +MET 629 O 391 LEU 568 CB 229 0.101E+01 0.614E-01 -0.937E-03 +MET 629 O 391 LEU 568 CG 230 0.101E+01 -0.824E-01 -0.961E-03 +MET 629 O 391 LEU 568 CD1 231 0.934E+00 0.593E-01 -0.153E-02 +MET 629 O 391 LEU 568 CD2 232 0.977E+00 0.554E-01 -0.117E-02 +MET 629 O 391 TRP 571 CD2 258 0.101E+01 -0.387E-01 -0.859E-03 +MET 629 O 391 TRP 571 CE2 260 0.102E+01 -0.599E-01 -0.791E-03 +MET 629 O 391 TRP 571 CE3 261 0.923E+00 0.757E-01 -0.145E-02 +MET 629 O 391 TRP 571 CZ2 262 0.955E+00 0.983E-01 -0.118E-02 +MET 629 O 391 TRP 571 CZ3 263 0.850E+00 0.922E-01 -0.239E-02 +MET 629 O 391 TRP 571 CH2 264 0.867E+00 0.723E-01 -0.211E-02 +MET 629 CB 392 TRP 571 CE3 261 0.104E+01 -0.213E-02 -0.693E-03 +MET 629 CB 392 TRP 571 CZ2 262 0.100E+01 -0.307E-02 -0.848E-03 +MET 629 CB 392 TRP 571 CZ3 263 0.929E+00 -0.268E-02 -0.134E-02 +MET 629 CB 392 TRP 571 CH2 264 0.910E+00 -0.225E-02 -0.152E-02 +MET 629 CG 393 TRP 571 CZ2 262 0.983E+00 0.346E-01 -0.108E-02 +MET 629 CG 393 TRP 571 CZ3 263 0.940E+00 0.288E-01 -0.141E-02 +MET 629 CG 393 TRP 571 CH2 264 0.899E+00 0.251E-01 -0.184E-02 +MET 629 SD 394 TRP 571 CH2 264 0.105E+01 0.203E-01 -0.129E-02 +GLU 630 N 397 LEU 568 CB 229 0.101E+01 0.461E-01 -0.112E-02 +GLU 630 N 397 LEU 568 CG 230 0.100E+01 -0.620E-01 -0.116E-02 +GLU 630 N 397 LEU 568 CD1 231 0.957E+00 0.427E-01 -0.155E-02 +GLU 630 N 397 LEU 568 CD2 232 0.942E+00 0.438E-01 -0.171E-02 +GLU 630 N 397 TRP 571 CG 256 0.988E+00 0.331E-01 -0.114E-02 +GLU 630 N 397 TRP 571 CD1 257 0.103E+01 0.539E-01 -0.867E-03 +GLU 630 N 397 TRP 571 CD2 258 0.883E+00 -0.355E-01 -0.223E-02 +GLU 630 N 397 TRP 571 NE1 259 0.965E+00 0.102E+00 -0.161E-02 +GLU 630 N 397 TRP 571 CE2 260 0.871E+00 -0.572E-01 -0.242E-02 +GLU 630 N 397 TRP 571 CE3 261 0.818E+00 0.691E-01 -0.353E-02 +GLU 630 N 397 TRP 571 CZ2 262 0.794E+00 0.997E-01 -0.421E-02 +GLU 630 N 397 TRP 571 CZ3 263 0.736E+00 0.889E-01 -0.662E-02 +GLU 630 N 397 TRP 571 CH2 264 0.723E+00 0.746E-01 -0.737E-02 +GLU 630 N 397 TRP 571 HE1 266 0.992E+00 -0.106E+00 -0.358E-04 +GLU 630 CA 398 LEU 568 CA 226 0.102E+01 -0.242E-02 -0.988E-03 +GLU 630 CA 398 LEU 568 O 228 0.103E+01 -0.131E-01 -0.850E-03 +GLU 630 CA 398 LEU 568 CB 229 0.939E+00 -0.390E-02 -0.160E-02 +GLU 630 CA 398 LEU 568 CG 230 0.914E+00 0.542E-02 -0.188E-02 +GLU 630 CA 398 LEU 568 CD1 231 0.862E+00 -0.382E-02 -0.266E-02 +GLU 630 CA 398 LEU 568 CD2 232 0.845E+00 -0.395E-02 -0.301E-02 +GLU 630 CA 398 TRP 571 CB 255 0.104E+01 -0.229E-02 -0.882E-03 +GLU 630 CA 398 TRP 571 CG 256 0.960E+00 -0.262E-02 -0.124E-02 +GLU 630 CA 398 TRP 571 CD1 257 0.100E+01 -0.427E-02 -0.958E-03 +GLU 630 CA 398 TRP 571 CD2 258 0.870E+00 0.275E-02 -0.223E-02 +GLU 630 CA 398 TRP 571 NE1 259 0.945E+00 -0.799E-02 -0.168E-02 +GLU 630 CA 398 TRP 571 CE2 260 0.864E+00 0.439E-02 -0.234E-02 +GLU 630 CA 398 TRP 571 CE3 261 0.819E+00 -0.522E-02 -0.322E-02 +GLU 630 CA 398 TRP 571 CZ2 262 0.806E+00 -0.735E-02 -0.354E-02 +GLU 630 CA 398 TRP 571 CZ3 263 0.758E+00 -0.636E-02 -0.508E-02 +GLU 630 CA 398 TRP 571 CH2 264 0.751E+00 -0.525E-02 -0.537E-02 +GLU 630 CA 398 TRP 571 HE1 266 0.972E+00 0.826E-02 -0.397E-04 +GLU 630 C 399 LEU 565 CD2 202 0.105E+01 -0.415E-01 -0.732E-03 +GLU 630 C 399 LEU 568 N 225 0.100E+01 -0.128E+00 -0.105E-02 +GLU 630 C 399 LEU 568 CA 226 0.879E+00 -0.446E-01 -0.210E-02 +GLU 630 C 399 LEU 568 C 227 0.930E+00 0.231E+00 -0.133E-02 +GLU 630 C 399 LEU 568 O 228 0.900E+00 -0.237E+00 -0.169E-02 +GLU 630 C 399 LEU 568 CB 229 0.794E+00 -0.756E-01 -0.387E-02 +GLU 630 C 399 LEU 568 CG 230 0.772E+00 0.106E+00 -0.455E-02 +GLU 630 C 399 LEU 568 CD1 231 0.718E+00 -0.776E-01 -0.702E-02 +GLU 630 C 399 LEU 568 CD2 232 0.714E+00 -0.784E-01 -0.724E-02 +GLU 630 C 399 THR 569 N 234 0.103E+01 -0.844E-01 -0.872E-03 +GLU 630 C 399 TRP 571 C 253 0.105E+01 0.197E+00 -0.649E-03 +GLU 630 C 399 TRP 571 CB 255 0.937E+00 -0.390E-01 -0.143E-02 +GLU 630 C 399 TRP 571 CG 256 0.878E+00 -0.443E-01 -0.188E-02 +GLU 630 C 399 TRP 571 CD1 257 0.935E+00 -0.696E-01 -0.129E-02 +GLU 630 C 399 TRP 571 CD2 258 0.795E+00 0.472E-01 -0.340E-02 +GLU 630 C 399 TRP 571 NE1 259 0.894E+00 -0.128E+00 -0.207E-02 +GLU 630 C 399 TRP 571 CE2 260 0.810E+00 0.719E-01 -0.303E-02 +GLU 630 C 399 TRP 571 CE3 261 0.736E+00 -0.927E-01 -0.537E-02 +GLU 630 C 399 TRP 571 CZ2 262 0.771E+00 -0.117E+00 -0.408E-02 +GLU 630 C 399 TRP 571 CZ3 263 0.693E+00 -0.111E+00 -0.765E-02 +GLU 630 C 399 TRP 571 CH2 264 0.712E+00 -0.853E-01 -0.655E-02 +GLU 630 C 399 TRP 571 HE1 266 0.935E+00 0.129E+00 -0.444E-04 +GLU 630 C 399 GLY 572 N 267 0.102E+01 -0.132E+00 -0.961E-03 +GLU 630 C 399 GLY 572 CA 268 0.102E+01 -0.450E-01 -0.842E-03 +GLU 630 O 400 HIS 564 O 185 0.991E+00 0.245E+00 -0.969E-03 +GLU 630 O 400 LEU 565 CD2 202 0.964E+00 0.592E-01 -0.127E-02 +GLU 630 O 400 LEU 568 N 225 0.967E+00 0.170E+00 -0.134E-02 +GLU 630 O 400 LEU 568 CA 226 0.853E+00 0.591E-01 -0.264E-02 +GLU 630 O 400 LEU 568 C 227 0.917E+00 -0.298E+00 -0.152E-02 +GLU 630 O 400 LEU 568 O 228 0.904E+00 0.297E+00 -0.168E-02 +GLU 630 O 400 LEU 568 CB 229 0.752E+00 0.105E+00 -0.558E-02 +GLU 630 O 400 LEU 568 CG 230 0.714E+00 -0.155E+00 -0.763E-02 +GLU 630 O 400 LEU 568 CD1 231 0.642E+00 0.122E+00 -0.143E-01 +GLU 630 O 400 LEU 568 CD2 232 0.665E+00 0.114E+00 -0.116E-01 +GLU 630 O 400 THR 569 N 234 0.101E+01 0.109E+00 -0.101E-02 +GLU 630 O 400 TRP 571 CB 255 0.964E+00 0.472E-01 -0.127E-02 +GLU 630 O 400 TRP 571 CG 256 0.921E+00 0.517E-01 -0.147E-02 +GLU 630 O 400 TRP 571 CD1 257 0.982E+00 0.815E-01 -0.101E-02 +GLU 630 O 400 TRP 571 CD2 258 0.852E+00 -0.528E-01 -0.235E-02 +GLU 630 O 400 TRP 571 NE1 259 0.955E+00 0.146E+00 -0.144E-02 +GLU 630 O 400 TRP 571 CE2 260 0.879E+00 -0.790E-01 -0.195E-02 +GLU 630 O 400 TRP 571 CE3 261 0.797E+00 0.101E+00 -0.350E-02 +GLU 630 O 400 TRP 571 CZ2 262 0.855E+00 0.123E+00 -0.230E-02 +GLU 630 O 400 TRP 571 CZ3 263 0.772E+00 0.114E+00 -0.423E-02 +GLU 630 O 400 TRP 571 CH2 264 0.803E+00 0.864E-01 -0.336E-02 +GLU 630 O 400 TRP 571 HE1 266 0.100E+01 -0.147E+00 -0.249E-04 +GLU 630 CB 401 LEU 568 CA 226 0.102E+01 -0.564E-02 -0.960E-03 +GLU 630 CB 401 LEU 568 O 228 0.104E+01 -0.304E-01 -0.804E-03 +GLU 630 CB 401 LEU 568 CB 229 0.959E+00 -0.885E-02 -0.141E-02 +GLU 630 CB 401 LEU 568 CG 230 0.925E+00 0.125E-01 -0.175E-02 +GLU 630 CB 401 LEU 568 CD1 231 0.891E+00 -0.847E-02 -0.218E-02 +GLU 630 CB 401 LEU 568 CD2 232 0.833E+00 -0.947E-02 -0.326E-02 +GLU 630 CB 401 TRP 571 CB 255 0.999E+00 -0.566E-02 -0.110E-02 +GLU 630 CB 401 TRP 571 CG 256 0.911E+00 -0.665E-02 -0.169E-02 +GLU 630 CB 401 TRP 571 CD1 257 0.934E+00 -0.111E-01 -0.146E-02 +GLU 630 CB 401 TRP 571 CD2 258 0.831E+00 0.696E-02 -0.294E-02 +GLU 630 CB 401 TRP 571 NE1 259 0.871E+00 -0.213E-01 -0.273E-02 +GLU 630 CB 401 TRP 571 CE2 260 0.805E+00 0.116E-01 -0.354E-02 +GLU 630 CB 401 TRP 571 CE3 261 0.803E+00 -0.126E-01 -0.361E-02 +GLU 630 CB 401 TRP 571 CZ2 262 0.750E+00 -0.196E-01 -0.543E-02 +GLU 630 CB 401 TRP 571 CZ3 263 0.748E+00 -0.153E-01 -0.549E-02 +GLU 630 CB 401 TRP 571 CH2 264 0.720E+00 -0.133E-01 -0.690E-02 +GLU 630 CB 401 TRP 571 HE1 266 0.886E+00 0.224E-01 -0.693E-04 +GLU 630 CG 402 LEU 568 CA 226 0.978E+00 0.273E-02 -0.125E-02 +GLU 630 CG 402 LEU 568 O 228 0.103E+01 0.140E-01 -0.858E-03 +GLU 630 CG 402 LEU 568 CB 229 0.911E+00 0.434E-02 -0.191E-02 +GLU 630 CG 402 LEU 568 CG 230 0.855E+00 -0.642E-02 -0.279E-02 +GLU 630 CG 402 LEU 568 CD1 231 0.821E+00 0.440E-02 -0.356E-02 +GLU 630 CG 402 LEU 568 CD2 232 0.755E+00 0.511E-02 -0.586E-02 +GLU 630 CG 402 TRP 571 CB 255 0.984E+00 0.262E-02 -0.121E-02 +GLU 630 CG 402 TRP 571 CG 256 0.909E+00 0.303E-02 -0.172E-02 +GLU 630 CG 402 TRP 571 CD1 257 0.926E+00 0.511E-02 -0.154E-02 +GLU 630 CG 402 TRP 571 CD2 258 0.849E+00 -0.304E-02 -0.258E-02 +GLU 630 CG 402 TRP 571 NE1 259 0.878E+00 0.954E-02 -0.261E-02 +GLU 630 CG 402 TRP 571 CE2 260 0.830E+00 -0.499E-02 -0.296E-02 +GLU 630 CG 402 TRP 571 CE3 261 0.838E+00 0.533E-02 -0.280E-02 +GLU 630 CG 402 TRP 571 CZ2 262 0.798E+00 0.795E-02 -0.376E-02 +GLU 630 CG 402 TRP 571 CZ3 263 0.807E+00 0.605E-02 -0.349E-02 +GLU 630 CG 402 TRP 571 CH2 264 0.787E+00 0.513E-02 -0.408E-02 +GLU 630 CG 402 TRP 571 HE1 266 0.892E+00 -0.100E-01 -0.664E-04 +GLU 630 CD 403 LEU 568 CB 229 0.970E+00 -0.887E-01 -0.117E-02 +GLU 630 CD 403 LEU 568 CG 230 0.896E+00 0.134E+00 -0.187E-02 +GLU 630 CD 403 LEU 568 CD1 231 0.842E+00 -0.949E-01 -0.272E-02 +GLU 630 CD 403 LEU 568 CD2 232 0.806E+00 -0.102E+00 -0.353E-02 +GLU 630 CD 403 TRP 571 CG 256 0.104E+01 -0.556E-01 -0.682E-03 +GLU 630 CD 403 TRP 571 CD2 258 0.988E+00 0.539E-01 -0.928E-03 +GLU 630 CD 403 TRP 571 NE1 259 0.102E+01 -0.171E+00 -0.947E-03 +GLU 630 CD 403 TRP 571 CE2 260 0.975E+00 0.867E-01 -0.100E-02 +GLU 630 CD 403 TRP 571 CE3 261 0.974E+00 -0.942E-01 -0.101E-02 +GLU 630 CD 403 TRP 571 CZ2 262 0.948E+00 -0.134E+00 -0.118E-02 +GLU 630 CD 403 TRP 571 CZ3 263 0.949E+00 -0.104E+00 -0.118E-02 +GLU 630 CD 403 TRP 571 CH2 264 0.935E+00 -0.865E-01 -0.128E-02 +GLU 630 CD 403 TRP 571 HE1 266 0.103E+01 0.180E+00 -0.243E-04 +GLU 630 OE1 404 LEU 568 CB 229 0.104E+01 0.858E-01 -0.789E-03 +GLU 630 OE1 404 LEU 568 CG 230 0.974E+00 -0.127E+00 -0.119E-02 +GLU 630 OE1 404 LEU 568 CD1 231 0.906E+00 0.907E-01 -0.184E-02 +GLU 630 OE1 404 LEU 568 CD2 232 0.896E+00 0.922E-01 -0.196E-02 +GLU 630 OE1 404 TRP 571 CE3 261 0.105E+01 0.911E-01 -0.679E-03 +GLU 630 OE1 404 TRP 571 CZ2 262 0.103E+01 0.129E+00 -0.770E-03 +GLU 630 OE1 404 TRP 571 CZ3 263 0.101E+01 0.102E+00 -0.836E-03 +GLU 630 OE1 404 TRP 571 CH2 264 0.100E+01 0.841E-01 -0.895E-03 +GLU 630 OE2 405 LEU 568 CA 226 0.104E+01 0.603E-01 -0.793E-03 +GLU 630 OE2 405 LEU 568 CB 229 0.961E+00 0.968E-01 -0.129E-02 +GLU 630 OE2 405 LEU 568 CG 230 0.871E+00 -0.151E+00 -0.232E-02 +GLU 630 OE2 405 LEU 568 CD1 231 0.819E+00 0.107E+00 -0.336E-02 +GLU 630 OE2 405 LEU 568 CD2 232 0.776E+00 0.118E+00 -0.464E-02 +GLU 630 OE2 405 TRP 571 CD2 258 0.102E+01 -0.554E-01 -0.799E-03 +GLU 630 OE2 405 TRP 571 NE1 259 0.104E+01 0.178E+00 -0.864E-03 +GLU 630 OE2 405 TRP 571 CE2 260 0.101E+01 -0.886E-01 -0.846E-03 +GLU 630 OE2 405 TRP 571 CE3 261 0.102E+01 0.949E-01 -0.806E-03 +GLU 630 OE2 405 TRP 571 CZ2 262 0.999E+00 0.134E+00 -0.909E-03 +GLU 630 OE2 405 TRP 571 CZ3 263 0.101E+01 0.103E+00 -0.855E-03 +GLU 630 OE2 405 TRP 571 CH2 264 0.998E+00 0.845E-01 -0.911E-03 +TRP 631 N 407 HIS 564 O 185 0.103E+01 0.166E+00 -0.912E-03 +TRP 631 N 407 LEU 565 CD2 202 0.103E+01 0.387E-01 -0.991E-03 +TRP 631 N 407 GLN 567 C 215 0.102E+01 -0.133E+00 -0.927E-03 +TRP 631 N 407 GLN 567 O 216 0.101E+01 0.183E+00 -0.104E-02 +TRP 631 N 407 LEU 568 N 225 0.941E+00 0.128E+00 -0.188E-02 +TRP 631 N 407 LEU 568 CA 226 0.809E+00 0.467E-01 -0.424E-02 +TRP 631 N 407 LEU 568 C 227 0.843E+00 -0.247E+00 -0.294E-02 +TRP 631 N 407 LEU 568 O 228 0.802E+00 0.262E+00 -0.412E-02 +TRP 631 N 407 LEU 568 CB 229 0.736E+00 0.790E-01 -0.745E-02 +TRP 631 N 407 LEU 568 CG 230 0.739E+00 -0.105E+00 -0.730E-02 +TRP 631 N 407 LEU 568 CD1 231 0.702E+00 0.739E-01 -0.990E-02 +TRP 631 N 407 LEU 568 CD2 232 0.684E+00 0.777E-01 -0.116E-01 +TRP 631 N 407 THR 569 N 234 0.947E+00 0.875E-01 -0.180E-02 +TRP 631 N 407 THR 569 CA 235 0.102E+01 0.870E-01 -0.108E-02 +TRP 631 N 407 TRP 571 N 251 0.103E+01 0.135E+00 -0.109E-02 +TRP 631 N 407 TRP 571 CA 252 0.961E+00 0.698E-02 -0.151E-02 +TRP 631 N 407 TRP 571 C 253 0.933E+00 -0.214E+00 -0.161E-02 +TRP 631 N 407 TRP 571 O 254 0.973E+00 0.170E+00 -0.130E-02 +TRP 631 N 407 TRP 571 CB 255 0.841E+00 0.424E-01 -0.338E-02 +TRP 631 N 407 TRP 571 CG 256 0.778E+00 0.495E-01 -0.475E-02 +TRP 631 N 407 TRP 571 CD1 257 0.845E+00 0.747E-01 -0.291E-02 +TRP 631 N 407 TRP 571 CD2 258 0.686E+00 -0.565E-01 -0.101E-01 +TRP 631 N 407 TRP 571 NE1 259 0.803E+00 0.140E+00 -0.484E-02 +TRP 631 N 407 TRP 571 CE2 260 0.708E+00 -0.838E-01 -0.832E-02 +TRP 631 N 407 TRP 571 CE3 261 0.616E+00 0.120E+00 -0.190E-01 +TRP 631 N 407 TRP 571 CZ2 262 0.666E+00 0.140E+00 -0.119E-01 +TRP 631 N 407 TRP 571 CZ3 263 0.568E+00 0.153E+00 -0.303E-01 +TRP 631 N 407 TRP 571 CH2 264 0.596E+00 0.112E+00 -0.230E-01 +TRP 631 N 407 TRP 571 HE1 266 0.851E+00 -0.137E+00 -0.898E-04 +TRP 631 N 407 GLY 572 N 267 0.898E+00 0.145E+00 -0.248E-02 +TRP 631 N 407 GLY 572 CA 268 0.898E+00 0.501E-01 -0.227E-02 +TRP 631 N 407 GLY 572 C 269 0.104E+01 -0.180E+00 -0.833E-03 +TRP 631 N 407 GLN 575 CB 298 0.103E+01 0.100E-01 -0.982E-03 +TRP 631 N 407 GLN 575 CG 299 0.939E+00 0.723E-02 -0.174E-02 +TRP 631 N 407 GLN 575 CD 300 0.991E+00 -0.223E+00 -0.112E-02 +TRP 631 N 407 GLN 575 OE1 301 0.102E+01 0.202E+00 -0.100E-02 +TRP 631 N 407 GLN 575 NE2 302 0.103E+01 0.278E+00 -0.108E-02 +TRP 631 CA 408 HIS 564 C 184 0.999E+00 -0.102E-01 -0.976E-03 +TRP 631 CA 408 HIS 564 O 185 0.917E+00 0.929E-02 -0.171E-02 +TRP 631 CA 408 LEU 565 N 195 0.103E+01 0.522E-02 -0.996E-03 +TRP 631 CA 408 LEU 565 CA 196 0.978E+00 0.161E-02 -0.125E-02 +TRP 631 CA 408 LEU 565 C 197 0.101E+01 -0.872E-02 -0.932E-03 +TRP 631 CA 408 LEU 565 O 198 0.933E+00 0.954E-02 -0.154E-02 +TRP 631 CA 408 LEU 565 CD2 202 0.909E+00 0.219E-02 -0.194E-02 +TRP 631 CA 408 GLN 567 CA 214 0.104E+01 -0.537E-03 -0.863E-03 +TRP 631 CA 408 GLN 567 C 215 0.905E+00 -0.751E-02 -0.177E-02 +TRP 631 CA 408 GLN 567 O 216 0.897E+00 0.103E-01 -0.195E-02 +TRP 631 CA 408 LEU 568 N 225 0.817E+00 0.755E-02 -0.401E-02 +TRP 631 CA 408 LEU 568 CA 226 0.683E+00 0.299E-02 -0.107E-01 +TRP 631 CA 408 LEU 568 C 227 0.711E+00 -0.157E-01 -0.747E-02 +TRP 631 CA 408 LEU 568 O 228 0.675E+00 0.169E-01 -0.106E-01 +TRP 631 CA 408 LEU 568 CB 229 0.606E+00 0.545E-02 -0.215E-01 +TRP 631 CA 408 LEU 568 CG 230 0.623E+00 -0.684E-02 -0.182E-01 +TRP 631 CA 408 LEU 568 CD1 231 0.590E+00 0.493E-02 -0.251E-01 +TRP 631 CA 408 LEU 568 CD2 232 0.586E+00 0.500E-02 -0.262E-01 +TRP 631 CA 408 THR 569 N 234 0.810E+00 0.529E-02 -0.422E-02 +TRP 631 CA 408 THR 569 CA 235 0.879E+00 0.509E-02 -0.237E-02 +TRP 631 CA 408 THR 569 C 236 0.951E+00 -0.928E-02 -0.131E-02 +TRP 631 CA 408 THR 569 O 237 0.967E+00 0.892E-02 -0.124E-02 +TRP 631 CA 408 THR 569 CB 238 0.998E+00 -0.367E-02 -0.111E-02 +TRP 631 CA 408 THR 569 CG2 240 0.967E+00 0.284E-02 -0.134E-02 +TRP 631 CA 408 VAL 570 N 243 0.101E+01 0.682E-02 -0.112E-02 +TRP 631 CA 408 VAL 570 C 245 0.103E+01 -0.655E-02 -0.799E-03 +TRP 631 CA 408 TRP 571 N 251 0.924E+00 0.742E-02 -0.192E-02 +TRP 631 CA 408 TRP 571 CA 252 0.869E+00 0.383E-03 -0.254E-02 +TRP 631 CA 408 TRP 571 C 253 0.841E+00 -0.118E-01 -0.274E-02 +TRP 631 CA 408 TRP 571 O 254 0.894E+00 0.905E-02 -0.200E-02 +TRP 631 CA 408 TRP 571 CB 255 0.754E+00 0.240E-02 -0.591E-02 +TRP 631 CA 408 TRP 571 CG 256 0.713E+00 0.272E-02 -0.730E-02 +TRP 631 CA 408 TRP 571 CD1 257 0.797E+00 0.386E-02 -0.376E-02 +TRP 631 CA 408 TRP 571 CD2 258 0.629E+00 -0.315E-02 -0.154E-01 +TRP 631 CA 408 TRP 571 NE1 259 0.775E+00 0.695E-02 -0.549E-02 +TRP 631 CA 408 TRP 571 CE2 260 0.679E+00 -0.426E-02 -0.981E-02 +TRP 631 CA 408 TRP 571 CE3 261 0.548E+00 0.724E-02 -0.337E-01 +TRP 631 CA 408 TRP 571 CZ2 262 0.658E+00 0.672E-02 -0.117E-01 +TRP 631 CA 408 TRP 571 CZ3 263 0.524E+00 0.856E-02 -0.435E-01 +TRP 631 CA 408 TRP 571 CH2 264 0.584E+00 0.545E-02 -0.237E-01 +TRP 631 CA 408 TRP 571 HE1 266 0.837E+00 -0.656E-02 -0.974E-04 +TRP 631 CA 408 GLY 572 N 267 0.793E+00 0.837E-02 -0.478E-02 +TRP 631 CA 408 GLY 572 CA 268 0.797E+00 0.286E-02 -0.425E-02 +TRP 631 CA 408 GLY 572 C 269 0.944E+00 -0.975E-02 -0.137E-02 +TRP 631 CA 408 GLY 572 O 270 0.992E+00 0.792E-02 -0.107E-02 +TRP 631 CA 408 ILE 573 N 272 0.103E+01 0.663E-02 -0.996E-03 +TRP 631 CA 408 GLN 575 CB 298 0.988E+00 0.501E-03 -0.118E-02 +TRP 631 CA 408 GLN 575 CG 299 0.902E+00 0.360E-03 -0.203E-02 +TRP 631 CA 408 GLN 575 CD 300 0.973E+00 -0.107E-01 -0.114E-02 +TRP 631 CA 408 GLN 575 OE1 301 0.101E+01 0.951E-02 -0.954E-03 +TRP 631 CA 408 GLN 575 NE2 302 0.101E+01 0.133E-01 -0.110E-02 +TRP 631 C 409 HIS 564 C 184 0.100E+01 0.297E+00 -0.861E-03 +TRP 631 C 409 HIS 564 O 185 0.931E+00 -0.265E+00 -0.139E-02 +TRP 631 C 409 LEU 565 N 195 0.101E+01 -0.156E+00 -0.981E-03 +TRP 631 C 409 LEU 565 CA 196 0.950E+00 -0.490E-01 -0.132E-02 +TRP 631 C 409 LEU 565 C 197 0.992E+00 0.260E+00 -0.904E-03 +TRP 631 C 409 LEU 565 O 198 0.922E+00 -0.284E+00 -0.147E-02 +TRP 631 C 409 LEU 565 CB 199 0.102E+01 -0.631E-01 -0.879E-03 +TRP 631 C 409 LEU 565 CG 200 0.984E+00 0.883E-01 -0.107E-02 +TRP 631 C 409 LEU 565 CD2 202 0.836E+00 -0.734E-01 -0.284E-02 +TRP 631 C 409 GLN 567 C 215 0.959E+00 0.200E+00 -0.111E-02 +TRP 631 C 409 GLN 567 O 216 0.964E+00 -0.268E+00 -0.112E-02 +TRP 631 C 409 LEU 568 N 225 0.856E+00 -0.204E+00 -0.269E-02 +TRP 631 C 409 LEU 568 CA 226 0.725E+00 -0.777E-01 -0.662E-02 +TRP 631 C 409 LEU 568 C 227 0.747E+00 0.417E+00 -0.492E-02 +TRP 631 C 409 LEU 568 O 228 0.726E+00 -0.428E+00 -0.610E-02 +TRP 631 C 409 LEU 568 CB 229 0.626E+00 -0.149E+00 -0.158E-01 +TRP 631 C 409 LEU 568 CG 230 0.646E+00 0.186E+00 -0.132E-01 +TRP 631 C 409 LEU 568 CD1 231 0.583E+00 -0.148E+00 -0.239E-01 +TRP 631 C 409 LEU 568 CD2 232 0.641E+00 -0.121E+00 -0.138E-01 +TRP 631 C 409 THR 569 N 234 0.828E+00 -0.149E+00 -0.329E-02 +TRP 631 C 409 THR 569 CA 235 0.892E+00 -0.145E+00 -0.193E-02 +TRP 631 C 409 THR 569 C 236 0.984E+00 0.258E+00 -0.951E-03 +TRP 631 C 409 THR 569 O 237 0.100E+01 -0.247E+00 -0.886E-03 +TRP 631 C 409 THR 569 CB 238 0.993E+00 0.108E+00 -0.101E-02 +TRP 631 C 409 THR 569 CG2 240 0.940E+00 -0.868E-01 -0.141E-02 +TRP 631 C 409 TRP 571 N 251 0.100E+01 -0.191E+00 -0.103E-02 +TRP 631 C 409 TRP 571 CA 252 0.965E+00 -0.947E-02 -0.120E-02 +TRP 631 C 409 TRP 571 C 253 0.931E+00 0.292E+00 -0.133E-02 +TRP 631 C 409 TRP 571 O 254 0.991E+00 -0.225E+00 -0.953E-03 +TRP 631 C 409 TRP 571 CB 255 0.860E+00 -0.557E-01 -0.240E-02 +TRP 631 C 409 TRP 571 CG 256 0.836E+00 -0.597E-01 -0.252E-02 +TRP 631 C 409 TRP 571 CD1 257 0.930E+00 -0.872E-01 -0.133E-02 +TRP 631 C 409 TRP 571 CD2 258 0.753E+00 0.646E-01 -0.470E-02 +TRP 631 C 409 TRP 571 NE1 259 0.915E+00 -0.153E+00 -0.181E-02 +TRP 631 C 409 TRP 571 CE2 260 0.815E+00 0.884E-01 -0.293E-02 +TRP 631 C 409 TRP 571 CE3 261 0.660E+00 -0.142E+00 -0.103E-01 +TRP 631 C 409 TRP 571 CZ2 262 0.795E+00 -0.137E+00 -0.339E-02 +TRP 631 C 409 TRP 571 CZ3 263 0.636E+00 -0.164E+00 -0.127E-01 +TRP 631 C 409 TRP 571 CH2 264 0.709E+00 -0.107E+00 -0.670E-02 +TRP 631 C 409 TRP 571 HE1 266 0.981E+00 0.149E+00 -0.332E-04 +TRP 631 C 409 GLY 572 N 267 0.865E+00 -0.211E+00 -0.253E-02 +TRP 631 C 409 GLY 572 CA 268 0.858E+00 -0.737E-01 -0.243E-02 +TRP 631 C 409 GLY 572 C 269 0.100E+01 0.260E+00 -0.848E-03 +TRP 631 C 409 GLN 575 CG 299 0.101E+01 -0.880E-02 -0.893E-03 +TRP 631 O 410 HIS 564 CA 183 0.102E+01 -0.115E-01 -0.921E-03 +TRP 631 O 410 HIS 564 C 184 0.907E+00 -0.293E+00 -0.162E-02 +TRP 631 O 410 HIS 564 O 185 0.846E+00 0.262E+00 -0.249E-02 +TRP 631 O 410 HIS 564 CB 186 0.986E+00 0.591E-01 -0.111E-02 +TRP 631 O 410 LEU 565 N 195 0.911E+00 0.156E+00 -0.192E-02 +TRP 631 O 410 LEU 565 CA 196 0.848E+00 0.498E-01 -0.273E-02 +TRP 631 O 410 LEU 565 C 197 0.901E+00 -0.256E+00 -0.168E-02 +TRP 631 O 410 LEU 565 O 198 0.839E+00 0.280E+00 -0.262E-02 +TRP 631 O 410 LEU 565 CB 199 0.909E+00 0.634E-01 -0.180E-02 +TRP 631 O 410 LEU 565 CG 200 0.869E+00 -0.909E-01 -0.235E-02 +TRP 631 O 410 LEU 565 CD1 201 0.942E+00 0.512E-01 -0.145E-02 +TRP 631 O 410 LEU 565 CD2 202 0.720E+00 0.813E-01 -0.723E-02 +TRP 631 O 410 LEU 566 N 204 0.103E+01 0.129E+00 -0.911E-03 +TRP 631 O 410 GLN 567 N 213 0.105E+01 0.138E+00 -0.829E-03 +TRP 631 O 410 GLN 567 CA 214 0.103E+01 -0.134E-01 -0.832E-03 +TRP 631 O 410 GLN 567 C 215 0.911E+00 -0.184E+00 -0.157E-02 +TRP 631 O 410 GLN 567 O 216 0.931E+00 0.240E+00 -0.141E-02 +TRP 631 O 410 LEU 568 N 225 0.799E+00 0.194E+00 -0.423E-02 +TRP 631 O 410 LEU 568 CA 226 0.677E+00 0.753E-01 -0.105E-01 +TRP 631 O 410 LEU 568 C 227 0.708E+00 -0.391E+00 -0.711E-02 +TRP 631 O 410 LEU 568 O 228 0.707E+00 0.382E+00 -0.730E-02 +TRP 631 O 410 LEU 568 CB 229 0.560E+00 0.160E+00 -0.318E-01 +TRP 631 O 410 LEU 568 CG 230 0.572E+00 -0.204E+00 -0.283E-01 +TRP 631 O 410 LEU 568 CD1 231 0.491E+00 0.185E+00 -0.675E-01 +TRP 631 O 410 LEU 568 CD2 232 0.588E+00 0.123E+00 -0.240E-01 +TRP 631 O 410 THR 569 N 234 0.778E+00 0.140E+00 -0.493E-02 +TRP 631 O 410 THR 569 CA 235 0.851E+00 0.133E+00 -0.267E-02 +TRP 631 O 410 THR 569 C 236 0.956E+00 -0.228E+00 -0.118E-02 +TRP 631 O 410 THR 569 O 237 0.988E+00 0.214E+00 -0.986E-03 +TRP 631 O 410 THR 569 CB 238 0.940E+00 -0.994E-01 -0.147E-02 +TRP 631 O 410 THR 569 OG1 239 0.103E+01 0.219E+00 -0.855E-03 +TRP 631 O 410 THR 569 CG2 240 0.875E+00 0.824E-01 -0.226E-02 +TRP 631 O 410 THR 569 HG1 242 0.993E+00 -0.156E+00 0.000E+00 +TRP 631 O 410 VAL 570 N 243 0.102E+01 0.166E+00 -0.956E-03 +TRP 631 O 410 TRP 571 N 251 0.100E+01 0.163E+00 -0.110E-02 +TRP 631 O 410 TRP 571 CA 252 0.977E+00 0.788E-02 -0.117E-02 +TRP 631 O 410 TRP 571 C 253 0.953E+00 -0.239E+00 -0.120E-02 +TRP 631 O 410 TRP 571 O 254 0.103E+01 0.181E+00 -0.786E-03 +TRP 631 O 410 TRP 571 CB 255 0.873E+00 0.461E-01 -0.229E-02 +TRP 631 O 410 TRP 571 CG 256 0.869E+00 0.474E-01 -0.209E-02 +TRP 631 O 410 TRP 571 CD1 257 0.968E+00 0.695E-01 -0.109E-02 +TRP 631 O 410 TRP 571 CD2 258 0.802E+00 -0.489E-01 -0.339E-02 +TRP 631 O 410 TRP 571 NE1 259 0.968E+00 0.119E+00 -0.133E-02 +TRP 631 O 410 TRP 571 CE2 260 0.876E+00 -0.664E-01 -0.199E-02 +TRP 631 O 410 TRP 571 CE3 261 0.714E+00 0.103E+00 -0.677E-02 +TRP 631 O 410 TRP 571 CZ2 262 0.873E+00 0.992E-01 -0.204E-02 +TRP 631 O 410 TRP 571 CZ3 263 0.710E+00 0.111E+00 -0.697E-02 +TRP 631 O 410 TRP 571 CH2 264 0.794E+00 0.735E-01 -0.359E-02 +TRP 631 O 410 TRP 571 HE1 266 0.104E+01 -0.116E+00 -0.198E-04 +TRP 631 O 410 GLY 572 N 267 0.881E+00 0.173E+00 -0.234E-02 +TRP 631 O 410 GLY 572 CA 268 0.884E+00 0.594E-01 -0.212E-02 +TRP 631 O 410 GLY 572 C 269 0.103E+01 -0.212E+00 -0.754E-03 +TRP 631 CB 411 HIS 564 C 184 0.104E+01 -0.471E-01 -0.763E-03 +TRP 631 CB 411 HIS 564 O 185 0.948E+00 0.432E-01 -0.140E-02 +TRP 631 CB 411 LEU 565 CA 196 0.101E+01 0.750E-02 -0.103E-02 +TRP 631 CB 411 LEU 565 C 197 0.102E+01 -0.421E-01 -0.880E-03 +TRP 631 CB 411 LEU 565 O 198 0.928E+00 0.471E-01 -0.159E-02 +TRP 631 CB 411 LEU 565 CD2 202 0.965E+00 0.978E-02 -0.136E-02 +TRP 631 CB 411 GLN 567 CA 214 0.102E+01 -0.270E-02 -0.966E-03 +TRP 631 CB 411 GLN 567 C 215 0.877E+00 -0.387E-01 -0.213E-02 +TRP 631 CB 411 GLN 567 O 216 0.850E+00 0.550E-01 -0.269E-02 +TRP 631 CB 411 LEU 568 N 225 0.800E+00 0.383E-01 -0.453E-02 +TRP 631 CB 411 LEU 568 CA 226 0.659E+00 0.157E-01 -0.132E-01 +TRP 631 CB 411 LEU 568 C 227 0.659E+00 -0.892E-01 -0.117E-01 +TRP 631 CB 411 LEU 568 O 228 0.600E+00 0.106E+00 -0.214E-01 +TRP 631 CB 411 LEU 568 CB 229 0.610E+00 0.263E-01 -0.206E-01 +TRP 631 CB 411 LEU 568 CG 230 0.659E+00 -0.299E-01 -0.131E-01 +TRP 631 CB 411 LEU 568 CD1 231 0.655E+00 0.194E-01 -0.136E-01 +TRP 631 CB 411 LEU 568 CD2 232 0.621E+00 0.216E-01 -0.185E-01 +TRP 631 CB 411 THR 569 N 234 0.760E+00 0.290E-01 -0.618E-02 +TRP 631 CB 411 THR 569 CA 235 0.810E+00 0.286E-01 -0.386E-02 +TRP 631 CB 411 THR 569 C 236 0.867E+00 -0.527E-01 -0.228E-02 +TRP 631 CB 411 THR 569 O 237 0.867E+00 0.520E-01 -0.239E-02 +TRP 631 CB 411 THR 569 CB 238 0.939E+00 -0.197E-01 -0.160E-02 +TRP 631 CB 411 THR 569 OG1 239 0.103E+01 0.432E-01 -0.918E-03 +TRP 631 CB 411 THR 569 CG2 240 0.925E+00 0.149E-01 -0.175E-02 +TRP 631 CB 411 THR 569 HG1 242 0.101E+01 -0.300E-01 0.000E+00 +TRP 631 CB 411 VAL 570 N 243 0.933E+00 0.377E-01 -0.181E-02 +TRP 631 CB 411 VAL 570 CA 244 0.101E+01 0.385E-02 -0.102E-02 +TRP 631 CB 411 VAL 570 C 245 0.935E+00 -0.373E-01 -0.145E-02 +TRP 631 CB 411 VAL 570 O 246 0.985E+00 0.312E-01 -0.111E-02 +TRP 631 CB 411 TRP 571 N 251 0.832E+00 0.431E-01 -0.358E-02 +TRP 631 CB 411 TRP 571 CA 252 0.768E+00 0.232E-02 -0.531E-02 +TRP 631 CB 411 TRP 571 C 253 0.721E+00 -0.763E-01 -0.686E-02 +TRP 631 CB 411 TRP 571 O 254 0.764E+00 0.580E-01 -0.509E-02 +TRP 631 CB 411 TRP 571 CB 255 0.667E+00 0.149E-01 -0.123E-01 +TRP 631 CB 411 TRP 571 CG 256 0.616E+00 0.179E-01 -0.172E-01 +TRP 631 CB 411 TRP 571 CD1 257 0.709E+00 0.234E-01 -0.756E-02 +TRP 631 CB 411 TRP 571 CD2 258 0.516E+00 -0.239E-01 -0.475E-01 +TRP 631 CB 411 TRP 571 NE1 259 0.682E+00 0.434E-01 -0.118E-01 +TRP 631 CB 411 TRP 571 CE2 260 0.571E+00 -0.299E-01 -0.267E-01 +TRP 631 CB 411 TRP 571 CE3 261 0.417E+00 0.687E-01 -0.130E+00 +TRP 631 CB 411 TRP 571 CZ2 262 0.545E+00 0.493E-01 -0.349E-01 +TRP 631 CB 411 TRP 571 CZ3 263 0.382E+00 0.924E-01 -0.157E+00 +TRP 631 CB 411 TRP 571 CH2 264 0.455E+00 0.477E-01 -0.906E-01 +TRP 631 CB 411 TRP 571 HE1 266 0.749E+00 -0.391E-01 -0.189E-03 +TRP 631 CB 411 GLY 572 N 267 0.672E+00 0.560E-01 -0.128E-01 +TRP 631 CB 411 GLY 572 CA 268 0.663E+00 0.198E-01 -0.127E-01 +TRP 631 CB 411 GLY 572 C 269 0.806E+00 -0.619E-01 -0.353E-02 +TRP 631 CB 411 GLY 572 O 270 0.846E+00 0.499E-01 -0.276E-02 +TRP 631 CB 411 ILE 573 N 272 0.901E+00 0.399E-01 -0.223E-02 +TRP 631 CB 411 ILE 573 CA 273 0.104E+01 0.724E-02 -0.855E-03 +TRP 631 CB 411 GLN 575 N 294 0.997E+00 0.293E-01 -0.122E-02 +TRP 631 CB 411 GLN 575 CA 295 0.978E+00 -0.288E-02 -0.125E-02 +TRP 631 CB 411 GLN 575 CB 298 0.840E+00 0.318E-02 -0.311E-02 +TRP 631 CB 411 GLN 575 CG 299 0.761E+00 0.236E-02 -0.560E-02 +TRP 631 CB 411 GLN 575 CD 300 0.840E+00 -0.664E-01 -0.277E-02 +TRP 631 CB 411 GLN 575 OE1 301 0.877E+00 0.580E-01 -0.222E-02 +TRP 631 CB 411 GLN 575 NE2 302 0.891E+00 0.796E-01 -0.239E-02 +TRP 631 CB 411 LEU 576 N 306 0.105E+01 0.250E-01 -0.897E-03 +TRP 631 CB 411 LEU 576 CG 311 0.101E+01 -0.143E-01 -0.105E-02 +TRP 631 CB 411 LEU 576 CD1 312 0.104E+01 0.877E-02 -0.874E-03 +TRP 631 CB 411 LEU 576 CD2 313 0.101E+01 0.919E-02 -0.106E-02 +TRP 631 CG 412 HIS 564 C 184 0.960E+00 -0.541E-01 -0.110E-02 +TRP 631 CG 412 HIS 564 O 185 0.866E+00 0.509E-01 -0.213E-02 +TRP 631 CG 412 LEU 565 N 195 0.984E+00 0.280E-01 -0.117E-02 +TRP 631 CG 412 LEU 565 CA 196 0.906E+00 0.903E-02 -0.175E-02 +TRP 631 CG 412 LEU 565 C 197 0.900E+00 -0.518E-01 -0.162E-02 +TRP 631 CG 412 LEU 565 O 198 0.803E+00 0.611E-01 -0.335E-02 +TRP 631 CG 412 LEU 565 CB 199 0.991E+00 0.112E-01 -0.102E-02 +TRP 631 CG 412 LEU 565 CG 200 0.999E+00 -0.148E-01 -0.975E-03 +TRP 631 CG 412 LEU 565 CD2 202 0.871E+00 0.117E-01 -0.221E-02 +TRP 631 CG 412 LEU 566 N 204 0.102E+01 0.266E-01 -0.953E-03 +TRP 631 CG 412 LEU 566 C 206 0.978E+00 -0.455E-01 -0.985E-03 +TRP 631 CG 412 LEU 566 O 207 0.944E+00 0.468E-01 -0.127E-02 +TRP 631 CG 412 GLN 567 N 213 0.968E+00 0.312E-01 -0.128E-02 +TRP 631 CG 412 GLN 567 CA 214 0.925E+00 -0.320E-02 -0.155E-02 +TRP 631 CG 412 GLN 567 C 215 0.779E+00 -0.484E-01 -0.384E-02 +TRP 631 CG 412 GLN 567 O 216 0.754E+00 0.693E-01 -0.490E-02 +TRP 631 CG 412 GLN 567 CB 217 0.974E+00 0.256E-02 -0.114E-02 +TRP 631 CG 412 LEU 568 N 225 0.698E+00 0.503E-01 -0.907E-02 +TRP 631 CG 412 LEU 568 CA 226 0.554E+00 0.232E-01 -0.318E-01 +TRP 631 CG 412 LEU 568 C 227 0.532E+00 -0.144E+00 -0.354E-01 +TRP 631 CG 412 LEU 568 O 228 0.474E+00 0.185E+00 -0.722E-01 +TRP 631 CG 412 LEU 568 CB 229 0.511E+00 0.398E-01 -0.497E-01 +TRP 631 CG 412 LEU 568 CG 230 0.590E+00 -0.384E-01 -0.222E-01 +TRP 631 CG 412 LEU 568 CD1 231 0.598E+00 0.239E-01 -0.206E-01 +TRP 631 CG 412 LEU 568 CD2 232 0.579E+00 0.256E-01 -0.248E-01 +TRP 631 CG 412 THR 569 N 234 0.623E+00 0.437E-01 -0.178E-01 +TRP 631 CG 412 THR 569 CA 235 0.663E+00 0.425E-01 -0.112E-01 +TRP 631 CG 412 THR 569 C 236 0.727E+00 -0.734E-01 -0.576E-02 +TRP 631 CG 412 THR 569 O 237 0.729E+00 0.721E-01 -0.599E-02 +TRP 631 CG 412 THR 569 CB 238 0.789E+00 -0.269E-01 -0.401E-02 +TRP 631 CG 412 THR 569 OG1 239 0.890E+00 0.555E-01 -0.201E-02 +TRP 631 CG 412 THR 569 CG2 240 0.775E+00 0.205E-01 -0.446E-02 +TRP 631 CG 412 THR 569 HG1 242 0.871E+00 -0.386E-01 0.000E+00 +TRP 631 CG 412 VAL 570 N 243 0.803E+00 0.493E-01 -0.395E-02 +TRP 631 CG 412 VAL 570 CA 244 0.890E+00 0.478E-02 -0.195E-02 +TRP 631 CG 412 VAL 570 C 245 0.825E+00 -0.466E-01 -0.271E-02 +TRP 631 CG 412 VAL 570 O 246 0.880E+00 0.379E-01 -0.193E-02 +TRP 631 CG 412 VAL 570 CB 247 0.995E+00 -0.306E-01 -0.100E-02 +TRP 631 CG 412 TRP 571 N 251 0.732E+00 0.554E-01 -0.683E-02 +TRP 631 CG 412 TRP 571 CA 252 0.686E+00 0.293E-02 -0.918E-02 +TRP 631 CG 412 TRP 571 C 253 0.633E+00 -0.101E+00 -0.131E-01 +TRP 631 CG 412 TRP 571 O 254 0.692E+00 0.714E-01 -0.816E-02 +TRP 631 CG 412 TRP 571 CB 255 0.602E+00 0.188E-01 -0.198E-01 +TRP 631 CG 412 TRP 571 CG 256 0.583E+00 0.206E-01 -0.212E-01 +TRP 631 CG 412 TRP 571 CD1 257 0.696E+00 0.248E-01 -0.749E-02 +TRP 631 CG 412 TRP 571 CD2 258 0.494E+00 -0.269E-01 -0.528E-01 +TRP 631 CG 412 TRP 571 NE1 259 0.692E+00 0.430E-01 -0.955E-02 +TRP 631 CG 412 TRP 571 CE2 260 0.583E+00 -0.291E-01 -0.210E-01 +TRP 631 CG 412 TRP 571 CE3 261 0.383E+00 0.878E-01 -0.140E+00 +TRP 631 CG 412 TRP 571 CZ2 262 0.583E+00 0.433E-01 -0.210E-01 +TRP 631 CG 412 TRP 571 CZ3 263 0.383E+00 0.935E-01 -0.140E+00 +TRP 631 CG 412 TRP 571 CH2 264 0.493E+00 0.400E-01 -0.535E-01 +TRP 631 CG 412 TRP 571 HE1 266 0.773E+00 -0.377E-01 -0.139E-03 +TRP 631 CG 412 GLY 572 N 267 0.564E+00 0.828E-01 -0.317E-01 +TRP 631 CG 412 GLY 572 CA 268 0.553E+00 0.298E-01 -0.321E-01 +TRP 631 CG 412 GLY 572 C 269 0.699E+00 -0.821E-01 -0.729E-02 +TRP 631 CG 412 GLY 572 O 270 0.754E+00 0.624E-01 -0.490E-02 +TRP 631 CG 412 ILE 573 N 272 0.784E+00 0.515E-01 -0.455E-02 +TRP 631 CG 412 ILE 573 CA 273 0.927E+00 0.880E-02 -0.153E-02 +TRP 631 CG 412 ILE 573 C 274 0.994E+00 -0.441E-01 -0.892E-03 +TRP 631 CG 412 ILE 573 CB 276 0.101E+01 -0.468E-02 -0.898E-03 +TRP 631 CG 412 ILE 573 CG1 277 0.992E+00 -0.171E-02 -0.102E-02 +TRP 631 CG 412 LYS 574 N 281 0.988E+00 0.342E-01 -0.114E-02 +TRP 631 CG 412 GLN 575 N 294 0.937E+00 0.328E-01 -0.156E-02 +TRP 631 CG 412 GLN 575 CA 295 0.935E+00 -0.315E-02 -0.145E-02 +TRP 631 CG 412 GLN 575 C 296 0.101E+01 -0.317E-01 -0.808E-03 +TRP 631 CG 412 GLN 575 CB 298 0.805E+00 0.349E-02 -0.356E-02 +TRP 631 CG 412 GLN 575 CG 299 0.742E+00 0.253E-02 -0.578E-02 +TRP 631 CG 412 GLN 575 CD 300 0.843E+00 -0.672E-01 -0.239E-02 +TRP 631 CG 412 GLN 575 OE1 301 0.895E+00 0.573E-01 -0.175E-02 +TRP 631 CG 412 GLN 575 NE2 302 0.896E+00 0.804E-01 -0.204E-02 +TRP 631 CG 412 LEU 576 N 306 0.986E+00 0.279E-01 -0.115E-02 +TRP 631 CG 412 LEU 576 CG 311 0.928E+00 -0.165E-01 -0.152E-02 +TRP 631 CG 412 LEU 576 CD1 312 0.945E+00 0.103E-01 -0.136E-02 +TRP 631 CG 412 LEU 576 CD2 313 0.946E+00 0.103E-01 -0.135E-02 +TRP 631 CD1 413 HIS 564 CA 183 0.981E+00 -0.427E-02 -0.109E-02 +TRP 631 CD1 413 HIS 564 C 184 0.860E+00 -0.112E+00 -0.212E-02 +TRP 631 CD1 413 HIS 564 O 185 0.759E+00 0.111E+00 -0.468E-02 +TRP 631 CD1 413 HIS 564 CB 186 0.101E+01 0.201E-01 -0.931E-03 +TRP 631 CD1 413 LEU 565 N 195 0.893E+00 0.565E-01 -0.208E-02 +TRP 631 CD1 413 LEU 565 CA 196 0.821E+00 0.185E-01 -0.317E-02 +TRP 631 CD1 413 LEU 565 C 197 0.802E+00 -0.109E+00 -0.323E-02 +TRP 631 CD1 413 LEU 565 O 198 0.703E+00 0.136E+00 -0.742E-02 +TRP 631 CD1 413 LEU 565 CB 199 0.919E+00 0.219E-01 -0.161E-02 +TRP 631 CD1 413 LEU 565 CG 200 0.945E+00 -0.280E-01 -0.136E-02 +TRP 631 CD1 413 LEU 565 CD1 201 0.102E+01 0.161E-01 -0.879E-03 +TRP 631 CD1 413 LEU 565 CD2 202 0.829E+00 0.222E-01 -0.298E-02 +TRP 631 CD1 413 LEU 566 N 204 0.913E+00 0.546E-01 -0.183E-02 +TRP 631 CD1 413 LEU 566 CA 205 0.938E+00 0.149E-01 -0.142E-02 +TRP 631 CD1 413 LEU 566 C 206 0.856E+00 -0.979E-01 -0.219E-02 +TRP 631 CD1 413 LEU 566 O 207 0.821E+00 0.102E+00 -0.295E-02 +TRP 631 CD1 413 GLN 567 N 213 0.842E+00 0.679E-01 -0.296E-02 +TRP 631 CD1 413 GLN 567 CA 214 0.793E+00 -0.721E-02 -0.390E-02 +TRP 631 CD1 413 GLN 567 C 215 0.645E+00 -0.121E+00 -0.117E-01 +TRP 631 CD1 413 GLN 567 O 216 0.617E+00 0.179E+00 -0.160E-01 +TRP 631 CD1 413 GLN 567 CB 217 0.844E+00 0.560E-02 -0.268E-02 +TRP 631 CD1 413 GLN 567 CG 218 0.997E+00 0.269E-02 -0.988E-03 +TRP 631 CD1 413 GLN 567 OE1 220 0.102E+01 0.812E-01 -0.782E-03 +TRP 631 CD1 413 LEU 568 N 225 0.571E+00 0.133E+00 -0.295E-01 +TRP 631 CD1 413 LEU 568 CA 226 0.427E+00 0.756E-01 -0.120E+00 +TRP 631 CD1 413 LEU 568 C 227 0.408E+00 -0.482E+00 -0.125E+00 +TRP 631 CD1 413 LEU 568 O 228 0.349E+00 0.711E+00 -0.213E+00 +TRP 631 CD1 413 LEU 568 CB 229 0.404E+00 0.124E+00 -0.144E+00 +TRP 631 CD1 413 LEU 568 CG 230 0.494E+00 -0.100E+00 -0.598E-01 +TRP 631 CD1 413 LEU 568 CD1 231 0.531E+00 0.542E-01 -0.405E-01 +TRP 631 CD1 413 LEU 568 CD2 232 0.479E+00 0.689E-01 -0.699E-01 +TRP 631 CD1 413 THR 569 N 234 0.510E+00 0.118E+00 -0.556E-01 +TRP 631 CD1 413 THR 569 CA 235 0.564E+00 0.104E+00 -0.288E-01 +TRP 631 CD1 413 THR 569 C 236 0.620E+00 -0.175E+00 -0.148E-01 +TRP 631 CD1 413 THR 569 O 237 0.633E+00 0.166E+00 -0.138E-01 +TRP 631 CD1 413 THR 569 CB 238 0.699E+00 -0.586E-01 -0.824E-02 +TRP 631 CD1 413 THR 569 OG1 239 0.787E+00 0.119E+00 -0.416E-02 +TRP 631 CD1 413 THR 569 CG2 240 0.701E+00 0.431E-01 -0.810E-02 +TRP 631 CD1 413 THR 569 HG1 242 0.763E+00 -0.844E-01 0.000E+00 +TRP 631 CD1 413 VAL 570 N 243 0.683E+00 0.116E+00 -0.103E-01 +TRP 631 CD1 413 VAL 570 CA 244 0.770E+00 0.107E-01 -0.463E-02 +TRP 631 CD1 413 VAL 570 C 245 0.707E+00 -0.107E+00 -0.679E-02 +TRP 631 CD1 413 VAL 570 O 246 0.772E+00 0.828E-01 -0.425E-02 +TRP 631 CD1 413 VAL 570 CB 247 0.867E+00 -0.660E-01 -0.228E-02 +TRP 631 CD1 413 VAL 570 CG1 248 0.970E+00 0.126E-01 -0.117E-02 +TRP 631 CD1 413 VAL 570 CG2 249 0.957E+00 0.129E-01 -0.127E-02 +TRP 631 CD1 413 TRP 571 N 251 0.608E+00 0.140E+00 -0.204E-01 +TRP 631 CD1 413 TRP 571 CA 252 0.571E+00 0.749E-02 -0.269E-01 +TRP 631 CD1 413 TRP 571 C 253 0.536E+00 -0.252E+00 -0.339E-01 +TRP 631 CD1 413 TRP 571 O 254 0.610E+00 0.160E+00 -0.171E-01 +TRP 631 CD1 413 TRP 571 CB 255 0.483E+00 0.540E-01 -0.676E-01 +TRP 631 CD1 413 TRP 571 CG 256 0.486E+00 0.544E-01 -0.581E-01 +TRP 631 CD1 413 TRP 571 CD1 257 0.605E+00 0.573E-01 -0.170E-01 +TRP 631 CD1 413 TRP 571 CD2 258 0.423E+00 -0.690E-01 -0.110E+00 +TRP 631 CD1 413 TRP 571 NE1 259 0.624E+00 0.923E-01 -0.176E-01 +TRP 631 CD1 413 TRP 571 CE2 260 0.531E+00 -0.626E-01 -0.359E-01 +TRP 631 CD1 413 TRP 571 CE3 261 0.331E+00 0.226E+00 0.108E+00 +TRP 631 CD1 413 TRP 571 CZ2 262 0.563E+00 0.815E-01 -0.258E-01 +TRP 631 CD1 413 TRP 571 CZ3 263 0.381E+00 0.165E+00 -0.140E+00 +TRP 631 CD1 413 TRP 571 CH2 264 0.499E+00 0.678E-01 -0.505E-01 +TRP 631 CD1 413 TRP 571 HE1 266 0.712E+00 -0.765E-01 -0.228E-03 +TRP 631 CD1 413 GLY 572 N 267 0.472E+00 0.218E+00 -0.844E-01 +TRP 631 CD1 413 GLY 572 CA 268 0.492E+00 0.678E-01 -0.609E-01 +TRP 631 CD1 413 GLY 572 C 269 0.643E+00 -0.169E+00 -0.119E-01 +TRP 631 CD1 413 GLY 572 O 270 0.713E+00 0.120E+00 -0.680E-02 +TRP 631 CD1 413 ILE 573 N 272 0.713E+00 0.107E+00 -0.800E-02 +TRP 631 CD1 413 ILE 573 CA 273 0.859E+00 0.173E-01 -0.242E-02 +TRP 631 CD1 413 ILE 573 C 274 0.925E+00 -0.857E-01 -0.137E-02 +TRP 631 CD1 413 ILE 573 O 275 0.102E+01 0.811E-01 -0.822E-03 +TRP 631 CD1 413 ILE 573 CB 276 0.933E+00 -0.921E-02 -0.147E-02 +TRP 631 CD1 413 ILE 573 CG1 277 0.916E+00 -0.337E-02 -0.165E-02 +TRP 631 CD1 413 ILE 573 CD1 279 0.994E+00 0.136E-01 -0.101E-02 +TRP 631 CD1 413 LYS 574 N 281 0.907E+00 0.677E-01 -0.190E-02 +TRP 631 CD1 413 LYS 574 CA 282 0.999E+00 0.523E-02 -0.978E-03 +TRP 631 CD1 413 LYS 574 C 283 0.992E+00 -0.982E-01 -0.906E-03 +TRP 631 CD1 413 LYS 574 CB 285 0.996E+00 0.145E-01 -0.996E-03 +TRP 631 CD1 413 LYS 574 CG 286 0.105E+01 -0.414E-02 -0.743E-03 +TRP 631 CD1 413 GLN 575 N 294 0.880E+00 0.631E-01 -0.227E-02 +TRP 631 CD1 413 GLN 575 CA 295 0.897E+00 -0.585E-02 -0.186E-02 +TRP 631 CD1 413 GLN 575 C 296 0.985E+00 -0.573E-01 -0.944E-03 +TRP 631 CD1 413 GLN 575 CB 298 0.778E+00 0.644E-02 -0.435E-02 +TRP 631 CD1 413 GLN 575 CG 299 0.709E+00 0.479E-02 -0.757E-02 +TRP 631 CD1 413 GLN 575 CD 300 0.816E+00 -0.124E+00 -0.291E-02 +TRP 631 CD1 413 GLN 575 OE1 301 0.884E+00 0.102E+00 -0.188E-02 +TRP 631 CD1 413 GLN 575 NE2 302 0.854E+00 0.151E+00 -0.273E-02 +TRP 631 CD1 413 LEU 576 N 306 0.961E+00 0.504E-01 -0.134E-02 +TRP 631 CD1 413 LEU 576 CB 310 0.104E+01 0.182E-01 -0.769E-03 +TRP 631 CD1 413 LEU 576 CG 311 0.930E+00 -0.287E-01 -0.150E-02 +TRP 631 CD1 413 LEU 576 CD1 312 0.950E+00 0.178E-01 -0.132E-02 +TRP 631 CD1 413 LEU 576 CD2 313 0.967E+00 0.173E-01 -0.119E-02 +TRP 631 CD2 414 HIS 564 C 184 0.998E+00 0.459E-01 -0.872E-03 +TRP 631 CD2 414 HIS 564 O 185 0.912E+00 -0.421E-01 -0.156E-02 +TRP 631 CD2 414 LEU 565 N 195 0.100E+01 -0.244E-01 -0.103E-02 +TRP 631 CD2 414 LEU 565 CA 196 0.911E+00 -0.806E-02 -0.169E-02 +TRP 631 CD2 414 LEU 565 C 197 0.902E+00 0.464E-01 -0.159E-02 +TRP 631 CD2 414 LEU 565 O 198 0.801E+00 -0.552E-01 -0.341E-02 +TRP 631 CD2 414 LEU 565 CB 199 0.979E+00 -0.103E-01 -0.111E-02 +TRP 631 CD2 414 LEU 565 CG 200 0.977E+00 0.137E-01 -0.111E-02 +TRP 631 CD2 414 LEU 565 CD1 201 0.102E+01 -0.824E-02 -0.851E-03 +TRP 631 CD2 414 LEU 565 CD2 202 0.850E+00 -0.110E-01 -0.257E-02 +TRP 631 CD2 414 LEU 566 N 204 0.102E+01 -0.238E-01 -0.923E-03 +TRP 631 CD2 414 LEU 566 C 206 0.996E+00 0.399E-01 -0.880E-03 +TRP 631 CD2 414 LEU 566 O 207 0.957E+00 -0.412E-01 -0.117E-02 +TRP 631 CD2 414 GLN 567 N 213 0.100E+01 -0.266E-01 -0.103E-02 +TRP 631 CD2 414 GLN 567 CA 214 0.976E+00 0.265E-02 -0.112E-02 +TRP 631 CD2 414 GLN 567 C 215 0.832E+00 0.388E-01 -0.258E-02 +TRP 631 CD2 414 GLN 567 O 216 0.812E+00 -0.546E-01 -0.314E-02 +TRP 631 CD2 414 GLN 567 CB 217 0.104E+01 -0.209E-02 -0.763E-03 +TRP 631 CD2 414 LEU 568 N 225 0.745E+00 -0.401E-01 -0.618E-02 +TRP 631 CD2 414 LEU 568 CA 226 0.604E+00 -0.173E-01 -0.194E-01 +TRP 631 CD2 414 LEU 568 C 227 0.557E+00 0.117E+00 -0.273E-01 +TRP 631 CD2 414 LEU 568 O 228 0.505E+00 -0.143E+00 -0.512E-01 +TRP 631 CD2 414 LEU 568 CB 229 0.555E+00 -0.297E-01 -0.315E-01 +TRP 631 CD2 414 LEU 568 CG 230 0.651E+00 0.281E-01 -0.125E-01 +TRP 631 CD2 414 LEU 568 CD1 231 0.647E+00 -0.183E-01 -0.130E-01 +TRP 631 CD2 414 LEU 568 CD2 232 0.668E+00 -0.171E-01 -0.108E-01 +TRP 631 CD2 414 THR 569 N 234 0.623E+00 -0.393E-01 -0.178E-01 +TRP 631 CD2 414 THR 569 CA 235 0.641E+00 -0.410E-01 -0.137E-01 +TRP 631 CD2 414 THR 569 C 236 0.718E+00 0.676E-01 -0.621E-02 +TRP 631 CD2 414 THR 569 O 237 0.711E+00 -0.679E-01 -0.691E-02 +TRP 631 CD2 414 THR 569 CB 238 0.750E+00 0.265E-01 -0.540E-02 +TRP 631 CD2 414 THR 569 OG1 239 0.866E+00 -0.522E-01 -0.236E-02 +TRP 631 CD2 414 THR 569 CG2 240 0.723E+00 -0.210E-01 -0.676E-02 +TRP 631 CD2 414 THR 569 HG1 242 0.858E+00 0.356E-01 0.000E+00 +TRP 631 CD2 414 VAL 570 N 243 0.812E+00 -0.435E-01 -0.369E-02 +TRP 631 CD2 414 VAL 570 CA 244 0.908E+00 -0.417E-02 -0.173E-02 +TRP 631 CD2 414 VAL 570 C 245 0.856E+00 0.395E-01 -0.219E-02 +TRP 631 CD2 414 VAL 570 O 246 0.907E+00 -0.325E-01 -0.162E-02 +TRP 631 CD2 414 VAL 570 CB 247 0.102E+01 0.264E-01 -0.839E-03 +TRP 631 CD2 414 TRP 571 N 251 0.779E+00 -0.445E-01 -0.473E-02 +TRP 631 CD2 414 TRP 571 CA 252 0.747E+00 -0.224E-02 -0.554E-02 +TRP 631 CD2 414 TRP 571 C 253 0.677E+00 0.792E-01 -0.883E-02 +TRP 631 CD2 414 TRP 571 O 254 0.736E+00 -0.571E-01 -0.565E-02 +TRP 631 CD2 414 TRP 571 CB 255 0.685E+00 -0.130E-01 -0.928E-02 +TRP 631 CD2 414 TRP 571 CG 256 0.679E+00 -0.135E-01 -0.865E-02 +TRP 631 CD2 414 TRP 571 CD1 257 0.801E+00 -0.172E-01 -0.325E-02 +TRP 631 CD2 414 TRP 571 CD2 258 0.590E+00 0.162E-01 -0.196E-01 +TRP 631 CD2 414 TRP 571 NE1 259 0.800E+00 -0.295E-01 -0.402E-02 +TRP 631 CD2 414 TRP 571 CE2 260 0.687E+00 0.187E-01 -0.809E-02 +TRP 631 CD2 414 TRP 571 CE3 261 0.465E+00 -0.481E-01 -0.722E-01 +TRP 631 CD2 414 TRP 571 CZ2 262 0.682E+00 -0.282E-01 -0.843E-02 +TRP 631 CD2 414 TRP 571 CZ3 263 0.458E+00 -0.531E-01 -0.778E-01 +TRP 631 CD2 414 TRP 571 CH2 264 0.578E+00 -0.250E-01 -0.221E-01 +TRP 631 CD2 414 TRP 571 HE1 266 0.885E+00 0.269E-01 -0.619E-04 +TRP 631 CD2 414 GLY 572 N 267 0.585E+00 -0.687E-01 -0.256E-01 +TRP 631 CD2 414 GLY 572 CA 268 0.549E+00 -0.273E-01 -0.336E-01 +TRP 631 CD2 414 GLY 572 C 269 0.685E+00 0.768E-01 -0.820E-02 +TRP 631 CD2 414 GLY 572 O 270 0.739E+00 -0.583E-01 -0.552E-02 +TRP 631 CD2 414 ILE 573 N 272 0.768E+00 -0.481E-01 -0.513E-02 +TRP 631 CD2 414 ILE 573 CA 273 0.906E+00 -0.820E-02 -0.175E-02 +TRP 631 CD2 414 ILE 573 C 274 0.989E+00 0.400E-01 -0.921E-03 +TRP 631 CD2 414 ILE 573 CB 276 0.992E+00 0.434E-02 -0.102E-02 +TRP 631 CD2 414 ILE 573 CG1 277 0.955E+00 0.163E-02 -0.128E-02 +TRP 631 CD2 414 ILE 573 CD1 279 0.105E+01 -0.654E-02 -0.738E-03 +TRP 631 CD2 414 LYS 574 N 281 0.100E+01 -0.302E-01 -0.106E-02 +TRP 631 CD2 414 GLN 575 N 294 0.965E+00 -0.282E-01 -0.131E-02 +TRP 631 CD2 414 GLN 575 CA 295 0.963E+00 0.271E-02 -0.122E-02 +TRP 631 CD2 414 GLN 575 C 296 0.102E+01 0.281E-01 -0.763E-03 +TRP 631 CD2 414 GLN 575 CB 298 0.834E+00 -0.295E-02 -0.288E-02 +TRP 631 CD2 414 GLN 575 CG 299 0.795E+00 -0.201E-02 -0.384E-02 +TRP 631 CD2 414 GLN 575 CD 300 0.908E+00 0.536E-01 -0.154E-02 +TRP 631 CD2 414 GLN 575 OE1 301 0.955E+00 -0.466E-01 -0.119E-02 +TRP 631 CD2 414 GLN 575 NE2 302 0.973E+00 -0.637E-01 -0.125E-02 +TRP 631 CD2 414 LEU 576 N 306 0.980E+00 -0.253E-01 -0.120E-02 +TRP 631 CD2 414 LEU 576 CB 310 0.101E+01 -0.980E-02 -0.909E-03 +TRP 631 CD2 414 LEU 576 CG 311 0.880E+00 0.162E-01 -0.208E-02 +TRP 631 CD2 414 LEU 576 CD1 312 0.877E+00 -0.104E-01 -0.213E-02 +TRP 631 CD2 414 LEU 576 CD2 313 0.899E+00 -0.100E-01 -0.183E-02 +TRP 631 NE1 415 GLN 563 O 173 0.102E+01 0.125E+00 -0.966E-03 +TRP 631 NE1 415 HIS 564 CA 183 0.969E+00 -0.744E-02 -0.144E-02 +TRP 631 NE1 415 HIS 564 C 184 0.837E+00 -0.201E+00 -0.306E-02 +TRP 631 NE1 415 HIS 564 O 185 0.740E+00 0.200E+00 -0.663E-02 +TRP 631 NE1 415 HIS 564 CB 186 0.101E+01 0.344E-01 -0.114E-02 +TRP 631 NE1 415 LEU 565 N 195 0.857E+00 0.104E+00 -0.328E-02 +TRP 631 NE1 415 LEU 565 CA 196 0.768E+00 0.357E-01 -0.580E-02 +TRP 631 NE1 415 LEU 565 C 197 0.735E+00 -0.219E+00 -0.666E-02 +TRP 631 NE1 415 LEU 565 O 198 0.627E+00 0.293E+00 -0.178E-01 +TRP 631 NE1 415 LEU 565 CB 199 0.855E+00 0.422E-01 -0.304E-02 +TRP 631 NE1 415 LEU 565 CG 200 0.886E+00 -0.530E-01 -0.246E-02 +TRP 631 NE1 415 LEU 565 CD1 201 0.944E+00 0.308E-01 -0.169E-02 +TRP 631 NE1 415 LEU 565 CD2 202 0.778E+00 0.424E-01 -0.535E-02 +TRP 631 NE1 415 LEU 566 N 204 0.846E+00 0.106E+00 -0.355E-02 +TRP 631 NE1 415 LEU 566 CA 205 0.863E+00 0.291E-01 -0.288E-02 +TRP 631 NE1 415 LEU 566 C 206 0.790E+00 -0.193E+00 -0.435E-02 +TRP 631 NE1 415 LEU 566 O 207 0.746E+00 0.208E+00 -0.634E-02 +TRP 631 NE1 415 LEU 566 CB 208 0.102E+01 0.322E-01 -0.109E-02 +TRP 631 NE1 415 GLN 567 N 213 0.795E+00 0.128E+00 -0.512E-02 +TRP 631 NE1 415 GLN 567 CA 214 0.760E+00 -0.133E-01 -0.615E-02 +TRP 631 NE1 415 GLN 567 C 215 0.615E+00 -0.229E+00 -0.192E-01 +TRP 631 NE1 415 GLN 567 O 216 0.590E+00 0.337E+00 -0.254E-01 +TRP 631 NE1 415 GLN 567 CB 217 0.833E+00 0.979E-02 -0.356E-02 +TRP 631 NE1 415 GLN 567 CG 218 0.985E+00 0.469E-02 -0.131E-02 +TRP 631 NE1 415 GLN 567 OE1 220 0.100E+01 0.144E+00 -0.109E-02 +TRP 631 NE1 415 LEU 568 N 225 0.536E+00 0.262E+00 -0.521E-01 +TRP 631 NE1 415 LEU 568 CA 226 0.396E+00 0.157E+00 -0.202E+00 +TRP 631 NE1 415 LEU 568 C 227 0.339E+00 -0.136E+01 -0.722E-01 +TRP 631 NE1 415 LEU 568 O 228 0.283E+00 0.220E+01 0.160E+01 +TRP 631 NE1 415 LEU 568 CB 229 0.382E+00 0.247E+00 -0.218E+00 +TRP 631 NE1 415 LEU 568 CG 230 0.502E+00 -0.165E+00 -0.682E-01 +TRP 631 NE1 415 LEU 568 CD1 231 0.543E+00 0.880E-01 -0.440E-01 +TRP 631 NE1 415 LEU 568 CD2 232 0.522E+00 0.966E-01 -0.554E-01 +TRP 631 NE1 415 THR 569 N 234 0.418E+00 0.331E+00 -0.190E+00 +TRP 631 NE1 415 THR 569 CA 235 0.453E+00 0.299E+00 -0.117E+00 +TRP 631 NE1 415 THR 569 C 236 0.522E+00 -0.440E+00 -0.491E-01 +TRP 631 NE1 415 THR 569 O 237 0.533E+00 0.413E+00 -0.461E-01 +TRP 631 NE1 415 THR 569 CB 238 0.582E+00 -0.146E+00 -0.297E-01 +TRP 631 NE1 415 THR 569 OG1 239 0.681E+00 0.267E+00 -0.121E-01 +TRP 631 NE1 415 THR 569 CG2 240 0.582E+00 0.108E+00 -0.297E-01 +TRP 631 NE1 415 THR 569 HG1 242 0.666E+00 -0.187E+00 0.000E+00 +TRP 631 NE1 415 VAL 570 N 243 0.601E+00 0.258E+00 -0.269E-01 +TRP 631 NE1 415 VAL 570 CA 244 0.699E+00 0.219E-01 -0.101E-01 +TRP 631 NE1 415 VAL 570 C 245 0.654E+00 -0.215E+00 -0.134E-01 +TRP 631 NE1 415 VAL 570 O 246 0.720E+00 0.161E+00 -0.781E-02 +TRP 631 NE1 415 VAL 570 CB 247 0.808E+00 -0.127E+00 -0.427E-02 +TRP 631 NE1 415 VAL 570 CG1 248 0.919E+00 0.235E-01 -0.198E-02 +TRP 631 NE1 415 VAL 570 CG2 249 0.886E+00 0.249E-01 -0.247E-02 +TRP 631 NE1 415 TRP 571 N 251 0.571E+00 0.274E+00 -0.361E-01 +TRP 631 NE1 415 TRP 571 CA 252 0.558E+00 0.135E-01 -0.377E-01 +TRP 631 NE1 415 TRP 571 C 253 0.513E+00 -0.478E+00 -0.540E-01 +TRP 631 NE1 415 TRP 571 O 254 0.598E+00 0.287E+00 -0.236E-01 +TRP 631 NE1 415 TRP 571 CB 255 0.500E+00 0.851E-01 -0.700E-01 +TRP 631 NE1 415 TRP 571 CG 256 0.532E+00 0.750E-01 -0.438E-01 +TRP 631 NE1 415 TRP 571 CD1 257 0.663E+00 0.813E-01 -0.123E-01 +TRP 631 NE1 415 TRP 571 CD2 258 0.482E+00 -0.853E-01 -0.755E-01 +TRP 631 NE1 415 TRP 571 NE1 259 0.696E+00 0.127E+00 -0.113E-01 +TRP 631 NE1 415 TRP 571 CE2 260 0.606E+00 -0.801E-01 -0.209E-01 +TRP 631 NE1 415 TRP 571 CE3 261 0.385E+00 0.258E+00 -0.191E+00 +TRP 631 NE1 415 TRP 571 CZ2 262 0.646E+00 0.104E+00 -0.143E-01 +TRP 631 NE1 415 TRP 571 CZ3 263 0.446E+00 0.188E+00 -0.111E+00 +TRP 631 NE1 415 TRP 571 CH2 264 0.578E+00 0.830E-01 -0.275E-01 +TRP 631 NE1 415 TRP 571 HE1 266 0.790E+00 -0.108E+00 -0.140E-03 +TRP 631 NE1 415 GLY 572 N 267 0.422E+00 0.494E+00 -0.183E+00 +TRP 631 NE1 415 GLY 572 CA 268 0.433E+00 0.160E+00 -0.145E+00 +TRP 631 NE1 415 GLY 572 C 269 0.579E+00 -0.361E+00 -0.272E-01 +TRP 631 NE1 415 GLY 572 O 270 0.661E+00 0.240E+00 -0.131E-01 +TRP 631 NE1 415 ILE 573 N 272 0.637E+00 0.229E+00 -0.192E-01 +TRP 631 NE1 415 ILE 573 CA 273 0.781E+00 0.350E-01 -0.524E-02 +TRP 631 NE1 415 ILE 573 C 274 0.864E+00 -0.164E+00 -0.254E-02 +TRP 631 NE1 415 ILE 573 O 275 0.957E+00 0.152E+00 -0.143E-02 +TRP 631 NE1 415 ILE 573 CB 276 0.846E+00 -0.185E-01 -0.325E-02 +TRP 631 NE1 415 ILE 573 CG1 277 0.813E+00 -0.702E-02 -0.411E-02 +TRP 631 NE1 415 ILE 573 CG2 278 0.997E+00 0.299E-01 -0.121E-02 +TRP 631 NE1 415 ILE 573 CD1 279 0.889E+00 0.278E-01 -0.242E-02 +TRP 631 NE1 415 LYS 574 N 281 0.859E+00 0.127E+00 -0.323E-02 +TRP 631 NE1 415 LYS 574 CA 282 0.965E+00 0.943E-02 -0.148E-02 +TRP 631 NE1 415 LYS 574 C 283 0.969E+00 -0.174E+00 -0.128E-02 +TRP 631 NE1 415 LYS 574 CB 285 0.974E+00 0.258E-01 -0.140E-02 +TRP 631 NE1 415 LYS 574 CG 286 0.101E+01 -0.740E-02 -0.110E-02 +TRP 631 NE1 415 GLN 575 N 294 0.865E+00 0.111E+00 -0.309E-02 +TRP 631 NE1 415 GLN 575 CA 295 0.894E+00 -0.101E-01 -0.234E-02 +TRP 631 NE1 415 GLN 575 C 296 0.970E+00 -0.100E+00 -0.127E-02 +TRP 631 NE1 415 GLN 575 CB 298 0.783E+00 0.109E-01 -0.515E-02 +TRP 631 NE1 415 GLN 575 CG 299 0.735E+00 0.765E-02 -0.749E-02 +TRP 631 NE1 415 GLN 575 CD 300 0.858E+00 -0.195E+00 -0.265E-02 +TRP 631 NE1 415 GLN 575 OE1 301 0.931E+00 0.160E+00 -0.168E-02 +TRP 631 NE1 415 GLN 575 NE2 302 0.901E+00 0.237E+00 -0.242E-02 +TRP 631 NE1 415 LEU 576 N 306 0.930E+00 0.908E-01 -0.200E-02 +TRP 631 NE1 415 LEU 576 CA 307 0.103E+01 0.223E-01 -0.102E-02 +TRP 631 NE1 415 LEU 576 CB 310 0.985E+00 0.337E-01 -0.131E-02 +TRP 631 NE1 415 LEU 576 CG 311 0.876E+00 -0.541E-01 -0.265E-02 +TRP 631 NE1 415 LEU 576 CD1 312 0.878E+00 0.345E-01 -0.260E-02 +TRP 631 NE1 415 LEU 576 CD2 313 0.927E+00 0.316E-01 -0.189E-02 +TRP 631 CE2 416 HIS 564 C 184 0.921E+00 0.819E-01 -0.141E-02 +TRP 631 CE2 416 HIS 564 O 185 0.834E+00 -0.770E-01 -0.268E-02 +TRP 631 CE2 416 LEU 565 N 195 0.924E+00 -0.437E-01 -0.170E-02 +TRP 631 CE2 416 LEU 565 CA 196 0.823E+00 -0.151E-01 -0.313E-02 +TRP 631 CE2 416 LEU 565 C 197 0.797E+00 0.903E-01 -0.335E-02 +TRP 631 CE2 416 LEU 565 O 198 0.688E+00 -0.115E+00 -0.841E-02 +TRP 631 CE2 416 LEU 565 CB 199 0.890E+00 -0.188E-01 -0.195E-02 +TRP 631 CE2 416 LEU 565 CG 200 0.904E+00 0.245E-01 -0.178E-02 +TRP 631 CE2 416 LEU 565 CD1 201 0.943E+00 -0.147E-01 -0.138E-02 +TRP 631 CE2 416 LEU 565 CD2 202 0.789E+00 -0.197E-01 -0.402E-02 +TRP 631 CE2 416 LEU 566 N 204 0.913E+00 -0.446E-01 -0.183E-02 +TRP 631 CE2 416 LEU 566 CA 205 0.935E+00 -0.122E-01 -0.145E-02 +TRP 631 CE2 416 LEU 566 C 206 0.877E+00 0.767E-01 -0.189E-02 +TRP 631 CE2 416 LEU 566 O 207 0.832E+00 -0.816E-01 -0.272E-02 +TRP 631 CE2 416 GLN 567 N 213 0.895E+00 -0.501E-01 -0.205E-02 +TRP 631 CE2 416 GLN 567 CA 214 0.874E+00 0.498E-02 -0.217E-02 +TRP 631 CE2 416 GLN 567 C 215 0.733E+00 0.769E-01 -0.553E-02 +TRP 631 CE2 416 GLN 567 O 216 0.713E+00 -0.109E+00 -0.682E-02 +TRP 631 CE2 416 GLN 567 CB 217 0.954E+00 -0.375E-02 -0.129E-02 +TRP 631 CE2 416 LEU 568 N 225 0.647E+00 -0.832E-01 -0.143E-01 +TRP 631 CE2 416 LEU 568 CA 226 0.511E+00 -0.396E-01 -0.497E-01 +TRP 631 CE2 416 LEU 568 C 227 0.443E+00 0.319E+00 -0.911E-01 +TRP 631 CE2 416 LEU 568 O 228 0.394E+00 -0.419E+00 -0.175E+00 +TRP 631 CE2 416 LEU 568 CB 229 0.478E+00 -0.662E-01 -0.708E-01 +TRP 631 CE2 416 LEU 568 CG 230 0.598E+00 0.531E-01 -0.206E-01 +TRP 631 CE2 416 LEU 568 CD1 231 0.613E+00 -0.322E-01 -0.178E-01 +TRP 631 CE2 416 LEU 568 CD2 232 0.633E+00 -0.302E-01 -0.148E-01 +TRP 631 CE2 416 THR 569 N 234 0.495E+00 -0.104E+00 -0.657E-01 +TRP 631 CE2 416 THR 569 CA 235 0.504E+00 -0.110E+00 -0.540E-01 +TRP 631 CE2 416 THR 569 C 236 0.585E+00 0.162E+00 -0.206E-01 +TRP 631 CE2 416 THR 569 O 237 0.583E+00 -0.161E+00 -0.224E-01 +TRP 631 CE2 416 THR 569 CB 238 0.612E+00 0.625E-01 -0.180E-01 +TRP 631 CE2 416 THR 569 OG1 239 0.729E+00 -0.112E+00 -0.660E-02 +TRP 631 CE2 416 THR 569 CG2 240 0.591E+00 -0.498E-01 -0.220E-01 +TRP 631 CE2 416 THR 569 HG1 242 0.726E+00 0.757E-01 0.000E+00 +TRP 631 CE2 416 VAL 570 N 243 0.684E+00 -0.943E-01 -0.102E-01 +TRP 631 CE2 416 VAL 570 CA 244 0.786E+00 -0.839E-02 -0.409E-02 +TRP 631 CE2 416 VAL 570 C 245 0.747E+00 0.791E-01 -0.492E-02 +TRP 631 CE2 416 VAL 570 O 246 0.805E+00 -0.627E-01 -0.332E-02 +TRP 631 CE2 416 VAL 570 CB 247 0.906E+00 0.502E-01 -0.175E-02 +TRP 631 CE2 416 VAL 570 CG1 248 0.102E+01 -0.957E-02 -0.873E-03 +TRP 631 CE2 416 VAL 570 CG2 249 0.975E+00 -0.102E-01 -0.113E-02 +TRP 631 CE2 416 TRP 571 N 251 0.679E+00 -0.908E-01 -0.106E-01 +TRP 631 CE2 416 TRP 571 CA 252 0.668E+00 -0.439E-02 -0.108E-01 +TRP 631 CE2 416 TRP 571 C 253 0.601E+00 0.160E+00 -0.178E-01 +TRP 631 CE2 416 TRP 571 O 254 0.674E+00 -0.107E+00 -0.948E-02 +TRP 631 CE2 416 TRP 571 CB 255 0.623E+00 -0.248E-01 -0.162E-01 +TRP 631 CE2 416 TRP 571 CG 256 0.646E+00 -0.235E-01 -0.117E-01 +TRP 631 CE2 416 TRP 571 CD1 257 0.777E+00 -0.287E-01 -0.391E-02 +TRP 631 CE2 416 TRP 571 CD2 258 0.578E+00 0.268E-01 -0.222E-01 +TRP 631 CE2 416 TRP 571 NE1 259 0.797E+00 -0.469E-01 -0.412E-02 +TRP 631 CE2 416 TRP 571 CE2 260 0.694E+00 0.289E-01 -0.762E-02 +TRP 631 CE2 416 TRP 571 CE3 261 0.460E+00 -0.778E-01 -0.759E-01 +TRP 631 CE2 416 TRP 571 CZ2 262 0.714E+00 -0.407E-01 -0.646E-02 +TRP 631 CE2 416 TRP 571 CZ3 263 0.489E+00 -0.714E-01 -0.558E-01 +TRP 631 CE2 416 TRP 571 CH2 264 0.623E+00 -0.337E-01 -0.144E-01 +TRP 631 CE2 416 TRP 571 HE1 266 0.889E+00 0.422E-01 -0.602E-04 +TRP 631 CE2 416 GLY 572 N 267 0.495E+00 -0.159E+00 -0.656E-01 +TRP 631 CE2 416 GLY 572 CA 268 0.468E+00 -0.627E-01 -0.793E-01 +TRP 631 CE2 416 GLY 572 C 269 0.603E+00 0.157E+00 -0.173E-01 +TRP 631 CE2 416 GLY 572 O 270 0.674E+00 -0.110E+00 -0.953E-02 +TRP 631 CE2 416 ILE 573 N 272 0.669E+00 -0.987E-01 -0.116E-01 +TRP 631 CE2 416 ILE 573 CA 273 0.808E+00 -0.157E-01 -0.348E-02 +TRP 631 CE2 416 ILE 573 C 274 0.901E+00 0.729E-01 -0.160E-02 +TRP 631 CE2 416 ILE 573 O 275 0.985E+00 -0.692E-01 -0.988E-03 +TRP 631 CE2 416 ILE 573 CB 276 0.880E+00 0.826E-02 -0.209E-02 +TRP 631 CE2 416 ILE 573 CG1 277 0.834E+00 0.320E-02 -0.287E-02 +TRP 631 CE2 416 ILE 573 CG2 278 0.103E+01 -0.136E-01 -0.827E-03 +TRP 631 CE2 416 ILE 573 CD1 279 0.918E+00 -0.126E-01 -0.162E-02 +TRP 631 CE2 416 LYS 574 N 281 0.914E+00 -0.546E-01 -0.181E-02 +TRP 631 CE2 416 LYS 574 CA 282 0.103E+01 -0.410E-02 -0.832E-03 +TRP 631 CE2 416 LYS 574 C 283 0.102E+01 0.766E-01 -0.754E-03 +TRP 631 CE2 416 GLN 575 N 294 0.915E+00 -0.484E-01 -0.180E-02 +TRP 631 CE2 416 GLN 575 CA 295 0.933E+00 0.449E-02 -0.148E-02 +TRP 631 CE2 416 GLN 575 C 296 0.991E+00 0.464E-01 -0.910E-03 +TRP 631 CE2 416 GLN 575 CB 298 0.816E+00 -0.484E-02 -0.328E-02 +TRP 631 CE2 416 GLN 575 CG 299 0.786E+00 -0.323E-02 -0.410E-02 +TRP 631 CE2 416 GLN 575 CD 300 0.912E+00 0.840E-01 -0.150E-02 +TRP 631 CE2 416 GLN 575 OE1 301 0.973E+00 -0.714E-01 -0.106E-02 +TRP 631 CE2 416 GLN 575 NE2 302 0.971E+00 -0.101E+00 -0.126E-02 +TRP 631 CE2 416 LEU 576 N 306 0.940E+00 -0.426E-01 -0.154E-02 +TRP 631 CE2 416 LEU 576 CA 307 0.102E+01 -0.107E-01 -0.861E-03 +TRP 631 CE2 416 LEU 576 CB 310 0.965E+00 -0.166E-01 -0.120E-02 +TRP 631 CE2 416 LEU 576 CG 311 0.842E+00 0.275E-01 -0.272E-02 +TRP 631 CE2 416 LEU 576 CD1 312 0.829E+00 -0.181E-01 -0.298E-02 +TRP 631 CE2 416 LEU 576 CD2 313 0.884E+00 -0.163E-01 -0.203E-02 +TRP 631 CE3 417 HIS 564 O 185 0.103E+01 0.603E-01 -0.771E-03 +TRP 631 CE3 417 LEU 565 CA 196 0.100E+01 0.120E-01 -0.969E-03 +TRP 631 CE3 417 LEU 565 C 197 0.998E+00 -0.680E-01 -0.869E-03 +TRP 631 CE3 417 LEU 565 O 198 0.899E+00 0.779E-01 -0.171E-02 +TRP 631 CE3 417 LEU 565 CG 200 0.104E+01 -0.216E-01 -0.789E-03 +TRP 631 CE3 417 LEU 565 CD2 202 0.903E+00 0.170E-01 -0.179E-02 +TRP 631 CE3 417 GLN 567 C 215 0.963E+00 -0.525E-01 -0.108E-02 +TRP 631 CE3 417 GLN 567 O 216 0.945E+00 0.729E-01 -0.127E-02 +TRP 631 CE3 417 LEU 568 N 225 0.871E+00 0.521E-01 -0.242E-02 +TRP 631 CE3 417 LEU 568 CA 226 0.733E+00 0.201E-01 -0.620E-02 +TRP 631 CE3 417 LEU 568 C 227 0.681E+00 -0.131E+00 -0.851E-02 +TRP 631 CE3 417 LEU 568 O 228 0.631E+00 0.149E+00 -0.141E-01 +TRP 631 CE3 417 LEU 568 CB 229 0.675E+00 0.335E-01 -0.101E-01 +TRP 631 CE3 417 LEU 568 CG 230 0.768E+00 -0.350E-01 -0.470E-02 +TRP 631 CE3 417 LEU 568 CD1 231 0.746E+00 0.237E-01 -0.558E-02 +TRP 631 CE3 417 LEU 568 CD2 232 0.793E+00 0.212E-01 -0.390E-02 +TRP 631 CE3 417 THR 569 N 234 0.733E+00 0.487E-01 -0.679E-02 +TRP 631 CE3 417 THR 569 CA 235 0.737E+00 0.534E-01 -0.601E-02 +TRP 631 CE3 417 THR 569 C 236 0.819E+00 -0.912E-01 -0.284E-02 +TRP 631 CE3 417 THR 569 O 237 0.803E+00 0.930E-01 -0.335E-02 +TRP 631 CE3 417 THR 569 CB 238 0.831E+00 -0.378E-01 -0.294E-02 +TRP 631 CE3 417 THR 569 OG1 239 0.956E+00 0.763E-01 -0.131E-02 +TRP 631 CE3 417 THR 569 CG2 240 0.790E+00 0.305E-01 -0.398E-02 +TRP 631 CE3 417 THR 569 HG1 242 0.955E+00 -0.514E-01 0.000E+00 +TRP 631 CE3 417 VAL 570 N 243 0.923E+00 0.602E-01 -0.172E-02 +TRP 631 CE3 417 VAL 570 CA 244 0.102E+01 0.598E-02 -0.863E-03 +TRP 631 CE3 417 VAL 570 C 245 0.971E+00 -0.553E-01 -0.103E-02 +TRP 631 CE3 417 VAL 570 O 246 0.101E+01 0.469E-01 -0.825E-03 +TRP 631 CE3 417 TRP 571 N 251 0.902E+00 0.594E-01 -0.196E-02 +TRP 631 CE3 417 TRP 571 CA 252 0.870E+00 0.294E-02 -0.223E-02 +TRP 631 CE3 417 TRP 571 C 253 0.787E+00 -0.102E+00 -0.360E-02 +TRP 631 CE3 417 TRP 571 O 254 0.836E+00 0.778E-01 -0.263E-02 +TRP 631 CE3 417 TRP 571 CB 255 0.816E+00 0.161E-01 -0.329E-02 +TRP 631 CE3 417 TRP 571 CG 256 0.803E+00 0.169E-01 -0.321E-02 +TRP 631 CE3 417 TRP 571 CD1 257 0.922E+00 0.233E-01 -0.140E-02 +TRP 631 CE3 417 TRP 571 CD2 258 0.704E+00 -0.193E-01 -0.701E-02 +TRP 631 CE3 417 TRP 571 NE1 259 0.911E+00 0.407E-01 -0.185E-02 +TRP 631 CE3 417 TRP 571 CE2 260 0.790E+00 -0.246E-01 -0.351E-02 +TRP 631 CE3 417 TRP 571 CE3 261 0.571E+00 0.510E-01 -0.238E-01 +TRP 631 CE3 417 TRP 571 CZ2 262 0.767E+00 0.386E-01 -0.420E-02 +TRP 631 CE3 417 TRP 571 CZ3 263 0.538E+00 0.619E-01 -0.332E-01 +TRP 631 CE3 417 TRP 571 CH2 264 0.649E+00 0.336E-01 -0.113E-01 +TRP 631 CE3 417 TRP 571 HE1 266 0.992E+00 -0.386E-01 -0.312E-04 +TRP 631 CE3 417 GLY 572 N 267 0.690E+00 0.836E-01 -0.973E-02 +TRP 631 CE3 417 GLY 572 CA 268 0.631E+00 0.345E-01 -0.150E-01 +TRP 631 CE3 417 GLY 572 C 269 0.754E+00 -0.110E+00 -0.465E-02 +TRP 631 CE3 417 GLY 572 O 270 0.794E+00 0.875E-01 -0.359E-02 +TRP 631 CE3 417 ILE 573 N 272 0.843E+00 0.700E-01 -0.295E-02 +TRP 631 CE3 417 ILE 573 CA 273 0.973E+00 0.126E-01 -0.114E-02 +TRP 631 CE3 417 ILE 573 CG1 277 0.102E+01 -0.253E-02 -0.858E-03 +TRP 631 CE3 417 GLN 575 N 294 0.104E+01 0.433E-01 -0.838E-03 +TRP 631 CE3 417 GLN 575 CA 295 0.103E+01 -0.422E-02 -0.834E-03 +TRP 631 CE3 417 GLN 575 CB 298 0.893E+00 0.451E-02 -0.192E-02 +TRP 631 CE3 417 GLN 575 CG 299 0.868E+00 0.296E-02 -0.227E-02 +TRP 631 CE3 417 GLN 575 CD 300 0.978E+00 -0.817E-01 -0.983E-03 +TRP 631 CE3 417 GLN 575 OE1 301 0.101E+01 0.730E-01 -0.838E-03 +TRP 631 CE3 417 LEU 576 N 306 0.102E+01 0.409E-01 -0.943E-03 +TRP 631 CE3 417 LEU 576 CB 310 0.103E+01 0.164E-01 -0.832E-03 +TRP 631 CE3 417 LEU 576 CG 311 0.885E+00 -0.275E-01 -0.202E-02 +TRP 631 CE3 417 LEU 576 CD1 312 0.871E+00 0.181E-01 -0.222E-02 +TRP 631 CE3 417 LEU 576 CD2 313 0.889E+00 0.175E-01 -0.196E-02 +TRP 631 CZ2 418 HIS 564 C 184 0.960E+00 -0.114E+00 -0.110E-02 +TRP 631 CZ2 418 HIS 564 O 185 0.882E+00 0.104E+00 -0.192E-02 +TRP 631 CZ2 418 LEU 565 N 195 0.946E+00 0.626E-01 -0.148E-02 +TRP 631 CZ2 418 LEU 565 CA 196 0.830E+00 0.220E-01 -0.297E-02 +TRP 631 CZ2 418 LEU 565 C 197 0.796E+00 -0.134E+00 -0.337E-02 +TRP 631 CZ2 418 LEU 565 O 198 0.684E+00 0.174E+00 -0.871E-02 +TRP 631 CZ2 418 LEU 565 CB 199 0.878E+00 0.286E-01 -0.212E-02 +TRP 631 CZ2 418 LEU 565 CG 200 0.887E+00 -0.375E-01 -0.198E-02 +TRP 631 CZ2 418 LEU 565 CD1 201 0.905E+00 0.233E-01 -0.177E-02 +TRP 631 CZ2 418 LEU 565 CD2 202 0.782E+00 0.298E-01 -0.424E-02 +TRP 631 CZ2 418 LEU 566 N 204 0.909E+00 0.666E-01 -0.187E-02 +TRP 631 CZ2 418 LEU 566 CA 205 0.926E+00 0.184E-01 -0.154E-02 +TRP 631 CZ2 418 LEU 566 C 206 0.883E+00 -0.113E+00 -0.181E-02 +TRP 631 CZ2 418 LEU 566 O 207 0.832E+00 0.121E+00 -0.272E-02 +TRP 631 CZ2 418 GLN 567 N 213 0.921E+00 0.711E-01 -0.173E-02 +TRP 631 CZ2 418 GLN 567 CA 214 0.917E+00 -0.685E-02 -0.163E-02 +TRP 631 CZ2 418 GLN 567 C 215 0.784E+00 -0.101E+00 -0.370E-02 +TRP 631 CZ2 418 GLN 567 O 216 0.768E+00 0.141E+00 -0.436E-02 +TRP 631 CZ2 418 GLN 567 CB 217 0.101E+01 0.510E-02 -0.902E-03 +TRP 631 CZ2 418 LEU 568 N 225 0.696E+00 0.107E+00 -0.920E-02 +TRP 631 CZ2 418 LEU 568 CA 226 0.575E+00 0.451E-01 -0.258E-01 +TRP 631 CZ2 418 LEU 568 C 227 0.483E+00 -0.383E+00 -0.597E-01 +TRP 631 CZ2 418 LEU 568 O 228 0.446E+00 0.453E+00 -0.997E-01 +TRP 631 CZ2 418 LEU 568 CB 229 0.545E+00 0.726E-01 -0.351E-01 +TRP 631 CZ2 418 LEU 568 CG 230 0.675E+00 -0.613E-01 -0.101E-01 +TRP 631 CZ2 418 LEU 568 CD1 231 0.686E+00 0.381E-01 -0.922E-02 +TRP 631 CZ2 418 LEU 568 CD2 232 0.733E+00 0.335E-01 -0.622E-02 +TRP 631 CZ2 418 THR 569 N 234 0.499E+00 0.152E+00 -0.630E-01 +TRP 631 CZ2 418 THR 569 CA 235 0.475E+00 0.188E+00 -0.734E-01 +TRP 631 CZ2 418 THR 569 C 236 0.568E+00 -0.257E+00 -0.245E-01 +TRP 631 CZ2 418 THR 569 O 237 0.557E+00 0.264E+00 -0.291E-01 +TRP 631 CZ2 418 THR 569 CB 238 0.556E+00 -0.114E+00 -0.311E-01 +TRP 631 CZ2 418 THR 569 OG1 239 0.687E+00 0.186E+00 -0.936E-02 +TRP 631 CZ2 418 THR 569 CG2 240 0.522E+00 0.976E-01 -0.442E-01 +TRP 631 CZ2 418 THR 569 HG1 242 0.699E+00 -0.121E+00 0.000E+00 +TRP 631 CZ2 418 VAL 570 N 243 0.683E+00 0.140E+00 -0.103E-01 +TRP 631 CZ2 418 VAL 570 CA 244 0.791E+00 0.123E-01 -0.394E-02 +TRP 631 CZ2 418 VAL 570 C 245 0.771E+00 -0.111E+00 -0.409E-02 +TRP 631 CZ2 418 VAL 570 O 246 0.824E+00 0.895E-01 -0.287E-02 +TRP 631 CZ2 418 VAL 570 CB 247 0.921E+00 -0.727E-01 -0.159E-02 +TRP 631 CZ2 418 VAL 570 CG1 248 0.104E+01 0.139E-01 -0.785E-03 +TRP 631 CZ2 418 VAL 570 CG2 249 0.974E+00 0.152E-01 -0.114E-02 +TRP 631 CZ2 418 TRP 571 N 251 0.724E+00 0.119E+00 -0.727E-02 +TRP 631 CZ2 418 TRP 571 CA 252 0.731E+00 0.547E-02 -0.629E-02 +TRP 631 CZ2 418 TRP 571 C 253 0.653E+00 -0.199E+00 -0.109E-01 +TRP 631 CZ2 418 TRP 571 O 254 0.727E+00 0.137E+00 -0.605E-02 +TRP 631 CZ2 418 TRP 571 CB 255 0.711E+00 0.283E-01 -0.746E-02 +TRP 631 CZ2 418 TRP 571 CG 256 0.748E+00 0.263E-01 -0.489E-02 +TRP 631 CZ2 418 TRP 571 CD1 257 0.882E+00 0.343E-01 -0.182E-02 +TRP 631 CZ2 418 TRP 571 CD2 258 0.685E+00 -0.279E-01 -0.820E-02 +TRP 631 CZ2 418 TRP 571 NE1 259 0.908E+00 0.560E-01 -0.188E-02 +TRP 631 CZ2 418 TRP 571 CE2 260 0.806E+00 -0.326E-01 -0.313E-02 +TRP 631 CZ2 418 TRP 571 CE3 261 0.566E+00 0.711E-01 -0.249E-01 +TRP 631 CZ2 418 TRP 571 CZ2 262 0.826E+00 0.464E-01 -0.270E-02 +TRP 631 CZ2 418 TRP 571 CZ3 263 0.594E+00 0.682E-01 -0.189E-01 +TRP 631 CZ2 418 TRP 571 CH2 264 0.731E+00 0.364E-01 -0.561E-02 +TRP 631 CZ2 418 TRP 571 HE1 266 0.100E+01 -0.520E-01 -0.293E-04 +TRP 631 CZ2 418 GLY 572 N 267 0.531E+00 0.200E+00 -0.444E-01 +TRP 631 CZ2 418 GLY 572 CA 268 0.484E+00 0.859E-01 -0.669E-01 +TRP 631 CZ2 418 GLY 572 C 269 0.598E+00 -0.238E+00 -0.182E-01 +TRP 631 CZ2 418 GLY 572 O 270 0.670E+00 0.165E+00 -0.986E-02 +TRP 631 CZ2 418 ILE 573 N 272 0.652E+00 0.155E+00 -0.136E-01 +TRP 631 CZ2 418 ILE 573 CA 273 0.780E+00 0.248E-01 -0.430E-02 +TRP 631 CZ2 418 ILE 573 C 274 0.890E+00 -0.110E+00 -0.173E-02 +TRP 631 CZ2 418 ILE 573 O 275 0.969E+00 0.105E+00 -0.109E-02 +TRP 631 CZ2 418 ILE 573 CB 276 0.843E+00 -0.132E-01 -0.269E-02 +TRP 631 CZ2 418 ILE 573 CG1 277 0.778E+00 -0.537E-02 -0.434E-02 +TRP 631 CZ2 418 ILE 573 CG2 278 0.986E+00 0.215E-01 -0.106E-02 +TRP 631 CZ2 418 ILE 573 CD1 279 0.860E+00 0.207E-01 -0.239E-02 +TRP 631 CZ2 418 LYS 574 N 281 0.921E+00 0.801E-01 -0.173E-02 +TRP 631 CZ2 418 LYS 574 CA 282 0.104E+01 0.594E-02 -0.750E-03 +TRP 631 CZ2 418 LYS 574 C 283 0.105E+01 -0.110E+00 -0.653E-03 +TRP 631 CZ2 418 GLN 575 N 294 0.947E+00 0.681E-01 -0.146E-02 +TRP 631 CZ2 418 GLN 575 CA 295 0.970E+00 -0.628E-02 -0.117E-02 +TRP 631 CZ2 418 GLN 575 C 296 0.101E+01 -0.669E-01 -0.806E-03 +TRP 631 CZ2 418 GLN 575 CB 298 0.862E+00 0.655E-02 -0.237E-02 +TRP 631 CZ2 418 GLN 575 CG 299 0.855E+00 0.415E-02 -0.248E-02 +TRP 631 CZ2 418 GLN 575 CD 300 0.990E+00 -0.110E+00 -0.917E-03 +TRP 631 CZ2 418 LEU 576 N 306 0.943E+00 0.629E-01 -0.151E-02 +TRP 631 CZ2 418 LEU 576 CA 307 0.101E+01 0.162E-01 -0.924E-03 +TRP 631 CZ2 418 LEU 576 CB 310 0.934E+00 0.259E-01 -0.146E-02 +TRP 631 CZ2 418 LEU 576 CG 311 0.808E+00 -0.439E-01 -0.348E-02 +TRP 631 CZ2 418 LEU 576 CD1 312 0.771E+00 0.305E-01 -0.460E-02 +TRP 631 CZ2 418 LEU 576 CD2 313 0.859E+00 0.253E-01 -0.241E-02 +TRP 631 CZ3 419 LEU 565 CA 196 0.100E+01 0.126E-01 -0.944E-03 +TRP 631 CZ3 419 LEU 565 C 197 0.996E+00 -0.727E-01 -0.881E-03 +TRP 631 CZ3 419 LEU 565 O 198 0.894E+00 0.836E-01 -0.176E-02 +TRP 631 CZ3 419 LEU 565 CB 199 0.104E+01 0.172E-01 -0.768E-03 +TRP 631 CZ3 419 LEU 565 CG 200 0.102E+01 -0.235E-01 -0.866E-03 +TRP 631 CZ3 419 LEU 565 CD1 201 0.103E+01 0.149E-01 -0.813E-03 +TRP 631 CZ3 419 LEU 565 CD2 202 0.895E+00 0.184E-01 -0.189E-02 +TRP 631 CZ3 419 GLN 567 C 215 0.100E+01 -0.527E-01 -0.855E-03 +TRP 631 CZ3 419 GLN 567 O 216 0.986E+00 0.727E-01 -0.978E-03 +TRP 631 CZ3 419 LEU 568 N 225 0.907E+00 0.520E-01 -0.190E-02 +TRP 631 CZ3 419 LEU 568 CA 226 0.777E+00 0.192E-01 -0.438E-02 +TRP 631 CZ3 419 LEU 568 C 227 0.707E+00 -0.130E+00 -0.684E-02 +TRP 631 CZ3 419 LEU 568 O 228 0.663E+00 0.143E+00 -0.105E-01 +TRP 631 CZ3 419 LEU 568 CB 229 0.722E+00 0.314E-01 -0.678E-02 +TRP 631 CZ3 419 LEU 568 CG 230 0.828E+00 -0.327E-01 -0.300E-02 +TRP 631 CZ3 419 LEU 568 CD1 231 0.805E+00 0.220E-01 -0.354E-02 +TRP 631 CZ3 419 LEU 568 CD2 232 0.873E+00 0.192E-01 -0.219E-02 +TRP 631 CZ3 419 THR 569 N 234 0.734E+00 0.517E-01 -0.672E-02 +TRP 631 CZ3 419 THR 569 CA 235 0.717E+00 0.599E-01 -0.711E-02 +TRP 631 CZ3 419 THR 569 C 236 0.806E+00 -0.999E-01 -0.313E-02 +TRP 631 CZ3 419 THR 569 O 237 0.784E+00 0.103E+00 -0.386E-02 +TRP 631 CZ3 419 THR 569 CB 238 0.790E+00 -0.440E-01 -0.398E-02 +TRP 631 CZ3 419 THR 569 OG1 239 0.923E+00 0.857E-01 -0.161E-02 +TRP 631 CZ3 419 THR 569 CG2 240 0.739E+00 0.367E-01 -0.593E-02 +TRP 631 CZ3 419 THR 569 HG1 242 0.934E+00 -0.566E-01 0.000E+00 +TRP 631 CZ3 419 VAL 570 N 243 0.921E+00 0.643E-01 -0.173E-02 +TRP 631 CZ3 419 VAL 570 CA 244 0.102E+01 0.634E-02 -0.846E-03 +TRP 631 CZ3 419 VAL 570 C 245 0.988E+00 -0.573E-01 -0.924E-03 +TRP 631 CZ3 419 VAL 570 O 246 0.103E+01 0.489E-01 -0.754E-03 +TRP 631 CZ3 419 TRP 571 N 251 0.936E+00 0.596E-01 -0.157E-02 +TRP 631 CZ3 419 TRP 571 CA 252 0.919E+00 0.287E-02 -0.161E-02 +TRP 631 CZ3 419 TRP 571 C 253 0.828E+00 -0.995E-01 -0.267E-02 +TRP 631 CZ3 419 TRP 571 O 254 0.879E+00 0.762E-01 -0.195E-02 +TRP 631 CZ3 419 TRP 571 CB 255 0.884E+00 0.150E-01 -0.203E-02 +TRP 631 CZ3 419 TRP 571 CG 256 0.886E+00 0.152E-01 -0.177E-02 +TRP 631 CZ3 419 TRP 571 CD1 257 0.101E+01 0.216E-01 -0.801E-03 +TRP 631 CZ3 419 TRP 571 CD2 258 0.794E+00 -0.165E-01 -0.342E-02 +TRP 631 CZ3 419 TRP 571 NE1 259 0.101E+01 0.371E-01 -0.100E-02 +TRP 631 CZ3 419 TRP 571 CE2 260 0.890E+00 -0.214E-01 -0.173E-02 +TRP 631 CZ3 419 TRP 571 CE3 261 0.659E+00 0.401E-01 -0.103E-01 +TRP 631 CZ3 419 TRP 571 CZ2 262 0.873E+00 0.329E-01 -0.194E-02 +TRP 631 CZ3 419 TRP 571 CZ3 263 0.635E+00 0.461E-01 -0.129E-01 +TRP 631 CZ3 419 TRP 571 CH2 264 0.753E+00 0.268E-01 -0.469E-02 +TRP 631 CZ3 419 GLY 572 N 267 0.716E+00 0.828E-01 -0.781E-02 +TRP 631 CZ3 419 GLY 572 CA 268 0.643E+00 0.354E-01 -0.135E-01 +TRP 631 CZ3 419 GLY 572 C 269 0.750E+00 -0.118E+00 -0.481E-02 +TRP 631 CZ3 419 GLY 572 O 270 0.791E+00 0.939E-01 -0.367E-02 +TRP 631 CZ3 419 ILE 573 N 272 0.829E+00 0.766E-01 -0.325E-02 +TRP 631 CZ3 419 ILE 573 CA 273 0.950E+00 0.139E-01 -0.132E-02 +TRP 631 CZ3 419 ILE 573 CB 276 0.103E+01 -0.744E-02 -0.792E-03 +TRP 631 CZ3 419 ILE 573 CG1 277 0.976E+00 -0.288E-02 -0.112E-02 +TRP 631 CZ3 419 GLN 575 CB 298 0.935E+00 0.447E-02 -0.145E-02 +TRP 631 CZ3 419 GLN 575 CG 299 0.931E+00 0.281E-02 -0.149E-02 +TRP 631 CZ3 419 LEU 576 N 306 0.102E+01 0.433E-01 -0.923E-03 +TRP 631 CZ3 419 LEU 576 CB 310 0.997E+00 0.182E-01 -0.987E-03 +TRP 631 CZ3 419 LEU 576 CG 311 0.853E+00 -0.311E-01 -0.251E-02 +TRP 631 CZ3 419 LEU 576 CD1 312 0.816E+00 0.215E-01 -0.327E-02 +TRP 631 CZ3 419 LEU 576 CD2 313 0.865E+00 0.194E-01 -0.231E-02 +TRP 631 CH2 420 HIS 564 O 185 0.998E+00 0.543E-01 -0.912E-03 +TRP 631 CH2 420 LEU 565 N 195 0.104E+01 0.341E-01 -0.814E-03 +TRP 631 CH2 420 LEU 565 CA 196 0.924E+00 0.116E-01 -0.156E-02 +TRP 631 CH2 420 LEU 565 C 197 0.901E+00 -0.688E-01 -0.161E-02 +TRP 631 CH2 420 LEU 565 O 198 0.794E+00 0.828E-01 -0.358E-02 +TRP 631 CH2 420 LEU 565 CB 199 0.956E+00 0.158E-01 -0.127E-02 +TRP 631 CH2 420 LEU 565 CG 200 0.947E+00 -0.213E-01 -0.135E-02 +TRP 631 CH2 420 LEU 565 CD1 201 0.949E+00 0.136E-01 -0.133E-02 +TRP 631 CH2 420 LEU 565 CD2 202 0.836E+00 0.167E-01 -0.285E-02 +TRP 631 CH2 420 LEU 566 N 204 0.102E+01 0.354E-01 -0.956E-03 +TRP 631 CH2 420 LEU 566 CA 205 0.104E+01 0.976E-02 -0.769E-03 +TRP 631 CH2 420 LEU 566 C 206 0.101E+01 -0.579E-01 -0.820E-03 +TRP 631 CH2 420 LEU 566 O 207 0.959E+00 0.608E-01 -0.116E-02 +TRP 631 CH2 420 GLN 567 C 215 0.921E+00 -0.486E-01 -0.141E-02 +TRP 631 CH2 420 GLN 567 O 216 0.908E+00 0.669E-01 -0.160E-02 +TRP 631 CH2 420 LEU 568 N 225 0.830E+00 0.488E-01 -0.324E-02 +TRP 631 CH2 420 LEU 568 CA 226 0.709E+00 0.185E-01 -0.756E-02 +TRP 631 CH2 420 LEU 568 C 227 0.621E+00 -0.137E+00 -0.146E-01 +TRP 631 CH2 420 LEU 568 O 228 0.586E+00 0.151E+00 -0.218E-01 +TRP 631 CH2 420 LEU 568 CB 229 0.666E+00 0.298E-01 -0.110E-01 +TRP 631 CH2 420 LEU 568 CG 230 0.788E+00 -0.289E-01 -0.405E-02 +TRP 631 CH2 420 LEU 568 CD1 231 0.778E+00 0.189E-01 -0.435E-02 +TRP 631 CH2 420 LEU 568 CD2 232 0.848E+00 0.163E-01 -0.261E-02 +TRP 631 CH2 420 THR 569 N 234 0.630E+00 0.568E-01 -0.166E-01 +TRP 631 CH2 420 THR 569 CA 235 0.597E+00 0.702E-01 -0.207E-01 +TRP 631 CH2 420 THR 569 C 236 0.692E+00 -0.107E+00 -0.777E-02 +TRP 631 CH2 420 THR 569 O 237 0.671E+00 0.112E+00 -0.973E-02 +TRP 631 CH2 420 THR 569 CB 238 0.660E+00 -0.501E-01 -0.116E-01 +TRP 631 CH2 420 THR 569 OG1 239 0.797E+00 0.889E-01 -0.389E-02 +TRP 631 CH2 420 THR 569 CG2 240 0.610E+00 0.437E-01 -0.184E-01 +TRP 631 CH2 420 THR 569 HG1 242 0.814E+00 -0.576E-01 0.000E+00 +TRP 631 CH2 420 VAL 570 N 243 0.812E+00 0.642E-01 -0.367E-02 +TRP 631 CH2 420 VAL 570 CA 244 0.919E+00 0.605E-02 -0.161E-02 +TRP 631 CH2 420 VAL 570 C 245 0.898E+00 -0.539E-01 -0.164E-02 +TRP 631 CH2 420 VAL 570 O 246 0.943E+00 0.452E-01 -0.128E-02 +TRP 631 CH2 420 TRP 571 N 251 0.858E+00 0.557E-01 -0.266E-02 +TRP 631 CH2 420 TRP 571 CA 252 0.859E+00 0.259E-02 -0.241E-02 +TRP 631 CH2 420 TRP 571 C 253 0.770E+00 -0.917E-01 -0.412E-02 +TRP 631 CH2 420 TRP 571 O 254 0.832E+00 0.678E-01 -0.271E-02 +TRP 631 CH2 420 TRP 571 CB 255 0.840E+00 0.132E-01 -0.277E-02 +TRP 631 CH2 420 TRP 571 CG 256 0.864E+00 0.128E-01 -0.206E-02 +TRP 631 CH2 420 TRP 571 CD1 257 0.996E+00 0.179E-01 -0.880E-03 +TRP 631 CH2 420 TRP 571 CD2 258 0.788E+00 -0.135E-01 -0.358E-02 +TRP 631 CH2 420 TRP 571 NE1 259 0.101E+01 0.300E-01 -0.996E-03 +TRP 631 CH2 420 TRP 571 CE2 260 0.899E+00 -0.171E-01 -0.163E-02 +TRP 631 CH2 420 TRP 571 CE3 261 0.659E+00 0.325E-01 -0.103E-01 +TRP 631 CH2 420 TRP 571 CZ2 262 0.901E+00 0.253E-01 -0.161E-02 +TRP 631 CH2 420 TRP 571 CZ3 263 0.661E+00 0.344E-01 -0.101E-01 +TRP 631 CH2 420 TRP 571 CH2 264 0.791E+00 0.199E-01 -0.349E-02 +TRP 631 CH2 420 GLY 572 N 267 0.647E+00 0.820E-01 -0.142E-01 +TRP 631 CH2 420 GLY 572 CA 268 0.578E+00 0.359E-01 -0.251E-01 +TRP 631 CH2 420 GLY 572 C 269 0.679E+00 -0.116E+00 -0.869E-02 +TRP 631 CH2 420 GLY 572 O 270 0.734E+00 0.872E-01 -0.574E-02 +TRP 631 CH2 420 ILE 573 N 272 0.741E+00 0.760E-01 -0.638E-02 +TRP 631 CH2 420 ILE 573 CA 273 0.859E+00 0.132E-01 -0.241E-02 +TRP 631 CH2 420 ILE 573 C 274 0.971E+00 -0.608E-01 -0.103E-02 +TRP 631 CH2 420 ILE 573 O 275 0.104E+01 0.600E-01 -0.718E-03 +TRP 631 CH2 420 ILE 573 CB 276 0.930E+00 -0.708E-02 -0.150E-02 +TRP 631 CH2 420 ILE 573 CG1 277 0.859E+00 -0.285E-02 -0.241E-02 +TRP 631 CH2 420 ILE 573 CD1 279 0.947E+00 0.112E-01 -0.134E-02 +TRP 631 CH2 420 LYS 574 N 281 0.102E+01 0.436E-01 -0.968E-03 +TRP 631 CH2 420 GLN 575 N 294 0.103E+01 0.381E-01 -0.902E-03 +TRP 631 CH2 420 GLN 575 CA 295 0.104E+01 -0.359E-02 -0.786E-03 +TRP 631 CH2 420 GLN 575 CB 298 0.923E+00 0.370E-02 -0.157E-02 +TRP 631 CH2 420 GLN 575 CG 299 0.927E+00 0.230E-02 -0.153E-02 +TRP 631 CH2 420 LEU 576 N 306 0.988E+00 0.369E-01 -0.114E-02 +TRP 631 CH2 420 LEU 576 CA 307 0.104E+01 0.979E-02 -0.779E-03 +TRP 631 CH2 420 LEU 576 CB 310 0.953E+00 0.158E-01 -0.130E-02 +TRP 631 CH2 420 LEU 576 CG 311 0.816E+00 -0.272E-01 -0.327E-02 +TRP 631 CH2 420 LEU 576 CD1 312 0.766E+00 0.195E-01 -0.477E-02 +TRP 631 CH2 420 LEU 576 CD2 313 0.852E+00 0.162E-01 -0.253E-02 +TRP 631 HE1 422 GLN 562 O 161 0.102E+01 -0.135E+00 -0.218E-04 +TRP 631 HE1 422 GLN 563 C 172 0.103E+01 0.995E-01 -0.250E-04 +TRP 631 HE1 422 GLN 563 O 173 0.948E+00 -0.152E+00 -0.343E-04 +TRP 631 HE1 422 HIS 564 N 182 0.102E+01 -0.126E+00 -0.296E-04 +TRP 631 HE1 422 HIS 564 CA 183 0.916E+00 0.877E-02 -0.566E-04 +TRP 631 HE1 422 HIS 564 C 184 0.783E+00 0.244E+00 -0.129E-03 +TRP 631 HE1 422 HIS 564 O 185 0.683E+00 -0.252E+00 -0.245E-03 +TRP 631 HE1 422 HIS 564 CB 186 0.967E+00 -0.395E-01 -0.408E-04 +TRP 631 HE1 422 LEU 565 N 195 0.805E+00 -0.125E+00 -0.125E-03 +TRP 631 HE1 422 LEU 565 CA 196 0.715E+00 -0.440E-01 -0.250E-03 +TRP 631 HE1 422 LEU 565 C 197 0.667E+00 0.286E+00 -0.337E-03 +TRP 631 HE1 422 LEU 565 O 198 0.554E+00 -0.412E+00 -0.856E-03 +TRP 631 HE1 422 LEU 565 CB 199 0.808E+00 -0.502E-01 -0.120E-03 +TRP 631 HE1 422 LEU 565 CG 200 0.854E+00 0.609E-01 -0.862E-04 +TRP 631 HE1 422 LEU 565 CD1 201 0.912E+00 -0.351E-01 -0.582E-04 +TRP 631 HE1 422 LEU 565 CD2 202 0.759E+00 -0.479E-01 -0.175E-03 +TRP 631 HE1 422 LEU 566 N 204 0.770E+00 -0.135E+00 -0.163E-03 +TRP 631 HE1 422 LEU 566 CA 205 0.778E+00 -0.376E-01 -0.151E-03 +TRP 631 HE1 422 LEU 566 C 206 0.699E+00 0.260E+00 -0.253E-03 +TRP 631 HE1 422 LEU 566 O 207 0.651E+00 -0.293E+00 -0.327E-03 +TRP 631 HE1 422 LEU 566 CB 208 0.929E+00 -0.399E-01 -0.521E-04 +TRP 631 HE1 422 LEU 566 CG 209 0.103E+01 0.456E-01 -0.282E-04 +TRP 631 HE1 422 LEU 566 CD2 211 0.102E+01 -0.295E-01 -0.294E-04 +TRP 631 HE1 422 GLN 567 N 213 0.710E+00 -0.171E+00 -0.266E-03 +TRP 631 HE1 422 GLN 567 CA 214 0.675E+00 0.180E-01 -0.353E-03 +TRP 631 HE1 422 GLN 567 C 215 0.530E+00 0.343E+00 -0.133E-02 +TRP 631 HE1 422 GLN 567 O 216 0.504E+00 -0.519E+00 -0.151E-02 +TRP 631 HE1 422 GLN 567 CB 217 0.758E+00 -0.125E-01 -0.177E-03 +TRP 631 HE1 422 GLN 567 CG 218 0.907E+00 -0.575E-02 -0.600E-04 +TRP 631 HE1 422 GLN 567 CD 219 0.968E+00 0.174E+00 -0.361E-04 +TRP 631 HE1 422 GLN 567 OE1 220 0.914E+00 -0.178E+00 -0.426E-04 +TRP 631 HE1 422 LEU 568 N 225 0.457E+00 -0.413E+00 -0.368E-02 +TRP 631 HE1 422 LEU 568 CA 226 0.323E+00 -0.295E+00 -0.264E-01 +TRP 631 HE1 422 LEU 568 C 227 0.245E+00 0.371E+01 -0.583E-01 +TRP 631 HE1 422 LEU 568 O 228 0.189E+00 -0.776E+01 0.241E+00 +TRP 631 HE1 422 LEU 568 CB 229 0.336E+00 -0.377E+00 -0.214E-01 +TRP 631 HE1 422 LEU 568 CG 230 0.472E+00 0.207E+00 -0.301E-02 +TRP 631 HE1 422 LEU 568 CD1 231 0.534E+00 -0.988E-01 -0.143E-02 +TRP 631 HE1 422 LEU 568 CD2 232 0.499E+00 -0.116E+00 -0.214E-02 +TRP 631 HE1 422 THR 569 N 234 0.325E+00 -0.701E+00 -0.263E-01 +TRP 631 HE1 422 THR 569 CA 235 0.363E+00 -0.572E+00 -0.137E-01 +TRP 631 HE1 422 THR 569 C 236 0.429E+00 0.765E+00 -0.467E-02 +TRP 631 HE1 422 THR 569 O 237 0.451E+00 -0.666E+00 -0.294E-02 +TRP 631 HE1 422 THR 569 CB 238 0.500E+00 0.223E+00 -0.213E-02 +TRP 631 HE1 422 THR 569 OG1 239 0.592E+00 -0.385E+00 -0.677E-03 +TRP 631 HE1 422 THR 569 CG2 240 0.515E+00 -0.154E+00 -0.178E-02 +TRP 631 HE1 422 THR 569 HG1 242 0.576E+00 0.275E+00 0.000E+00 +TRP 631 HE1 422 VAL 570 N 243 0.504E+00 -0.414E+00 -0.206E-02 +TRP 631 HE1 422 VAL 570 CA 244 0.606E+00 -0.316E-01 -0.672E-03 +TRP 631 HE1 422 VAL 570 C 245 0.570E+00 0.311E+00 -0.863E-03 +TRP 631 HE1 422 VAL 570 O 246 0.645E+00 -0.217E+00 -0.346E-03 +TRP 631 HE1 422 VAL 570 CB 247 0.714E+00 0.173E+00 -0.254E-03 +TRP 631 HE1 422 VAL 570 CG1 248 0.829E+00 -0.300E-01 -0.103E-03 +TRP 631 HE1 422 VAL 570 CG2 249 0.788E+00 -0.328E-01 -0.140E-03 +TRP 631 HE1 422 TRP 571 N 251 0.491E+00 -0.419E+00 -0.242E-02 +TRP 631 HE1 422 TRP 571 CA 252 0.496E+00 -0.191E-01 -0.223E-02 +TRP 631 HE1 422 TRP 571 C 253 0.463E+00 0.660E+00 -0.299E-02 +TRP 631 HE1 422 TRP 571 O 254 0.561E+00 -0.356E+00 -0.795E-03 +TRP 631 HE1 422 TRP 571 CB 255 0.450E+00 -0.119E+00 -0.399E-02 +TRP 631 HE1 422 TRP 571 CG 256 0.509E+00 -0.900E-01 -0.170E-02 +TRP 631 HE1 422 TRP 571 CD1 257 0.642E+00 -0.938E-01 -0.423E-03 +TRP 631 HE1 422 TRP 571 CD2 258 0.482E+00 0.919E-01 -0.233E-02 +TRP 631 HE1 422 TRP 571 NE1 259 0.692E+00 -0.138E+00 -0.309E-03 +TRP 631 HE1 422 TRP 571 CE2 260 0.615E+00 0.836E-01 -0.545E-03 +TRP 631 HE1 422 TRP 571 CE3 261 0.404E+00 -0.245E+00 -0.663E-02 +TRP 631 HE1 422 TRP 571 CZ2 262 0.675E+00 -0.103E+00 -0.313E-03 +TRP 631 HE1 422 TRP 571 CZ3 263 0.490E+00 -0.161E+00 -0.213E-02 +TRP 631 HE1 422 TRP 571 CH2 264 0.621E+00 -0.768E-01 -0.515E-03 +TRP 631 HE1 422 TRP 571 HE1 266 0.789E+00 0.117E+00 -0.629E-06 +TRP 631 HE1 422 GLY 572 N 267 0.369E+00 -0.760E+00 -0.130E-01 +TRP 631 HE1 422 GLY 572 CA 268 0.403E+00 -0.207E+00 -0.763E-02 +TRP 631 HE1 422 GLY 572 C 269 0.544E+00 0.448E+00 -0.114E-02 +TRP 631 HE1 422 GLY 572 O 270 0.639E+00 -0.277E+00 -0.365E-03 +TRP 631 HE1 422 ILE 573 N 272 0.584E+00 -0.297E+00 -0.856E-03 +TRP 631 HE1 422 ILE 573 CA 273 0.727E+00 -0.430E-01 -0.226E-03 +TRP 631 HE1 422 ILE 573 C 274 0.814E+00 0.196E+00 -0.102E-03 +TRP 631 HE1 422 ILE 573 O 275 0.914E+00 -0.176E+00 -0.426E-04 +TRP 631 HE1 422 ILE 573 CB 276 0.779E+00 0.230E-01 -0.150E-03 +TRP 631 HE1 422 ILE 573 CG1 277 0.745E+00 0.888E-02 -0.196E-03 +TRP 631 HE1 422 ILE 573 CG2 278 0.932E+00 -0.358E-01 -0.510E-04 +TRP 631 HE1 422 ILE 573 CD1 279 0.810E+00 -0.351E-01 -0.119E-03 +TRP 631 HE1 422 LYS 574 N 281 0.805E+00 -0.153E+00 -0.125E-03 +TRP 631 HE1 422 LYS 574 CA 282 0.915E+00 -0.111E-01 -0.571E-04 +TRP 631 HE1 422 LYS 574 C 283 0.934E+00 0.199E+00 -0.448E-04 +TRP 631 HE1 422 LYS 574 O 284 0.105E+01 -0.130E+00 -0.187E-04 +TRP 631 HE1 422 LYS 574 CB 285 0.919E+00 -0.304E-01 -0.557E-04 +TRP 631 HE1 422 LYS 574 CG 286 0.948E+00 0.886E-02 -0.462E-04 +TRP 631 HE1 422 LYS 574 CD 287 0.100E+01 -0.118E-01 -0.328E-04 +TRP 631 HE1 422 GLN 575 N 294 0.838E+00 -0.127E+00 -0.981E-04 +TRP 631 HE1 422 GLN 575 CA 295 0.882E+00 0.111E-01 -0.709E-04 +TRP 631 HE1 422 GLN 575 C 296 0.963E+00 0.110E+00 -0.373E-04 +TRP 631 HE1 422 GLN 575 CB 298 0.784E+00 -0.118E-01 -0.144E-03 +TRP 631 HE1 422 GLN 575 CG 299 0.739E+00 -0.818E-02 -0.205E-03 +TRP 631 HE1 422 GLN 575 CD 300 0.866E+00 0.207E+00 -0.702E-04 +TRP 631 HE1 422 GLN 575 OE1 301 0.950E+00 -0.168E+00 -0.340E-04 +TRP 631 HE1 422 GLN 575 NE2 302 0.901E+00 -0.257E+00 -0.636E-04 +TRP 631 HE1 422 LEU 576 N 306 0.919E+00 -0.999E-01 -0.563E-04 +TRP 631 HE1 422 LEU 576 CA 307 0.102E+01 -0.243E-01 -0.299E-04 +TRP 631 HE1 422 LEU 576 CB 310 0.977E+00 -0.369E-01 -0.385E-04 +TRP 631 HE1 422 LEU 576 CG 311 0.878E+00 0.582E-01 -0.732E-04 +TRP 631 HE1 422 LEU 576 CD1 312 0.878E+00 -0.373E-01 -0.730E-04 +TRP 631 HE1 422 LEU 576 CD2 313 0.943E+00 -0.333E-01 -0.475E-04 +ASP 632 N 423 LEU 565 O 198 0.103E+01 0.230E+00 -0.926E-03 +ASP 632 N 423 LEU 565 CD2 202 0.918E+00 0.601E-01 -0.199E-02 +ASP 632 N 423 LEU 568 N 225 0.978E+00 0.157E+00 -0.148E-02 +ASP 632 N 423 LEU 568 CA 226 0.846E+00 0.565E-01 -0.326E-02 +ASP 632 N 423 LEU 568 C 227 0.856E+00 -0.314E+00 -0.269E-02 +ASP 632 N 423 LEU 568 O 228 0.829E+00 0.323E+00 -0.338E-02 +ASP 632 N 423 LEU 568 CB 229 0.747E+00 0.100E+00 -0.682E-02 +ASP 632 N 423 LEU 568 CG 230 0.772E+00 -0.126E+00 -0.560E-02 +ASP 632 N 423 LEU 568 CD1 231 0.704E+00 0.958E-01 -0.976E-02 +ASP 632 N 423 LEU 568 CD2 232 0.771E+00 0.807E-01 -0.565E-02 +ASP 632 N 423 THR 569 N 234 0.930E+00 0.117E+00 -0.200E-02 +ASP 632 N 423 THR 569 CA 235 0.982E+00 0.119E+00 -0.133E-02 +ASP 632 N 423 THR 569 CG2 240 0.102E+01 0.734E-01 -0.107E-02 +ASP 632 N 423 TRP 571 C 253 0.101E+01 -0.245E+00 -0.972E-03 +ASP 632 N 423 TRP 571 CB 255 0.964E+00 0.444E-01 -0.149E-02 +ASP 632 N 423 TRP 571 CG 256 0.930E+00 0.479E-01 -0.163E-02 +ASP 632 N 423 TRP 571 CD1 257 0.102E+01 0.721E-01 -0.920E-03 +ASP 632 N 423 TRP 571 CD2 258 0.835E+00 -0.514E-01 -0.312E-02 +ASP 632 N 423 TRP 571 NE1 259 0.997E+00 0.128E+00 -0.132E-02 +ASP 632 N 423 TRP 571 CE2 260 0.889E+00 -0.730E-01 -0.214E-02 +ASP 632 N 423 TRP 571 CE3 261 0.732E+00 0.111E+00 -0.684E-02 +ASP 632 N 423 TRP 571 CZ2 262 0.852E+00 0.117E+00 -0.277E-02 +ASP 632 N 423 TRP 571 CZ3 263 0.687E+00 0.134E+00 -0.100E-01 +ASP 632 N 423 TRP 571 CH2 264 0.752E+00 0.913E-01 -0.580E-02 +ASP 632 N 423 GLY 572 N 267 0.944E+00 0.175E+00 -0.183E-02 +ASP 632 N 423 GLY 572 CA 268 0.920E+00 0.629E-01 -0.197E-02 +ASP 632 CA 424 LEU 565 CG 200 0.105E+01 0.968E-03 -0.838E-03 +ASP 632 CA 424 LEU 565 CD2 202 0.894E+00 -0.786E-03 -0.214E-02 +ASP 632 CA 424 LEU 568 N 225 0.105E+01 -0.179E-02 -0.908E-03 +ASP 632 CA 424 LEU 568 CA 226 0.920E+00 -0.617E-03 -0.180E-02 +ASP 632 CA 424 LEU 568 C 227 0.926E+00 0.346E-02 -0.154E-02 +ASP 632 CA 424 LEU 568 O 228 0.910E+00 -0.347E-02 -0.178E-02 +ASP 632 CA 424 LEU 568 CB 229 0.810E+00 -0.109E-02 -0.387E-02 +ASP 632 CA 424 LEU 568 CG 230 0.835E+00 0.137E-02 -0.321E-02 +ASP 632 CA 424 LEU 568 CD1 231 0.749E+00 -0.107E-02 -0.618E-02 +ASP 632 CA 424 LEU 568 CD2 232 0.856E+00 -0.846E-03 -0.279E-02 +ASP 632 CA 424 THR 569 N 234 0.985E+00 -0.135E-02 -0.131E-02 +ASP 632 CA 424 THR 569 CA 235 0.103E+01 -0.140E-02 -0.914E-03 +ASP 632 CA 424 THR 569 CG2 240 0.103E+01 -0.903E-03 -0.899E-03 +ASP 632 CA 424 TRP 571 CD2 258 0.963E+00 0.512E-03 -0.122E-02 +ASP 632 CA 424 TRP 571 CE2 260 0.102E+01 0.738E-03 -0.841E-03 +ASP 632 CA 424 TRP 571 CE3 261 0.854E+00 -0.106E-02 -0.250E-02 +ASP 632 CA 424 TRP 571 CZ2 262 0.988E+00 -0.116E-02 -0.104E-02 +ASP 632 CA 424 TRP 571 CZ3 263 0.811E+00 -0.123E-02 -0.339E-02 +ASP 632 CA 424 TRP 571 CH2 264 0.884E+00 -0.866E-03 -0.203E-02 +ASP 632 CA 424 GLY 572 N 267 0.104E+01 -0.191E-02 -0.959E-03 +ASP 632 CA 424 GLY 572 CA 268 0.101E+01 -0.689E-03 -0.106E-02 +ASP 632 C 425 LEU 565 CA 196 0.105E+01 -0.322E-01 -0.737E-03 +ASP 632 C 425 LEU 565 CG 200 0.100E+01 0.651E-01 -0.955E-03 +ASP 632 C 425 LEU 565 CD2 202 0.850E+00 -0.541E-01 -0.256E-02 +ASP 632 C 425 LEU 568 CA 226 0.954E+00 -0.369E-01 -0.129E-02 +ASP 632 C 425 LEU 568 C 227 0.979E+00 0.201E+00 -0.975E-03 +ASP 632 C 425 LEU 568 O 228 0.980E+00 -0.196E+00 -0.102E-02 +ASP 632 C 425 LEU 568 CB 229 0.828E+00 -0.662E-01 -0.300E-02 +ASP 632 C 425 LEU 568 CG 230 0.829E+00 0.881E-01 -0.299E-02 +ASP 632 C 425 LEU 568 CD1 231 0.721E+00 -0.726E-01 -0.685E-02 +ASP 632 C 425 LEU 568 CD2 232 0.854E+00 -0.537E-01 -0.250E-02 +ASP 632 C 425 THR 569 N 234 0.104E+01 -0.793E-01 -0.859E-03 +ASP 632 C 425 TRP 571 CE3 261 0.957E+00 -0.560E-01 -0.112E-02 +ASP 632 C 425 TRP 571 CZ3 263 0.925E+00 -0.629E-01 -0.137E-02 +ASP 632 C 425 TRP 571 CH2 264 0.995E+00 -0.456E-01 -0.888E-03 +ASP 632 O 426 LEU 565 CA 196 0.100E+01 0.388E-01 -0.101E-02 +ASP 632 O 426 LEU 565 O 198 0.104E+01 0.203E+00 -0.720E-03 +ASP 632 O 426 LEU 565 CB 199 0.102E+01 0.541E-01 -0.920E-03 +ASP 632 O 426 LEU 565 CG 200 0.929E+00 -0.828E-01 -0.158E-02 +ASP 632 O 426 LEU 565 CD1 201 0.973E+00 0.494E-01 -0.120E-02 +ASP 632 O 426 LEU 565 CD2 202 0.778E+00 0.713E-01 -0.455E-02 +ASP 632 O 426 LEU 568 CA 226 0.967E+00 0.409E-01 -0.124E-02 +ASP 632 O 426 LEU 568 C 227 0.993E+00 -0.223E+00 -0.939E-03 +ASP 632 O 426 LEU 568 O 228 0.101E+01 0.213E+00 -0.881E-03 +ASP 632 O 426 LEU 568 CB 229 0.833E+00 0.741E-01 -0.303E-02 +ASP 632 O 426 LEU 568 CG 230 0.832E+00 -0.990E-01 -0.305E-02 +ASP 632 O 426 LEU 568 CD1 231 0.713E+00 0.839E-01 -0.771E-02 +ASP 632 O 426 LEU 568 CD2 232 0.877E+00 0.581E-01 -0.224E-02 +ASP 632 O 426 THR 569 N 234 0.104E+01 0.897E-01 -0.889E-03 +ASP 632 O 426 TRP 571 CE3 261 0.103E+01 0.566E-01 -0.745E-03 +ASP 632 O 426 TRP 571 CZ3 263 0.101E+01 0.622E-01 -0.844E-03 +ASP 632 CB 427 LEU 565 CD2 202 0.103E+01 0.436E-02 -0.929E-03 +ASP 632 CB 427 LEU 568 O 228 0.103E+01 0.198E-01 -0.859E-03 +ASP 632 CB 427 LEU 568 CB 229 0.950E+00 0.574E-02 -0.149E-02 +ASP 632 CB 427 LEU 568 CG 230 0.979E+00 -0.731E-02 -0.124E-02 +ASP 632 CB 427 LEU 568 CD1 231 0.895E+00 0.539E-02 -0.214E-02 +ASP 632 CB 427 LEU 568 CD2 232 0.994E+00 0.458E-02 -0.113E-02 +ASP 632 CB 427 TRP 571 CD2 258 0.105E+01 -0.311E-02 -0.742E-03 +ASP 632 CB 427 TRP 571 CE3 261 0.932E+00 0.632E-02 -0.148E-02 +ASP 632 CB 427 TRP 571 CZ2 262 0.104E+01 0.731E-02 -0.750E-03 +ASP 632 CB 427 TRP 571 CZ3 263 0.870E+00 0.752E-02 -0.223E-02 +ASP 632 CB 427 TRP 571 CH2 264 0.932E+00 0.546E-02 -0.148E-02 +ASP 632 CG 428 LEU 568 CB 229 0.100E+01 -0.825E-01 -0.972E-03 +ASP 632 CG 428 LEU 568 CG 230 0.105E+01 0.103E+00 -0.736E-03 +ASP 632 CG 428 LEU 568 CD1 231 0.967E+00 -0.741E-01 -0.119E-02 +ASP 632 CG 428 TRP 571 CE3 261 0.970E+00 -0.923E-01 -0.103E-02 +ASP 632 CG 428 TRP 571 CZ3 263 0.907E+00 -0.109E+00 -0.155E-02 +ASP 632 CG 428 TRP 571 CH2 264 0.978E+00 -0.787E-01 -0.981E-03 +ASP 632 OD1 429 LEU 565 CD2 202 0.101E+01 0.683E-01 -0.976E-03 +ASP 632 OD1 429 LEU 568 CB 229 0.102E+01 0.787E-01 -0.914E-03 +ASP 632 OD1 429 LEU 568 CD1 231 0.976E+00 0.716E-01 -0.118E-02 +ASP 632 OD1 429 TRP 571 CZ3 263 0.998E+00 0.923E-01 -0.912E-03 +ASP 632 OD2 430 LEU 568 CB 229 0.104E+01 0.762E-01 -0.796E-03 +ASP 632 OD2 430 LEU 568 CD1 231 0.103E+01 0.658E-01 -0.835E-03 +ASP 632 OD2 430 TRP 571 CE3 261 0.937E+00 0.954E-01 -0.133E-02 +ASP 632 OD2 430 TRP 571 CZ3 263 0.861E+00 0.116E+00 -0.221E-02 +ASP 632 OD2 430 TRP 571 CH2 264 0.927E+00 0.837E-01 -0.142E-02 +ASP 632 OD2 430 GLY 572 CA 268 0.103E+01 0.689E-01 -0.831E-03 +ARG 633 N 432 LEU 565 CD2 202 0.923E+00 0.322E-01 -0.194E-02 +ARG 633 N 432 LEU 568 CA 226 0.999E+00 0.234E-01 -0.120E-02 +ARG 633 N 432 LEU 568 C 227 0.104E+01 -0.125E+00 -0.841E-03 +ARG 633 N 432 LEU 568 O 228 0.104E+01 0.122E+00 -0.880E-03 +ARG 633 N 432 LEU 568 CB 229 0.875E+00 0.410E-01 -0.266E-02 +ARG 633 N 432 LEU 568 CG 230 0.857E+00 -0.566E-01 -0.302E-02 +ARG 633 N 432 LEU 568 CD1 231 0.748E+00 0.460E-01 -0.675E-02 +ARG 633 N 432 LEU 568 CD2 232 0.862E+00 0.359E-01 -0.290E-02 +ARG 633 N 432 TRP 571 CE3 261 0.985E+00 0.365E-01 -0.116E-02 +ARG 633 N 432 TRP 571 CZ3 263 0.948E+00 0.411E-01 -0.145E-02 +ARG 633 N 432 TRP 571 CH2 264 0.100E+01 0.307E-01 -0.104E-02 +ARG 633 CA 433 LEU 565 CD2 202 0.930E+00 0.138E-01 -0.169E-02 +ARG 633 CA 433 LEU 568 CB 229 0.934E+00 0.161E-01 -0.165E-02 +ARG 633 CA 433 LEU 568 CG 230 0.895E+00 -0.229E-01 -0.213E-02 +ARG 633 CA 433 LEU 568 CD1 231 0.773E+00 0.189E-01 -0.509E-02 +ARG 633 CA 433 LEU 568 CD2 232 0.902E+00 0.145E-01 -0.203E-02 +ARG 633 C 434 HIS 564 C 184 0.103E+01 0.357E+00 -0.734E-03 +ARG 633 C 434 HIS 564 O 185 0.100E+01 -0.295E+00 -0.882E-03 +ARG 633 C 434 HIS 564 CB 186 0.102E+01 -0.831E-01 -0.874E-03 +ARG 633 C 434 HIS 564 HD1 193 0.103E+01 0.864E-01 -0.253E-04 +ARG 633 C 434 LEU 565 N 195 0.102E+01 -0.193E+00 -0.920E-03 +ARG 633 C 434 LEU 565 CA 196 0.997E+00 -0.569E-01 -0.990E-03 +ARG 633 C 434 LEU 565 CB 199 0.103E+01 -0.769E-01 -0.791E-03 +ARG 633 C 434 LEU 565 CG 200 0.955E+00 0.116E+00 -0.128E-02 +ARG 633 C 434 LEU 565 CD1 201 0.104E+01 -0.654E-01 -0.776E-03 +ARG 633 C 434 LEU 565 CD2 202 0.811E+00 -0.967E-01 -0.341E-02 +ARG 633 C 434 LEU 568 CA 226 0.971E+00 -0.593E-01 -0.116E-02 +ARG 633 C 434 LEU 568 C 227 0.104E+01 0.304E+00 -0.684E-03 +ARG 633 C 434 LEU 568 CB 229 0.833E+00 -0.108E+00 -0.291E-02 +ARG 633 C 434 LEU 568 CG 230 0.778E+00 0.162E+00 -0.435E-02 +ARG 633 C 434 LEU 568 CD1 231 0.648E+00 -0.147E+00 -0.128E-01 +ARG 633 C 434 LEU 568 CD2 232 0.792E+00 -0.101E+00 -0.392E-02 +ARG 633 O 435 HIS 564 C 184 0.101E+01 -0.289E+00 -0.844E-03 +ARG 633 O 435 HIS 564 O 185 0.100E+01 0.234E+00 -0.904E-03 +ARG 633 O 435 HIS 564 CB 186 0.988E+00 0.688E-01 -0.109E-02 +ARG 633 O 435 HIS 564 HD1 193 0.982E+00 -0.731E-01 -0.278E-04 +ARG 633 O 435 LEU 565 N 195 0.997E+00 0.158E+00 -0.112E-02 +ARG 633 O 435 LEU 565 CA 196 0.974E+00 0.466E-01 -0.119E-02 +ARG 633 O 435 LEU 565 CB 199 0.999E+00 0.641E-01 -0.103E-02 +ARG 633 O 435 LEU 565 CG 200 0.906E+00 -0.993E-01 -0.184E-02 +ARG 633 O 435 LEU 565 CD1 201 0.986E+00 0.558E-01 -0.110E-02 +ARG 633 O 435 LEU 565 CD2 202 0.768E+00 0.843E-01 -0.494E-02 +ARG 633 O 435 LEU 568 CA 226 0.101E+01 0.442E-01 -0.953E-03 +ARG 633 O 435 LEU 568 CB 229 0.866E+00 0.801E-01 -0.240E-02 +ARG 633 O 435 LEU 568 CG 230 0.804E+00 -0.121E+00 -0.374E-02 +ARG 633 O 435 LEU 568 CD1 231 0.664E+00 0.111E+00 -0.118E-01 +ARG 633 O 435 LEU 568 CD2 232 0.834E+00 0.729E-01 -0.302E-02 +ARG 633 CB 436 LEU 568 CB 229 0.103E+01 0.394E-02 -0.938E-03 +ARG 633 CB 436 LEU 568 CG 230 0.975E+00 -0.568E-02 -0.128E-02 +ARG 633 CB 436 LEU 568 CD1 231 0.859E+00 0.444E-02 -0.272E-02 +ARG 633 CB 436 LEU 568 CD2 232 0.961E+00 0.371E-02 -0.139E-02 +ARG 633 CG 437 LEU 568 CD1 231 0.100E+01 -0.113E-02 -0.108E-02 +GLU 634 N 449 HIS 564 CA 183 0.101E+01 -0.991E-02 -0.111E-02 +GLU 634 N 449 HIS 564 C 184 0.938E+00 -0.237E+00 -0.155E-02 +GLU 634 N 449 HIS 564 O 185 0.905E+00 0.201E+00 -0.200E-02 +GLU 634 N 449 HIS 564 CB 186 0.936E+00 0.546E-01 -0.178E-02 +GLU 634 N 449 HIS 564 CG 187 0.102E+01 -0.874E-01 -0.922E-03 +GLU 634 N 449 HIS 564 ND1 188 0.102E+01 0.133E+00 -0.113E-02 +GLU 634 N 449 HIS 564 HD1 193 0.961E+00 -0.552E-01 -0.432E-04 +GLU 634 N 449 LEU 565 N 195 0.948E+00 0.125E+00 -0.179E-02 +GLU 634 N 449 LEU 565 CA 196 0.925E+00 0.370E-01 -0.190E-02 +GLU 634 N 449 LEU 565 C 197 0.102E+01 -0.181E+00 -0.945E-03 +GLU 634 N 449 LEU 565 O 198 0.994E+00 0.183E+00 -0.114E-02 +GLU 634 N 449 LEU 565 CB 199 0.981E+00 0.482E-01 -0.134E-02 +GLU 634 N 449 LEU 565 CG 200 0.918E+00 -0.712E-01 -0.200E-02 +GLU 634 N 449 LEU 565 CD1 201 0.101E+01 0.393E-01 -0.111E-02 +GLU 634 N 449 LEU 565 CD2 202 0.774E+00 0.608E-01 -0.554E-02 +GLU 634 N 449 LEU 568 N 225 0.953E+00 0.124E+00 -0.174E-02 +GLU 634 N 449 LEU 568 CA 226 0.859E+00 0.416E-01 -0.296E-02 +GLU 634 N 449 LEU 568 C 227 0.935E+00 -0.206E+00 -0.159E-02 +GLU 634 N 449 LEU 568 O 228 0.957E+00 0.194E+00 -0.143E-02 +GLU 634 N 449 LEU 568 CB 229 0.726E+00 0.800E-01 -0.808E-02 +GLU 634 N 449 LEU 568 CG 230 0.667E+00 -0.126E+00 -0.134E-01 +GLU 634 N 449 LEU 568 CD1 231 0.546E+00 0.123E+00 -0.427E-01 +GLU 634 N 449 LEU 568 CD2 232 0.668E+00 0.805E-01 -0.133E-01 +GLU 634 N 449 THR 569 N 234 0.101E+01 0.789E-01 -0.125E-02 +GLU 634 N 449 TRP 571 CD2 258 0.103E+01 -0.280E-01 -0.880E-03 +GLU 634 N 449 TRP 571 CE3 261 0.972E+00 0.523E-01 -0.126E-02 +GLU 634 N 449 TRP 571 CZ3 263 0.971E+00 0.558E-01 -0.127E-02 +GLU 634 N 449 TRP 571 CH2 264 0.103E+01 0.416E-01 -0.898E-03 +GLU 634 CA 450 ALA 561 O 155 0.950E+00 -0.147E-01 -0.138E-02 +GLU 634 CA 450 HIS 564 N 182 0.100E+01 -0.129E-01 -0.118E-02 +GLU 634 CA 450 HIS 564 CA 183 0.874E+00 0.940E-03 -0.245E-02 +GLU 634 CA 450 HIS 564 C 184 0.808E+00 0.229E-01 -0.346E-02 +GLU 634 CA 450 HIS 564 O 185 0.781E+00 -0.195E-01 -0.446E-02 +GLU 634 CA 450 HIS 564 CB 186 0.794E+00 -0.543E-02 -0.435E-02 +GLU 634 CA 450 HIS 564 CG 187 0.880E+00 0.834E-02 -0.209E-02 +GLU 634 CA 450 HIS 564 ND1 188 0.880E+00 -0.127E-01 -0.257E-02 +GLU 634 CA 450 HIS 564 CD2 189 0.997E+00 -0.737E-02 -0.990E-03 +GLU 634 CA 450 HIS 564 CE1 190 0.987E+00 0.652E-03 -0.105E-02 +GLU 634 CA 450 HIS 564 HD1 193 0.819E+00 0.542E-02 -0.111E-03 +GLU 634 CA 450 LEU 565 N 195 0.822E+00 -0.119E-01 -0.386E-02 +GLU 634 CA 450 LEU 565 CA 196 0.813E+00 -0.347E-02 -0.379E-02 +GLU 634 CA 450 LEU 565 C 197 0.914E+00 0.162E-01 -0.167E-02 +GLU 634 CA 450 LEU 565 O 198 0.900E+00 -0.161E-01 -0.191E-02 +GLU 634 CA 450 LEU 565 CB 199 0.874E+00 -0.437E-02 -0.245E-02 +GLU 634 CA 450 LEU 565 CG 200 0.818E+00 0.651E-02 -0.363E-02 +GLU 634 CA 450 LEU 565 CD1 201 0.927E+00 -0.339E-02 -0.172E-02 +GLU 634 CA 450 LEU 565 CD2 202 0.682E+00 -0.583E-02 -0.107E-01 +GLU 634 CA 450 LEU 566 N 204 0.103E+01 -0.834E-02 -0.989E-03 +GLU 634 CA 450 GLN 567 C 215 0.973E+00 0.107E-01 -0.115E-02 +GLU 634 CA 450 GLN 567 O 216 0.103E+01 -0.134E-01 -0.873E-03 +GLU 634 CA 450 GLN 567 CB 217 0.103E+01 -0.750E-03 -0.896E-03 +GLU 634 CA 450 LEU 568 N 225 0.859E+00 -0.111E-01 -0.297E-02 +GLU 634 CA 450 LEU 568 CA 226 0.781E+00 -0.371E-02 -0.479E-02 +GLU 634 CA 450 LEU 568 C 227 0.872E+00 0.174E-01 -0.220E-02 +GLU 634 CA 450 LEU 568 O 228 0.909E+00 -0.159E-01 -0.180E-02 +GLU 634 CA 450 LEU 568 CB 229 0.645E+00 -0.765E-02 -0.150E-01 +GLU 634 CA 450 LEU 568 CG 230 0.564E+00 0.136E-01 -0.324E-01 +GLU 634 CA 450 LEU 568 CD1 231 0.437E+00 -0.160E-01 -0.123E+00 +GLU 634 CA 450 LEU 568 CD2 232 0.572E+00 -0.844E-02 -0.300E-01 +GLU 634 CA 450 THR 569 N 234 0.941E+00 -0.661E-02 -0.172E-02 +GLU 634 CA 450 TRP 571 CB 255 0.104E+01 -0.226E-02 -0.843E-03 +GLU 634 CA 450 TRP 571 CD2 258 0.102E+01 0.214E-02 -0.852E-03 +GLU 634 CA 450 TRP 571 CE3 261 0.975E+00 -0.393E-02 -0.113E-02 +GLU 634 CA 450 TRP 571 CZ3 263 0.994E+00 -0.407E-02 -0.101E-02 +GLU 634 C 451 ALA 561 CA 153 0.995E+00 -0.102E-01 -0.998E-03 +GLU 634 C 451 ALA 561 C 154 0.953E+00 0.221E+00 -0.115E-02 +GLU 634 C 451 ALA 561 O 155 0.848E+00 -0.260E+00 -0.241E-02 +GLU 634 C 451 ALA 561 CB 156 0.101E+01 -0.818E-01 -0.912E-03 +GLU 634 C 451 GLN 562 O 161 0.102E+01 -0.198E+00 -0.799E-03 +GLU 634 C 451 GLN 563 C 172 0.102E+01 0.147E+00 -0.767E-03 +GLU 634 C 451 GLN 563 O 173 0.102E+01 -0.198E+00 -0.799E-03 +GLU 634 C 451 HIS 564 N 182 0.926E+00 -0.214E+00 -0.168E-02 +GLU 634 C 451 HIS 564 CA 183 0.807E+00 0.158E-01 -0.349E-02 +GLU 634 C 451 HIS 564 C 184 0.728E+00 0.407E+00 -0.574E-02 +GLU 634 C 451 HIS 564 O 185 0.711E+00 -0.340E+00 -0.694E-02 +GLU 634 C 451 HIS 564 CB 186 0.735E+00 -0.918E-01 -0.611E-02 +GLU 634 C 451 HIS 564 CG 187 0.838E+00 0.133E+00 -0.247E-02 +GLU 634 C 451 HIS 564 ND1 188 0.849E+00 -0.198E+00 -0.283E-02 +GLU 634 C 451 HIS 564 CD2 189 0.962E+00 -0.114E+00 -0.109E-02 +GLU 634 C 451 HIS 564 CE1 190 0.966E+00 0.989E-02 -0.106E-02 +GLU 634 C 451 HIS 564 NE2 191 0.103E+01 -0.341E-01 -0.905E-03 +GLU 634 C 451 HIS 564 HD1 193 0.788E+00 0.851E-01 -0.124E-03 +GLU 634 C 451 LEU 565 N 195 0.721E+00 -0.222E+00 -0.747E-02 +GLU 634 C 451 LEU 565 CA 196 0.698E+00 -0.673E-01 -0.831E-02 +GLU 634 C 451 LEU 565 C 197 0.805E+00 0.294E+00 -0.315E-02 +GLU 634 C 451 LEU 565 O 198 0.795E+00 -0.292E+00 -0.356E-02 +GLU 634 C 451 LEU 565 CB 199 0.744E+00 -0.850E-01 -0.569E-02 +GLU 634 C 451 LEU 565 CG 200 0.678E+00 0.135E+00 -0.985E-02 +GLU 634 C 451 LEU 565 CD1 201 0.781E+00 -0.665E-01 -0.427E-02 +GLU 634 C 451 LEU 565 CD2 202 0.538E+00 -0.142E+00 -0.374E-01 +GLU 634 C 451 LEU 566 N 204 0.927E+00 -0.144E+00 -0.167E-02 +GLU 634 C 451 LEU 566 CA 205 0.104E+01 -0.344E-01 -0.763E-03 +GLU 634 C 451 LEU 566 C 206 0.103E+01 0.198E+00 -0.710E-03 +GLU 634 C 451 GLN 567 N 213 0.991E+00 -0.142E+00 -0.112E-02 +GLU 634 C 451 GLN 567 CA 214 0.100E+01 0.133E-01 -0.944E-03 +GLU 634 C 451 GLN 567 C 215 0.924E+00 0.171E+00 -0.139E-02 +GLU 634 C 451 GLN 567 O 216 0.986E+00 -0.208E+00 -0.978E-03 +GLU 634 C 451 GLN 567 CB 217 0.995E+00 -0.117E-01 -0.100E-02 +GLU 634 C 451 LEU 568 N 225 0.800E+00 -0.184E+00 -0.402E-02 +GLU 634 C 451 LEU 568 CA 226 0.729E+00 -0.619E-01 -0.639E-02 +GLU 634 C 451 LEU 568 C 227 0.812E+00 0.289E+00 -0.299E-02 +GLU 634 C 451 LEU 568 O 228 0.863E+00 -0.254E+00 -0.218E-02 +GLU 634 C 451 LEU 568 CB 229 0.582E+00 -0.139E+00 -0.239E-01 +GLU 634 C 451 LEU 568 CG 230 0.514E+00 0.246E+00 -0.483E-01 +GLU 634 C 451 LEU 568 CD1 231 0.370E+00 -0.361E+00 -0.151E+00 +GLU 634 C 451 LEU 568 CD2 232 0.562E+00 -0.129E+00 -0.294E-01 +GLU 634 C 451 THR 569 N 234 0.862E+00 -0.112E+00 -0.258E-02 +GLU 634 C 451 THR 569 CA 235 0.969E+00 -0.103E+00 -0.117E-02 +GLU 634 C 451 THR 569 CB 238 0.103E+01 0.828E-01 -0.833E-03 +GLU 634 C 451 THR 569 CG2 240 0.939E+00 -0.700E-01 -0.142E-02 +GLU 634 C 451 THR 569 HG1 242 0.102E+01 0.142E+00 0.000E+00 +GLU 634 C 451 TRP 571 CB 255 0.104E+01 -0.334E-01 -0.759E-03 +GLU 634 C 451 TRP 571 CD2 258 0.104E+01 0.306E-01 -0.668E-03 +GLU 634 C 451 TRP 571 CE3 261 0.988E+00 -0.567E-01 -0.927E-03 +GLU 634 C 451 TRP 571 CZ3 263 0.102E+01 -0.578E-01 -0.777E-03 +GLU 634 O 452 GLU 560 O 145 0.990E+00 0.275E+00 -0.975E-03 +GLU 634 O 452 ALA 561 N 152 0.102E+01 0.180E+00 -0.994E-03 +GLU 634 O 452 ALA 561 CA 153 0.880E+00 0.156E-01 -0.219E-02 +GLU 634 O 452 ALA 561 C 154 0.844E+00 -0.340E+00 -0.249E-02 +GLU 634 O 452 ALA 561 O 155 0.744E+00 0.413E+00 -0.539E-02 +GLU 634 O 452 ALA 561 CB 156 0.890E+00 0.126E+00 -0.204E-02 +GLU 634 O 452 GLN 562 N 158 0.951E+00 0.190E+00 -0.149E-02 +GLU 634 O 452 GLN 562 CA 159 0.958E+00 -0.180E-01 -0.131E-02 +GLU 634 O 452 GLN 562 C 160 0.966E+00 -0.201E+00 -0.111E-02 +GLU 634 O 452 GLN 562 O 161 0.943E+00 0.282E+00 -0.131E-02 +GLU 634 O 452 GLN 563 N 170 0.103E+01 0.170E+00 -0.944E-03 +GLU 634 O 452 GLN 563 C 172 0.946E+00 -0.208E+00 -0.126E-02 +GLU 634 O 452 GLN 563 O 173 0.959E+00 0.274E+00 -0.118E-02 +GLU 634 O 452 HIS 564 N 182 0.845E+00 0.314E+00 -0.300E-02 +GLU 634 O 452 HIS 564 CA 183 0.736E+00 -0.236E-01 -0.638E-02 +GLU 634 O 452 HIS 564 C 184 0.666E+00 -0.610E+00 -0.102E-01 +GLU 634 O 452 HIS 564 O 185 0.669E+00 0.483E+00 -0.102E-01 +GLU 634 O 452 HIS 564 CB 186 0.652E+00 0.146E+00 -0.131E-01 +GLU 634 O 452 HIS 564 CG 187 0.754E+00 -0.202E+00 -0.489E-02 +GLU 634 O 452 HIS 564 ND1 188 0.758E+00 0.305E+00 -0.578E-02 +GLU 634 O 452 HIS 564 CD2 189 0.883E+00 0.165E+00 -0.190E-02 +GLU 634 O 452 HIS 564 CE1 190 0.878E+00 -0.145E-01 -0.196E-02 +GLU 634 O 452 HIS 564 NE2 191 0.944E+00 0.487E-01 -0.155E-02 +GLU 634 O 452 HIS 564 HD1 193 0.692E+00 -0.137E+00 -0.226E-03 +GLU 634 O 452 LEU 565 N 195 0.651E+00 0.343E+00 -0.143E-01 +GLU 634 O 452 LEU 565 CA 196 0.641E+00 0.101E+00 -0.145E-01 +GLU 634 O 452 LEU 565 C 197 0.764E+00 -0.407E+00 -0.453E-02 +GLU 634 O 452 LEU 565 O 198 0.772E+00 0.388E+00 -0.430E-02 +GLU 634 O 452 LEU 565 CB 199 0.677E+00 0.129E+00 -0.105E-01 +GLU 634 O 452 LEU 565 CG 200 0.604E+00 -0.217E+00 -0.206E-01 +GLU 634 O 452 LEU 565 CD1 201 0.714E+00 0.990E-01 -0.762E-02 +GLU 634 O 452 LEU 565 CD2 202 0.476E+00 0.239E+00 -0.795E-01 +GLU 634 O 452 LEU 566 N 204 0.879E+00 0.198E+00 -0.239E-02 +GLU 634 O 452 LEU 566 CA 205 0.100E+01 0.459E-01 -0.100E-02 +GLU 634 O 452 LEU 566 C 206 0.101E+01 -0.258E+00 -0.861E-03 +GLU 634 O 452 GLN 567 N 213 0.963E+00 0.187E+00 -0.138E-02 +GLU 634 O 452 GLN 567 CA 214 0.990E+00 -0.171E-01 -0.108E-02 +GLU 634 O 452 GLN 567 C 215 0.926E+00 -0.215E+00 -0.143E-02 +GLU 634 O 452 GLN 567 O 216 0.100E+01 0.257E+00 -0.906E-03 +GLU 634 O 452 GLN 567 CB 217 0.974E+00 0.152E-01 -0.119E-02 +GLU 634 O 452 LEU 568 N 225 0.802E+00 0.231E+00 -0.411E-02 +GLU 634 O 452 LEU 568 CA 226 0.752E+00 0.738E-01 -0.560E-02 +GLU 634 O 452 LEU 568 C 227 0.843E+00 -0.342E+00 -0.251E-02 +GLU 634 O 452 LEU 568 O 228 0.908E+00 0.295E+00 -0.163E-02 +GLU 634 O 452 LEU 568 CB 229 0.604E+00 0.163E+00 -0.205E-01 +GLU 634 O 452 LEU 568 CG 230 0.521E+00 -0.302E+00 -0.485E-01 +GLU 634 O 452 LEU 568 CD1 231 0.371E+00 0.453E+00 -0.236E+00 +GLU 634 O 452 LEU 568 CD2 232 0.584E+00 0.149E+00 -0.249E-01 +GLU 634 O 452 THR 569 N 234 0.881E+00 0.136E+00 -0.234E-02 +GLU 634 O 452 THR 569 CA 235 0.994E+00 0.125E+00 -0.106E-02 +GLU 634 O 452 THR 569 CB 238 0.104E+01 -0.103E+00 -0.818E-03 +GLU 634 O 452 THR 569 CG2 240 0.944E+00 0.875E-01 -0.144E-02 +GLU 634 O 452 THR 569 HG1 242 0.101E+01 -0.182E+00 0.000E+00 +GLU 634 CB 453 ALA 561 O 155 0.947E+00 -0.347E-01 -0.141E-02 +GLU 634 CB 453 GLN 563 C 172 0.104E+01 0.227E-01 -0.746E-03 +GLU 634 CB 453 GLN 563 O 173 0.103E+01 -0.312E-01 -0.850E-03 +GLU 634 CB 453 HIS 564 N 182 0.953E+00 -0.327E-01 -0.160E-02 +GLU 634 CB 453 HIS 564 CA 183 0.815E+00 0.248E-02 -0.372E-02 +GLU 634 CB 453 HIS 564 C 184 0.751E+00 0.613E-01 -0.537E-02 +GLU 634 CB 453 HIS 564 O 185 0.706E+00 -0.550E-01 -0.812E-02 +GLU 634 CB 453 HIS 564 CB 186 0.747E+00 -0.142E-01 -0.627E-02 +GLU 634 CB 453 HIS 564 CG 187 0.829E+00 0.216E-01 -0.298E-02 +GLU 634 CB 453 HIS 564 ND1 188 0.840E+00 -0.321E-01 -0.339E-02 +GLU 634 CB 453 HIS 564 CD2 189 0.934E+00 -0.191E-01 -0.147E-02 +GLU 634 CB 453 HIS 564 CE1 190 0.941E+00 0.164E-02 -0.139E-02 +GLU 634 CB 453 HIS 564 NE2 191 0.992E+00 -0.572E-02 -0.126E-02 +GLU 634 CB 453 HIS 564 HD1 193 0.792E+00 0.135E-01 -0.136E-03 +GLU 634 CB 453 LEU 565 N 195 0.786E+00 -0.302E-01 -0.503E-02 +GLU 634 CB 453 LEU 565 CA 196 0.784E+00 -0.865E-02 -0.470E-02 +GLU 634 CB 453 LEU 565 C 197 0.869E+00 0.411E-01 -0.225E-02 +GLU 634 CB 453 LEU 565 O 198 0.849E+00 -0.416E-01 -0.271E-02 +GLU 634 CB 453 LEU 565 CB 199 0.869E+00 -0.103E-01 -0.254E-02 +GLU 634 CB 453 LEU 565 CG 200 0.839E+00 0.146E-01 -0.314E-02 +GLU 634 CB 453 LEU 565 CD1 201 0.958E+00 -0.757E-02 -0.142E-02 +GLU 634 CB 453 LEU 565 CD2 202 0.709E+00 -0.127E-01 -0.854E-02 +GLU 634 CB 453 LEU 566 N 204 0.983E+00 -0.210E-01 -0.132E-02 +GLU 634 CB 453 LEU 566 C 206 0.104E+01 0.312E-01 -0.764E-03 +GLU 634 CB 453 GLN 567 N 213 0.977E+00 -0.231E-01 -0.137E-02 +GLU 634 CB 453 GLN 567 CA 214 0.957E+00 0.228E-02 -0.143E-02 +GLU 634 CB 453 GLN 567 C 215 0.867E+00 0.302E-01 -0.229E-02 +GLU 634 CB 453 GLN 567 O 216 0.912E+00 -0.375E-01 -0.176E-02 +GLU 634 CB 453 GLN 567 CB 217 0.925E+00 -0.208E-02 -0.175E-02 +GLU 634 CB 453 GLN 567 CG 218 0.105E+01 -0.108E-02 -0.838E-03 +GLU 634 CB 453 LEU 568 N 225 0.763E+00 -0.320E-01 -0.604E-02 +GLU 634 CB 453 LEU 568 CA 226 0.683E+00 -0.112E-01 -0.106E-01 +GLU 634 CB 453 LEU 568 C 227 0.784E+00 0.491E-01 -0.416E-02 +GLU 634 CB 453 LEU 568 O 228 0.816E+00 -0.446E-01 -0.345E-02 +GLU 634 CB 453 LEU 568 CB 229 0.560E+00 -0.243E-01 -0.339E-01 +GLU 634 CB 453 LEU 568 CG 230 0.470E+00 0.485E-01 -0.868E-01 +GLU 634 CB 453 LEU 568 CD1 231 0.369E+00 -0.580E-01 -0.169E+00 +GLU 634 CB 453 LEU 568 CD2 232 0.448E+00 -0.350E-01 -0.109E+00 +GLU 634 CB 453 THR 569 N 234 0.866E+00 -0.177E-01 -0.282E-02 +GLU 634 CB 453 THR 569 CA 235 0.984E+00 -0.160E-01 -0.121E-02 +GLU 634 CB 453 THR 569 CG2 240 0.102E+01 -0.992E-02 -0.998E-03 +GLU 634 CB 453 TRP 571 CB 255 0.919E+00 -0.643E-02 -0.181E-02 +GLU 634 CB 453 TRP 571 CG 256 0.926E+00 -0.648E-02 -0.154E-02 +GLU 634 CB 453 TRP 571 CD1 257 0.993E+00 -0.101E-01 -0.101E-02 +GLU 634 CB 453 TRP 571 CD2 258 0.902E+00 0.608E-02 -0.180E-02 +GLU 634 CB 453 TRP 571 NE1 259 0.101E+01 -0.169E-01 -0.113E-02 +GLU 634 CB 453 TRP 571 CE2 260 0.960E+00 0.870E-02 -0.124E-02 +GLU 634 CB 453 TRP 571 CE3 261 0.869E+00 -0.111E-01 -0.226E-02 +GLU 634 CB 453 TRP 571 CZ2 262 0.985E+00 -0.124E-01 -0.106E-02 +GLU 634 CB 453 TRP 571 CZ3 263 0.897E+00 -0.112E-01 -0.186E-02 +GLU 634 CB 453 TRP 571 CH2 264 0.955E+00 -0.822E-02 -0.128E-02 +GLU 634 CB 453 GLY 572 N 267 0.104E+01 -0.204E-01 -0.944E-03 +GLU 634 CG 454 ALA 561 O 155 0.103E+01 0.140E-01 -0.867E-03 +GLU 634 CG 454 HIS 564 N 182 0.102E+01 0.135E-01 -0.108E-02 +GLU 634 CG 454 HIS 564 CA 183 0.876E+00 -0.995E-03 -0.242E-02 +GLU 634 CG 454 HIS 564 C 184 0.834E+00 -0.231E-01 -0.288E-02 +GLU 634 CG 454 HIS 564 O 185 0.789E+00 0.203E-01 -0.420E-02 +GLU 634 CG 454 HIS 564 CB 186 0.797E+00 0.574E-02 -0.426E-02 +GLU 634 CG 454 HIS 564 CG 187 0.854E+00 -0.930E-02 -0.249E-02 +GLU 634 CG 454 HIS 564 ND1 188 0.851E+00 0.143E-01 -0.315E-02 +GLU 634 CG 454 HIS 564 CD2 189 0.951E+00 0.840E-02 -0.131E-02 +GLU 634 CG 454 HIS 564 CE1 190 0.937E+00 -0.749E-03 -0.143E-02 +GLU 634 CG 454 HIS 564 NE2 191 0.993E+00 0.259E-02 -0.125E-02 +GLU 634 CG 454 HIS 564 HD1 193 0.803E+00 -0.596E-02 -0.125E-03 +GLU 634 CG 454 LEU 565 N 195 0.884E+00 0.112E-01 -0.250E-02 +GLU 634 CG 454 LEU 565 CA 196 0.900E+00 0.311E-02 -0.206E-02 +GLU 634 CG 454 LEU 565 C 197 0.985E+00 -0.153E-01 -0.106E-02 +GLU 634 CG 454 LEU 565 O 198 0.970E+00 0.153E-01 -0.122E-02 +GLU 634 CG 454 LEU 565 CB 199 0.992E+00 0.381E-02 -0.115E-02 +GLU 634 CG 454 LEU 565 CG 200 0.967E+00 -0.528E-02 -0.134E-02 +GLU 634 CG 454 LEU 565 CD2 202 0.844E+00 0.420E-02 -0.302E-02 +GLU 634 CG 454 GLN 567 CA 214 0.103E+01 -0.929E-03 -0.927E-03 +GLU 634 CG 454 GLN 567 C 215 0.944E+00 -0.119E-01 -0.137E-02 +GLU 634 CG 454 GLN 567 O 216 0.985E+00 0.151E-01 -0.111E-02 +GLU 634 CG 454 GLN 567 CB 217 0.977E+00 0.866E-03 -0.126E-02 +GLU 634 CG 454 LEU 568 N 225 0.853E+00 0.119E-01 -0.308E-02 +GLU 634 CG 454 LEU 568 CA 226 0.781E+00 0.395E-02 -0.482E-02 +GLU 634 CG 454 LEU 568 C 227 0.891E+00 -0.179E-01 -0.194E-02 +GLU 634 CG 454 LEU 568 O 228 0.916E+00 0.167E-01 -0.172E-02 +GLU 634 CG 454 LEU 568 CB 229 0.672E+00 0.748E-02 -0.117E-01 +GLU 634 CG 454 LEU 568 CG 230 0.569E+00 -0.141E-01 -0.309E-01 +GLU 634 CG 454 LEU 568 CD1 231 0.487E+00 0.129E-01 -0.724E-01 +GLU 634 CG 454 LEU 568 CD2 232 0.514E+00 0.114E-01 -0.548E-01 +GLU 634 CG 454 THR 569 N 234 0.983E+00 0.657E-02 -0.132E-02 +GLU 634 CG 454 TRP 571 CB 255 0.972E+00 0.267E-02 -0.130E-02 +GLU 634 CG 454 TRP 571 CG 256 0.965E+00 0.276E-02 -0.121E-02 +GLU 634 CG 454 TRP 571 CD1 257 0.101E+01 0.446E-02 -0.899E-03 +GLU 634 CG 454 TRP 571 CD2 258 0.944E+00 -0.257E-02 -0.137E-02 +GLU 634 CG 454 TRP 571 NE1 259 0.102E+01 0.756E-02 -0.106E-02 +GLU 634 CG 454 TRP 571 CE2 260 0.983E+00 -0.381E-02 -0.108E-02 +GLU 634 CG 454 TRP 571 CE3 261 0.926E+00 0.452E-02 -0.154E-02 +GLU 634 CG 454 TRP 571 CZ2 262 0.100E+01 0.549E-02 -0.956E-03 +GLU 634 CG 454 TRP 571 CZ3 263 0.949E+00 0.464E-02 -0.133E-02 +GLU 634 CG 454 TRP 571 CH2 264 0.987E+00 0.355E-02 -0.105E-02 +GLU 634 CD 455 ALA 561 O 155 0.102E+01 -0.318E+00 -0.813E-03 +GLU 634 CD 455 GLN 563 O 173 0.104E+01 -0.314E+00 -0.716E-03 +GLU 634 CD 455 HIS 564 N 182 0.964E+00 -0.328E+00 -0.132E-02 +GLU 634 CD 455 HIS 564 CA 183 0.820E+00 0.250E-01 -0.318E-02 +GLU 634 CD 455 HIS 564 C 184 0.792E+00 0.568E+00 -0.348E-02 +GLU 634 CD 455 HIS 564 O 185 0.738E+00 -0.516E+00 -0.555E-02 +GLU 634 CD 455 HIS 564 CB 186 0.749E+00 -0.144E+00 -0.547E-02 +GLU 634 CD 455 HIS 564 CG 187 0.792E+00 0.238E+00 -0.347E-02 +GLU 634 CD 455 HIS 564 ND1 188 0.794E+00 -0.361E+00 -0.420E-02 +GLU 634 CD 455 HIS 564 CD2 189 0.872E+00 -0.217E+00 -0.195E-02 +GLU 634 CD 455 HIS 564 CE1 190 0.869E+00 0.190E-01 -0.200E-02 +GLU 634 CD 455 HIS 564 NE2 191 0.912E+00 -0.664E-01 -0.185E-02 +GLU 634 CD 455 HIS 564 HD1 193 0.760E+00 0.148E+00 -0.154E-03 +GLU 634 CD 455 LEU 565 N 195 0.863E+00 -0.263E+00 -0.256E-02 +GLU 634 CD 455 LEU 565 CA 196 0.893E+00 -0.707E-01 -0.191E-02 +GLU 634 CD 455 LEU 565 C 197 0.967E+00 0.354E+00 -0.105E-02 +GLU 634 CD 455 LEU 565 O 198 0.954E+00 -0.352E+00 -0.119E-02 +GLU 634 CD 455 LEU 565 CB 199 0.100E+01 -0.844E-01 -0.957E-03 +GLU 634 CD 455 LEU 565 CG 200 0.999E+00 0.113E+00 -0.975E-03 +GLU 634 CD 455 LEU 565 CD2 202 0.890E+00 -0.867E-01 -0.195E-02 +GLU 634 CD 455 GLN 567 N 213 0.997E+00 -0.228E+00 -0.108E-02 +GLU 634 CD 455 GLN 567 CA 214 0.950E+00 0.235E-01 -0.132E-02 +GLU 634 CD 455 GLN 567 C 215 0.873E+00 0.305E+00 -0.194E-02 +GLU 634 CD 455 GLN 567 O 216 0.910E+00 -0.384E+00 -0.159E-02 +GLU 634 CD 455 GLN 567 CB 217 0.883E+00 -0.228E-01 -0.205E-02 +GLU 634 CD 455 GLN 567 CG 218 0.991E+00 -0.119E-01 -0.103E-02 +GLU 634 CD 455 LEU 568 N 225 0.798E+00 -0.300E+00 -0.407E-02 +GLU 634 CD 455 LEU 568 CA 226 0.738E+00 -0.986E-01 -0.598E-02 +GLU 634 CD 455 LEU 568 C 227 0.860E+00 0.427E+00 -0.212E-02 +GLU 634 CD 455 LEU 568 O 228 0.885E+00 -0.397E+00 -0.188E-02 +GLU 634 CD 455 LEU 568 CB 229 0.651E+00 -0.180E+00 -0.126E-01 +GLU 634 CD 455 LEU 568 CG 230 0.535E+00 0.365E+00 -0.386E-01 +GLU 634 CD 455 LEU 568 CD1 231 0.489E+00 -0.288E+00 -0.628E-01 +GLU 634 CD 455 LEU 568 CD2 232 0.448E+00 -0.357E+00 -0.971E-01 +GLU 634 CD 455 THR 569 N 234 0.960E+00 -0.153E+00 -0.135E-02 +GLU 634 CD 455 TRP 571 CA 252 0.105E+01 -0.110E-01 -0.743E-03 +GLU 634 CD 455 TRP 571 CB 255 0.901E+00 -0.677E-01 -0.181E-02 +GLU 634 CD 455 TRP 571 CG 256 0.895E+00 -0.698E-01 -0.168E-02 +GLU 634 CD 455 TRP 571 CD1 257 0.929E+00 -0.115E+00 -0.134E-02 +GLU 634 CD 455 TRP 571 CD2 258 0.891E+00 0.632E-01 -0.171E-02 +GLU 634 CD 455 TRP 571 NE1 259 0.944E+00 -0.191E+00 -0.150E-02 +GLU 634 CD 455 TRP 571 CE2 260 0.924E+00 0.942E-01 -0.138E-02 +GLU 634 CD 455 TRP 571 CE3 261 0.896E+00 -0.107E+00 -0.166E-02 +GLU 634 CD 455 TRP 571 CZ2 262 0.958E+00 -0.132E+00 -0.111E-02 +GLU 634 CD 455 TRP 571 CZ3 263 0.933E+00 -0.107E+00 -0.131E-02 +GLU 634 CD 455 TRP 571 CH2 264 0.963E+00 -0.828E-01 -0.108E-02 +GLU 634 CD 455 TRP 571 HE1 266 0.982E+00 0.194E+00 -0.331E-04 +GLU 634 OE1 456 GLU 560 O 145 0.103E+01 0.362E+00 -0.790E-03 +GLU 634 OE1 456 ALA 561 CA 153 0.104E+01 0.167E-01 -0.798E-03 +GLU 634 OE1 456 ALA 561 C 154 0.102E+01 -0.351E+00 -0.799E-03 +GLU 634 OE1 456 ALA 561 O 155 0.913E+00 0.404E+00 -0.158E-02 +GLU 634 OE1 456 GLN 563 C 172 0.938E+00 -0.292E+00 -0.132E-02 +GLU 634 OE1 456 GLN 563 O 173 0.921E+00 0.406E+00 -0.150E-02 +GLU 634 OE1 456 HIS 564 N 182 0.845E+00 0.437E+00 -0.302E-02 +GLU 634 OE1 456 HIS 564 CA 183 0.701E+00 -0.359E-01 -0.852E-02 +GLU 634 OE1 456 HIS 564 C 184 0.679E+00 -0.815E+00 -0.907E-02 +GLU 634 OE1 456 HIS 564 O 185 0.628E+00 0.763E+00 -0.147E-01 +GLU 634 OE1 456 HIS 564 CB 186 0.632E+00 0.217E+00 -0.158E-01 +GLU 634 OE1 456 HIS 564 CG 187 0.674E+00 -0.348E+00 -0.951E-02 +GLU 634 OE1 456 HIS 564 ND1 188 0.684E+00 0.514E+00 -0.107E-01 +GLU 634 OE1 456 HIS 564 CD2 189 0.751E+00 0.303E+00 -0.499E-02 +GLU 634 OE1 456 HIS 564 CE1 190 0.759E+00 -0.259E-01 -0.469E-02 +GLU 634 OE1 456 HIS 564 NE2 191 0.795E+00 0.899E-01 -0.432E-02 +GLU 634 OE1 456 HIS 564 HD1 193 0.656E+00 -0.211E+00 -0.311E-03 +GLU 634 OE1 456 LEU 565 N 195 0.758E+00 0.355E+00 -0.579E-02 +GLU 634 OE1 456 LEU 565 CA 196 0.799E+00 0.919E-01 -0.389E-02 +GLU 634 OE1 456 LEU 565 C 197 0.872E+00 -0.449E+00 -0.204E-02 +GLU 634 OE1 456 LEU 565 O 198 0.869E+00 0.440E+00 -0.213E-02 +GLU 634 OE1 456 LEU 565 CB 199 0.914E+00 0.105E+00 -0.174E-02 +GLU 634 OE1 456 LEU 565 CG 200 0.922E+00 -0.138E+00 -0.165E-02 +GLU 634 OE1 456 LEU 565 CD2 202 0.825E+00 0.106E+00 -0.321E-02 +GLU 634 OE1 456 LEU 566 N 204 0.959E+00 0.239E+00 -0.141E-02 +GLU 634 OE1 456 LEU 566 CA 205 0.105E+01 0.598E-01 -0.767E-03 +GLU 634 OE1 456 LEU 566 C 206 0.988E+00 -0.370E+00 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0.102E+01 0.202E+00 -0.105E-02 +ILE 635 N 459 THR 569 CG2 240 0.864E+00 0.767E-01 -0.287E-02 +ILE 635 N 459 THR 569 HG1 242 0.973E+00 -0.146E+00 0.000E+00 +ILE 635 N 459 TRP 571 CB 255 0.101E+01 0.334E-01 -0.111E-02 +ILE 635 N 459 TRP 571 CG 256 0.104E+01 0.327E-01 -0.833E-03 +ILE 635 N 459 TRP 571 CD2 258 0.100E+01 -0.311E-01 -0.104E-02 +ILE 635 N 459 TRP 571 CE3 261 0.932E+00 0.594E-01 -0.162E-02 +ILE 635 N 459 TRP 571 CZ3 263 0.955E+00 0.609E-01 -0.140E-02 +ILE 635 N 459 TRP 571 CH2 264 0.104E+01 0.433E-01 -0.816E-03 +ILE 635 N 459 GLY 572 N 267 0.104E+01 0.122E+00 -0.102E-02 +ILE 635 CA 460 ALA 561 CA 153 0.103E+01 0.212E-02 -0.943E-03 +ILE 635 CA 460 ALA 561 C 154 0.955E+00 -0.479E-01 -0.128E-02 +ILE 635 CA 460 ALA 561 O 155 0.850E+00 0.562E-01 -0.268E-02 +ILE 635 CA 460 ALA 561 CB 156 0.103E+01 0.172E-01 -0.910E-03 +ILE 635 CA 460 GLN 562 N 158 0.104E+01 0.288E-01 -0.968E-03 +ILE 635 CA 460 GLN 562 CA 159 0.101E+01 -0.288E-02 -0.106E-02 +ILE 635 CA 460 GLN 562 C 160 0.101E+01 -0.323E-01 -0.900E-03 +ILE 635 CA 460 GLN 562 O 161 0.961E+00 0.470E-01 -0.129E-02 +ILE 635 CA 460 GLN 563 C 172 0.103E+01 -0.317E-01 -0.837E-03 +ILE 635 CA 460 GLN 563 O 173 0.102E+01 0.431E-01 -0.906E-03 +ILE 635 CA 460 HIS 564 N 182 0.953E+00 0.445E-01 -0.160E-02 +ILE 635 CA 460 HIS 564 CA 183 0.852E+00 -0.313E-02 -0.286E-02 +ILE 635 CA 460 HIS 564 C 184 0.741E+00 -0.854E-01 -0.581E-02 +ILE 635 CA 460 HIS 564 O 185 0.726E+00 0.709E-01 -0.689E-02 +ILE 635 CA 460 HIS 564 CB 186 0.810E+00 0.167E-01 -0.385E-02 +ILE 635 CA 460 HIS 564 CG 187 0.940E+00 -0.240E-01 -0.141E-02 +ILE 635 CA 460 HIS 564 ND1 188 0.972E+00 0.346E-01 -0.142E-02 +ILE 635 CA 460 HIS 564 HD1 193 0.918E+00 -0.143E-01 -0.558E-04 +ILE 635 CA 460 LEU 565 N 195 0.700E+00 0.510E-01 -0.100E-01 +ILE 635 CA 460 LEU 565 CA 196 0.631E+00 0.179E-01 -0.169E-01 +ILE 635 CA 460 LEU 565 C 197 0.724E+00 -0.772E-01 -0.667E-02 +ILE 635 CA 460 LEU 565 O 198 0.699E+00 0.804E-01 -0.863E-02 +ILE 635 CA 460 LEU 565 CB 199 0.645E+00 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-0.393E-02 +ILE 635 CA 460 LEU 568 CB 229 0.554E+00 0.338E-01 -0.361E-01 +ILE 635 CA 460 LEU 568 CG 230 0.544E+00 -0.468E-01 -0.397E-01 +ILE 635 CA 460 LEU 568 CD1 231 0.413E+00 0.585E-01 -0.152E+00 +ILE 635 CA 460 LEU 568 CD2 232 0.637E+00 0.214E-01 -0.161E-01 +ILE 635 CA 460 THR 569 N 234 0.764E+00 0.299E-01 -0.596E-02 +ILE 635 CA 460 THR 569 CA 235 0.846E+00 0.277E-01 -0.298E-02 +ILE 635 CA 460 THR 569 C 236 0.983E+00 -0.450E-01 -0.108E-02 +ILE 635 CA 460 THR 569 O 237 0.104E+01 0.407E-01 -0.784E-03 +ILE 635 CA 460 THR 569 CB 238 0.880E+00 -0.228E-01 -0.235E-02 +ILE 635 CA 460 THR 569 OG1 239 0.950E+00 0.510E-01 -0.153E-02 +ILE 635 CA 460 THR 569 CG2 240 0.771E+00 0.211E-01 -0.518E-02 +ILE 635 CA 460 THR 569 HG1 242 0.905E+00 -0.370E-01 0.000E+00 +ILE 635 CA 460 VAL 570 N 243 0.104E+01 0.331E-01 -0.918E-03 +ILE 635 CA 460 TRP 571 CB 255 0.104E+01 0.724E-02 -0.857E-03 +ILE 635 CA 460 TRP 571 CE3 261 0.973E+00 0.126E-01 -0.114E-02 +ILE 635 CA 460 TRP 571 CZ3 263 0.100E+01 0.128E-01 -0.951E-03 +ILE 635 CA 460 GLY 572 N 267 0.104E+01 0.278E-01 -0.956E-03 +ILE 635 C 461 ALA 561 CA 153 0.102E+01 -0.120E-01 -0.887E-03 +ILE 635 C 461 ALA 561 C 154 0.956E+00 0.267E+00 -0.113E-02 +ILE 635 C 461 ALA 561 O 155 0.864E+00 -0.305E+00 -0.217E-02 +ILE 635 C 461 ALA 561 CB 156 0.999E+00 -0.101E+00 -0.975E-03 +ILE 635 C 461 GLN 562 N 158 0.104E+01 -0.161E+00 -0.855E-03 +ILE 635 C 461 GLN 562 CA 159 0.102E+01 0.158E-01 -0.880E-03 +ILE 635 C 461 GLN 562 C 160 0.105E+01 0.172E+00 -0.661E-03 +ILE 635 C 461 GLN 562 O 161 0.101E+01 -0.245E+00 -0.874E-03 +ILE 635 C 461 HIS 564 N 182 0.101E+01 -0.227E+00 -0.994E-03 +ILE 635 C 461 HIS 564 CA 183 0.922E+00 0.153E-01 -0.158E-02 +ILE 635 C 461 HIS 564 C 184 0.821E+00 0.396E+00 -0.280E-02 +ILE 635 C 461 HIS 564 O 185 0.825E+00 -0.314E+00 -0.284E-02 +ILE 635 C 461 HIS 564 CB 186 0.866E+00 -0.832E-01 -0.229E-02 +ILE 635 C 461 HIS 564 CG 187 0.990E+00 0.124E+00 -0.917E-03 +ILE 635 C 461 HIS 564 ND1 188 0.101E+01 -0.183E+00 -0.101E-02 +ILE 635 C 461 HIS 564 HD1 193 0.945E+00 0.762E-01 -0.417E-04 +ILE 635 C 461 LEU 565 N 195 0.765E+00 -0.241E+00 -0.524E-02 +ILE 635 C 461 LEU 565 CA 196 0.702E+00 -0.806E-01 -0.802E-02 +ILE 635 C 461 LEU 565 C 197 0.810E+00 0.351E+00 -0.303E-02 +ILE 635 C 461 LEU 565 O 198 0.800E+00 -0.350E+00 -0.342E-02 +ILE 635 C 461 LEU 565 CB 199 0.688E+00 -0.120E+00 -0.905E-02 +ILE 635 C 461 LEU 565 CG 200 0.578E+00 0.229E+00 -0.250E-01 +ILE 635 C 461 LEU 565 CD1 201 0.626E+00 -0.123E+00 -0.157E-01 +ILE 635 C 461 LEU 565 CD2 202 0.436E+00 -0.284E+00 -0.109E+00 +ILE 635 C 461 LEU 566 N 204 0.935E+00 -0.172E+00 -0.158E-02 +ILE 635 C 461 GLN 567 C 215 0.104E+01 0.173E+00 -0.674E-03 +ILE 635 C 461 LEU 568 N 225 0.908E+00 -0.180E+00 -0.189E-02 +ILE 635 C 461 LEU 568 CA 226 0.842E+00 -0.580E-01 -0.273E-02 +ILE 635 C 461 LEU 568 C 227 0.885E+00 0.303E+00 -0.179E-02 +ILE 635 C 461 LEU 568 O 228 0.943E+00 -0.267E+00 -0.128E-02 +ILE 635 C 461 LEU 568 CB 229 0.693E+00 -0.118E+00 -0.863E-02 +ILE 635 C 461 LEU 568 CG 230 0.675E+00 0.166E+00 -0.102E-01 +ILE 635 C 461 LEU 568 CD1 231 0.536E+00 -0.173E+00 -0.384E-01 +ILE 635 C 461 LEU 568 CD2 232 0.770E+00 -0.825E-01 -0.463E-02 +ILE 635 C 461 THR 569 N 234 0.895E+00 -0.127E+00 -0.206E-02 +ILE 635 C 461 THR 569 CA 235 0.972E+00 -0.124E+00 -0.115E-02 +ILE 635 C 461 THR 569 CB 238 0.990E+00 0.106E+00 -0.103E-02 +ILE 635 C 461 THR 569 CG2 240 0.868E+00 -0.960E-01 -0.226E-02 +ILE 635 C 461 THR 569 HG1 242 0.101E+01 0.174E+00 0.000E+00 +ILE 635 O 462 ALA 561 CA 153 0.941E+00 0.146E-01 -0.146E-02 +ILE 635 O 462 ALA 561 C 154 0.878E+00 -0.332E+00 -0.196E-02 +ILE 635 O 462 ALA 561 O 155 0.795E+00 0.383E+00 -0.363E-02 +ILE 635 O 462 ALA 561 CB 156 0.915E+00 0.125E+00 -0.173E-02 +ILE 635 O 462 GLN 562 N 158 0.952E+00 0.199E+00 -0.148E-02 +ILE 635 O 462 GLN 562 CA 159 0.931E+00 -0.196E-01 -0.156E-02 +ILE 635 O 462 GLN 562 C 160 0.973E+00 -0.208E+00 -0.106E-02 +ILE 635 O 462 GLN 562 O 161 0.938E+00 0.297E+00 -0.135E-02 +ILE 635 O 462 GLN 562 CB 162 0.103E+01 0.145E-01 -0.836E-03 +ILE 635 O 462 GLN 562 CG 163 0.100E+01 0.949E-02 -0.999E-03 +ILE 635 O 462 GLN 563 C 172 0.105E+01 -0.187E+00 -0.686E-03 +ILE 635 O 462 HIS 564 N 182 0.970E+00 0.263E+00 -0.132E-02 +ILE 635 O 462 HIS 564 CA 183 0.896E+00 -0.175E-01 -0.196E-02 +ILE 635 O 462 HIS 564 C 184 0.798E+00 -0.454E+00 -0.348E-02 +ILE 635 O 462 HIS 564 O 185 0.818E+00 0.348E+00 -0.306E-02 +ILE 635 O 462 HIS 564 CB 186 0.843E+00 0.949E-01 -0.283E-02 +ILE 635 O 462 HIS 564 CG 187 0.968E+00 -0.139E+00 -0.109E-02 +ILE 635 O 462 HIS 564 ND1 188 0.987E+00 0.205E+00 -0.119E-02 +ILE 635 O 462 HIS 564 HD1 193 0.925E+00 -0.859E-01 -0.399E-04 +ILE 635 O 462 LEU 565 N 195 0.725E+00 0.290E+00 -0.751E-02 +ILE 635 O 462 LEU 565 CA 196 0.660E+00 0.990E-01 -0.121E-01 +ILE 635 O 462 LEU 565 C 197 0.776E+00 -0.413E+00 -0.412E-02 +ILE 635 O 462 LEU 565 O 198 0.779E+00 0.400E+00 -0.409E-02 +ILE 635 O 462 LEU 565 CB 199 0.622E+00 0.159E+00 -0.172E-01 +ILE 635 O 462 LEU 565 CG 200 0.497E+00 -0.352E+00 -0.632E-01 +ILE 635 O 462 LEU 565 CD1 201 0.532E+00 0.192E+00 -0.429E-01 +ILE 635 O 462 LEU 565 CD2 202 0.370E+00 0.477E+00 -0.237E+00 +ILE 635 O 462 LEU 566 N 204 0.894E+00 0.201E+00 -0.215E-02 +ILE 635 O 462 LEU 566 CA 205 0.102E+01 0.470E-01 -0.923E-03 +ILE 635 O 462 LEU 568 N 225 0.923E+00 0.191E+00 -0.178E-02 +ILE 635 O 462 LEU 568 CA 226 0.872E+00 0.595E-01 -0.230E-02 +ILE 635 O 462 LEU 568 C 227 0.914E+00 -0.313E+00 -0.154E-02 +ILE 635 O 462 LEU 568 O 228 0.984E+00 0.272E+00 -0.101E-02 +ILE 635 O 462 LEU 568 CB 229 0.727E+00 0.117E+00 -0.684E-02 +ILE 635 O 462 LEU 568 CG 230 0.709E+00 -0.164E+00 -0.798E-02 +ILE 635 O 462 LEU 568 CD1 231 0.574E+00 0.162E+00 -0.278E-01 +ILE 635 O 462 LEU 568 CD2 232 0.820E+00 0.806E-01 -0.335E-02 +ILE 635 O 462 THR 569 N 234 0.908E+00 0.135E+00 -0.196E-02 +ILE 635 O 462 THR 569 CA 235 0.983E+00 0.133E+00 -0.113E-02 +ILE 635 O 462 THR 569 CB 238 0.982E+00 -0.117E+00 -0.113E-02 +ILE 635 O 462 THR 569 OG1 239 0.104E+01 0.271E+00 -0.803E-03 +ILE 635 O 462 THR 569 CG2 240 0.852E+00 0.108E+00 -0.266E-02 +ILE 635 O 462 THR 569 HG1 242 0.996E+00 -0.194E+00 0.000E+00 +ILE 635 CB 463 ALA 561 O 155 0.955E+00 -0.283E-01 -0.134E-02 +ILE 635 CB 463 GLN 562 O 161 0.102E+01 -0.262E-01 -0.915E-03 +ILE 635 CB 463 HIS 564 N 182 0.104E+01 -0.237E-01 -0.932E-03 +ILE 635 CB 463 HIS 564 CA 183 0.944E+00 0.161E-02 -0.155E-02 +ILE 635 CB 463 HIS 564 C 184 0.819E+00 0.435E-01 -0.322E-02 +ILE 635 CB 463 HIS 564 O 185 0.790E+00 -0.370E-01 -0.417E-02 +ILE 635 CB 463 HIS 564 CB 186 0.921E+00 -0.821E-02 -0.179E-02 +ILE 635 CB 463 LEU 565 N 195 0.776E+00 -0.256E-01 -0.546E-02 +ILE 635 CB 463 LEU 565 CA 196 0.684E+00 -0.924E-02 -0.106E-01 +ILE 635 CB 463 LEU 565 C 197 0.750E+00 0.440E-01 -0.542E-02 +ILE 635 CB 463 LEU 565 O 198 0.702E+00 -0.485E-01 -0.843E-02 +ILE 635 CB 463 LEU 565 CB 199 0.694E+00 -0.128E-01 -0.966E-02 +ILE 635 CB 463 LEU 565 CG 200 0.623E+00 0.212E-01 -0.182E-01 +ILE 635 CB 463 LEU 565 CD1 201 0.662E+00 -0.120E-01 -0.128E-01 +ILE 635 CB 463 LEU 565 CD2 202 0.475E+00 -0.251E-01 -0.826E-01 +ILE 635 CB 463 LEU 566 N 204 0.883E+00 -0.205E-01 -0.251E-02 +ILE 635 CB 463 LEU 566 CA 205 0.975E+00 -0.500E-02 -0.128E-02 +ILE 635 CB 463 LEU 566 C 206 0.980E+00 0.282E-01 -0.110E-02 +ILE 635 CB 463 LEU 566 O 207 0.994E+00 -0.268E-01 -0.105E-02 +ILE 635 CB 463 GLN 567 N 213 0.986E+00 -0.188E-01 -0.130E-02 +ILE 635 CB 463 GLN 567 CA 214 0.102E+01 0.172E-02 -0.989E-03 +ILE 635 CB 463 GLN 567 C 215 0.917E+00 0.228E-01 -0.163E-02 +ILE 635 CB 463 GLN 567 O 216 0.964E+00 -0.285E-01 -0.127E-02 +ILE 635 CB 463 LEU 568 N 225 0.786E+00 -0.250E-01 -0.504E-02 +ILE 635 CB 463 LEU 568 CA 226 0.694E+00 -0.898E-02 -0.971E-02 +ILE 635 CB 463 LEU 568 C 227 0.706E+00 0.493E-01 -0.776E-02 +ILE 635 CB 463 LEU 568 O 228 0.744E+00 -0.434E-01 -0.594E-02 +ILE 635 CB 463 LEU 568 CB 229 0.560E+00 -0.201E-01 -0.339E-01 +ILE 635 CB 463 LEU 568 CG 230 0.591E+00 0.237E-01 -0.248E-01 +ILE 635 CB 463 LEU 568 CD1 231 0.487E+00 -0.237E-01 -0.730E-01 +ILE 635 CB 463 LEU 568 CD2 232 0.683E+00 -0.113E-01 -0.107E-01 +ILE 635 CB 463 THR 569 N 234 0.721E+00 -0.203E-01 -0.846E-02 +ILE 635 CB 463 THR 569 CA 235 0.779E+00 -0.194E-01 -0.486E-02 +ILE 635 CB 463 THR 569 C 236 0.917E+00 0.305E-01 -0.163E-02 +ILE 635 CB 463 THR 569 O 237 0.964E+00 -0.278E-01 -0.127E-02 +ILE 635 CB 463 THR 569 CB 238 0.815E+00 0.157E-01 -0.372E-02 +ILE 635 CB 463 THR 569 OG1 239 0.905E+00 -0.335E-01 -0.205E-02 +ILE 635 CB 463 THR 569 CG2 240 0.705E+00 -0.152E-01 -0.879E-02 +ILE 635 CB 463 THR 569 HG1 242 0.873E+00 0.238E-01 0.000E+00 +ILE 635 CB 463 VAL 570 N 243 0.996E+00 -0.216E-01 -0.122E-02 +ILE 635 CB 463 TRP 571 CB 255 0.101E+01 -0.463E-02 -0.106E-02 +ILE 635 CB 463 TRP 571 CG 256 0.105E+01 -0.447E-02 -0.741E-03 +ILE 635 CB 463 TRP 571 CD2 258 0.999E+00 0.430E-02 -0.976E-03 +ILE 635 CB 463 TRP 571 CE3 261 0.905E+00 -0.855E-02 -0.176E-02 +ILE 635 CB 463 TRP 571 CZ3 263 0.927E+00 -0.877E-02 -0.153E-02 +ILE 635 CB 463 TRP 571 CH2 264 0.104E+01 -0.600E-02 -0.776E-03 +ILE 635 CB 463 GLY 572 N 267 0.959E+00 -0.190E-01 -0.154E-02 +ILE 635 CB 463 GLY 572 CA 268 0.958E+00 -0.656E-02 -0.142E-02 +ILE 635 CG1 464 ALA 561 O 155 0.968E+00 -0.986E-02 -0.124E-02 +ILE 635 CG1 464 GLN 562 O 161 0.994E+00 -0.964E-02 -0.105E-02 +ILE 635 CG1 464 GLN 563 O 173 0.102E+01 -0.924E-02 -0.886E-03 +ILE 635 CG1 464 HIS 564 N 182 0.101E+01 -0.879E-02 -0.112E-02 +ILE 635 CG1 464 HIS 564 CA 183 0.905E+00 0.611E-03 -0.199E-02 +ILE 635 CG1 464 HIS 564 C 184 0.773E+00 0.171E-01 -0.453E-02 +ILE 635 CG1 464 HIS 564 O 185 0.724E+00 -0.154E-01 -0.700E-02 +ILE 635 CG1 464 HIS 564 CB 186 0.901E+00 -0.302E-02 -0.205E-02 +ILE 635 CG1 464 HIS 564 CG 187 0.104E+01 0.445E-02 -0.772E-03 +ILE 635 CG1 464 LEU 565 N 195 0.746E+00 -0.976E-02 -0.689E-02 +ILE 635 CG1 464 LEU 565 CA 196 0.650E+00 -0.363E-02 -0.143E-01 +ILE 635 CG1 464 LEU 565 C 197 0.691E+00 0.182E-01 -0.882E-02 +ILE 635 CG1 464 LEU 565 O 198 0.624E+00 -0.218E-01 -0.169E-01 +ILE 635 CG1 464 LEU 565 CB 199 0.686E+00 -0.465E-02 -0.104E-01 +ILE 635 CG1 464 LEU 565 CG 200 0.647E+00 0.696E-02 -0.146E-01 +ILE 635 CG1 464 LEU 565 CD1 201 0.695E+00 -0.387E-02 -0.959E-02 +ILE 635 CG1 464 LEU 565 CD2 202 0.505E+00 -0.769E-02 -0.599E-01 +ILE 635 CG1 464 LEU 566 N 204 0.825E+00 -0.816E-02 -0.379E-02 +ILE 635 CG1 464 LEU 566 CA 205 0.901E+00 -0.201E-02 -0.205E-02 +ILE 635 CG1 464 LEU 566 C 206 0.887E+00 0.117E-01 -0.199E-02 +ILE 635 CG1 464 LEU 566 O 207 0.889E+00 -0.113E-01 -0.205E-02 +ILE 635 CG1 464 GLN 567 N 213 0.893E+00 -0.779E-02 -0.235E-02 +ILE 635 CG1 464 GLN 567 CA 214 0.911E+00 0.721E-03 -0.191E-02 +ILE 635 CG1 464 GLN 567 C 215 0.799E+00 0.102E-01 -0.371E-02 +ILE 635 CG1 464 GLN 567 O 216 0.835E+00 -0.127E-01 -0.299E-02 +ILE 635 CG1 464 GLN 567 CB 217 0.965E+00 -0.571E-03 -0.136E-02 +ILE 635 CG1 464 LEU 568 N 225 0.674E+00 -0.119E-01 -0.126E-01 +ILE 635 CG1 464 LEU 568 CA 226 0.568E+00 -0.483E-02 -0.311E-01 +ILE 635 CG1 464 LEU 568 C 227 0.570E+00 0.272E-01 -0.270E-01 +ILE 635 CG1 464 LEU 568 O 228 0.599E+00 -0.237E-01 -0.214E-01 +ILE 635 CG1 464 LEU 568 CB 229 0.446E+00 -0.122E-01 -0.112E+00 +ILE 635 CG1 464 LEU 568 CG 230 0.502E+00 0.122E-01 -0.617E-01 +ILE 635 CG1 464 LEU 568 CD1 231 0.428E+00 -0.115E-01 -0.133E+00 +ILE 635 CG1 464 LEU 568 CD2 232 0.587E+00 -0.548E-02 -0.259E-01 +ILE 635 CG1 464 THR 569 N 234 0.596E+00 -0.106E-01 -0.259E-01 +ILE 635 CG1 464 THR 569 CA 235 0.655E+00 -0.959E-02 -0.136E-01 +ILE 635 CG1 464 THR 569 C 236 0.785E+00 0.140E-01 -0.412E-02 +ILE 635 CG1 464 THR 569 O 237 0.829E+00 -0.126E-01 -0.313E-02 +ILE 635 CG1 464 THR 569 CB 238 0.710E+00 0.719E-02 -0.847E-02 +ILE 635 CG1 464 THR 569 OG1 239 0.804E+00 -0.145E-01 -0.415E-02 +ILE 635 CG1 464 THR 569 CG2 240 0.619E+00 -0.700E-02 -0.190E-01 +ILE 635 CG1 464 THR 569 HG1 242 0.774E+00 0.104E-01 0.000E+00 +ILE 635 CG1 464 VAL 570 N 243 0.865E+00 -0.955E-02 -0.285E-02 +ILE 635 CG1 464 VAL 570 CA 244 0.996E+00 -0.885E-03 -0.112E-02 +ILE 635 CG1 464 VAL 570 C 245 0.994E+00 0.763E-02 -0.101E-02 +ILE 635 CG1 464 TRP 571 N 251 0.917E+00 -0.827E-02 -0.201E-02 +ILE 635 CG1 464 TRP 571 CA 252 0.933E+00 -0.376E-03 -0.166E-02 +ILE 635 CG1 464 TRP 571 C 253 0.908E+00 0.115E-01 -0.174E-02 +ILE 635 CG1 464 TRP 571 O 254 0.100E+01 -0.838E-02 -0.102E-02 +ILE 635 CG1 464 TRP 571 CB 255 0.860E+00 -0.210E-02 -0.270E-02 +ILE 635 CG1 464 TRP 571 CG 256 0.902E+00 -0.198E-02 -0.181E-02 +ILE 635 CG1 464 TRP 571 CD1 257 0.102E+01 -0.285E-02 -0.857E-03 +ILE 635 CG1 464 TRP 571 CD2 258 0.856E+00 0.194E-02 -0.246E-02 +ILE 635 CG1 464 TRP 571 CE2 260 0.964E+00 0.254E-02 -0.121E-02 +ILE 635 CG1 464 TRP 571 CE3 261 0.763E+00 -0.407E-02 -0.491E-02 +ILE 635 CG1 464 TRP 571 CZ2 262 0.988E+00 -0.363E-02 -0.104E-02 +ILE 635 CG1 464 TRP 571 CZ3 263 0.793E+00 -0.404E-02 -0.389E-02 +ILE 635 CG1 464 TRP 571 CH2 264 0.909E+00 -0.260E-02 -0.172E-02 +ILE 635 CG1 464 GLY 572 N 267 0.810E+00 -0.887E-02 -0.421E-02 +ILE 635 CG1 464 GLY 572 CA 268 0.813E+00 -0.304E-02 -0.378E-02 +ILE 635 CG1 464 GLY 572 C 269 0.947E+00 0.107E-01 -0.134E-02 +ILE 635 CG1 464 GLY 572 O 270 0.103E+01 -0.825E-02 -0.854E-03 +ILE 635 CG1 464 ILE 573 N 272 0.991E+00 -0.773E-02 -0.126E-02 +ILE 635 CG2 465 ALA 561 C 154 0.104E+01 -0.538E-01 -0.767E-03 +ILE 635 CG2 465 ALA 561 O 155 0.942E+00 0.607E-01 -0.146E-02 +ILE 635 CG2 465 GLN 562 CA 159 0.104E+01 -0.351E-02 -0.883E-03 +ILE 635 CG2 465 GLN 562 C 160 0.105E+01 -0.392E-01 -0.739E-03 +ILE 635 CG2 465 GLN 562 O 161 0.977E+00 0.585E-01 -0.117E-02 +ILE 635 CG2 465 HIS 564 CA 183 0.970E+00 -0.324E-02 -0.132E-02 +ILE 635 CG2 465 HIS 564 C 184 0.839E+00 -0.874E-01 -0.278E-02 +ILE 635 CG2 465 HIS 564 O 185 0.822E+00 0.723E-01 -0.329E-02 +ILE 635 CG2 465 HIS 564 CB 186 0.958E+00 0.162E-01 -0.141E-02 +ILE 635 CG2 465 LEU 565 N 195 0.775E+00 0.538E-01 -0.550E-02 +ILE 635 CG2 465 LEU 565 CA 196 0.666E+00 0.204E-01 -0.123E-01 +ILE 635 CG2 465 LEU 565 C 197 0.727E+00 -0.977E-01 -0.653E-02 +ILE 635 CG2 465 LEU 565 O 198 0.682E+00 0.108E+00 -0.100E-01 +ILE 635 CG2 465 LEU 565 CB 199 0.647E+00 0.308E-01 -0.146E-01 +ILE 635 CG2 465 LEU 565 CG 200 0.566E+00 -0.548E-01 -0.319E-01 +ILE 635 CG2 465 LEU 565 CD1 201 0.571E+00 0.344E-01 -0.303E-01 +ILE 635 CG2 465 LEU 565 CD2 202 0.432E+00 0.665E-01 -0.128E+00 +ILE 635 CG2 465 LEU 566 N 204 0.856E+00 0.453E-01 -0.304E-02 +ILE 635 CG2 465 LEU 566 CA 205 0.945E+00 0.110E-01 -0.154E-02 +ILE 635 CG2 465 LEU 566 C 206 0.969E+00 -0.600E-01 -0.117E-02 +ILE 635 CG2 465 LEU 566 O 207 0.982E+00 0.573E-01 -0.113E-02 +ILE 635 CG2 465 GLN 567 N 213 0.993E+00 0.391E-01 -0.124E-02 +ILE 635 CG2 465 GLN 567 CA 214 0.104E+01 -0.348E-02 -0.851E-03 +ILE 635 CG2 465 GLN 567 C 215 0.952E+00 -0.451E-01 -0.130E-02 +ILE 635 CG2 465 GLN 567 O 216 0.100E+01 0.561E-01 -0.990E-03 +ILE 635 CG2 465 LEU 568 N 225 0.822E+00 0.486E-01 -0.388E-02 +ILE 635 CG2 465 LEU 568 CA 226 0.743E+00 0.165E-01 -0.648E-02 +ILE 635 CG2 465 LEU 568 C 227 0.737E+00 -0.952E-01 -0.601E-02 +ILE 635 CG2 465 LEU 568 O 228 0.785E+00 0.827E-01 -0.434E-02 +ILE 635 CG2 465 LEU 568 CB 229 0.617E+00 0.340E-01 -0.192E-01 +ILE 635 CG2 465 LEU 568 CG 230 0.665E+00 -0.389E-01 -0.125E-01 +ILE 635 CG2 465 LEU 568 CD1 231 0.570E+00 0.345E-01 -0.306E-01 +ILE 635 CG2 465 LEU 568 CD2 232 0.777E+00 0.186E-01 -0.497E-02 +ILE 635 CG2 465 THR 569 N 234 0.724E+00 0.421E-01 -0.822E-02 +ILE 635 CG2 465 THR 569 CA 235 0.765E+00 0.420E-01 -0.542E-02 +ILE 635 CG2 465 THR 569 C 236 0.912E+00 -0.645E-01 -0.169E-02 +ILE 635 CG2 465 THR 569 O 237 0.959E+00 0.587E-01 -0.131E-02 +ILE 635 CG2 465 THR 569 CB 238 0.772E+00 -0.363E-01 -0.513E-02 +ILE 635 CG2 465 THR 569 OG1 239 0.864E+00 0.756E-01 -0.270E-02 +ILE 635 CG2 465 THR 569 CG2 240 0.645E+00 0.380E-01 -0.149E-01 +ILE 635 CG2 465 THR 569 HG1 242 0.841E+00 -0.532E-01 0.000E+00 +ILE 635 CG2 465 VAL 570 N 243 0.997E+00 0.452E-01 -0.122E-02 +ILE 635 CG2 465 TRP 571 CE3 261 0.991E+00 0.156E-01 -0.103E-02 +ILE 635 CG2 465 TRP 571 CZ3 263 0.102E+01 0.159E-01 -0.868E-03 +ILE 635 CG2 465 GLY 572 N 267 0.997E+00 0.375E-01 -0.121E-02 +ILE 635 CG2 465 GLY 572 CA 268 0.990E+00 0.131E-01 -0.116E-02 +ILE 635 CD1 466 ALA 561 C 154 0.973E+00 -0.461E-01 -0.114E-02 +ILE 635 CD1 466 ALA 561 O 155 0.857E+00 0.549E-01 -0.256E-02 +ILE 635 CD1 466 GLN 562 N 158 0.103E+01 0.287E-01 -0.982E-03 +ILE 635 CD1 466 GLN 562 CA 159 0.970E+00 -0.301E-02 -0.132E-02 +ILE 635 CD1 466 GLN 562 C 160 0.938E+00 -0.358E-01 -0.142E-02 +ILE 635 CD1 466 GLN 562 O 161 0.856E+00 0.560E-01 -0.258E-02 +ILE 635 CD1 466 GLN 563 N 170 0.103E+01 0.290E-01 -0.103E-02 +ILE 635 CD1 466 GLN 563 CA 171 0.103E+01 -0.274E-02 -0.898E-03 +ILE 635 CD1 466 GLN 563 C 172 0.919E+00 -0.370E-01 -0.161E-02 +ILE 635 CD1 466 GLN 563 O 173 0.880E+00 0.535E-01 -0.218E-02 +ILE 635 CD1 466 HIS 564 N 182 0.881E+00 0.499E-01 -0.255E-02 +ILE 635 CD1 466 HIS 564 CA 183 0.781E+00 -0.360E-02 -0.482E-02 +ILE 635 CD1 466 HIS 564 C 184 0.642E+00 -0.112E+00 -0.136E-01 +ILE 635 CD1 466 HIS 564 O 185 0.591E+00 0.106E+00 -0.233E-01 +ILE 635 CD1 466 HIS 564 CB 186 0.792E+00 0.172E-01 -0.442E-02 +ILE 635 CD1 466 HIS 564 CG 187 0.936E+00 -0.239E-01 -0.145E-02 +ILE 635 CD1 466 HIS 564 ND1 188 0.101E+01 0.326E-01 -0.116E-02 +ILE 635 CD1 466 HIS 564 CD2 189 0.103E+01 0.221E-01 -0.802E-03 +ILE 635 CD1 466 HIS 564 HD1 193 0.978E+00 -0.128E-01 -0.382E-04 +ILE 635 CD1 466 LEU 565 N 195 0.614E+00 0.660E-01 -0.218E-01 +ILE 635 CD1 466 LEU 565 CA 196 0.511E+00 0.282E-01 -0.561E-01 +ILE 635 CD1 466 LEU 565 C 197 0.543E+00 -0.139E+00 -0.358E-01 +ILE 635 CD1 466 LEU 565 O 198 0.474E+00 0.187E+00 -0.817E-01 +ILE 635 CD1 466 LEU 565 CB 199 0.559E+00 0.328E-01 -0.342E-01 +ILE 635 CD1 466 LEU 565 CG 200 0.544E+00 -0.465E-01 -0.398E-01 +ILE 635 CD1 466 LEU 565 CD1 201 0.602E+00 0.238E-01 -0.223E-01 +ILE 635 CD1 466 LEU 565 CD2 202 0.415E+00 0.573E-01 -0.150E+00 +ILE 635 CD1 466 LEU 566 N 204 0.676E+00 0.542E-01 -0.124E-01 +ILE 635 CD1 466 LEU 566 CA 205 0.750E+00 0.126E-01 -0.609E-02 +ILE 635 CD1 466 LEU 566 C 206 0.739E+00 -0.737E-01 -0.593E-02 +ILE 635 CD1 466 LEU 566 O 207 0.746E+00 0.705E-01 -0.589E-02 +ILE 635 CD1 466 LEU 566 CB 208 0.903E+00 0.131E-01 -0.202E-02 +ILE 635 CD1 466 LEU 566 CG 209 0.979E+00 -0.154E-01 -0.124E-02 +ILE 635 CD1 466 LEU 566 CD2 211 0.101E+01 0.939E-02 -0.102E-02 +ILE 635 CD1 466 GLN 567 N 213 0.747E+00 0.487E-01 -0.683E-02 +ILE 635 CD1 466 GLN 567 CA 214 0.774E+00 -0.437E-02 -0.508E-02 +ILE 635 CD1 466 GLN 567 C 215 0.670E+00 -0.651E-01 -0.106E-01 +ILE 635 CD1 466 GLN 567 O 216 0.716E+00 0.771E-01 -0.751E-02 +ILE 635 CD1 466 GLN 567 CB 217 0.834E+00 0.332E-02 -0.325E-02 +ILE 635 CD1 466 GLN 567 CG 218 0.967E+00 0.163E-02 -0.134E-02 +ILE 635 CD1 466 LEU 568 N 225 0.541E+00 0.871E-01 -0.453E-01 +ILE 635 CD1 466 LEU 568 CA 226 0.450E+00 0.384E-01 -0.108E+00 +ILE 635 CD1 466 LEU 568 C 227 0.457E+00 -0.210E+00 -0.888E-01 +ILE 635 CD1 466 LEU 568 O 228 0.510E+00 0.157E+00 -0.545E-01 +ILE 635 CD1 466 LEU 568 CB 229 0.326E+00 0.128E+00 0.256E+00 +ILE 635 CD1 466 LEU 568 CG 230 0.397E+00 -0.100E+00 -0.169E+00 +ILE 635 CD1 466 LEU 568 CD1 231 0.345E+00 0.940E-01 -0.521E-01 +ILE 635 CD1 466 LEU 568 CD2 232 0.506E+00 0.352E-01 -0.593E-01 +ILE 635 CD1 466 THR 569 N 234 0.470E+00 0.838E-01 -0.975E-01 +ILE 635 CD1 466 THR 569 CA 235 0.543E+00 0.659E-01 -0.402E-01 +ILE 635 CD1 466 THR 569 C 236 0.679E+00 -0.847E-01 -0.979E-02 +ILE 635 CD1 466 THR 569 O 237 0.739E+00 0.710E-01 -0.622E-02 +ILE 635 CD1 466 THR 569 CB 238 0.591E+00 -0.479E-01 -0.247E-01 +ILE 635 CD1 466 THR 569 OG1 239 0.672E+00 0.929E-01 -0.121E-01 +ILE 635 CD1 466 THR 569 CG2 240 0.502E+00 0.512E-01 -0.617E-01 +ILE 635 CD1 466 THR 569 HG1 242 0.634E+00 -0.702E-01 0.000E+00 +ILE 635 CD1 466 VAL 570 N 243 0.748E+00 0.566E-01 -0.680E-02 +ILE 635 CD1 466 VAL 570 CA 244 0.884E+00 0.489E-02 -0.229E-02 +ILE 635 CD1 466 VAL 570 C 245 0.897E+00 -0.410E-01 -0.186E-02 +ILE 635 CD1 466 VAL 570 O 246 0.992E+00 0.318E-01 -0.107E-02 +ILE 635 CD1 466 VAL 570 CB 247 0.965E+00 -0.323E-01 -0.135E-02 +ILE 635 CD1 466 VAL 570 CG2 249 0.992E+00 0.708E-02 -0.115E-02 +ILE 635 CD1 466 TRP 571 N 251 0.823E+00 0.453E-01 -0.383E-02 +ILE 635 CD1 466 TRP 571 CA 252 0.857E+00 0.198E-02 -0.275E-02 +ILE 635 CD1 466 TRP 571 C 253 0.849E+00 -0.587E-01 -0.259E-02 +ILE 635 CD1 466 TRP 571 O 254 0.953E+00 0.414E-01 -0.136E-02 +ILE 635 CD1 466 TRP 571 CB 255 0.792E+00 0.111E-01 -0.442E-02 +ILE 635 CD1 466 TRP 571 CG 256 0.857E+00 0.990E-02 -0.245E-02 +ILE 635 CD1 466 TRP 571 CD1 257 0.977E+00 0.140E-01 -0.112E-02 +ILE 635 CD1 466 TRP 571 CD2 258 0.833E+00 -0.934E-02 -0.290E-02 +ILE 635 CD1 466 TRP 571 NE1 259 0.103E+01 0.223E-01 -0.103E-02 +ILE 635 CD1 466 TRP 571 CE2 260 0.951E+00 -0.119E-01 -0.131E-02 +ILE 635 CD1 466 TRP 571 CE3 261 0.755E+00 0.190E-01 -0.521E-02 +ILE 635 CD1 466 TRP 571 CZ2 262 0.996E+00 0.165E-01 -0.994E-03 +ILE 635 CD1 466 TRP 571 CZ3 263 0.811E+00 0.178E-01 -0.341E-02 +ILE 635 CD1 466 TRP 571 CH2 264 0.932E+00 0.115E-01 -0.148E-02 +ILE 635 CD1 466 GLY 572 N 267 0.753E+00 0.464E-01 -0.650E-02 +ILE 635 CD1 466 GLY 572 CA 268 0.777E+00 0.151E-01 -0.496E-02 +ILE 635 CD1 466 GLY 572 C 269 0.908E+00 -0.523E-01 -0.173E-02 +ILE 635 CD1 466 GLY 572 O 270 0.100E+01 0.394E-01 -0.100E-02 +ILE 635 CD1 466 ILE 573 N 272 0.933E+00 0.389E-01 -0.181E-02 +ILE 635 CD1 466 ILE 573 CG1 277 0.102E+01 -0.166E-02 -0.978E-03 +ASN 636 N 468 ALA 561 O 155 0.967E+00 0.193E+00 -0.134E-02 +ASN 636 N 468 HIS 564 CA 183 0.103E+01 -0.985E-02 -0.101E-02 +ASN 636 N 468 HIS 564 C 184 0.935E+00 -0.242E+00 -0.158E-02 +ASN 636 N 468 HIS 564 O 185 0.938E+00 0.193E+00 -0.161E-02 +ASN 636 N 468 HIS 564 CB 186 0.960E+00 0.534E-01 -0.152E-02 +ASN 636 N 468 HIS 564 HD1 193 0.101E+01 -0.521E-01 -0.319E-04 +ASN 636 N 468 LEU 565 N 195 0.885E+00 0.142E+00 -0.270E-02 +ASN 636 N 468 LEU 565 CA 196 0.829E+00 0.449E-01 -0.366E-02 +ASN 636 N 468 LEU 565 C 197 0.940E+00 -0.208E+00 -0.153E-02 +ASN 636 N 468 LEU 565 O 198 0.929E+00 0.206E+00 -0.171E-02 +ASN 636 N 468 LEU 565 CB 199 0.817E+00 0.658E-01 -0.401E-02 +ASN 636 N 468 LEU 565 CG 200 0.703E+00 -0.115E+00 -0.981E-02 +ASN 636 N 468 LEU 565 CD1 201 0.748E+00 0.657E-01 -0.676E-02 +ASN 636 N 468 LEU 565 CD2 202 0.565E+00 0.116E+00 -0.352E-01 +ASN 636 N 468 LEU 568 N 225 0.102E+01 0.114E+00 -0.115E-02 +ASN 636 N 468 LEU 568 CA 226 0.947E+00 0.363E-01 -0.166E-02 +ASN 636 N 468 LEU 568 C 227 0.992E+00 -0.192E+00 -0.111E-02 +ASN 636 N 468 LEU 568 O 228 0.104E+01 0.174E+00 -0.862E-03 +ASN 636 N 468 LEU 568 CB 229 0.798E+00 0.685E-01 -0.461E-02 +ASN 636 N 468 LEU 568 CG 230 0.772E+00 -0.969E-01 -0.561E-02 +ASN 636 N 468 LEU 568 CD1 231 0.629E+00 0.923E-01 -0.188E-01 +ASN 636 N 468 LEU 568 CD2 232 0.852E+00 0.523E-01 -0.312E-02 +ASN 636 N 468 THR 569 N 234 0.101E+01 0.798E-01 -0.122E-02 +ASN 636 N 468 THR 569 CG2 240 0.991E+00 0.590E-01 -0.126E-02 +ASN 636 CA 469 ALA 561 O 155 0.101E+01 -0.189E-01 -0.949E-03 +ASN 636 CA 469 HIS 564 C 184 0.103E+01 0.220E-01 -0.817E-03 +ASN 636 CA 469 HIS 564 O 185 0.105E+01 -0.172E-01 -0.780E-03 +ASN 636 CA 469 HIS 564 CB 186 0.104E+01 -0.497E-02 -0.866E-03 +ASN 636 CA 469 LEU 565 N 195 0.969E+00 -0.129E-01 -0.145E-02 +ASN 636 CA 469 LEU 565 CA 196 0.916E+00 -0.399E-02 -0.185E-02 +ASN 636 CA 469 LEU 565 C 197 0.103E+01 0.189E-01 -0.794E-03 +ASN 636 CA 469 LEU 565 O 198 0.103E+01 -0.184E-01 -0.837E-03 +ASN 636 CA 469 LEU 565 CB 199 0.884E+00 -0.603E-02 -0.229E-02 +ASN 636 CA 469 LEU 565 CG 200 0.755E+00 0.106E-01 -0.588E-02 +ASN 636 CA 469 LEU 565 CD1 201 0.784E+00 -0.632E-02 -0.469E-02 +ASN 636 CA 469 LEU 565 CD2 202 0.633E+00 -0.955E-02 -0.167E-01 +ASN 636 CA 469 LEU 568 CB 229 0.931E+00 -0.556E-02 -0.169E-02 +ASN 636 CA 469 LEU 568 CG 230 0.902E+00 0.779E-02 -0.204E-02 +ASN 636 CA 469 LEU 568 CD1 231 0.757E+00 -0.673E-02 -0.579E-02 +ASN 636 CA 469 LEU 568 CD2 232 0.986E+00 -0.434E-02 -0.119E-02 +ASN 636 C 470 ALA 561 CA 153 0.104E+01 -0.126E-01 -0.785E-03 +ASN 636 C 470 ALA 561 C 154 0.102E+01 0.264E+00 -0.779E-03 +ASN 636 C 470 ALA 561 O 155 0.951E+00 -0.284E+00 -0.122E-02 +ASN 636 C 470 ALA 561 CB 156 0.983E+00 -0.112E+00 -0.108E-02 +ASN 636 C 470 HIS 564 C 184 0.101E+01 0.311E+00 -0.825E-03 +ASN 636 C 470 HIS 564 O 185 0.104E+01 -0.238E+00 -0.730E-03 +ASN 636 C 470 HIS 564 CB 186 0.985E+00 -0.737E-01 -0.106E-02 +ASN 636 C 470 HIS 564 HD1 193 0.981E+00 0.781E-01 -0.334E-04 +ASN 636 C 470 LEU 565 N 195 0.948E+00 -0.182E+00 -0.146E-02 +ASN 636 C 470 LEU 565 CA 196 0.917E+00 -0.547E-01 -0.164E-02 +ASN 636 C 470 LEU 565 C 197 0.105E+01 0.254E+00 -0.650E-03 +ASN 636 C 470 LEU 565 CB 199 0.884E+00 -0.827E-01 -0.203E-02 +ASN 636 C 470 LEU 565 CG 200 0.752E+00 0.146E+00 -0.534E-02 +ASN 636 C 470 LEU 565 CD1 201 0.796E+00 -0.844E-01 -0.382E-02 +ASN 636 C 470 LEU 565 CD2 202 0.643E+00 -0.127E+00 -0.134E-01 +ASN 636 C 470 LEU 568 CB 229 0.968E+00 -0.717E-01 -0.118E-02 +ASN 636 C 470 LEU 568 CG 230 0.918E+00 0.104E+00 -0.162E-02 +ASN 636 C 470 LEU 568 CD1 231 0.768E+00 -0.898E-01 -0.469E-02 +ASN 636 C 470 LEU 568 CD2 232 0.999E+00 -0.584E-01 -0.975E-03 +ASN 636 O 471 ALA 561 CA 153 0.100E+01 0.113E-01 -0.101E-02 +ASN 636 O 471 ALA 561 C 154 0.989E+00 -0.234E+00 -0.966E-03 +ASN 636 O 471 ALA 561 O 155 0.936E+00 0.247E+00 -0.136E-02 +ASN 636 O 471 ALA 561 CB 156 0.933E+00 0.103E+00 -0.154E-02 +ASN 636 O 471 HIS 564 C 184 0.104E+01 -0.253E+00 -0.721E-03 +ASN 636 O 471 HIS 564 CB 186 0.101E+01 0.605E-01 -0.970E-03 +ASN 636 O 471 HIS 564 HD1 193 0.994E+00 -0.650E-01 -0.258E-04 +ASN 636 O 471 LEU 565 N 195 0.968E+00 0.150E+00 -0.133E-02 +ASN 636 O 471 LEU 565 CA 196 0.940E+00 0.447E-01 -0.147E-02 +ASN 636 O 471 LEU 565 CB 199 0.891E+00 0.694E-01 -0.204E-02 +ASN 636 O 471 LEU 565 CG 200 0.750E+00 -0.125E+00 -0.570E-02 +ASN 636 O 471 LEU 565 CD1 201 0.781E+00 0.740E-01 -0.445E-02 +ASN 636 O 471 LEU 565 CD2 202 0.661E+00 0.102E+00 -0.120E-01 +ASN 636 O 471 LEU 568 CB 229 0.104E+01 0.547E-01 -0.795E-03 +ASN 636 O 471 LEU 568 CG 230 0.990E+00 -0.785E-01 -0.108E-02 +ASN 636 O 471 LEU 568 CD1 231 0.843E+00 0.649E-01 -0.283E-02 +ASN 636 CB 472 LEU 565 CB 199 0.103E+01 0.995E-02 -0.911E-03 +ASN 636 CB 472 LEU 565 CG 200 0.904E+00 -0.162E-01 -0.201E-02 +ASN 636 CB 472 LEU 565 CD1 201 0.927E+00 0.997E-02 -0.172E-02 +ASN 636 CB 472 LEU 565 CD2 202 0.779E+00 0.134E-01 -0.489E-02 +ASN 636 CB 472 LEU 568 CB 229 0.104E+01 0.985E-02 -0.873E-03 +ASN 636 CB 472 LEU 568 CG 230 0.101E+01 -0.136E-01 -0.101E-02 +ASN 636 CB 472 LEU 568 CD1 231 0.871E+00 0.110E-01 -0.251E-02 +ASN 636 CG 473 LEU 565 CG 200 0.943E+00 0.942E-01 -0.138E-02 +ASN 636 CG 473 LEU 565 CD1 201 0.952E+00 -0.595E-01 -0.131E-02 +ASN 636 CG 473 LEU 565 CD2 202 0.814E+00 -0.768E-01 -0.333E-02 +ASN 636 CG 473 LEU 568 CB 229 0.105E+01 -0.606E-01 -0.742E-03 +ASN 636 CG 473 LEU 568 CG 230 0.104E+01 0.811E-01 -0.756E-03 +ASN 636 CG 473 LEU 568 CD1 231 0.908E+00 -0.640E-01 -0.173E-02 +ASN 636 OD1 474 LEU 565 CB 199 0.102E+01 0.568E-01 -0.909E-03 +ASN 636 OD1 474 LEU 565 CG 200 0.895E+00 -0.923E-01 -0.198E-02 +ASN 636 OD1 474 LEU 565 CD1 201 0.886E+00 0.601E-01 -0.210E-02 +ASN 636 OD1 474 LEU 565 CD2 202 0.772E+00 0.761E-01 -0.479E-02 +ASN 636 OD1 474 LEU 568 CB 229 0.103E+01 0.558E-01 -0.846E-03 +ASN 636 OD1 474 LEU 568 CG 230 0.104E+01 -0.733E-01 -0.795E-03 +ASN 636 OD1 474 LEU 568 CD1 231 0.913E+00 0.573E-01 -0.175E-02 +ASN 636 ND2 475 LEU 565 CG 200 0.105E+01 -0.108E+00 -0.902E-03 +ASN 636 ND2 475 LEU 565 CD2 202 0.912E+00 0.851E-01 -0.208E-02 +ASN 636 ND2 475 LEU 568 CD1 231 0.957E+00 0.790E-01 -0.156E-02 +ASN 637 N 479 ALA 561 CA 153 0.101E+01 0.908E-02 -0.111E-02 +ASN 637 N 479 ALA 561 C 154 0.100E+01 -0.188E+00 -0.104E-02 +ASN 637 N 479 ALA 561 O 155 0.933E+00 0.204E+00 -0.167E-02 +ASN 637 N 479 ALA 561 CB 156 0.970E+00 0.795E-01 -0.143E-02 +ASN 637 N 479 HIS 564 CA 183 0.103E+01 -0.987E-02 -0.102E-02 +ASN 637 N 479 HIS 564 C 184 0.968E+00 -0.230E+00 -0.128E-02 +ASN 637 N 479 HIS 564 O 185 0.993E+00 0.177E+00 -0.115E-02 +ASN 637 N 479 HIS 564 CB 186 0.927E+00 0.564E-01 -0.189E-02 +ASN 637 N 479 HIS 564 CG 187 0.101E+01 -0.903E-01 -0.988E-03 +ASN 637 N 479 HIS 564 ND1 188 0.986E+00 0.143E+00 -0.141E-02 +ASN 637 N 479 HIS 564 HD1 193 0.903E+00 -0.619E-01 -0.629E-04 +ASN 637 N 479 LEU 565 N 195 0.925E+00 0.132E+00 -0.207E-02 +ASN 637 N 479 LEU 565 CA 196 0.908E+00 0.387E-01 -0.212E-02 +ASN 637 N 479 LEU 565 C 197 0.104E+01 -0.178E+00 -0.824E-03 +ASN 637 N 479 LEU 565 CB 199 0.895E+00 0.564E-01 -0.232E-02 +ASN 637 N 479 LEU 565 CG 200 0.776E+00 -0.961E-01 -0.545E-02 +ASN 637 N 479 LEU 565 CD1 201 0.843E+00 0.533E-01 -0.333E-02 +ASN 637 N 479 LEU 565 CD2 202 0.663E+00 0.830E-01 -0.139E-01 +ASN 637 N 479 LEU 568 CB 229 0.933E+00 0.529E-01 -0.181E-02 +ASN 637 N 479 LEU 568 CG 230 0.866E+00 -0.795E-01 -0.283E-02 +ASN 637 N 479 LEU 568 CD1 231 0.715E+00 0.715E-01 -0.885E-02 +ASN 637 N 479 LEU 568 CD2 232 0.932E+00 0.452E-01 -0.182E-02 +ASN 637 CA 480 ALA 561 CA 153 0.950E+00 -0.105E-02 -0.149E-02 +ASN 637 CA 480 ALA 561 C 154 0.961E+00 0.209E-01 -0.123E-02 +ASN 637 CA 480 ALA 561 O 155 0.900E+00 -0.226E-01 -0.191E-02 +ASN 637 CA 480 ALA 561 CB 156 0.902E+00 -0.932E-02 -0.203E-02 +ASN 637 CA 480 HIS 564 CA 183 0.101E+01 0.106E-02 -0.106E-02 +ASN 637 CA 480 HIS 564 C 184 0.968E+00 0.240E-01 -0.118E-02 +ASN 637 CA 480 HIS 564 O 185 0.100E+01 -0.182E-01 -0.995E-03 +ASN 637 CA 480 HIS 564 CB 186 0.891E+00 -0.629E-02 -0.219E-02 +ASN 637 CA 480 HIS 564 CG 187 0.957E+00 0.103E-01 -0.126E-02 +ASN 637 CA 480 HIS 564 ND1 188 0.914E+00 -0.168E-01 -0.204E-02 +ASN 637 CA 480 HIS 564 CE1 190 0.102E+01 0.872E-03 -0.856E-03 +ASN 637 CA 480 HIS 564 HD1 193 0.826E+00 0.751E-02 -0.106E-03 +ASN 637 CA 480 LEU 565 N 195 0.931E+00 -0.137E-01 -0.183E-02 +ASN 637 CA 480 LEU 565 CA 196 0.936E+00 -0.386E-02 -0.162E-02 +ASN 637 CA 480 LEU 565 CB 199 0.927E+00 -0.559E-02 -0.173E-02 +ASN 637 CA 480 LEU 565 CG 200 0.812E+00 0.928E-02 -0.382E-02 +ASN 637 CA 480 LEU 565 CD1 201 0.891E+00 -0.509E-02 -0.219E-02 +ASN 637 CA 480 LEU 565 CD2 202 0.715E+00 -0.748E-02 -0.809E-02 +ASN 637 CA 480 LEU 568 CB 229 0.990E+00 -0.506E-02 -0.117E-02 +ASN 637 CA 480 LEU 568 CG 230 0.903E+00 0.776E-02 -0.201E-02 +ASN 637 CA 480 LEU 568 CD1 231 0.755E+00 -0.676E-02 -0.587E-02 +ASN 637 CA 480 LEU 568 CD2 232 0.963E+00 -0.450E-02 -0.138E-02 +ASN 637 C 481 GLU 560 C 144 0.103E+01 0.214E+00 -0.734E-03 +ASN 637 C 481 GLU 560 O 145 0.100E+01 -0.280E+00 -0.889E-03 +ASN 637 C 481 ALA 561 N 152 0.945E+00 -0.209E+00 -0.149E-02 +ASN 637 C 481 ALA 561 CA 153 0.807E+00 -0.188E-01 -0.352E-02 +ASN 637 C 481 ALA 561 C 154 0.822E+00 0.370E+00 -0.279E-02 +ASN 637 C 481 ALA 561 O 155 0.770E+00 -0.404E+00 -0.431E-02 +ASN 637 C 481 ALA 561 CB 156 0.753E+00 -0.175E+00 -0.531E-02 +ASN 637 C 481 GLN 562 N 158 0.929E+00 -0.205E+00 -0.165E-02 +ASN 637 C 481 GLN 562 CA 159 0.978E+00 0.181E-01 -0.111E-02 +ASN 637 C 481 GLN 562 C 160 0.104E+01 0.188E+00 -0.680E-03 +ASN 637 C 481 HIS 564 N 182 0.978E+00 -0.259E+00 -0.121E-02 +ASN 637 C 481 HIS 564 CA 183 0.911E+00 0.170E-01 -0.169E-02 +ASN 637 C 481 HIS 564 C 184 0.883E+00 0.381E+00 -0.181E-02 +ASN 637 C 481 HIS 564 O 185 0.934E+00 -0.278E+00 -0.136E-02 +ASN 637 C 481 HIS 564 CB 186 0.796E+00 -0.104E+00 -0.381E-02 +ASN 637 C 481 HIS 564 CG 187 0.861E+00 0.167E+00 -0.211E-02 +ASN 637 C 481 HIS 564 ND1 188 0.817E+00 -0.277E+00 -0.354E-02 +ASN 637 C 481 HIS 564 CD2 189 0.998E+00 -0.142E+00 -0.872E-03 +ASN 637 C 481 HIS 564 CE1 190 0.926E+00 0.139E-01 -0.137E-02 +ASN 637 C 481 HIS 564 NE2 191 0.103E+01 -0.448E-01 -0.910E-03 +ASN 637 C 481 HIS 564 HD1 193 0.729E+00 0.129E+00 -0.198E-03 +ASN 637 C 481 LEU 565 N 195 0.836E+00 -0.224E+00 -0.309E-02 +ASN 637 C 481 LEU 565 CA 196 0.851E+00 -0.617E-01 -0.255E-02 +ASN 637 C 481 LEU 565 C 197 0.100E+01 0.272E+00 -0.862E-03 +ASN 637 C 481 LEU 565 O 198 0.104E+01 -0.248E+00 -0.693E-03 +ASN 637 C 481 LEU 565 CB 199 0.830E+00 -0.918E-01 -0.295E-02 +ASN 637 C 481 LEU 565 CG 200 0.714E+00 0.161E+00 -0.724E-02 +ASN 637 C 481 LEU 565 CD1 201 0.796E+00 -0.843E-01 -0.379E-02 +ASN 637 C 481 LEU 565 CD2 202 0.640E+00 -0.128E+00 -0.138E-01 +ASN 637 C 481 LEU 568 CB 229 0.968E+00 -0.718E-01 -0.118E-02 +ASN 637 C 481 LEU 568 CG 230 0.877E+00 0.112E+00 -0.213E-02 +ASN 637 C 481 LEU 568 CD1 231 0.734E+00 -0.978E-01 -0.616E-02 +ASN 637 C 481 LEU 568 CD2 232 0.951E+00 -0.630E-01 -0.132E-02 +ASN 637 O 482 ARG 557 O 113 0.995E+00 0.235E+00 -0.943E-03 +ASN 637 O 482 ALA 558 O 130 0.102E+01 0.217E+00 -0.804E-03 +ASN 637 O 482 GLU 560 C 144 0.100E+01 -0.188E+00 -0.880E-03 +ASN 637 O 482 GLU 560 O 145 0.994E+00 0.241E+00 -0.953E-03 +ASN 637 O 482 ALA 561 N 152 0.912E+00 0.188E+00 -0.190E-02 +ASN 637 O 482 ALA 561 CA 153 0.779E+00 0.169E-01 -0.452E-02 +ASN 637 O 482 ALA 561 C 154 0.813E+00 -0.320E+00 -0.311E-02 +ASN 637 O 482 ALA 561 O 155 0.779E+00 0.336E+00 -0.409E-02 +ASN 637 O 482 ALA 561 CB 156 0.708E+00 0.166E+00 -0.804E-02 +ASN 637 O 482 GLN 562 N 158 0.918E+00 0.178E+00 -0.184E-02 +ASN 637 O 482 GLN 562 CA 159 0.980E+00 -0.153E-01 -0.114E-02 +ASN 637 O 482 GLN 562 CG 163 0.105E+01 0.754E-02 -0.773E-03 +ASN 637 O 482 HIS 564 N 182 0.101E+01 0.210E+00 -0.105E-02 +ASN 637 O 482 HIS 564 CA 183 0.955E+00 -0.134E-01 -0.134E-02 +ASN 637 O 482 HIS 564 C 184 0.941E+00 -0.293E+00 -0.130E-02 +ASN 637 O 482 HIS 564 O 185 0.100E+01 0.212E+00 -0.898E-03 +ASN 637 O 482 HIS 564 CB 186 0.834E+00 0.817E-01 -0.302E-02 +ASN 637 O 482 HIS 564 CG 187 0.885E+00 -0.135E+00 -0.187E-02 +ASN 637 O 482 HIS 564 ND1 188 0.830E+00 0.229E+00 -0.336E-02 +ASN 637 O 482 HIS 564 CD2 189 0.102E+01 0.117E+00 -0.802E-03 +ASN 637 O 482 HIS 564 CE1 190 0.930E+00 -0.117E-01 -0.139E-02 +ASN 637 O 482 HIS 564 NE2 191 0.104E+01 0.375E-01 -0.885E-03 +ASN 637 O 482 HIS 564 HD1 193 0.740E+00 -0.106E+00 -0.152E-03 +ASN 637 O 482 LEU 565 N 195 0.890E+00 0.171E+00 -0.221E-02 +ASN 637 O 482 LEU 565 CA 196 0.915E+00 0.466E-01 -0.173E-02 +ASN 637 O 482 LEU 565 CB 199 0.884E+00 0.703E-01 -0.213E-02 +ASN 637 O 482 LEU 565 CG 200 0.766E+00 -0.120E+00 -0.501E-02 +ASN 637 O 482 LEU 565 CD1 201 0.842E+00 0.650E-01 -0.284E-02 +ASN 637 O 482 LEU 565 CD2 202 0.712E+00 0.878E-01 -0.772E-02 +ASN 637 O 482 LEU 568 CG 230 0.974E+00 -0.805E-01 -0.119E-02 +ASN 637 O 482 LEU 568 CD1 231 0.835E+00 0.659E-01 -0.299E-02 +ASN 637 O 482 LEU 568 CD2 232 0.105E+01 0.463E-01 -0.765E-03 +ASN 637 CB 483 ALA 561 CA 153 0.955E+00 0.217E-02 -0.144E-02 +ASN 637 CB 483 ALA 561 C 154 0.974E+00 -0.428E-01 -0.114E-02 +ASN 637 CB 483 ALA 561 O 155 0.907E+00 0.466E-01 -0.182E-02 +ASN 637 CB 483 ALA 561 CB 156 0.926E+00 0.187E-01 -0.173E-02 +ASN 637 CB 483 HIS 564 CA 183 0.965E+00 -0.236E-02 -0.135E-02 +ASN 637 CB 483 HIS 564 C 184 0.940E+00 -0.526E-01 -0.141E-02 +ASN 637 CB 483 HIS 564 O 185 0.967E+00 0.402E-01 -0.125E-02 +ASN 637 CB 483 HIS 564 CB 186 0.843E+00 0.144E-01 -0.305E-02 +ASN 637 CB 483 HIS 564 CG 187 0.896E+00 -0.238E-01 -0.188E-02 +ASN 637 CB 483 HIS 564 ND1 188 0.845E+00 0.398E-01 -0.326E-02 +ASN 637 CB 483 HIS 564 CD2 189 0.103E+01 0.207E-01 -0.823E-03 +ASN 637 CB 483 HIS 564 CE1 190 0.945E+00 -0.204E-02 -0.136E-02 +ASN 637 CB 483 HIS 564 NE2 191 0.105E+01 0.662E-02 -0.903E-03 +ASN 637 CB 483 HIS 564 HD1 193 0.757E+00 -0.183E-01 -0.178E-03 +ASN 637 CB 483 LEU 565 N 195 0.923E+00 0.290E-01 -0.193E-02 +ASN 637 CB 483 LEU 565 CA 196 0.944E+00 0.797E-02 -0.155E-02 +ASN 637 CB 483 LEU 565 CB 199 0.957E+00 0.111E-01 -0.142E-02 +ASN 637 CB 483 LEU 565 CG 200 0.861E+00 -0.175E-01 -0.269E-02 +ASN 637 CB 483 LEU 565 CD1 201 0.960E+00 0.945E-02 -0.140E-02 +ASN 637 CB 483 LEU 565 CD2 202 0.761E+00 0.139E-01 -0.559E-02 +ASN 637 CB 483 LEU 568 CB 229 0.958E+00 0.111E-01 -0.141E-02 +ASN 637 CB 483 LEU 568 CG 230 0.856E+00 -0.177E-01 -0.277E-02 +ASN 637 CB 483 LEU 568 CD1 231 0.714E+00 0.157E-01 -0.820E-02 +ASN 637 CB 483 LEU 568 CD2 232 0.894E+00 0.106E-01 -0.214E-02 +ASN 637 CG 484 HIS 564 CB 186 0.959E+00 -0.727E-01 -0.125E-02 +ASN 637 CG 484 HIS 564 CG 187 0.101E+01 0.124E+00 -0.830E-03 +ASN 637 CG 484 HIS 564 ND1 188 0.953E+00 -0.204E+00 -0.141E-02 +ASN 637 CG 484 HIS 564 CE1 190 0.105E+01 0.109E-01 -0.657E-03 +ASN 637 CG 484 HIS 564 HD1 193 0.867E+00 0.898E-01 -0.700E-04 +ASN 637 CG 484 LEU 565 N 195 0.105E+01 -0.149E+00 -0.799E-03 +ASN 637 CG 484 LEU 565 CG 200 0.997E+00 0.867E-01 -0.992E-03 +ASN 637 CG 484 LEU 565 CD2 202 0.886E+00 -0.666E-01 -0.200E-02 +ASN 637 CG 484 LEU 568 CB 229 0.103E+01 -0.622E-01 -0.830E-03 +ASN 637 CG 484 LEU 568 CG 230 0.926E+00 0.968E-01 -0.154E-02 +ASN 637 CG 484 LEU 568 CD1 231 0.788E+00 -0.814E-01 -0.405E-02 +ASN 637 CG 484 LEU 568 CD2 232 0.944E+00 -0.602E-01 -0.137E-02 +ASN 637 OD1 485 HIS 564 HD1 193 0.983E+00 -0.665E-01 -0.277E-04 +ASN 637 OD1 485 LEU 565 CD2 202 0.956E+00 0.533E-01 -0.133E-02 +ASN 637 OD1 485 LEU 568 CG 230 0.103E+01 -0.749E-01 -0.869E-03 +ASN 637 OD1 485 LEU 568 CD1 231 0.885E+00 0.602E-01 -0.212E-02 +ASN 637 OD1 485 LEU 568 CD2 232 0.105E+01 0.466E-01 -0.768E-03 +ASN 637 ND2 486 HIS 564 C 184 0.105E+01 -0.373E+00 -0.813E-03 +ASN 637 ND2 486 HIS 564 O 185 0.105E+01 0.297E+00 -0.825E-03 +ASN 637 ND2 486 HIS 564 CB 186 0.945E+00 0.996E-01 -0.168E-02 +ASN 637 ND2 486 HIS 564 CG 187 0.983E+00 -0.171E+00 -0.118E-02 +ASN 637 ND2 486 HIS 564 ND1 188 0.929E+00 0.284E+00 -0.201E-02 +ASN 637 ND2 486 HIS 564 CE1 190 0.102E+01 -0.153E-01 -0.969E-03 +ASN 637 ND2 486 HIS 564 HD1 193 0.848E+00 -0.125E+00 -0.915E-04 +ASN 637 ND2 486 LEU 565 CG 200 0.104E+01 -0.108E+00 -0.918E-03 +ASN 637 ND2 486 LEU 565 CD2 202 0.932E+00 0.822E-01 -0.182E-02 +ASN 637 ND2 486 LEU 568 CB 229 0.100E+01 0.862E-01 -0.117E-02 +ASN 637 ND2 486 LEU 568 CG 230 0.895E+00 -0.137E+00 -0.232E-02 +ASN 637 ND2 486 LEU 568 CD1 231 0.767E+00 0.114E+00 -0.583E-02 +ASN 637 ND2 486 LEU 568 CD2 232 0.892E+00 0.882E-01 -0.236E-02 +TYR 638 N 490 ARG 557 O 113 0.101E+01 0.213E+00 -0.102E-02 +TYR 638 N 490 ALA 558 O 130 0.993E+00 0.210E+00 -0.115E-02 +TYR 638 N 490 GLU 560 C 144 0.944E+00 -0.192E+00 -0.150E-02 +TYR 638 N 490 GLU 560 O 145 0.909E+00 0.257E+00 -0.194E-02 +TYR 638 N 490 ALA 561 N 152 0.869E+00 0.189E+00 -0.301E-02 +TYR 638 N 490 ALA 561 CA 153 0.727E+00 0.179E-01 -0.805E-02 +TYR 638 N 490 ALA 561 C 154 0.724E+00 -0.367E+00 -0.728E-02 +TYR 638 N 490 ALA 561 O 155 0.660E+00 0.428E+00 -0.131E-01 +TYR 638 N 490 ALA 561 CB 156 0.690E+00 0.163E+00 -0.110E-01 +TYR 638 N 490 GLN 562 N 158 0.832E+00 0.195E+00 -0.392E-02 +TYR 638 N 490 GLN 562 CA 159 0.870E+00 -0.172E-01 -0.275E-02 +TYR 638 N 490 GLN 562 C 160 0.924E+00 -0.177E+00 -0.171E-02 +TYR 638 N 490 GLN 562 O 161 0.933E+00 0.235E+00 -0.166E-02 +TYR 638 N 490 GLN 562 CB 162 0.993E+00 0.121E-01 -0.124E-02 +TYR 638 N 490 GLN 562 CG 163 0.968E+00 0.788E-02 -0.145E-02 +TYR 638 N 490 GLN 563 N 170 0.983E+00 0.149E+00 -0.144E-02 +TYR 638 N 490 GLN 563 C 172 0.971E+00 -0.164E+00 -0.126E-02 +TYR 638 N 490 GLN 563 O 173 0.102E+01 0.206E+00 -0.968E-03 +TYR 638 N 490 HIS 564 N 182 0.860E+00 0.251E+00 -0.321E-02 +TYR 638 N 490 HIS 564 CA 183 0.791E+00 -0.170E-01 -0.487E-02 +TYR 638 N 490 HIS 564 C 184 0.754E+00 -0.396E+00 -0.572E-02 +TYR 638 N 490 HIS 564 O 185 0.805E+00 0.281E+00 -0.403E-02 +TYR 638 N 490 HIS 564 CB 186 0.683E+00 0.110E+00 -0.117E-01 +TYR 638 N 490 HIS 564 CG 187 0.762E+00 -0.163E+00 -0.538E-02 +TYR 638 N 490 HIS 564 ND1 188 0.734E+00 0.266E+00 -0.824E-02 +TYR 638 N 490 HIS 564 CD2 189 0.900E+00 0.131E+00 -0.199E-02 +TYR 638 N 490 HIS 564 CE1 190 0.851E+00 -0.126E-01 -0.279E-02 +TYR 638 N 490 HIS 564 NE2 191 0.941E+00 0.403E-01 -0.188E-02 +TYR 638 N 490 HIS 564 HD1 193 0.651E+00 -0.127E+00 -0.445E-03 +TYR 638 N 490 LEU 565 N 195 0.705E+00 0.241E+00 -0.105E-01 +TYR 638 N 490 LEU 565 CA 196 0.718E+00 0.662E-01 -0.867E-02 +TYR 638 N 490 LEU 565 C 197 0.866E+00 -0.269E+00 -0.250E-02 +TYR 638 N 490 LEU 565 O 198 0.912E+00 0.241E+00 -0.191E-02 +TYR 638 N 490 LEU 565 CB 199 0.702E+00 0.987E-01 -0.992E-02 +TYR 638 N 490 LEU 565 CG 200 0.591E+00 -0.187E+00 -0.271E-01 +TYR 638 N 490 LEU 565 CD1 201 0.684E+00 0.884E-01 -0.115E-01 +TYR 638 N 490 LEU 565 CD2 202 0.515E+00 0.163E+00 -0.594E-01 +TYR 638 N 490 LEU 566 N 204 0.959E+00 0.142E+00 -0.166E-02 +TYR 638 N 490 LEU 568 N 225 0.101E+01 0.132E+00 -0.125E-02 +TYR 638 N 490 LEU 568 CA 226 0.989E+00 0.385E-01 -0.128E-02 +TYR 638 N 490 LEU 568 CB 229 0.845E+00 0.704E-01 -0.327E-02 +TYR 638 N 490 LEU 568 CG 230 0.757E+00 -0.114E+00 -0.632E-02 +TYR 638 N 490 LEU 568 CD1 231 0.616E+00 0.109E+00 -0.213E-01 +TYR 638 N 490 LEU 568 CD2 232 0.840E+00 0.608E-01 -0.340E-02 +TYR 638 CA 491 ARG 557 C 112 0.981E+00 0.577E-02 -0.109E-02 +TYR 638 CA 491 ARG 557 O 113 0.881E+00 -0.541E-02 -0.218E-02 +TYR 638 CA 491 ALA 558 N 127 0.102E+01 -0.302E-02 -0.105E-02 +TYR 638 CA 491 ALA 558 CA 128 0.953E+00 -0.232E-03 -0.146E-02 +TYR 638 CA 491 ALA 558 C 129 0.944E+00 0.478E-02 -0.137E-02 +TYR 638 CA 491 ALA 558 O 130 0.849E+00 -0.552E-02 -0.271E-02 +TYR 638 CA 491 ALA 558 CB 131 0.105E+01 -0.165E-02 -0.825E-03 +TYR 638 CA 491 ILE 559 C 135 0.102E+01 0.428E-02 -0.888E-03 +TYR 638 CA 491 ILE 559 O 136 0.987E+00 -0.486E-02 -0.110E-02 +TYR 638 CA 491 GLU 560 N 142 0.100E+01 -0.324E-02 -0.118E-02 +TYR 638 CA 491 GLU 560 CA 143 0.961E+00 0.261E-03 -0.139E-02 +TYR 638 CA 491 GLU 560 C 144 0.815E+00 0.501E-02 -0.330E-02 +TYR 638 CA 491 GLU 560 O 145 0.788E+00 -0.672E-02 -0.424E-02 +TYR 638 CA 491 GLU 560 CB 146 0.100E+01 0.574E-03 -0.107E-02 +TYR 638 CA 491 ALA 561 N 152 0.735E+00 -0.521E-02 -0.754E-02 +TYR 638 CA 491 ALA 561 CA 153 0.591E+00 -0.558E-03 -0.248E-01 +TYR 638 CA 491 ALA 561 C 154 0.587E+00 0.115E-01 -0.228E-01 +TYR 638 CA 491 ALA 561 O 155 0.532E+00 -0.140E-01 -0.427E-01 +TYR 638 CA 491 ALA 561 CB 156 0.551E+00 -0.536E-02 -0.372E-01 +TYR 638 CA 491 GLN 562 N 158 0.692E+00 -0.558E-02 -0.107E-01 +TYR 638 CA 491 GLN 562 CA 159 0.736E+00 0.474E-03 -0.682E-02 +TYR 638 CA 491 GLN 562 C 160 0.799E+00 0.463E-02 -0.372E-02 +TYR 638 CA 491 GLN 562 O 161 0.819E+00 -0.598E-02 -0.337E-02 +TYR 638 CA 491 GLN 562 CB 162 0.857E+00 -0.313E-03 -0.275E-02 +TYR 638 CA 491 GLN 562 CG 163 0.830E+00 -0.207E-03 -0.333E-02 +TYR 638 CA 491 GLN 562 CD 164 0.967E+00 0.540E-02 -0.119E-02 +TYR 638 CA 491 GLN 562 NE2 166 0.983E+00 -0.696E-02 -0.132E-02 +TYR 638 CA 491 GLN 563 N 170 0.858E+00 -0.378E-02 -0.298E-02 +TYR 638 CA 491 GLN 563 CA 171 0.940E+00 0.312E-03 -0.159E-02 +TYR 638 CA 491 GLN 563 C 172 0.868E+00 0.401E-02 -0.226E-02 +TYR 638 CA 491 GLN 563 O 173 0.929E+00 -0.486E-02 -0.158E-02 +TYR 638 CA 491 GLN 563 CB 174 0.103E+01 -0.237E-03 -0.940E-03 +TYR 638 CA 491 HIS 564 N 182 0.759E+00 -0.639E-02 -0.622E-02 +TYR 638 CA 491 HIS 564 CA 183 0.709E+00 0.427E-03 -0.855E-02 +TYR 638 CA 491 HIS 564 C 184 0.682E+00 0.983E-02 -0.955E-02 +TYR 638 CA 491 HIS 564 O 185 0.750E+00 -0.654E-02 -0.567E-02 +TYR 638 CA 491 HIS 564 CB 186 0.605E+00 -0.288E-02 -0.217E-01 +TYR 638 CA 491 HIS 564 CG 187 0.684E+00 0.409E-02 -0.932E-02 +TYR 638 CA 491 HIS 564 ND1 188 0.662E+00 -0.667E-02 -0.140E-01 +TYR 638 CA 491 HIS 564 CD2 189 0.821E+00 -0.314E-02 -0.317E-02 +TYR 638 CA 491 HIS 564 CE1 190 0.779E+00 0.300E-03 -0.433E-02 +TYR 638 CA 491 HIS 564 NE2 191 0.864E+00 -0.947E-03 -0.287E-02 +TYR 638 CA 491 HIS 564 HD1 193 0.584E+00 0.328E-02 -0.843E-03 +TYR 638 CA 491 LEU 565 N 195 0.620E+00 -0.639E-02 -0.206E-01 +TYR 638 CA 491 LEU 565 CA 196 0.643E+00 -0.168E-02 -0.151E-01 +TYR 638 CA 491 LEU 565 C 197 0.796E+00 0.637E-02 -0.379E-02 +TYR 638 CA 491 LEU 565 O 198 0.858E+00 -0.545E-02 -0.254E-02 +TYR 638 CA 491 LEU 565 CB 199 0.614E+00 -0.265E-02 -0.200E-01 +TYR 638 CA 491 LEU 565 CG 200 0.506E+00 0.543E-02 -0.593E-01 +TYR 638 CA 491 LEU 565 CD1 201 0.602E+00 -0.235E-02 -0.222E-01 +TYR 638 CA 491 LEU 565 CD2 202 0.464E+00 -0.429E-02 -0.928E-01 +TYR 638 CA 491 LEU 566 N 204 0.876E+00 -0.335E-02 -0.264E-02 +TYR 638 CA 491 LEU 566 CA 205 0.102E+01 -0.754E-03 -0.969E-03 +TYR 638 CA 491 GLN 567 N 213 0.104E+01 -0.281E-02 -0.948E-03 +TYR 638 CA 491 LEU 568 N 225 0.977E+00 -0.282E-02 -0.137E-02 +TYR 638 CA 491 LEU 568 CA 226 0.979E+00 -0.802E-03 -0.125E-02 +TYR 638 CA 491 LEU 568 CB 229 0.843E+00 -0.145E-02 -0.304E-02 +TYR 638 CA 491 LEU 568 CG 230 0.755E+00 0.235E-02 -0.586E-02 +TYR 638 CA 491 LEU 568 CD1 231 0.628E+00 -0.216E-02 -0.174E-01 +TYR 638 CA 491 LEU 568 CD2 232 0.851E+00 -0.122E-02 -0.288E-02 +TYR 638 C 492 ARG 557 C 112 0.970E+00 0.365E+00 -0.103E-02 +TYR 638 C 492 ARG 557 O 113 0.879E+00 -0.338E+00 -0.196E-02 +TYR 638 C 492 ALA 558 N 127 0.991E+00 -0.196E+00 -0.112E-02 +TYR 638 C 492 ALA 558 CA 128 0.907E+00 -0.156E-01 -0.174E-02 +TYR 638 C 492 ALA 558 C 129 0.904E+00 0.318E+00 -0.157E-02 +TYR 638 C 492 ALA 558 O 130 0.808E+00 -0.374E+00 -0.322E-02 +TYR 638 C 492 ALA 558 CB 131 0.985E+00 -0.112E+00 -0.106E-02 +TYR 638 C 492 ILE 559 N 133 0.102E+01 -0.208E+00 -0.919E-03 +TYR 638 C 492 ILE 559 C 135 0.101E+01 0.268E+00 -0.804E-03 +TYR 638 C 492 ILE 559 O 136 0.988E+00 -0.302E+00 -0.968E-03 +TYR 638 C 492 GLU 560 N 142 0.101E+01 -0.199E+00 -0.990E-03 +TYR 638 C 492 GLU 560 CA 143 0.991E+00 0.155E-01 -0.102E-02 +TYR 638 C 492 GLU 560 C 144 0.849E+00 0.291E+00 -0.229E-02 +TYR 638 C 492 GLU 560 O 145 0.836E+00 -0.377E+00 -0.264E-02 +TYR 638 C 492 GLU 560 CB 146 0.104E+01 0.337E-01 -0.748E-03 +TYR 638 C 492 ALA 561 N 152 0.755E+00 -0.308E+00 -0.569E-02 +TYR 638 C 492 ALA 561 CA 153 0.612E+00 -0.322E-01 -0.179E-01 +TYR 638 C 492 ALA 561 C 154 0.596E+00 0.694E+00 -0.185E-01 +TYR 638 C 492 ALA 561 O 155 0.557E+00 -0.785E+00 -0.292E-01 +TYR 638 C 492 ALA 561 CB 156 0.547E+00 -0.339E+00 -0.343E-01 +TYR 638 C 492 GLN 562 N 158 0.680E+00 -0.359E+00 -0.106E-01 +TYR 638 C 492 GLN 562 CA 159 0.714E+00 0.313E-01 -0.728E-02 +TYR 638 C 492 GLN 562 C 160 0.797E+00 0.289E+00 -0.334E-02 +TYR 638 C 492 GLN 562 O 161 0.816E+00 -0.374E+00 -0.304E-02 +TYR 638 C 492 GLN 562 CB 162 0.816E+00 -0.212E-01 -0.327E-02 +TYR 638 C 492 GLN 562 CG 163 0.766E+00 -0.148E-01 -0.478E-02 +TYR 638 C 492 GLN 562 CD 164 0.892E+00 0.381E+00 -0.171E-02 +TYR 638 C 492 GLN 562 OE1 165 0.998E+00 -0.301E+00 -0.910E-03 +TYR 638 C 492 GLN 562 NE2 166 0.891E+00 -0.505E+00 -0.212E-02 +TYR 638 C 492 GLN 563 N 170 0.872E+00 -0.229E+00 -0.240E-02 +TYR 638 C 492 GLN 563 CA 171 0.969E+00 0.185E-01 -0.117E-02 +TYR 638 C 492 GLN 563 C 172 0.914E+00 0.230E+00 -0.147E-02 +TYR 638 C 492 GLN 563 O 173 0.978E+00 -0.279E+00 -0.103E-02 +TYR 638 C 492 HIS 564 N 182 0.817E+00 -0.349E+00 -0.354E-02 +TYR 638 C 492 HIS 564 CA 183 0.786E+00 0.219E-01 -0.410E-02 +TYR 638 C 492 HIS 564 C 184 0.748E+00 0.512E+00 -0.488E-02 +TYR 638 C 492 HIS 564 O 185 0.823E+00 -0.345E+00 -0.290E-02 +TYR 638 C 492 HIS 564 CB 186 0.699E+00 -0.133E+00 -0.820E-02 +TYR 638 C 492 HIS 564 CG 187 0.787E+00 0.196E+00 -0.360E-02 +TYR 638 C 492 HIS 564 ND1 188 0.773E+00 -0.308E+00 -0.493E-02 +TYR 638 C 492 HIS 564 CD2 189 0.919E+00 -0.162E+00 -0.143E-02 +TYR 638 C 492 HIS 564 CE1 190 0.889E+00 0.149E-01 -0.174E-02 +TYR 638 C 492 HIS 564 NE2 191 0.968E+00 -0.492E-01 -0.129E-02 +TYR 638 C 492 HIS 564 HD1 193 0.702E+00 0.140E+00 -0.249E-03 +TYR 638 C 492 LEU 565 N 195 0.663E+00 -0.346E+00 -0.122E-01 +TYR 638 C 492 LEU 565 CA 196 0.667E+00 -0.974E-01 -0.109E-01 +TYR 638 C 492 LEU 565 C 197 0.816E+00 0.380E+00 -0.291E-02 +TYR 638 C 492 LEU 565 O 198 0.879E+00 -0.326E+00 -0.195E-02 +TYR 638 C 492 LEU 565 CB 199 0.603E+00 -0.171E+00 -0.196E-01 +TYR 638 C 492 LEU 565 CG 200 0.473E+00 0.397E+00 -0.746E-01 +TYR 638 C 492 LEU 565 CD1 201 0.535E+00 -0.190E+00 -0.387E-01 +TYR 638 C 492 LEU 565 CD2 202 0.451E+00 -0.286E+00 -0.945E-01 +TYR 638 C 492 LEU 566 N 204 0.892E+00 -0.202E+00 -0.210E-02 +TYR 638 C 492 LEU 566 CA 205 0.104E+01 -0.459E-01 -0.786E-03 +TYR 638 C 492 LEU 568 N 225 0.104E+01 -0.160E+00 -0.839E-03 +TYR 638 C 492 LEU 568 CA 226 0.104E+01 -0.455E-01 -0.757E-03 +TYR 638 C 492 LEU 568 CB 229 0.908E+00 -0.798E-01 -0.173E-02 +TYR 638 C 492 LEU 568 CG 230 0.840E+00 0.121E+00 -0.275E-02 +TYR 638 C 492 LEU 568 CD1 231 0.716E+00 -0.103E+00 -0.715E-02 +TYR 638 C 492 LEU 568 CD2 232 0.951E+00 -0.634E-01 -0.131E-02 +TYR 638 O 493 ARG 557 CA 111 0.991E+00 0.538E-01 -0.107E-02 +TYR 638 O 493 ARG 557 C 112 0.869E+00 -0.368E+00 -0.209E-02 +TYR 638 O 493 ARG 557 O 113 0.785E+00 0.347E+00 -0.392E-02 +TYR 638 O 493 ARG 557 CB 114 0.100E+01 0.150E-01 -0.101E-02 +TYR 638 O 493 ALA 558 N 127 0.883E+00 0.199E+00 -0.231E-02 +TYR 638 O 493 ALA 558 CA 128 0.798E+00 0.163E-01 -0.392E-02 +TYR 638 O 493 ALA 558 C 129 0.806E+00 -0.327E+00 -0.327E-02 +TYR 638 O 493 ALA 558 O 130 0.717E+00 0.394E+00 -0.674E-02 +TYR 638 O 493 ALA 558 CB 131 0.872E+00 0.115E+00 -0.232E-02 +TYR 638 O 493 ILE 559 N 133 0.930E+00 0.204E+00 -0.169E-02 +TYR 638 O 493 ILE 559 CA 134 0.985E+00 0.423E-01 -0.111E-02 +TYR 638 O 493 ILE 559 C 135 0.940E+00 -0.253E+00 -0.131E-02 +TYR 638 O 493 ILE 559 O 136 0.929E+00 0.281E+00 -0.143E-02 +TYR 638 O 493 GLU 560 N 142 0.939E+00 0.189E+00 -0.161E-02 +TYR 638 O 493 GLU 560 CA 143 0.931E+00 -0.144E-01 -0.156E-02 +TYR 638 O 493 GLU 560 C 144 0.796E+00 -0.275E+00 -0.353E-02 +TYR 638 O 493 GLU 560 O 145 0.800E+00 0.344E+00 -0.349E-02 +TYR 638 O 493 GLU 560 CB 146 0.983E+00 -0.312E-01 -0.113E-02 +TYR 638 O 493 ALA 561 N 152 0.690E+00 0.309E+00 -0.101E-01 +TYR 638 O 493 ALA 561 CA 153 0.554E+00 0.339E-01 -0.339E-01 +TYR 638 O 493 ALA 561 C 154 0.551E+00 -0.698E+00 -0.310E-01 +TYR 638 O 493 ALA 561 O 155 0.537E+00 0.721E+00 -0.371E-01 +TYR 638 O 493 ALA 561 CB 156 0.465E+00 0.420E+00 -0.903E-01 +TYR 638 O 493 GLN 562 N 158 0.625E+00 0.361E+00 -0.181E-01 +TYR 638 O 493 GLN 562 CA 159 0.672E+00 -0.298E-01 -0.109E-01 +TYR 638 O 493 GLN 562 C 160 0.773E+00 -0.258E+00 -0.420E-02 +TYR 638 O 493 GLN 562 O 161 0.808E+00 0.323E+00 -0.329E-02 +TYR 638 O 493 GLN 562 CB 162 0.763E+00 0.202E-01 -0.512E-02 +TYR 638 O 493 GLN 562 CG 163 0.699E+00 0.149E-01 -0.862E-02 +TYR 638 O 493 GLN 562 CD 164 0.820E+00 -0.371E+00 -0.295E-02 +TYR 638 O 493 GLN 562 OE1 165 0.925E+00 0.286E+00 -0.146E-02 +TYR 638 O 493 GLN 562 NE2 166 0.820E+00 0.492E+00 -0.362E-02 +TYR 638 O 493 GLN 563 N 170 0.845E+00 0.205E+00 -0.302E-02 +TYR 638 O 493 GLN 563 CA 171 0.954E+00 -0.161E-01 -0.135E-02 +TYR 638 O 493 GLN 563 C 172 0.917E+00 -0.194E+00 -0.152E-02 +TYR 638 O 493 GLN 563 O 173 0.992E+00 0.231E+00 -0.959E-03 +TYR 638 O 493 GLN 563 CB 174 0.104E+01 0.122E-01 -0.793E-03 +TYR 638 O 493 HIS 564 N 182 0.822E+00 0.292E+00 -0.354E-02 +TYR 638 O 493 HIS 564 CA 183 0.812E+00 -0.175E-01 -0.354E-02 +TYR 638 O 493 HIS 564 C 184 0.788E+00 -0.394E+00 -0.374E-02 +TYR 638 O 493 HIS 564 O 185 0.876E+00 0.263E+00 -0.203E-02 +TYR 638 O 493 HIS 564 CB 186 0.727E+00 0.105E+00 -0.685E-02 +TYR 638 O 493 HIS 564 CG 187 0.802E+00 -0.161E+00 -0.337E-02 +TYR 638 O 493 HIS 564 ND1 188 0.783E+00 0.255E+00 -0.474E-02 +TYR 638 O 493 HIS 564 CD2 189 0.928E+00 0.135E+00 -0.141E-02 +TYR 638 O 493 HIS 564 CE1 190 0.891E+00 -0.126E-01 -0.180E-02 +TYR 638 O 493 HIS 564 NE2 191 0.970E+00 0.415E-01 -0.132E-02 +TYR 638 O 493 HIS 564 HD1 193 0.715E+00 -0.114E+00 -0.187E-03 +TYR 638 O 493 LEU 565 N 195 0.698E+00 0.265E+00 -0.945E-02 +TYR 638 O 493 LEU 565 CA 196 0.712E+00 0.726E-01 -0.775E-02 +TYR 638 O 493 LEU 565 C 197 0.859E+00 -0.295E+00 -0.224E-02 +TYR 638 O 493 LEU 565 O 198 0.934E+00 0.251E+00 -0.138E-02 +TYR 638 O 493 LEU 565 CB 199 0.635E+00 0.130E+00 -0.153E-01 +TYR 638 O 493 LEU 565 CG 200 0.511E+00 -0.280E+00 -0.539E-01 +TYR 638 O 493 LEU 565 CD1 201 0.560E+00 0.146E+00 -0.320E-01 +TYR 638 O 493 LEU 565 CD2 202 0.523E+00 0.170E+00 -0.475E-01 +TYR 638 O 493 LEU 566 N 204 0.920E+00 0.163E+00 -0.180E-02 +TYR 638 O 493 LEU 568 CB 229 0.996E+00 0.587E-01 -0.104E-02 +TYR 638 O 493 LEU 568 CG 230 0.927E+00 -0.873E-01 -0.160E-02 +TYR 638 O 493 LEU 568 CD1 231 0.811E+00 0.697E-01 -0.355E-02 +TYR 638 O 493 LEU 568 CD2 232 0.104E+01 0.471E-01 -0.804E-03 +TYR 638 CB 494 ARG 557 C 112 0.985E+00 -0.299E-01 -0.107E-02 +TYR 638 CB 494 ARG 557 O 113 0.875E+00 0.284E-01 -0.226E-02 +TYR 638 CB 494 ALA 558 N 127 0.103E+01 0.155E-01 -0.101E-02 +TYR 638 CB 494 ALA 558 CA 128 0.958E+00 0.119E-02 -0.142E-02 +TYR 638 CB 494 ALA 558 C 129 0.925E+00 -0.256E-01 -0.155E-02 +TYR 638 CB 494 ALA 558 O 130 0.822E+00 0.303E-01 -0.328E-02 +TYR 638 CB 494 ILE 559 N 133 0.103E+01 0.174E-01 -0.103E-02 +TYR 638 CB 494 ILE 559 CA 134 0.104E+01 0.385E-02 -0.861E-03 +TYR 638 CB 494 ILE 559 C 135 0.953E+00 -0.244E-01 -0.129E-02 +TYR 638 CB 494 ILE 559 O 136 0.909E+00 0.287E-01 -0.180E-02 +TYR 638 CB 494 GLU 560 N 142 0.947E+00 0.183E-01 -0.165E-02 +TYR 638 CB 494 GLU 560 CA 143 0.896E+00 -0.152E-02 -0.212E-02 +TYR 638 CB 494 GLU 560 C 144 0.746E+00 -0.306E-01 -0.560E-02 +TYR 638 CB 494 GLU 560 O 145 0.699E+00 0.435E-01 -0.862E-02 +TYR 638 CB 494 GLU 560 CB 146 0.950E+00 -0.324E-02 -0.149E-02 +TYR 638 CB 494 ALA 561 N 152 0.685E+00 0.310E-01 -0.115E-01 +TYR 638 CB 494 ALA 561 CA 153 0.542E+00 0.352E-02 -0.407E-01 +TYR 638 CB 494 ALA 561 C 154 0.513E+00 -0.813E-01 -0.489E-01 +TYR 638 CB 494 ALA 561 O 155 0.433E+00 0.120E+00 -0.131E+00 +TYR 638 CB 494 ALA 561 CB 156 0.540E+00 0.292E-01 -0.417E-01 +TYR 638 CB 494 GLN 562 N 158 0.621E+00 0.361E-01 -0.203E-01 +TYR 638 CB 494 GLN 562 CA 159 0.651E+00 -0.313E-02 -0.141E-01 +TYR 638 CB 494 GLN 562 C 160 0.691E+00 -0.315E-01 -0.882E-02 +TYR 638 CB 494 GLN 562 O 161 0.700E+00 0.414E-01 -0.855E-02 +TYR 638 CB 494 GLN 562 CB 162 0.784E+00 0.190E-02 -0.469E-02 +TYR 638 CB 494 GLN 562 CG 163 0.781E+00 0.120E-02 -0.480E-02 +TYR 638 CB 494 GLN 562 CD 164 0.923E+00 -0.302E-01 -0.157E-02 +TYR 638 CB 494 GLN 562 OE1 165 0.102E+01 0.245E-01 -0.921E-03 +TYR 638 CB 494 GLN 562 NE2 166 0.951E+00 0.381E-01 -0.161E-02 +TYR 638 CB 494 GLN 563 N 170 0.749E+00 0.250E-01 -0.672E-02 +TYR 638 CB 494 GLN 563 CA 171 0.818E+00 -0.204E-02 -0.365E-02 +TYR 638 CB 494 GLN 563 C 172 0.735E+00 -0.280E-01 -0.613E-02 +TYR 638 CB 494 GLN 563 O 173 0.787E+00 0.333E-01 -0.426E-02 +TYR 638 CB 494 GLN 563 CB 174 0.909E+00 0.148E-02 -0.193E-02 +TYR 638 CB 494 GLN 563 CG 175 0.101E+01 0.783E-03 -0.101E-02 +TYR 638 CB 494 HIS 564 N 182 0.627E+00 0.483E-01 -0.193E-01 +TYR 638 CB 494 HIS 564 CA 183 0.567E+00 -0.352E-02 -0.316E-01 +TYR 638 CB 494 HIS 564 C 184 0.531E+00 -0.870E-01 -0.403E-01 +TYR 638 CB 494 HIS 564 O 185 0.598E+00 0.534E-01 -0.217E-01 +TYR 638 CB 494 HIS 564 CB 186 0.472E+00 0.264E-01 -0.853E-01 +TYR 638 CB 494 HIS 564 CG 187 0.570E+00 -0.312E-01 -0.271E-01 +TYR 638 CB 494 HIS 564 ND1 188 0.569E+00 0.476E-01 -0.337E-01 +TYR 638 CB 494 HIS 564 CD2 189 0.706E+00 0.215E-01 -0.779E-02 +TYR 638 CB 494 HIS 564 CE1 190 0.694E+00 -0.194E-02 -0.856E-02 +TYR 638 CB 494 HIS 564 NE2 191 0.764E+00 0.609E-02 -0.596E-02 +TYR 638 CB 494 HIS 564 HD1 193 0.503E+00 -0.239E-01 -0.205E-02 +TYR 638 CB 494 LEU 565 N 195 0.475E+00 0.609E-01 -0.923E-01 +TYR 638 CB 494 LEU 565 CA 196 0.504E+00 0.150E-01 -0.608E-01 +TYR 638 CB 494 LEU 565 C 197 0.656E+00 -0.477E-01 -0.119E-01 +TYR 638 CB 494 LEU 565 O 198 0.720E+00 0.388E-01 -0.726E-02 +TYR 638 CB 494 LEU 565 CB 199 0.495E+00 0.224E-01 -0.669E-01 +TYR 638 CB 494 LEU 565 CG 200 0.411E+00 -0.472E-01 -0.155E+00 +TYR 638 CB 494 LEU 565 CD1 201 0.534E+00 0.160E-01 -0.441E-01 +TYR 638 CB 494 LEU 565 CD2 202 0.368E+00 0.404E-01 -0.168E+00 +TYR 638 CB 494 LEU 566 N 204 0.737E+00 0.236E-01 -0.740E-02 +TYR 638 CB 494 LEU 566 CA 205 0.881E+00 0.492E-02 -0.234E-02 +TYR 638 CB 494 LEU 566 C 206 0.929E+00 -0.256E-01 -0.151E-02 +TYR 638 CB 494 LEU 566 O 207 0.102E+01 0.218E-01 -0.921E-03 +TYR 638 CB 494 LEU 566 CB 208 0.967E+00 0.605E-02 -0.134E-02 +TYR 638 CB 494 LEU 566 CG 209 0.103E+01 -0.740E-02 -0.944E-03 +TYR 638 CB 494 GLN 567 N 213 0.889E+00 0.186E-01 -0.242E-02 +TYR 638 CB 494 GLN 567 CA 214 0.958E+00 -0.158E-02 -0.142E-02 +TYR 638 CB 494 GLN 567 C 215 0.945E+00 -0.183E-01 -0.137E-02 +TYR 638 CB 494 GLN 567 CB 217 0.937E+00 0.141E-02 -0.162E-02 +TYR 638 CB 494 GLN 567 CG 218 0.100E+01 0.800E-03 -0.110E-02 +TYR 638 CB 494 LEU 568 N 225 0.829E+00 0.191E-01 -0.366E-02 +TYR 638 CB 494 LEU 568 CA 226 0.838E+00 0.534E-02 -0.315E-02 +TYR 638 CB 494 LEU 568 C 227 0.935E+00 -0.254E-01 -0.145E-02 +TYR 638 CB 494 LEU 568 O 228 0.103E+01 0.213E-01 -0.835E-03 +TYR 638 CB 494 LEU 568 CB 229 0.708E+00 0.103E-01 -0.858E-02 +TYR 638 CB 494 LEU 568 CG 230 0.617E+00 -0.181E-01 -0.193E-01 +TYR 638 CB 494 LEU 568 CD1 231 0.501E+00 0.185E-01 -0.627E-01 +TYR 638 CB 494 LEU 568 CD2 232 0.719E+00 0.857E-02 -0.787E-02 +TYR 638 CB 494 THR 569 N 234 0.934E+00 0.109E-01 -0.180E-02 +TYR 638 CB 494 THR 569 CA 235 0.105E+01 0.101E-01 -0.821E-03 +TYR 638 CB 494 THR 569 CB 238 0.105E+01 -0.888E-02 -0.822E-03 +TYR 638 CB 494 THR 569 CG2 240 0.948E+00 0.763E-02 -0.151E-02 +TYR 638 CB 494 THR 569 HG1 242 0.976E+00 -0.168E-01 0.000E+00 +TYR 638 CG 495 ARG 557 C 112 0.987E+00 0.647E-01 -0.933E-03 +TYR 638 CG 495 ARG 557 O 113 0.872E+00 -0.622E-01 -0.205E-02 +TYR 638 CG 495 ALA 558 N 127 0.105E+01 -0.328E-01 -0.796E-03 +TYR 638 CG 495 ALA 558 CA 128 0.996E+00 -0.245E-02 -0.998E-03 +TYR 638 CG 495 ALA 558 C 129 0.961E+00 0.526E-01 -0.109E-02 +TYR 638 CG 495 ALA 558 O 130 0.865E+00 -0.605E-01 -0.215E-02 +TYR 638 CG 495 ILE 559 C 135 0.956E+00 0.528E-01 -0.112E-02 +TYR 638 CG 495 ILE 559 O 136 0.912E+00 -0.620E-01 -0.157E-02 +TYR 638 CG 495 GLU 560 N 142 0.935E+00 -0.407E-01 -0.159E-02 +TYR 638 CG 495 GLU 560 CA 143 0.862E+00 0.350E-02 -0.236E-02 +TYR 638 CG 495 GLU 560 C 144 0.715E+00 0.720E-01 -0.641E-02 +TYR 638 CG 495 GLU 560 O 145 0.657E+00 -0.107E+00 -0.111E-01 +TYR 638 CG 495 GLU 560 CB 146 0.901E+00 0.764E-02 -0.181E-02 +TYR 638 CG 495 ALA 561 N 152 0.671E+00 -0.702E-01 -0.115E-01 +TYR 638 CG 495 ALA 561 CA 153 0.538E+00 -0.776E-02 -0.375E-01 +TYR 638 CG 495 ALA 561 C 154 0.532E+00 0.163E+00 -0.356E-01 +TYR 638 CG 495 ALA 561 O 155 0.448E+00 -0.238E+00 -0.972E-01 +TYR 638 CG 495 ALA 561 CB 156 0.561E+00 -0.581E-01 -0.297E-01 +TYR 638 CG 495 GLN 562 N 158 0.655E+00 -0.704E-01 -0.133E-01 +TYR 638 CG 495 GLN 562 CA 159 0.700E+00 0.589E-02 -0.814E-02 +TYR 638 CG 495 GLN 562 C 160 0.720E+00 0.633E-01 -0.614E-02 +TYR 638 CG 495 GLN 562 O 161 0.736E+00 -0.818E-01 -0.564E-02 +TYR 638 CG 495 GLN 562 CB 162 0.843E+00 -0.364E-02 -0.269E-02 +TYR 638 CG 495 GLN 562 CG 163 0.859E+00 -0.220E-02 -0.241E-02 +TYR 638 CG 495 GLN 562 CD 164 0.101E+01 0.575E-01 -0.831E-03 +TYR 638 CG 495 GLN 562 NE2 166 0.105E+01 -0.715E-01 -0.793E-03 +TYR 638 CG 495 GLN 563 N 170 0.754E+00 -0.536E-01 -0.575E-02 +TYR 638 CG 495 GLN 563 CA 171 0.805E+00 0.456E-02 -0.356E-02 +TYR 638 CG 495 GLN 563 C 172 0.709E+00 0.652E-01 -0.673E-02 +TYR 638 CG 495 GLN 563 O 173 0.761E+00 -0.770E-01 -0.464E-02 +TYR 638 CG 495 GLN 563 CB 174 0.878E+00 -0.340E-02 -0.211E-02 +TYR 638 CG 495 GLN 563 CG 175 0.973E+00 -0.181E-02 -0.115E-02 +TYR 638 CG 495 HIS 564 N 182 0.588E+00 -0.120E+00 -0.249E-01 +TYR 638 CG 495 HIS 564 CA 183 0.510E+00 0.972E-02 -0.502E-01 +TYR 638 CG 495 HIS 564 C 184 0.503E+00 0.215E+00 -0.483E-01 +TYR 638 CG 495 HIS 564 O 185 0.564E+00 -0.132E+00 -0.272E-01 +TYR 638 CG 495 HIS 564 CB 186 0.390E+00 -0.932E-01 -0.155E+00 +TYR 638 CG 495 HIS 564 CG 187 0.466E+00 0.108E+00 -0.715E-01 +TYR 638 CG 495 HIS 564 ND1 188 0.450E+00 -0.179E+00 -0.107E+00 +TYR 638 CG 495 HIS 564 CD2 189 0.604E+00 -0.640E-01 -0.172E-01 +TYR 638 CG 495 HIS 564 CE1 190 0.574E+00 0.625E-02 -0.231E-01 +TYR 638 CG 495 HIS 564 NE2 191 0.652E+00 -0.180E-01 -0.136E-01 +TYR 638 CG 495 HIS 564 HD1 193 0.377E+00 0.107E+00 -0.985E-02 +TYR 638 CG 495 LEU 565 N 195 0.483E+00 -0.127E+00 -0.749E-01 +TYR 638 CG 495 LEU 565 CA 196 0.544E+00 -0.274E-01 -0.354E-01 +TYR 638 CG 495 LEU 565 C 197 0.690E+00 0.939E-01 -0.787E-02 +TYR 638 CG 495 LEU 565 O 198 0.754E+00 -0.772E-01 -0.487E-02 +TYR 638 CG 495 LEU 565 CB 199 0.571E+00 -0.349E-01 -0.268E-01 +TYR 638 CG 495 LEU 565 CG 200 0.520E+00 0.576E-01 -0.453E-01 +TYR 638 CG 495 LEU 565 CD1 201 0.658E+00 -0.222E-01 -0.118E-01 +TYR 638 CG 495 LEU 565 CD2 202 0.477E+00 -0.453E-01 -0.717E-01 +TYR 638 CG 495 LEU 566 N 204 0.764E+00 -0.480E-01 -0.531E-02 +TYR 638 CG 495 LEU 566 CA 205 0.903E+00 -0.103E-01 -0.178E-02 +TYR 638 CG 495 LEU 566 C 206 0.933E+00 0.553E-01 -0.130E-02 +TYR 638 CG 495 LEU 566 O 207 0.103E+01 -0.468E-01 -0.777E-03 +TYR 638 CG 495 LEU 566 CB 208 0.985E+00 -0.128E-01 -0.106E-02 +TYR 638 CG 495 GLN 567 N 213 0.873E+00 -0.415E-01 -0.239E-02 +TYR 638 CG 495 GLN 567 CA 214 0.925E+00 0.362E-02 -0.155E-02 +TYR 638 CG 495 GLN 567 C 215 0.917E+00 0.416E-01 -0.145E-02 +TYR 638 CG 495 GLN 567 O 216 0.102E+01 -0.476E-01 -0.796E-03 +TYR 638 CG 495 GLN 567 CB 217 0.882E+00 -0.338E-02 -0.207E-02 +TYR 638 CG 495 GLN 567 CG 218 0.940E+00 -0.191E-02 -0.141E-02 +TYR 638 CG 495 LEU 568 N 225 0.811E+00 -0.432E-01 -0.372E-02 +TYR 638 CG 495 LEU 568 CA 226 0.824E+00 -0.119E-01 -0.309E-02 +TYR 638 CG 495 LEU 568 C 227 0.939E+00 0.548E-01 -0.126E-02 +TYR 638 CG 495 LEU 568 O 228 0.103E+01 -0.461E-01 -0.736E-03 +TYR 638 CG 495 LEU 568 CB 229 0.701E+00 -0.229E-01 -0.808E-02 +TYR 638 CG 495 LEU 568 CG 230 0.584E+00 0.443E-01 -0.235E-01 +TYR 638 CG 495 LEU 568 CD1 231 0.477E+00 -0.453E-01 -0.716E-01 +TYR 638 CG 495 LEU 568 CD2 232 0.660E+00 -0.220E-01 -0.115E-01 +TYR 638 CG 495 THR 569 N 234 0.955E+00 -0.228E-01 -0.139E-02 +TYR 638 CG 495 THR 569 CG2 240 0.101E+01 -0.150E-01 -0.899E-03 +TYR 638 CG 495 THR 569 HG1 242 0.101E+01 0.346E-01 0.000E+00 +TYR 638 CD1 496 ARG 557 CA 111 0.974E+00 0.192E-01 -0.114E-02 +TYR 638 CD1 496 ARG 557 C 112 0.889E+00 -0.123E+00 -0.174E-02 +TYR 638 CD1 496 ARG 557 O 113 0.776E+00 0.123E+00 -0.412E-02 +TYR 638 CD1 496 ARG 557 CB 114 0.100E+01 0.519E-02 -0.961E-03 +TYR 638 CD1 496 ALA 558 N 127 0.962E+00 0.604E-01 -0.133E-02 +TYR 638 CD1 496 ALA 558 CA 128 0.925E+00 0.444E-02 -0.155E-02 +TYR 638 CD1 496 ALA 558 C 129 0.901E+00 -0.942E-01 -0.161E-02 +TYR 638 CD1 496 ALA 558 O 130 0.817E+00 0.108E+00 -0.302E-02 +TYR 638 CD1 496 ILE 559 N 133 0.988E+00 0.646E-01 -0.114E-02 +TYR 638 CD1 496 ILE 559 CA 134 0.101E+01 0.142E-01 -0.924E-03 +TYR 638 CD1 496 ILE 559 C 135 0.901E+00 -0.939E-01 -0.160E-02 +TYR 638 CD1 496 ILE 559 O 136 0.871E+00 0.108E+00 -0.206E-02 +TYR 638 CD1 496 GLU 560 N 142 0.862E+00 0.750E-01 -0.257E-02 +TYR 638 CD1 496 GLU 560 CA 143 0.786E+00 -0.665E-02 -0.409E-02 +TYR 638 CD1 496 GLU 560 C 144 0.644E+00 -0.143E+00 -0.119E-01 +TYR 638 CD1 496 GLU 560 O 145 0.599E+00 0.210E+00 -0.191E-01 +TYR 638 CD1 496 GLU 560 CB 146 0.807E+00 -0.149E-01 -0.351E-02 +TYR 638 CD1 496 GLU 560 CG 147 0.956E+00 0.512E-02 -0.127E-02 +TYR 638 CD1 496 GLU 560 CD 148 0.101E+01 -0.106E+00 -0.814E-03 +TYR 638 CD1 496 GLU 560 OE1 149 0.943E+00 0.127E+00 -0.128E-02 +TYR 638 CD1 496 ALA 561 N 152 0.596E+00 0.145E+00 -0.230E-01 +TYR 638 CD1 496 ALA 561 CA 153 0.472E+00 0.171E-01 -0.757E-01 +TYR 638 CD1 496 ALA 561 C 154 0.504E+00 -0.298E+00 -0.478E-01 +TYR 638 CD1 496 ALA 561 O 155 0.445E+00 0.392E+00 -0.100E+00 +TYR 638 CD1 496 ALA 561 CB 156 0.490E+00 0.128E+00 -0.622E-01 +TYR 638 CD1 496 GLN 562 N 158 0.634E+00 0.122E+00 -0.160E-01 +TYR 638 CD1 496 GLN 562 CA 159 0.706E+00 -0.938E-02 -0.773E-02 +TYR 638 CD1 496 GLN 562 C 160 0.734E+00 -0.987E-01 -0.544E-02 +TYR 638 CD1 496 GLN 562 O 161 0.772E+00 0.121E+00 -0.423E-02 +TYR 638 CD1 496 GLN 562 CB 162 0.847E+00 0.584E-02 -0.262E-02 +TYR 638 CD1 496 GLN 562 CG 163 0.862E+00 0.355E-02 -0.236E-02 +TYR 638 CD1 496 GLN 562 CD 164 0.101E+01 -0.928E-01 -0.818E-03 +TYR 638 CD1 496 GLN 563 N 170 0.750E+00 0.877E-01 -0.592E-02 +TYR 638 CD1 496 GLN 563 CA 171 0.806E+00 -0.736E-02 -0.352E-02 +TYR 638 CD1 496 GLN 563 C 172 0.723E+00 -0.102E+00 -0.597E-02 +TYR 638 CD1 496 GLN 563 O 173 0.791E+00 0.116E+00 -0.366E-02 +TYR 638 CD1 496 GLN 563 CB 174 0.859E+00 0.571E-02 -0.241E-02 +TYR 638 CD1 496 GLN 563 CG 175 0.960E+00 0.299E-02 -0.124E-02 +TYR 638 CD1 496 HIS 564 N 182 0.595E+00 0.190E+00 -0.233E-01 +TYR 638 CD1 496 HIS 564 CA 183 0.536E+00 -0.140E-01 -0.382E-01 +TYR 638 CD1 496 HIS 564 C 184 0.565E+00 -0.266E+00 -0.252E-01 +TYR 638 CD1 496 HIS 564 O 185 0.639E+00 0.164E+00 -0.130E-01 +TYR 638 CD1 496 HIS 564 CB 186 0.399E+00 0.142E+00 -0.149E+00 +TYR 638 CD1 496 HIS 564 CG 187 0.432E+00 -0.212E+00 -0.101E+00 +TYR 638 CD1 496 HIS 564 ND1 188 0.382E+00 0.444E+00 -0.193E+00 +TYR 638 CD1 496 HIS 564 CD2 189 0.566E+00 0.119E+00 -0.249E-01 +TYR 638 CD1 496 HIS 564 CE1 190 0.494E+00 -0.143E-01 -0.532E-01 +TYR 638 CD1 496 HIS 564 NE2 191 0.589E+00 0.360E-01 -0.245E-01 +TYR 638 CD1 496 HIS 564 HD1 193 0.296E+00 -0.338E+00 -0.357E-01 +TYR 638 CD1 496 LEU 565 N 195 0.552E+00 0.150E+00 -0.356E-01 +TYR 638 CD1 496 LEU 565 CA 196 0.636E+00 0.316E-01 -0.144E-01 +TYR 638 CD1 496 LEU 565 C 197 0.780E+00 -0.121E+00 -0.379E-02 +TYR 638 CD1 496 LEU 565 O 198 0.857E+00 0.100E+00 -0.227E-02 +TYR 638 CD1 496 LEU 565 CB 199 0.658E+00 0.419E-01 -0.117E-01 +TYR 638 CD1 496 LEU 565 CG 200 0.613E+00 -0.648E-01 -0.178E-01 +TYR 638 CD1 496 LEU 565 CD1 201 0.747E+00 0.281E-01 -0.555E-02 +TYR 638 CD1 496 LEU 565 CD2 202 0.594E+00 0.444E-01 -0.214E-01 +TYR 638 CD1 496 LEU 566 N 204 0.837E+00 0.662E-01 -0.308E-02 +TYR 638 CD1 496 LEU 566 CA 205 0.976E+00 0.147E-01 -0.112E-02 +TYR 638 CD1 496 LEU 566 C 206 0.101E+01 -0.794E-01 -0.809E-03 +TYR 638 CD1 496 LEU 566 CB 208 0.104E+01 0.191E-01 -0.765E-03 +TYR 638 CD1 496 GLN 567 N 213 0.942E+00 0.596E-01 -0.151E-02 +TYR 638 CD1 496 GLN 567 CA 214 0.996E+00 -0.524E-02 -0.996E-03 +TYR 638 CD1 496 GLN 567 C 215 0.100E+01 -0.587E-01 -0.845E-03 +TYR 638 CD1 496 GLN 567 CB 217 0.937E+00 0.497E-02 -0.143E-02 +TYR 638 CD1 496 GLN 567 CG 218 0.976E+00 0.292E-02 -0.112E-02 +TYR 638 CD1 496 LEU 568 N 225 0.907E+00 0.580E-01 -0.190E-02 +TYR 638 CD1 496 LEU 568 CA 226 0.934E+00 0.158E-01 -0.147E-02 +TYR 638 CD1 496 LEU 568 CB 229 0.820E+00 0.278E-01 -0.319E-02 +TYR 638 CD1 496 LEU 568 CG 230 0.695E+00 -0.502E-01 -0.851E-02 +TYR 638 CD1 496 LEU 568 CD1 231 0.600E+00 0.434E-01 -0.201E-01 +TYR 638 CD1 496 LEU 568 CD2 232 0.759E+00 0.273E-01 -0.505E-02 +TYR 638 CD2 497 ARG 557 O 113 0.985E+00 0.831E-01 -0.984E-03 +TYR 638 CD2 497 ALA 558 O 130 0.978E+00 0.807E-01 -0.103E-02 +TYR 638 CD2 497 ILE 559 C 135 0.104E+01 -0.754E-01 -0.673E-03 +TYR 638 CD2 497 ILE 559 O 136 0.986E+00 0.890E-01 -0.978E-03 +TYR 638 CD2 497 GLU 560 N 142 0.102E+01 0.577E-01 -0.936E-03 +TYR 638 CD2 497 GLU 560 CA 143 0.937E+00 -0.497E-02 -0.144E-02 +TYR 638 CD2 497 GLU 560 C 144 0.791E+00 -0.966E-01 -0.349E-02 +TYR 638 CD2 497 GLU 560 O 145 0.716E+00 0.146E+00 -0.664E-02 +TYR 638 CD2 497 GLU 560 CB 146 0.975E+00 -0.110E-01 -0.113E-02 +TYR 638 CD2 497 ALA 561 N 152 0.767E+00 0.881E-01 -0.519E-02 +TYR 638 CD2 497 ALA 561 CA 153 0.643E+00 0.856E-02 -0.135E-01 +TYR 638 CD2 497 ALA 561 C 154 0.626E+00 -0.184E+00 -0.140E-01 +TYR 638 CD2 497 ALA 561 O 155 0.528E+00 0.261E+00 -0.399E-01 +TYR 638 CD2 497 ALA 561 CB 156 0.685E+00 0.619E-01 -0.928E-02 +TYR 638 CD2 497 GLN 562 N 158 0.747E+00 0.884E-01 -0.608E-02 +TYR 638 CD2 497 GLN 562 CA 159 0.779E+00 -0.782E-02 -0.432E-02 +TYR 638 CD2 497 GLN 562 C 160 0.774E+00 -0.895E-01 -0.398E-02 +TYR 638 CD2 497 GLN 562 O 161 0.775E+00 0.121E+00 -0.414E-02 +TYR 638 CD2 497 GLN 562 CB 162 0.926E+00 0.506E-02 -0.154E-02 +TYR 638 CD2 497 GLN 562 CG 163 0.957E+00 0.301E-02 -0.126E-02 +TYR 638 CD2 497 GLN 563 N 170 0.803E+00 0.775E-01 -0.393E-02 +TYR 638 CD2 497 GLN 563 CA 171 0.832E+00 -0.697E-02 -0.292E-02 +TYR 638 CD2 497 GLN 563 C 172 0.717E+00 -0.103E+00 -0.629E-02 +TYR 638 CD2 497 GLN 563 O 173 0.749E+00 0.128E+00 -0.508E-02 +TYR 638 CD2 497 GLN 563 CB 174 0.905E+00 0.524E-02 -0.176E-02 +TYR 638 CD2 497 GLN 563 CG 175 0.981E+00 0.290E-02 -0.109E-02 +TYR 638 CD2 497 HIS 564 N 182 0.599E+00 0.187E+00 -0.223E-01 +TYR 638 CD2 497 HIS 564 CA 183 0.493E+00 -0.171E-01 -0.608E-01 +TYR 638 CD2 497 HIS 564 C 184 0.474E+00 -0.401E+00 -0.657E-01 +TYR 638 CD2 497 HIS 564 O 185 0.507E+00 0.273E+00 -0.500E-01 +TYR 638 CD2 497 HIS 564 CB 186 0.379E+00 0.163E+00 -0.157E+00 +TYR 638 CD2 497 HIS 564 CG 187 0.460E+00 -0.181E+00 -0.762E-01 +TYR 638 CD2 497 HIS 564 ND1 188 0.457E+00 0.280E+00 -0.990E-01 +TYR 638 CD2 497 HIS 564 CD2 189 0.592E+00 0.108E+00 -0.192E-01 +TYR 638 CD2 497 HIS 564 CE1 190 0.579E+00 -0.994E-02 -0.221E-01 +TYR 638 CD2 497 HIS 564 NE2 191 0.647E+00 0.296E-01 -0.142E-01 +TYR 638 CD2 497 HIS 564 HD1 193 0.394E+00 -0.155E+00 -0.768E-02 +TYR 638 CD2 497 LEU 565 N 195 0.484E+00 0.205E+00 -0.741E-01 +TYR 638 CD2 497 LEU 565 CA 196 0.540E+00 0.450E-01 -0.367E-01 +TYR 638 CD2 497 LEU 565 C 197 0.673E+00 -0.160E+00 -0.910E-02 +TYR 638 CD2 497 LEU 565 O 198 0.721E+00 0.136E+00 -0.638E-02 +TYR 638 CD2 497 LEU 565 CB 199 0.600E+00 0.509E-01 -0.201E-01 +TYR 638 CD2 497 LEU 565 CG 200 0.568E+00 -0.764E-01 -0.276E-01 +TYR 638 CD2 497 LEU 565 CD1 201 0.713E+00 0.307E-01 -0.734E-02 +TYR 638 CD2 497 LEU 565 CD2 202 0.501E+00 0.652E-01 -0.555E-01 +TYR 638 CD2 497 LEU 566 N 204 0.756E+00 0.792E-01 -0.563E-02 +TYR 638 CD2 497 LEU 566 CA 205 0.887E+00 0.171E-01 -0.199E-02 +TYR 638 CD2 497 LEU 566 C 206 0.895E+00 -0.956E-01 -0.167E-02 +TYR 638 CD2 497 LEU 566 O 207 0.979E+00 0.811E-01 -0.103E-02 +TYR 638 CD2 497 LEU 566 CB 208 0.980E+00 0.209E-01 -0.109E-02 +TYR 638 CD2 497 GLN 567 N 213 0.825E+00 0.740E-01 -0.335E-02 +TYR 638 CD2 497 GLN 567 CA 214 0.858E+00 -0.662E-02 -0.243E-02 +TYR 638 CD2 497 GLN 567 C 215 0.835E+00 -0.784E-01 -0.253E-02 +TYR 638 CD2 497 GLN 567 O 216 0.932E+00 0.885E-01 -0.138E-02 +TYR 638 CD2 497 GLN 567 CB 217 0.809E+00 0.633E-02 -0.346E-02 +TYR 638 CD2 497 GLN 567 CG 218 0.881E+00 0.343E-02 -0.208E-02 +TYR 638 CD2 497 GLN 567 CD 219 0.103E+01 -0.899E-01 -0.719E-03 +TYR 638 CD2 497 LEU 568 N 225 0.730E+00 0.844E-01 -0.692E-02 +TYR 638 CD2 497 LEU 568 CA 226 0.732E+00 0.239E-01 -0.627E-02 +TYR 638 CD2 497 LEU 568 C 227 0.854E+00 -0.103E+00 -0.221E-02 +TYR 638 CD2 497 LEU 568 O 228 0.942E+00 0.860E-01 -0.129E-02 +TYR 638 CD2 497 LEU 568 CB 229 0.609E+00 0.493E-01 -0.185E-01 +TYR 638 CD2 497 LEU 568 CG 230 0.480E+00 -0.113E+00 -0.695E-01 +TYR 638 CD2 497 LEU 568 CD1 231 0.373E+00 0.138E+00 -0.154E+00 +TYR 638 CD2 497 LEU 568 CD2 232 0.538E+00 0.553E-01 -0.376E-01 +TYR 638 CD2 497 THR 569 N 234 0.888E+00 0.415E-01 -0.216E-02 +TYR 638 CD2 497 THR 569 CA 235 0.102E+01 0.370E-01 -0.861E-03 +TYR 638 CD2 497 THR 569 CG2 240 0.982E+00 0.254E-01 -0.108E-02 +TYR 638 CD2 497 THR 569 HG1 242 0.973E+00 -0.594E-01 0.000E+00 +TYR 638 CE1 498 ARG 557 CA 111 0.984E+00 0.188E-01 -0.107E-02 +TYR 638 CE1 498 ARG 557 C 112 0.917E+00 -0.117E+00 -0.145E-02 +TYR 638 CE1 498 ARG 557 O 113 0.803E+00 0.115E+00 -0.335E-02 +TYR 638 CE1 498 ARG 557 CB 114 0.101E+01 0.510E-02 -0.913E-03 +TYR 638 CE1 498 ALA 558 N 127 0.100E+01 0.563E-01 -0.103E-02 +TYR 638 CE1 498 ALA 558 CA 128 0.985E+00 0.401E-02 -0.107E-02 +TYR 638 CE1 498 ALA 558 C 129 0.960E+00 -0.848E-01 -0.110E-02 +TYR 638 CE1 498 ALA 558 O 130 0.885E+00 0.938E-01 -0.187E-02 +TYR 638 CE1 498 ILE 559 N 133 0.104E+01 0.600E-01 -0.861E-03 +TYR 638 CE1 498 ILE 559 C 135 0.932E+00 -0.886E-01 -0.132E-02 +TYR 638 CE1 498 ILE 559 O 136 0.903E+00 0.102E+00 -0.166E-02 +TYR 638 CE1 498 GLU 560 N 142 0.878E+00 0.724E-01 -0.231E-02 +TYR 638 CE1 498 GLU 560 CA 143 0.784E+00 -0.664E-02 -0.415E-02 +TYR 638 CE1 498 GLU 560 C 144 0.652E+00 -0.139E+00 -0.110E-01 +TYR 638 CE1 498 GLU 560 O 145 0.600E+00 0.209E+00 -0.190E-01 +TYR 638 CE1 498 GLU 560 CB 146 0.786E+00 -0.155E-01 -0.411E-02 +TYR 638 CE1 498 GLU 560 CG 147 0.928E+00 0.533E-02 -0.152E-02 +TYR 638 CE1 498 GLU 560 CD 148 0.968E+00 -0.112E+00 -0.105E-02 +TYR 638 CE1 498 GLU 560 OE1 149 0.894E+00 0.137E+00 -0.177E-02 +TYR 638 CE1 498 ALA 561 N 152 0.625E+00 0.131E+00 -0.175E-01 +TYR 638 CE1 498 ALA 561 CA 153 0.522E+00 0.134E-01 -0.443E-01 +TYR 638 CE1 498 ALA 561 C 154 0.571E+00 -0.223E+00 -0.237E-01 +TYR 638 CE1 498 ALA 561 O 155 0.517E+00 0.272E+00 -0.447E-01 +TYR 638 CE1 498 ALA 561 CB 156 0.561E+00 0.937E-01 -0.298E-01 +TYR 638 CE1 498 GLN 562 N 158 0.703E+00 0.984E-01 -0.867E-02 +TYR 638 CE1 498 GLN 562 CA 159 0.784E+00 -0.769E-02 -0.416E-02 +TYR 638 CE1 498 GLN 562 C 160 0.796E+00 -0.849E-01 -0.338E-02 +TYR 638 CE1 498 GLN 562 O 161 0.838E+00 0.105E+00 -0.260E-02 +TYR 638 CE1 498 GLN 562 CB 162 0.928E+00 0.502E-02 -0.152E-02 +TYR 638 CE1 498 GLN 562 CG 163 0.956E+00 0.299E-02 -0.127E-02 +TYR 638 CE1 498 GLN 563 N 170 0.790E+00 0.793E-01 -0.433E-02 +TYR 638 CE1 498 GLN 563 CA 171 0.829E+00 -0.698E-02 -0.298E-02 +TYR 638 CE1 498 GLN 563 C 172 0.740E+00 -0.968E-01 -0.522E-02 +TYR 638 CE1 498 GLN 563 O 173 0.805E+00 0.112E+00 -0.329E-02 +TYR 638 CE1 498 GLN 563 CB 174 0.862E+00 0.565E-02 -0.236E-02 +TYR 638 CE1 498 GLN 563 CG 175 0.950E+00 0.302E-02 -0.132E-02 +TYR 638 CE1 498 HIS 564 N 182 0.607E+00 0.181E+00 -0.207E-01 +TYR 638 CE1 498 HIS 564 CA 183 0.540E+00 -0.137E-01 -0.366E-01 +TYR 638 CE1 498 HIS 564 C 184 0.595E+00 -0.237E+00 -0.188E-01 +TYR 638 CE1 498 HIS 564 O 185 0.660E+00 0.153E+00 -0.108E-01 +TYR 638 CE1 498 HIS 564 CB 186 0.393E+00 0.148E+00 -0.154E+00 +TYR 638 CE1 498 HIS 564 CG 187 0.383E+00 -0.289E+00 -0.140E+00 +TYR 638 CE1 498 HIS 564 ND1 188 0.303E+00 0.833E+00 0.997E+00 +TYR 638 CE1 498 HIS 564 CD2 189 0.507E+00 0.153E+00 -0.461E-01 +TYR 638 CE1 498 HIS 564 CE1 190 0.400E+00 -0.240E-01 -0.131E+00 +TYR 638 CE1 498 HIS 564 NE2 191 0.508E+00 0.499E-01 -0.566E-01 +TYR 638 CE1 498 HIS 564 HD1 193 0.210E+00 -0.926E+00 0.159E+00 +TYR 638 CE1 498 LEU 565 N 195 0.611E+00 0.120E+00 -0.199E-01 +TYR 638 CE1 498 LEU 565 CA 196 0.710E+00 0.252E-01 -0.749E-02 +TYR 638 CE1 498 LEU 565 C 197 0.845E+00 -0.105E+00 -0.237E-02 +TYR 638 CE1 498 LEU 565 O 198 0.920E+00 0.887E-01 -0.149E-02 +TYR 638 CE1 498 LEU 565 CB 199 0.754E+00 0.321E-01 -0.525E-02 +TYR 638 CE1 498 LEU 565 CG 200 0.727E+00 -0.458E-01 -0.650E-02 +TYR 638 CE1 498 LEU 565 CD1 201 0.868E+00 0.215E-01 -0.227E-02 +TYR 638 CE1 498 LEU 565 CD2 202 0.706E+00 0.310E-01 -0.774E-02 +TYR 638 CE1 498 LEU 566 N 204 0.894E+00 0.591E-01 -0.208E-02 +TYR 638 CE1 498 LEU 566 CA 205 0.103E+01 0.136E-01 -0.832E-03 +TYR 638 CE1 498 LEU 566 C 206 0.105E+01 -0.752E-01 -0.659E-03 +TYR 638 CE1 498 GLN 567 N 213 0.963E+00 0.573E-01 -0.133E-02 +TYR 638 CE1 498 GLN 567 CA 214 0.100E+01 -0.517E-02 -0.967E-03 +TYR 638 CE1 498 GLN 567 C 215 0.101E+01 -0.575E-01 -0.798E-03 +TYR 638 CE1 498 GLN 567 CB 217 0.922E+00 0.506E-02 -0.158E-02 +TYR 638 CE1 498 GLN 567 CG 218 0.954E+00 0.301E-02 -0.129E-02 +TYR 638 CE1 498 LEU 568 N 225 0.929E+00 0.556E-01 -0.165E-02 +TYR 638 CE1 498 LEU 568 CA 226 0.959E+00 0.151E-01 -0.125E-02 +TYR 638 CE1 498 LEU 568 CB 229 0.854E+00 0.258E-01 -0.249E-02 +TYR 638 CE1 498 LEU 568 CG 230 0.716E+00 -0.471E-01 -0.712E-02 +TYR 638 CE1 498 LEU 568 CD1 231 0.636E+00 0.382E-01 -0.143E-01 +TYR 638 CE1 498 LEU 568 CD2 232 0.755E+00 0.274E-01 -0.521E-02 +TYR 638 CE2 499 ARG 557 O 113 0.101E+01 0.801E-01 -0.867E-03 +TYR 638 CE2 499 ALA 558 O 130 0.104E+01 0.738E-01 -0.732E-03 +TYR 638 CE2 499 ILE 559 O 136 0.101E+01 0.852E-01 -0.835E-03 +TYR 638 CE2 499 GLU 560 N 142 0.103E+01 0.565E-01 -0.874E-03 +TYR 638 CE2 499 GLU 560 CA 143 0.933E+00 -0.498E-02 -0.147E-02 +TYR 638 CE2 499 GLU 560 C 144 0.796E+00 -0.951E-01 -0.337E-02 +TYR 638 CE2 499 GLU 560 O 145 0.714E+00 0.146E+00 -0.674E-02 +TYR 638 CE2 499 GLU 560 CB 146 0.955E+00 -0.112E-01 -0.128E-02 +TYR 638 CE2 499 ALA 561 N 152 0.788E+00 0.834E-01 -0.441E-02 +TYR 638 CE2 499 ALA 561 CA 153 0.680E+00 0.761E-02 -0.971E-02 +TYR 638 CE2 499 ALA 561 C 154 0.680E+00 -0.155E+00 -0.857E-02 +TYR 638 CE2 499 ALA 561 O 155 0.588E+00 0.204E+00 -0.213E-01 +TYR 638 CE2 499 ALA 561 CB 156 0.737E+00 0.535E-01 -0.601E-02 +TYR 638 CE2 499 GLN 562 N 158 0.806E+00 0.767E-01 -0.386E-02 +TYR 638 CE2 499 GLN 562 CA 159 0.849E+00 -0.670E-02 -0.258E-02 +TYR 638 CE2 499 GLN 562 C 160 0.831E+00 -0.787E-01 -0.261E-02 +TYR 638 CE2 499 GLN 562 O 161 0.838E+00 0.104E+00 -0.259E-02 +TYR 638 CE2 499 GLN 562 CB 162 0.999E+00 0.448E-02 -0.976E-03 +TYR 638 CE2 499 GLN 562 CG 163 0.104E+01 0.263E-02 -0.757E-03 +TYR 638 CE2 499 GLN 563 N 170 0.839E+00 0.715E-01 -0.303E-02 +TYR 638 CE2 499 GLN 563 CA 171 0.851E+00 -0.667E-02 -0.254E-02 +TYR 638 CE2 499 GLN 563 C 172 0.730E+00 -0.992E-01 -0.563E-02 +TYR 638 CE2 499 GLN 563 O 173 0.761E+00 0.124E+00 -0.464E-02 +TYR 638 CE2 499 GLN 563 CB 174 0.905E+00 0.522E-02 -0.177E-02 +TYR 638 CE2 499 GLN 563 CG 175 0.968E+00 0.294E-02 -0.118E-02 +TYR 638 CE2 499 HIS 564 N 182 0.608E+00 0.180E+00 -0.204E-01 +TYR 638 CE2 499 HIS 564 CA 183 0.493E+00 -0.170E-01 -0.603E-01 +TYR 638 CE2 499 HIS 564 C 184 0.506E+00 -0.341E+00 -0.466E-01 +TYR 638 CE2 499 HIS 564 O 185 0.529E+00 0.246E+00 -0.392E-01 +TYR 638 CE2 499 HIS 564 CB 186 0.368E+00 0.176E+00 -0.148E+00 +TYR 638 CE2 499 HIS 564 CG 187 0.410E+00 -0.241E+00 -0.123E+00 +TYR 638 CE2 499 HIS 564 ND1 188 0.390E+00 0.418E+00 -0.186E+00 +TYR 638 CE2 499 HIS 564 CD2 189 0.532E+00 0.137E+00 -0.356E-01 +TYR 638 CE2 499 HIS 564 CE1 190 0.497E+00 -0.140E-01 -0.512E-01 +TYR 638 CE2 499 HIS 564 NE2 191 0.569E+00 0.386E-01 -0.299E-01 +TYR 638 CE2 499 HIS 564 HD1 193 0.330E+00 -0.248E+00 -0.207E-01 +TYR 638 CE2 499 LEU 565 N 195 0.548E+00 0.153E+00 -0.374E-01 +TYR 638 CE2 499 LEU 565 CA 196 0.625E+00 0.326E-01 -0.159E-01 +TYR 638 CE2 499 LEU 565 C 197 0.745E+00 -0.131E+00 -0.499E-02 +TYR 638 CE2 499 LEU 565 O 198 0.793E+00 0.114E+00 -0.362E-02 +TYR 638 CE2 499 LEU 565 CB 199 0.704E+00 0.366E-01 -0.792E-02 +TYR 638 CE2 499 LEU 565 CG 200 0.691E+00 -0.506E-01 -0.883E-02 +TYR 638 CE2 499 LEU 565 CD1 201 0.840E+00 0.227E-01 -0.277E-02 +TYR 638 CE2 499 LEU 565 CD2 202 0.631E+00 0.388E-01 -0.150E-01 +TYR 638 CE2 499 LEU 566 N 204 0.817E+00 0.686E-01 -0.355E-02 +TYR 638 CE2 499 LEU 566 CA 205 0.940E+00 0.155E-01 -0.141E-02 +TYR 638 CE2 499 LEU 566 C 206 0.932E+00 -0.892E-01 -0.131E-02 +TYR 638 CE2 499 LEU 566 O 207 0.102E+01 0.761E-01 -0.813E-03 +TYR 638 CE2 499 LEU 566 CB 208 0.102E+01 0.195E-01 -0.841E-03 +TYR 638 CE2 499 GLN 567 N 213 0.845E+00 0.706E-01 -0.290E-02 +TYR 638 CE2 499 GLN 567 CA 214 0.860E+00 -0.656E-02 -0.239E-02 +TYR 638 CE2 499 GLN 567 C 215 0.844E+00 -0.767E-01 -0.238E-02 +TYR 638 CE2 499 GLN 567 O 216 0.936E+00 0.874E-01 -0.134E-02 +TYR 638 CE2 499 GLN 567 CB 217 0.787E+00 0.660E-02 -0.406E-02 +TYR 638 CE2 499 GLN 567 CG 218 0.852E+00 0.360E-02 -0.254E-02 +TYR 638 CE2 499 GLN 567 CD 219 0.100E+01 -0.930E-01 -0.844E-03 +TYR 638 CE2 499 LEU 568 N 225 0.754E+00 0.792E-01 -0.573E-02 +TYR 638 CE2 499 LEU 568 CA 226 0.761E+00 0.221E-01 -0.496E-02 +TYR 638 CE2 499 LEU 568 C 227 0.897E+00 -0.949E-01 -0.166E-02 +TYR 638 CE2 499 LEU 568 O 228 0.978E+00 0.807E-01 -0.103E-02 +TYR 638 CE2 499 LEU 568 CB 229 0.654E+00 0.423E-01 -0.122E-01 +TYR 638 CE2 499 LEU 568 CG 230 0.508E+00 -0.979E-01 -0.513E-01 +TYR 638 CE2 499 LEU 568 CD1 231 0.427E+00 0.959E-01 -0.119E+00 +TYR 638 CE2 499 LEU 568 CD2 232 0.529E+00 0.570E-01 -0.411E-01 +TYR 638 CE2 499 THR 569 N 234 0.943E+00 0.374E-01 -0.150E-02 +TYR 638 CE2 499 THR 569 HG1 242 0.104E+01 -0.539E-01 0.000E+00 +TYR 638 CZ 500 ARG 557 C 112 0.104E+01 0.110E+00 -0.692E-03 +TYR 638 CZ 500 ARG 557 O 113 0.921E+00 -0.104E+00 -0.148E-02 +TYR 638 CZ 500 ALA 558 O 130 0.992E+00 -0.890E-01 -0.946E-03 +TYR 638 CZ 500 ILE 559 C 135 0.101E+01 0.882E-01 -0.789E-03 +TYR 638 CZ 500 ILE 559 O 136 0.973E+00 -0.102E+00 -0.106E-02 +TYR 638 CZ 500 GLU 560 N 142 0.965E+00 -0.707E-01 -0.131E-02 +TYR 638 CZ 500 GLU 560 CA 143 0.860E+00 0.641E-02 -0.239E-02 +TYR 638 CZ 500 GLU 560 C 144 0.731E+00 0.126E+00 -0.562E-02 +TYR 638 CZ 500 GLU 560 O 145 0.659E+00 -0.194E+00 -0.108E-01 +TYR 638 CZ 500 GLU 560 CB 146 0.864E+00 0.149E-01 -0.232E-02 +TYR 638 CZ 500 GLU 560 CG 147 0.100E+01 -0.536E-02 -0.956E-03 +TYR 638 CZ 500 GLU 560 CD 148 0.104E+01 0.114E+00 -0.671E-03 +TYR 638 CZ 500 GLU 560 OE1 149 0.971E+00 -0.136E+00 -0.108E-02 +TYR 638 CZ 500 ALA 561 N 152 0.722E+00 -0.111E+00 -0.741E-02 +TYR 638 CZ 500 ALA 561 CA 153 0.625E+00 -0.102E-01 -0.159E-01 +TYR 638 CZ 500 ALA 561 C 154 0.656E+00 0.188E+00 -0.107E-01 +TYR 638 CZ 500 ALA 561 O 155 0.583E+00 -0.235E+00 -0.223E-01 +TYR 638 CZ 500 ALA 561 CB 156 0.681E+00 -0.705E-01 -0.960E-02 +TYR 638 CZ 500 GLN 562 N 158 0.786E+00 -0.907E-01 -0.449E-02 +TYR 638 CZ 500 GLN 562 CA 159 0.851E+00 0.755E-02 -0.255E-02 +TYR 638 CZ 500 GLN 562 C 160 0.841E+00 0.872E-01 -0.242E-02 +TYR 638 CZ 500 GLN 562 O 161 0.869E+00 -0.111E+00 -0.209E-02 +TYR 638 CZ 500 GLN 562 CB 162 0.100E+01 -0.507E-02 -0.974E-03 +TYR 638 CZ 500 GLN 562 CG 163 0.104E+01 -0.299E-02 -0.762E-03 +TYR 638 CZ 500 GLN 563 N 170 0.833E+00 -0.818E-01 -0.315E-02 +TYR 638 CZ 500 GLN 563 CA 171 0.851E+00 0.755E-02 -0.254E-02 +TYR 638 CZ 500 GLN 563 C 172 0.743E+00 0.109E+00 -0.506E-02 +TYR 638 CZ 500 GLN 563 O 173 0.791E+00 -0.131E+00 -0.367E-02 +TYR 638 CZ 500 GLN 563 CB 174 0.885E+00 -0.612E-02 -0.202E-02 +TYR 638 CZ 500 GLN 563 CG 175 0.955E+00 -0.340E-02 -0.128E-02 +TYR 638 CZ 500 HIS 564 N 182 0.614E+00 -0.200E+00 -0.193E-01 +TYR 638 CZ 500 HIS 564 CA 183 0.520E+00 0.170E-01 -0.454E-01 +TYR 638 CZ 500 HIS 564 C 184 0.568E+00 0.297E+00 -0.245E-01 +TYR 638 CZ 500 HIS 564 O 185 0.610E+00 -0.203E+00 -0.172E-01 +TYR 638 CZ 500 HIS 564 CB 186 0.377E+00 -0.186E+00 -0.157E+00 +TYR 638 CZ 500 HIS 564 CG 187 0.370E+00 0.357E+00 -0.134E+00 +TYR 638 CZ 500 HIS 564 ND1 188 0.308E+00 -0.903E+00 0.726E+00 +TYR 638 CZ 500 HIS 564 CD2 189 0.488E+00 -0.189E+00 -0.564E-01 +TYR 638 CZ 500 HIS 564 CE1 190 0.402E+00 0.268E-01 -0.129E+00 +TYR 638 CZ 500 HIS 564 NE2 191 0.497E+00 -0.596E-01 -0.640E-01 +TYR 638 CZ 500 HIS 564 HD1 193 0.233E+00 0.772E+00 -0.403E-01 +TYR 638 CZ 500 LEU 565 N 195 0.609E+00 -0.137E+00 -0.203E-01 +TYR 638 CZ 500 LEU 565 CA 196 0.705E+00 -0.289E-01 -0.779E-02 +TYR 638 CZ 500 LEU 565 C 197 0.829E+00 0.122E+00 -0.264E-02 +TYR 638 CZ 500 LEU 565 O 198 0.891E+00 -0.106E+00 -0.180E-02 +TYR 638 CZ 500 LEU 565 CB 199 0.774E+00 -0.347E-01 -0.449E-02 +TYR 638 CZ 500 LEU 565 CG 200 0.761E+00 0.477E-01 -0.497E-02 +TYR 638 CZ 500 LEU 565 CD1 201 0.909E+00 -0.226E-01 -0.172E-02 +TYR 638 CZ 500 LEU 565 CD2 202 0.722E+00 -0.337E-01 -0.680E-02 +TYR 638 CZ 500 LEU 566 N 204 0.885E+00 -0.680E-01 -0.220E-02 +TYR 638 CZ 500 LEU 566 CA 205 0.101E+01 -0.158E-01 -0.918E-03 +TYR 638 CZ 500 LEU 566 C 206 0.101E+01 0.895E-01 -0.815E-03 +TYR 638 CZ 500 GLN 567 N 213 0.917E+00 -0.700E-01 -0.178E-02 +TYR 638 CZ 500 GLN 567 CA 214 0.937E+00 0.647E-02 -0.144E-02 +TYR 638 CZ 500 GLN 567 C 215 0.938E+00 0.731E-01 -0.126E-02 +TYR 638 CZ 500 GLN 567 O 216 0.104E+01 -0.851E-01 -0.733E-03 +TYR 638 CZ 500 GLN 567 CB 217 0.851E+00 -0.654E-02 -0.256E-02 +TYR 638 CZ 500 GLN 567 CG 218 0.893E+00 -0.377E-02 -0.191E-02 +TYR 638 CZ 500 GLN 567 CD 219 0.105E+01 0.992E-01 -0.661E-03 +TYR 638 CZ 500 LEU 568 N 225 0.858E+00 -0.714E-01 -0.264E-02 +TYR 638 CZ 500 LEU 568 CA 226 0.880E+00 -0.195E-01 -0.209E-02 +TYR 638 CZ 500 LEU 568 C 227 0.102E+01 0.884E-01 -0.774E-03 +TYR 638 CZ 500 LEU 568 CB 229 0.780E+00 -0.342E-01 -0.428E-02 +TYR 638 CZ 500 LEU 568 CG 230 0.634E+00 0.680E-01 -0.146E-01 +TYR 638 CZ 500 LEU 568 CD1 231 0.563E+00 -0.563E-01 -0.292E-01 +TYR 638 CZ 500 LEU 568 CD2 232 0.651E+00 -0.413E-01 -0.125E-01 +TYR 638 OH 501 ARG 557 O 113 0.959E+00 0.199E+00 -0.131E-02 +TYR 638 OH 501 ILE 559 O 136 0.101E+01 0.197E+00 -0.950E-03 +TYR 638 OH 501 GLU 560 N 142 0.990E+00 0.139E+00 -0.130E-02 +TYR 638 OH 501 GLU 560 CA 143 0.872E+00 -0.128E-01 -0.254E-02 +TYR 638 OH 501 GLU 560 C 144 0.757E+00 -0.241E+00 -0.526E-02 +TYR 638 OH 501 GLU 560 O 145 0.683E+00 0.369E+00 -0.996E-02 +TYR 638 OH 501 GLU 560 CB 146 0.859E+00 -0.308E-01 -0.278E-02 +TYR 638 OH 501 GLU 560 CG 147 0.987E+00 0.112E-01 -0.122E-02 +TYR 638 OH 501 GLU 560 CD 148 0.101E+01 -0.243E+00 -0.923E-03 +TYR 638 OH 501 GLU 560 OE1 149 0.936E+00 0.295E+00 -0.151E-02 +TYR 638 OH 501 ALA 561 N 152 0.766E+00 0.203E+00 -0.598E-02 +TYR 638 OH 501 ALA 561 CA 153 0.691E+00 0.171E-01 -0.103E-01 +TYR 638 OH 501 ALA 561 C 154 0.733E+00 -0.310E+00 -0.636E-02 +TYR 638 OH 501 ALA 561 O 155 0.669E+00 0.360E+00 -0.113E-01 +TYR 638 OH 501 ALA 561 CB 156 0.759E+00 0.117E+00 -0.586E-02 +TYR 638 OH 501 GLN 562 N 158 0.861E+00 0.158E+00 -0.299E-02 +TYR 638 OH 501 GLN 562 CA 159 0.933E+00 -0.133E-01 -0.170E-02 +TYR 638 OH 501 GLN 562 C 160 0.911E+00 -0.156E+00 -0.174E-02 +TYR 638 OH 501 GLN 562 O 161 0.943E+00 0.200E+00 -0.145E-02 +TYR 638 OH 501 GLN 563 N 170 0.885E+00 0.151E+00 -0.253E-02 +TYR 638 OH 501 GLN 563 CA 171 0.888E+00 -0.144E-01 -0.229E-02 +TYR 638 OH 501 GLN 563 C 172 0.780E+00 -0.203E+00 -0.441E-02 +TYR 638 OH 501 GLN 563 O 173 0.824E+00 0.249E+00 -0.325E-02 +TYR 638 OH 501 GLN 563 CB 174 0.901E+00 0.122E-01 -0.210E-02 +TYR 638 OH 501 GLN 563 CG 175 0.956E+00 0.693E-02 -0.147E-02 +TYR 638 OH 501 HIS 564 N 182 0.653E+00 0.359E+00 -0.155E-01 +TYR 638 OH 501 HIS 564 CA 183 0.561E+00 -0.291E-01 -0.346E-01 +TYR 638 OH 501 HIS 564 C 184 0.632E+00 -0.482E+00 -0.154E-01 +TYR 638 OH 501 HIS 564 O 185 0.666E+00 0.347E+00 -0.117E-01 +TYR 638 OH 501 HIS 564 CB 186 0.426E+00 0.277E+00 -0.153E+00 +TYR 638 OH 501 HIS 564 CG 187 0.374E+00 -0.710E+00 -0.212E+00 +TYR 638 OH 501 HIS 564 ND1 188 0.293E+00 0.212E+01 0.106E+01 +TYR 638 OH 501 HIS 564 CD2 189 0.463E+00 0.441E+00 -0.899E-01 +TYR 638 OH 501 HIS 564 CE1 190 0.348E+00 -0.806E-01 -0.201E+00 +TYR 638 OH 501 HIS 564 NE2 191 0.444E+00 0.160E+00 -0.138E+00 +TYR 638 OH 501 HIS 564 HD1 193 0.241E+00 -0.142E+01 -0.893E-01 +TYR 638 OH 501 LEU 565 N 195 0.693E+00 0.215E+00 -0.109E-01 +TYR 638 OH 501 LEU 565 CA 196 0.801E+00 0.468E-01 -0.424E-02 +TYR 638 OH 501 LEU 565 C 197 0.912E+00 -0.213E+00 -0.173E-02 +TYR 638 OH 501 LEU 565 O 198 0.973E+00 0.188E+00 -0.120E-02 +TYR 638 OH 501 LEU 565 CB 199 0.881E+00 0.567E-01 -0.239E-02 +TYR 638 OH 501 LEU 565 CG 200 0.882E+00 -0.755E-01 -0.238E-02 +TYR 638 OH 501 LEU 565 CD1 201 0.103E+01 0.380E-01 -0.929E-03 +TYR 638 OH 501 LEU 565 CD2 202 0.848E+00 0.516E-01 -0.302E-02 +TYR 638 OH 501 LEU 566 N 204 0.958E+00 0.123E+00 -0.158E-02 +TYR 638 OH 501 GLN 567 N 213 0.957E+00 0.134E+00 -0.159E-02 +TYR 638 OH 501 GLN 567 CA 214 0.962E+00 -0.127E-01 -0.142E-02 +TYR 638 OH 501 GLN 567 C 215 0.971E+00 -0.142E+00 -0.119E-02 +TYR 638 OH 501 GLN 567 CB 217 0.858E+00 0.132E-01 -0.282E-02 +TYR 638 OH 501 GLN 567 CG 218 0.888E+00 0.778E-02 -0.229E-02 +TYR 638 OH 501 GLN 567 CD 219 0.104E+01 -0.205E+00 -0.801E-03 +TYR 638 OH 501 LEU 568 N 225 0.907E+00 0.134E+00 -0.219E-02 +TYR 638 OH 501 LEU 568 CA 226 0.935E+00 0.362E-01 -0.169E-02 +TYR 638 OH 501 LEU 568 CB 229 0.850E+00 0.602E-01 -0.297E-02 +TYR 638 OH 501 LEU 568 CG 230 0.698E+00 -0.114E+00 -0.961E-02 +TYR 638 OH 501 LEU 568 CD1 231 0.648E+00 0.851E-01 -0.150E-01 +TYR 638 OH 501 LEU 568 CD2 232 0.690E+00 0.752E-01 -0.104E-01 +TYR 638 HH 503 ARG 557 C 112 0.101E+01 0.181E+00 0.000E+00 +TYR 638 HH 503 ARG 557 O 113 0.904E+00 -0.171E+00 0.000E+00 +TYR 638 HH 503 ALA 558 O 130 0.103E+01 -0.134E+00 0.000E+00 +TYR 638 HH 503 ILE 559 C 135 0.102E+01 0.141E+00 0.000E+00 +TYR 638 HH 503 ILE 559 O 136 0.987E+00 -0.160E+00 0.000E+00 +TYR 638 HH 503 GLU 560 N 142 0.945E+00 -0.117E+00 0.000E+00 +TYR 638 HH 503 GLU 560 CA 143 0.826E+00 0.110E-01 0.000E+00 +TYR 638 HH 503 GLU 560 C 144 0.720E+00 0.207E+00 0.000E+00 +TYR 638 HH 503 GLU 560 O 145 0.656E+00 -0.314E+00 0.000E+00 +TYR 638 HH 503 GLU 560 CB 146 0.800E+00 0.273E-01 0.000E+00 +TYR 638 HH 503 GLU 560 CG 147 0.922E+00 -0.975E-02 0.000E+00 +TYR 638 HH 503 GLU 560 CD 148 0.938E+00 0.214E+00 0.000E+00 +TYR 638 HH 503 GLU 560 OE1 149 0.857E+00 -0.267E+00 0.000E+00 +TYR 638 HH 503 ALA 561 N 152 0.729E+00 -0.174E+00 0.000E+00 +TYR 638 HH 503 ALA 561 CA 153 0.665E+00 -0.144E-01 0.000E+00 +TYR 638 HH 503 ALA 561 C 154 0.726E+00 0.248E+00 0.000E+00 +TYR 638 HH 503 ALA 561 O 155 0.676E+00 -0.277E+00 0.000E+00 +TYR 638 HH 503 ALA 561 CB 156 0.731E+00 -0.986E-01 0.000E+00 +TYR 638 HH 503 GLN 562 N 158 0.852E+00 -0.126E+00 0.000E+00 +TYR 638 HH 503 GLN 562 CA 159 0.936E+00 0.104E-01 0.000E+00 +TYR 638 HH 503 GLN 562 C 160 0.921E+00 0.121E+00 0.000E+00 +TYR 638 HH 503 GLN 562 O 161 0.964E+00 -0.151E+00 0.000E+00 +TYR 638 HH 503 GLN 563 N 170 0.885E+00 -0.119E+00 0.000E+00 +TYR 638 HH 503 GLN 563 CA 171 0.892E+00 0.112E-01 0.000E+00 +TYR 638 HH 503 GLN 563 C 172 0.796E+00 0.154E+00 0.000E+00 +TYR 638 HH 503 GLN 563 O 173 0.851E+00 -0.185E+00 0.000E+00 +TYR 638 HH 503 GLN 563 CB 174 0.892E+00 -0.968E-02 0.000E+00 +TYR 638 HH 503 GLN 563 CG 175 0.952E+00 -0.546E-02 0.000E+00 +TYR 638 HH 503 HIS 564 N 182 0.669E+00 -0.269E+00 0.000E+00 +TYR 638 HH 503 HIS 564 CA 183 0.594E+00 0.201E-01 0.000E+00 +TYR 638 HH 503 HIS 564 C 184 0.681E+00 0.325E+00 0.000E+00 +TYR 638 HH 503 HIS 564 O 185 0.725E+00 -0.230E+00 0.000E+00 +TYR 638 HH 503 HIS 564 CB 186 0.457E+00 -0.181E+00 0.000E+00 +TYR 638 HH 503 HIS 564 CG 187 0.380E+00 0.535E+00 0.000E+00 +TYR 638 HH 503 HIS 564 ND1 188 0.274E+00 -0.203E+01 0.000E+00 +TYR 638 HH 503 HIS 564 CD2 189 0.457E+00 -0.356E+00 0.000E+00 +TYR 638 HH 503 HIS 564 CE1 190 0.303E+00 0.929E-01 0.000E+00 +TYR 638 HH 503 HIS 564 NE2 191 0.415E+00 -0.150E+00 0.000E+00 +TYR 638 HH 503 HIS 564 HD1 193 0.222E+00 0.142E+01 0.000E+00 +TYR 638 HH 503 LEU 565 N 195 0.738E+00 -0.150E+00 0.000E+00 +TYR 638 HH 503 LEU 565 CA 196 0.853E+00 -0.329E-01 0.000E+00 +TYR 638 HH 503 LEU 565 C 197 0.966E+00 0.153E+00 0.000E+00 +TYR 638 HH 503 LEU 565 O 198 0.104E+01 -0.135E+00 0.000E+00 +TYR 638 HH 503 LEU 565 CB 199 0.926E+00 -0.411E-01 0.000E+00 +TYR 638 HH 503 LEU 565 CG 200 0.927E+00 0.547E-01 0.000E+00 +TYR 638 HH 503 LEU 565 CD2 202 0.904E+00 -0.364E-01 0.000E+00 +TYR 638 HH 503 LEU 566 N 204 0.100E+01 -0.898E-01 0.000E+00 +TYR 638 HH 503 GLN 567 N 213 0.101E+01 -0.971E-01 0.000E+00 +TYR 638 HH 503 GLN 567 CA 214 0.102E+01 0.914E-02 0.000E+00 +TYR 638 HH 503 GLN 567 C 215 0.104E+01 0.101E+00 0.000E+00 +TYR 638 HH 503 GLN 567 CB 217 0.910E+00 -0.938E-02 0.000E+00 +TYR 638 HH 503 GLN 567 CG 218 0.926E+00 -0.571E-02 0.000E+00 +TYR 638 HH 503 LEU 568 N 225 0.978E+00 -0.930E-01 0.000E+00 +TYR 638 HH 503 LEU 568 CA 226 0.101E+01 -0.251E-01 0.000E+00 +TYR 638 HH 503 LEU 568 CB 229 0.933E+00 -0.406E-01 0.000E+00 +TYR 638 HH 503 LEU 568 CG 230 0.782E+00 0.726E-01 0.000E+00 +TYR 638 HH 503 LEU 568 CD1 231 0.734E+00 -0.523E-01 0.000E+00 +TYR 638 HH 503 LEU 568 CD2 232 0.777E+00 -0.471E-01 0.000E+00 +THR 639 N 504 ARG 557 O 113 0.996E+00 0.110E+00 -0.113E-02 +THR 639 N 504 ALA 558 CA 128 0.100E+01 0.525E-02 -0.117E-02 +THR 639 N 504 ALA 558 C 129 0.998E+00 -0.108E+00 -0.107E-02 +THR 639 N 504 ALA 558 O 130 0.898E+00 0.123E+00 -0.209E-02 +THR 639 N 504 GLU 560 C 144 0.961E+00 -0.940E-01 -0.135E-02 +THR 639 N 504 GLU 560 O 145 0.943E+00 0.122E+00 -0.156E-02 +THR 639 N 504 ALA 561 N 152 0.869E+00 0.950E-01 -0.301E-02 +THR 639 N 504 ALA 561 CA 153 0.727E+00 0.901E-02 -0.806E-02 +THR 639 N 504 ALA 561 C 154 0.693E+00 -0.201E+00 -0.947E-02 +THR 639 N 504 ALA 561 O 155 0.645E+00 0.226E+00 -0.151E-01 +THR 639 N 504 ALA 561 CB 156 0.663E+00 0.883E-01 -0.138E-01 +THR 639 N 504 GLN 562 N 158 0.766E+00 0.113E+00 -0.641E-02 +THR 639 N 504 GLN 562 CA 159 0.779E+00 -0.105E-01 -0.532E-02 +THR 639 N 504 GLN 562 C 160 0.860E+00 -0.100E+00 -0.262E-02 +THR 639 N 504 GLN 562 O 161 0.863E+00 0.134E+00 -0.265E-02 +THR 639 N 504 GLN 562 CB 162 0.873E+00 0.744E-02 -0.269E-02 +THR 639 N 504 GLN 562 CG 163 0.817E+00 0.520E-02 -0.400E-02 +THR 639 N 504 GLN 562 CD 164 0.934E+00 -0.140E+00 -0.159E-02 +THR 639 N 504 GLN 562 OE1 165 0.105E+01 0.111E+00 -0.832E-03 +THR 639 N 504 GLN 562 NE2 166 0.918E+00 0.190E+00 -0.217E-02 +THR 639 N 504 GLN 563 N 170 0.948E+00 0.790E-01 -0.179E-02 +THR 639 N 504 GLN 563 CA 171 0.104E+01 -0.656E-02 -0.932E-03 +THR 639 N 504 GLN 563 C 172 0.984E+00 -0.808E-01 -0.117E-02 +THR 639 N 504 GLN 563 O 173 0.104E+01 0.101E+00 -0.884E-03 +THR 639 N 504 HIS 564 N 182 0.896E+00 0.118E+00 -0.252E-02 +THR 639 N 504 HIS 564 CA 183 0.857E+00 -0.743E-02 -0.300E-02 +THR 639 N 504 HIS 564 C 184 0.799E+00 -0.179E+00 -0.407E-02 +THR 639 N 504 HIS 564 O 185 0.862E+00 0.126E+00 -0.268E-02 +THR 639 N 504 HIS 564 CB 186 0.783E+00 0.426E-01 -0.517E-02 +THR 639 N 504 HIS 564 CG 187 0.884E+00 -0.634E-01 -0.221E-02 +THR 639 N 504 HIS 564 ND1 188 0.881E+00 0.971E-01 -0.278E-02 +THR 639 N 504 HIS 564 CD2 189 0.102E+01 0.548E-01 -0.958E-03 +THR 639 N 504 HIS 564 CE1 190 0.100E+01 -0.489E-02 -0.105E-02 +THR 639 N 504 HIS 564 HD1 193 0.811E+00 -0.422E-01 -0.120E-03 +THR 639 N 504 LEU 565 N 195 0.708E+00 0.120E+00 -0.102E-01 +THR 639 N 504 LEU 565 CA 196 0.685E+00 0.364E-01 -0.114E-01 +THR 639 N 504 LEU 565 C 197 0.826E+00 -0.146E+00 -0.333E-02 +THR 639 N 504 LEU 565 O 198 0.875E+00 0.129E+00 -0.245E-02 +THR 639 N 504 LEU 565 CB 199 0.612E+00 0.652E-01 -0.221E-01 +THR 639 N 504 LEU 565 CG 200 0.468E+00 -0.161E+00 -0.992E-01 +THR 639 N 504 LEU 565 CD1 201 0.505E+00 0.859E-01 -0.666E-01 +THR 639 N 504 LEU 565 CD2 202 0.423E+00 0.133E+00 -0.160E+00 +THR 639 N 504 LEU 566 N 204 0.914E+00 0.767E-01 -0.223E-02 +THR 639 N 504 LEU 568 N 225 0.105E+01 0.625E-01 -0.980E-03 +THR 639 N 504 LEU 568 CA 226 0.104E+01 0.180E-01 -0.960E-03 +THR 639 N 504 LEU 568 CB 229 0.899E+00 0.320E-01 -0.226E-02 +THR 639 N 504 LEU 568 CG 230 0.848E+00 -0.469E-01 -0.320E-02 +THR 639 N 504 LEU 568 CD1 231 0.719E+00 0.404E-01 -0.859E-02 +THR 639 N 504 LEU 568 CD2 232 0.965E+00 0.244E-01 -0.148E-02 +THR 639 N 504 THR 569 CG2 240 0.101E+01 0.327E-01 -0.113E-02 +THR 639 CA 505 ARG 557 O 113 0.103E+01 0.116E+00 -0.869E-03 +THR 639 CA 505 ALA 558 CA 128 0.996E+00 0.587E-02 -0.112E-02 +THR 639 CA 505 ALA 558 C 129 0.998E+00 -0.119E+00 -0.983E-03 +THR 639 CA 505 ALA 558 O 130 0.901E+00 0.136E+00 -0.190E-02 +THR 639 CA 505 ALA 558 CB 131 0.104E+01 0.451E-01 -0.855E-03 +THR 639 CA 505 GLU 560 C 144 0.102E+01 -0.946E-01 -0.843E-03 +THR 639 CA 505 GLU 560 O 145 0.102E+01 0.120E+00 -0.916E-03 +THR 639 CA 505 ALA 561 N 152 0.924E+00 0.952E-01 -0.192E-02 +THR 639 CA 505 ALA 561 CA 153 0.787E+00 0.860E-02 -0.457E-02 +THR 639 CA 505 ALA 561 C 154 0.749E+00 -0.192E+00 -0.548E-02 +THR 639 CA 505 ALA 561 O 155 0.716E+00 0.203E+00 -0.752E-02 +THR 639 CA 505 ALA 561 CB 156 0.708E+00 0.860E-01 -0.861E-02 +THR 639 CA 505 GLN 562 N 158 0.801E+00 0.115E+00 -0.449E-02 +THR 639 CA 505 GLN 562 CA 159 0.806E+00 -0.109E-01 -0.397E-02 +THR 639 CA 505 GLN 562 C 160 0.902E+00 -0.102E+00 -0.180E-02 +THR 639 CA 505 GLN 562 O 161 0.905E+00 0.137E+00 -0.185E-02 +THR 639 CA 505 GLN 562 CB 162 0.879E+00 0.815E-02 -0.237E-02 +THR 639 CA 505 GLN 562 CG 163 0.802E+00 0.595E-02 -0.411E-02 +THR 639 CA 505 GLN 562 CD 164 0.902E+00 -0.163E+00 -0.180E-02 +THR 639 CA 505 GLN 562 OE1 165 0.102E+01 0.127E+00 -0.900E-03 +THR 639 CA 505 GLN 562 NE2 166 0.867E+00 0.230E+00 -0.281E-02 +THR 639 CA 505 GLN 563 N 170 0.999E+00 0.807E-01 -0.120E-02 +THR 639 CA 505 HIS 564 N 182 0.983E+00 0.113E+00 -0.133E-02 +THR 639 CA 505 HIS 564 CA 183 0.959E+00 -0.687E-02 -0.141E-02 +THR 639 CA 505 HIS 564 C 184 0.896E+00 -0.163E+00 -0.187E-02 +THR 639 CA 505 HIS 564 O 185 0.963E+00 0.117E+00 -0.127E-02 +THR 639 CA 505 HIS 564 CB 186 0.895E+00 0.375E-01 -0.212E-02 +THR 639 CA 505 HIS 564 CG 187 0.998E+00 -0.581E-01 -0.980E-03 +THR 639 CA 505 HIS 564 ND1 188 0.998E+00 0.884E-01 -0.121E-02 +THR 639 CA 505 HIS 564 HD1 193 0.932E+00 -0.371E-01 -0.512E-04 +THR 639 CA 505 LEU 565 N 195 0.793E+00 0.108E+00 -0.478E-02 +THR 639 CA 505 LEU 565 CA 196 0.757E+00 0.333E-01 -0.577E-02 +THR 639 CA 505 LEU 565 C 197 0.889E+00 -0.143E+00 -0.196E-02 +THR 639 CA 505 LEU 565 O 198 0.938E+00 0.128E+00 -0.150E-02 +THR 639 CA 505 LEU 565 CB 199 0.661E+00 0.616E-01 -0.129E-01 +THR 639 CA 505 LEU 565 CG 200 0.510E+00 -0.145E+00 -0.571E-01 +THR 639 CA 505 LEU 565 CD1 201 0.503E+00 0.956E-01 -0.611E-01 +THR 639 CA 505 LEU 565 CD2 202 0.487E+00 0.103E+00 -0.726E-01 +THR 639 CA 505 LEU 566 N 204 0.971E+00 0.772E-01 -0.142E-02 +THR 639 CA 505 LEU 568 CB 229 0.997E+00 0.302E-01 -0.112E-02 +THR 639 CA 505 LEU 568 CG 230 0.961E+00 -0.425E-01 -0.139E-02 +THR 639 CA 505 LEU 568 CD1 231 0.837E+00 0.340E-01 -0.318E-02 +THR 639 CA 505 THR 569 CG2 240 0.104E+01 0.347E-01 -0.868E-03 +THR 639 C 506 ARG 557 O 113 0.102E+01 -0.240E+00 -0.782E-03 +THR 639 C 506 ALA 558 CA 128 0.985E+00 -0.123E-01 -0.106E-02 +THR 639 C 506 ALA 558 C 129 0.101E+01 0.242E+00 -0.808E-03 +THR 639 C 506 ALA 558 O 130 0.927E+00 -0.268E+00 -0.142E-02 +THR 639 C 506 ALA 558 CB 131 0.102E+01 -0.957E-01 -0.846E-03 +THR 639 C 506 ALA 561 N 152 0.962E+00 -0.185E+00 -0.133E-02 +THR 639 C 506 ALA 561 CA 153 0.832E+00 -0.161E-01 -0.292E-02 +THR 639 C 506 ALA 561 C 154 0.817E+00 0.339E+00 -0.288E-02 +THR 639 C 506 ALA 561 O 155 0.802E+00 -0.341E+00 -0.338E-02 +THR 639 C 506 ALA 561 CB 156 0.730E+00 -0.168E+00 -0.636E-02 +THR 639 C 506 GLN 562 N 158 0.869E+00 -0.207E+00 -0.245E-02 +THR 639 C 506 GLN 562 CA 159 0.892E+00 0.190E-01 -0.192E-02 +THR 639 C 506 GLN 562 C 160 0.100E+01 0.180E+00 -0.857E-03 +THR 639 C 506 GLN 562 O 161 0.102E+01 -0.237E+00 -0.810E-03 +THR 639 C 506 GLN 562 CB 162 0.957E+00 -0.147E-01 -0.126E-02 +THR 639 C 506 GLN 562 CG 163 0.865E+00 -0.108E-01 -0.231E-02 +THR 639 C 506 GLN 562 CD 164 0.958E+00 0.307E+00 -0.111E-02 +THR 639 C 506 GLN 562 NE2 166 0.919E+00 -0.433E+00 -0.176E-02 +THR 639 C 506 HIS 564 C 184 0.102E+01 0.277E+00 -0.768E-03 +THR 639 C 506 HIS 564 CB 186 0.992E+00 -0.662E-01 -0.102E-02 +THR 639 C 506 HIS 564 HD1 193 0.993E+00 0.696E-01 -0.310E-04 +THR 639 C 506 LEU 565 N 195 0.919E+00 -0.174E+00 -0.176E-02 +THR 639 C 506 LEU 565 CA 196 0.896E+00 -0.515E-01 -0.188E-02 +THR 639 C 506 LEU 565 C 197 0.103E+01 0.236E+00 -0.717E-03 +THR 639 C 506 LEU 565 CB 199 0.798E+00 -0.892E-01 -0.374E-02 +THR 639 C 506 LEU 565 CG 200 0.650E+00 0.176E+00 -0.126E-01 +THR 639 C 506 LEU 565 CD1 201 0.642E+00 -0.115E+00 -0.136E-01 +THR 639 C 506 LEU 565 CD2 202 0.636E+00 -0.118E+00 -0.143E-01 +THR 639 C 506 LEU 568 CD1 231 0.967E+00 -0.557E-01 -0.119E-02 +THR 639 O 507 ARG 557 O 113 0.100E+01 0.244E+00 -0.893E-03 +THR 639 O 507 ALA 558 N 127 0.104E+01 0.163E+00 -0.883E-03 +THR 639 O 507 ALA 558 CA 128 0.936E+00 0.131E-01 -0.151E-02 +THR 639 O 507 ALA 558 C 129 0.971E+00 -0.253E+00 -0.108E-02 +THR 639 O 507 ALA 558 O 130 0.894E+00 0.280E+00 -0.179E-02 +THR 639 O 507 ALA 558 CB 131 0.957E+00 0.104E+00 -0.132E-02 +THR 639 O 507 ALA 561 N 152 0.970E+00 0.180E+00 -0.132E-02 +THR 639 O 507 ALA 561 CA 153 0.849E+00 0.154E-01 -0.270E-02 +THR 639 O 507 ALA 561 C 154 0.836E+00 -0.321E+00 -0.263E-02 +THR 639 O 507 ALA 561 O 155 0.838E+00 0.312E+00 -0.265E-02 +THR 639 O 507 ALA 561 CB 156 0.735E+00 0.163E+00 -0.641E-02 +THR 639 O 507 GLN 562 N 158 0.873E+00 0.203E+00 -0.247E-02 +THR 639 O 507 GLN 562 CA 159 0.896E+00 -0.186E-01 -0.196E-02 +THR 639 O 507 GLN 562 C 160 0.102E+01 -0.173E+00 -0.814E-03 +THR 639 O 507 GLN 562 O 161 0.104E+01 0.226E+00 -0.720E-03 +THR 639 O 507 GLN 562 CB 162 0.943E+00 0.148E-01 -0.144E-02 +THR 639 O 507 GLN 562 CG 163 0.836E+00 0.113E-01 -0.296E-02 +THR 639 O 507 GLN 562 CD 164 0.915E+00 -0.325E+00 -0.154E-02 +THR 639 O 507 GLN 562 OE1 165 0.103E+01 0.255E+00 -0.768E-03 +THR 639 O 507 GLN 562 NE2 166 0.865E+00 0.470E+00 -0.263E-02 +THR 639 O 507 LEU 565 N 195 0.979E+00 0.156E+00 -0.125E-02 +THR 639 O 507 LEU 565 CA 196 0.956E+00 0.458E-01 -0.133E-02 +THR 639 O 507 LEU 565 CB 199 0.846E+00 0.796E-01 -0.277E-02 +THR 639 O 507 LEU 565 CG 200 0.701E+00 -0.149E+00 -0.847E-02 +THR 639 O 507 LEU 565 CD1 201 0.674E+00 0.103E+00 -0.107E-01 +THR 639 O 507 LEU 565 CD2 202 0.710E+00 0.930E-01 -0.785E-02 +THR 639 CB 508 ALA 558 O 130 0.103E+01 -0.979E-01 -0.873E-03 +THR 639 CB 508 ALA 561 CA 153 0.921E+00 -0.581E-02 -0.180E-02 +THR 639 CB 508 ALA 561 C 154 0.868E+00 0.130E+00 -0.226E-02 +THR 639 CB 508 ALA 561 O 155 0.825E+00 -0.138E+00 -0.322E-02 +THR 639 CB 508 ALA 561 CB 156 0.849E+00 -0.544E-01 -0.291E-02 +THR 639 CB 508 GLN 562 N 158 0.915E+00 -0.810E-01 -0.203E-02 +THR 639 CB 508 GLN 562 CA 159 0.902E+00 0.793E-02 -0.203E-02 +THR 639 CB 508 GLN 562 C 160 0.989E+00 0.779E-01 -0.104E-02 +THR 639 CB 508 GLN 562 O 161 0.976E+00 -0.107E+00 -0.118E-02 +THR 639 CB 508 GLN 562 CB 162 0.970E+00 -0.613E-02 -0.132E-02 +THR 639 CB 508 GLN 562 CG 163 0.894E+00 -0.435E-02 -0.215E-02 +THR 639 CB 508 GLN 562 CD 164 0.985E+00 0.125E+00 -0.106E-02 +THR 639 CB 508 GLN 562 NE2 166 0.937E+00 -0.178E+00 -0.176E-02 +THR 639 CB 508 HIS 564 CA 183 0.104E+01 0.535E-02 -0.860E-03 +THR 639 CB 508 HIS 564 C 184 0.961E+00 0.129E+00 -0.124E-02 +THR 639 CB 508 HIS 564 O 185 0.101E+01 -0.949E-01 -0.937E-03 +THR 639 CB 508 HIS 564 CB 186 0.987E+00 -0.283E-01 -0.118E-02 +THR 639 CB 508 HIS 564 HD1 193 0.104E+01 0.275E-01 -0.258E-04 +THR 639 CB 508 LEU 565 N 195 0.857E+00 -0.827E-01 -0.301E-02 +THR 639 CB 508 LEU 565 CA 196 0.799E+00 -0.266E-01 -0.420E-02 +THR 639 CB 508 LEU 565 C 197 0.918E+00 0.119E+00 -0.162E-02 +THR 639 CB 508 LEU 565 O 198 0.948E+00 -0.111E+00 -0.140E-02 +THR 639 CB 508 LEU 565 CB 199 0.702E+00 -0.480E-01 -0.904E-02 +THR 639 CB 508 LEU 565 CG 200 0.550E+00 0.107E+00 -0.376E-01 +THR 639 CB 508 LEU 565 CD1 201 0.520E+00 -0.779E-01 -0.514E-01 +THR 639 CB 508 LEU 565 CD2 202 0.504E+00 -0.837E-01 -0.607E-01 +THR 639 CB 508 LEU 566 N 204 0.101E+01 -0.639E-01 -0.112E-02 +THR 639 CB 508 LEU 568 CB 229 0.996E+00 -0.265E-01 -0.112E-02 +THR 639 CB 508 LEU 568 CG 230 0.979E+00 0.362E-01 -0.124E-02 +THR 639 CB 508 LEU 568 CD1 231 0.854E+00 -0.288E-01 -0.281E-02 +THR 639 CB 508 THR 569 CG2 240 0.100E+01 -0.320E-01 -0.107E-02 +THR 639 OG1 509 ALA 558 O 130 0.102E+01 0.249E+00 -0.898E-03 +THR 639 OG1 509 ALA 561 N 152 0.105E+01 0.176E+00 -0.929E-03 +THR 639 OG1 509 ALA 561 CA 153 0.910E+00 0.150E-01 -0.198E-02 +THR 639 OG1 509 ALA 561 C 154 0.837E+00 -0.350E+00 -0.289E-02 +THR 639 OG1 509 ALA 561 O 155 0.780E+00 0.385E+00 -0.452E-02 +THR 639 OG1 509 ALA 561 CB 156 0.859E+00 0.135E+00 -0.279E-02 +THR 639 OG1 509 GLN 562 N 158 0.880E+00 0.218E+00 -0.261E-02 +THR 639 OG1 509 GLN 562 CA 159 0.849E+00 -0.222E-01 -0.300E-02 +THR 639 OG1 509 GLN 562 C 160 0.920E+00 -0.220E+00 -0.164E-02 +THR 639 OG1 509 GLN 562 O 161 0.892E+00 0.312E+00 -0.202E-02 +THR 639 OG1 509 GLN 562 CB 162 0.919E+00 0.168E-01 -0.186E-02 +THR 639 OG1 509 GLN 562 CG 163 0.857E+00 0.118E-01 -0.282E-02 +THR 639 OG1 509 GLN 562 CD 164 0.951E+00 -0.334E+00 -0.135E-02 +THR 639 OG1 509 GLN 562 NE2 166 0.907E+00 0.475E+00 -0.219E-02 +THR 639 OG1 509 GLN 563 N 170 0.103E+01 0.171E+00 -0.101E-02 +THR 639 OG1 509 HIS 564 N 182 0.100E+01 0.243E+00 -0.118E-02 +THR 639 OG1 509 HIS 564 CA 183 0.968E+00 -0.151E-01 -0.136E-02 +THR 639 OG1 509 HIS 564 C 184 0.873E+00 -0.378E+00 -0.224E-02 +THR 639 OG1 509 HIS 564 O 185 0.917E+00 0.279E+00 -0.171E-02 +THR 639 OG1 509 HIS 564 CB 186 0.930E+00 0.786E-01 -0.174E-02 +THR 639 OG1 509 HIS 564 HD1 193 0.102E+01 -0.718E-01 -0.256E-04 +THR 639 OG1 509 LEU 565 N 195 0.768E+00 0.253E+00 -0.589E-02 +THR 639 OG1 509 LEU 565 CA 196 0.693E+00 0.873E-01 -0.100E-01 +THR 639 OG1 509 LEU 565 C 197 0.803E+00 -0.378E+00 -0.371E-02 +THR 639 OG1 509 LEU 565 O 198 0.824E+00 0.352E+00 -0.326E-02 +THR 639 OG1 509 LEU 565 CB 199 0.599E+00 0.168E+00 -0.238E-01 +THR 639 OG1 509 LEU 565 CG 200 0.450E+00 -0.434E+00 -0.116E+00 +THR 639 OG1 509 LEU 565 CD1 201 0.414E+00 0.344E+00 -0.173E+00 +THR 639 OG1 509 LEU 565 CD2 202 0.394E+00 0.392E+00 -0.210E+00 +THR 639 OG1 509 LEU 566 N 204 0.901E+00 0.193E+00 -0.228E-02 +THR 639 OG1 509 LEU 566 CA 205 0.102E+01 0.453E-01 -0.990E-03 +THR 639 OG1 509 LEU 568 N 225 0.104E+01 0.156E+00 -0.972E-03 +THR 639 OG1 509 LEU 568 CA 226 0.101E+01 0.459E-01 -0.105E-02 +THR 639 OG1 509 LEU 568 C 227 0.104E+01 -0.252E+00 -0.802E-03 +THR 639 OG1 509 LEU 568 CB 229 0.881E+00 0.811E-01 -0.240E-02 +THR 639 OG1 509 LEU 568 CG 230 0.878E+00 -0.109E+00 -0.245E-02 +THR 639 OG1 509 LEU 568 CD1 231 0.762E+00 0.890E-01 -0.572E-02 +THR 639 OG1 509 LEU 568 CD2 232 0.101E+01 0.561E-01 -0.106E-02 +THR 639 OG1 509 THR 569 N 234 0.997E+00 0.114E+00 -0.124E-02 +THR 639 OG1 509 THR 569 CB 238 0.101E+01 -0.108E+00 -0.105E-02 +THR 639 OG1 509 THR 569 CG2 240 0.865E+00 0.102E+00 -0.268E-02 +THR 639 OG1 509 THR 569 HG1 242 0.102E+01 -0.181E+00 0.000E+00 +THR 639 CG2 510 ALA 561 CA 153 0.101E+01 0.375E-02 -0.105E-02 +THR 639 CG2 510 ALA 561 C 154 0.953E+00 -0.829E-01 -0.130E-02 +THR 639 CG2 510 ALA 561 O 155 0.922E+00 0.850E-01 -0.166E-02 +THR 639 CG2 510 ALA 561 CB 156 0.925E+00 0.350E-01 -0.174E-02 +THR 639 CG2 510 GLN 562 N 158 0.983E+00 0.537E-01 -0.132E-02 +THR 639 CG2 510 GLN 562 CA 159 0.964E+00 -0.529E-02 -0.137E-02 +THR 639 CG2 510 GLN 562 O 161 0.105E+01 0.714E-01 -0.766E-03 +THR 639 CG2 510 GLN 562 CB 162 0.101E+01 0.426E-02 -0.103E-02 +THR 639 CG2 510 GLN 562 CG 163 0.918E+00 0.308E-02 -0.183E-02 +THR 639 CG2 510 GLN 562 CD 164 0.990E+00 -0.918E-01 -0.103E-02 +THR 639 CG2 510 GLN 562 NE2 166 0.924E+00 0.135E+00 -0.192E-02 +THR 639 CG2 510 LEU 565 N 195 0.967E+00 0.505E-01 -0.146E-02 +THR 639 CG2 510 LEU 565 CA 196 0.901E+00 0.160E-01 -0.204E-02 +THR 639 CG2 510 LEU 565 C 197 0.101E+01 -0.764E-01 -0.913E-03 +THR 639 CG2 510 LEU 565 O 198 0.104E+01 0.713E-01 -0.803E-03 +THR 639 CG2 510 LEU 565 CB 199 0.789E+00 0.286E-01 -0.452E-02 +THR 639 CG2 510 LEU 565 CG 200 0.639E+00 -0.571E-01 -0.157E-01 +THR 639 CG2 510 LEU 565 CD1 201 0.576E+00 0.456E-01 -0.288E-01 +THR 639 CG2 510 LEU 565 CD2 202 0.614E+00 0.397E-01 -0.198E-01 +THR 639 CG2 510 LEU 568 CD1 231 0.992E+00 0.168E-01 -0.115E-02 +THR 639 HG1 512 ALA 558 O 130 0.103E+01 -0.166E+00 0.000E+00 +THR 639 HG1 512 ALA 561 N 152 0.102E+01 -0.122E+00 0.000E+00 +THR 639 HG1 512 ALA 561 CA 153 0.883E+00 -0.106E-01 0.000E+00 +THR 639 HG1 512 ALA 561 C 154 0.812E+00 0.248E+00 0.000E+00 +THR 639 HG1 512 ALA 561 O 155 0.744E+00 -0.282E+00 0.000E+00 +THR 639 HG1 512 ALA 561 CB 156 0.844E+00 -0.937E-01 0.000E+00 +THR 639 HG1 512 GLN 562 N 158 0.866E+00 -0.151E+00 0.000E+00 +THR 639 HG1 512 GLN 562 CA 159 0.838E+00 0.152E-01 0.000E+00 +THR 639 HG1 512 GLN 562 C 160 0.898E+00 0.154E+00 0.000E+00 +THR 639 HG1 512 GLN 562 O 161 0.868E+00 -0.220E+00 0.000E+00 +THR 639 HG1 512 GLN 562 CB 162 0.921E+00 -0.113E-01 0.000E+00 +THR 639 HG1 512 GLN 562 CG 163 0.873E+00 -0.769E-02 0.000E+00 +THR 639 HG1 512 GLN 562 CD 164 0.977E+00 0.215E+00 0.000E+00 +THR 639 HG1 512 GLN 562 NE2 166 0.945E+00 -0.299E+00 0.000E+00 +THR 639 HG1 512 GLN 563 N 170 0.101E+01 -0.120E+00 0.000E+00 +THR 639 HG1 512 GLN 563 C 172 0.102E+01 0.127E+00 0.000E+00 +THR 639 HG1 512 GLN 563 O 173 0.105E+01 -0.164E+00 0.000E+00 +THR 639 HG1 512 HIS 564 N 182 0.954E+00 -0.177E+00 0.000E+00 +THR 639 HG1 512 HIS 564 CA 183 0.906E+00 0.112E-01 0.000E+00 +THR 639 HG1 512 HIS 564 C 184 0.809E+00 0.290E+00 0.000E+00 +THR 639 HG1 512 HIS 564 O 185 0.848E+00 -0.214E+00 0.000E+00 +THR 639 HG1 512 HIS 564 CB 186 0.863E+00 -0.596E-01 0.000E+00 +THR 639 HG1 512 HIS 564 CG 187 0.991E+00 0.878E-01 0.000E+00 +THR 639 HG1 512 HIS 564 ND1 188 0.101E+01 -0.129E+00 0.000E+00 +THR 639 HG1 512 HIS 564 HD1 193 0.956E+00 0.533E-01 0.000E+00 +THR 639 HG1 512 LEU 565 N 195 0.712E+00 -0.196E+00 0.000E+00 +THR 639 HG1 512 LEU 565 CA 196 0.640E+00 -0.689E-01 0.000E+00 +THR 639 HG1 512 LEU 565 C 197 0.755E+00 0.284E+00 0.000E+00 +THR 639 HG1 512 LEU 565 O 198 0.773E+00 -0.265E+00 0.000E+00 +THR 639 HG1 512 LEU 565 CB 199 0.563E+00 -0.129E+00 0.000E+00 +THR 639 HG1 512 LEU 565 CG 200 0.418E+00 0.353E+00 0.000E+00 +THR 639 HG1 512 LEU 565 CD1 201 0.412E+00 -0.234E+00 0.000E+00 +THR 639 HG1 512 LEU 565 CD2 202 0.335E+00 -0.409E+00 0.000E+00 +THR 639 HG1 512 LEU 566 N 204 0.860E+00 -0.140E+00 0.000E+00 +THR 639 HG1 512 LEU 566 CA 205 0.983E+00 -0.323E-01 0.000E+00 +THR 639 HG1 512 LEU 568 N 225 0.968E+00 -0.116E+00 0.000E+00 +THR 639 HG1 512 LEU 568 CA 226 0.938E+00 -0.347E-01 0.000E+00 +THR 639 HG1 512 LEU 568 C 227 0.970E+00 0.187E+00 0.000E+00 +THR 639 HG1 512 LEU 568 CB 229 0.802E+00 -0.640E-01 0.000E+00 +THR 639 HG1 512 LEU 568 CG 230 0.793E+00 0.870E-01 0.000E+00 +THR 639 HG1 512 LEU 568 CD1 231 0.672E+00 -0.761E-01 0.000E+00 +THR 639 HG1 512 LEU 568 CD2 232 0.921E+00 -0.434E-01 0.000E+00 +THR 639 HG1 512 THR 569 N 234 0.940E+00 -0.838E-01 0.000E+00 +THR 639 HG1 512 THR 569 CA 235 0.100E+01 -0.839E-01 0.000E+00 +THR 639 HG1 512 THR 569 CB 238 0.975E+00 0.770E-01 0.000E+00 +THR 639 HG1 512 THR 569 OG1 239 0.102E+01 -0.181E+00 0.000E+00 +THR 639 HG1 512 THR 569 CG2 240 0.833E+00 -0.732E-01 0.000E+00 +THR 639 HG1 512 THR 569 HG1 242 0.983E+00 0.129E+00 0.000E+00 +SER 640 N 513 ALA 558 O 130 0.101E+01 0.227E+00 -0.103E-02 +SER 640 N 513 ALA 561 N 152 0.102E+01 0.165E+00 -0.119E-02 +SER 640 N 513 ALA 561 CA 153 0.883E+00 0.141E-01 -0.251E-02 +SER 640 N 513 ALA 561 C 154 0.884E+00 -0.287E+00 -0.222E-02 +SER 640 N 513 ALA 561 O 155 0.865E+00 0.289E+00 -0.262E-02 +SER 640 N 513 ALA 561 CB 156 0.781E+00 0.143E+00 -0.525E-02 +SER 640 N 513 GLN 562 N 158 0.950E+00 0.174E+00 -0.176E-02 +SER 640 N 513 GLN 562 CA 159 0.985E+00 -0.157E-01 -0.131E-02 +SER 640 N 513 GLN 562 CG 163 0.975E+00 0.863E-02 -0.139E-02 +SER 640 N 513 GLN 562 NE2 166 0.104E+01 0.346E+00 -0.102E-02 +SER 640 N 513 HIS 564 CB 186 0.102E+01 0.612E-01 -0.105E-02 +SER 640 N 513 HIS 564 HD1 193 0.994E+00 -0.672E-01 -0.353E-04 +SER 640 N 513 LEU 565 N 195 0.980E+00 0.152E+00 -0.147E-02 +SER 640 N 513 LEU 565 CA 196 0.965E+00 0.443E-01 -0.148E-02 +SER 640 N 513 LEU 565 CB 199 0.883E+00 0.727E-01 -0.253E-02 +SER 640 N 513 LEU 565 CG 200 0.736E+00 -0.133E+00 -0.747E-02 +SER 640 N 513 LEU 565 CD1 201 0.746E+00 0.833E-01 -0.691E-02 +SER 640 N 513 LEU 565 CD2 202 0.703E+00 0.930E-01 -0.980E-02 +SER 640 N 513 LEU 568 CD1 231 0.983E+00 0.525E-01 -0.132E-02 +SER 640 CA 514 ALA 561 CA 153 0.952E+00 -0.273E-02 -0.147E-02 +SER 640 CA 514 ALA 561 C 154 0.971E+00 0.540E-01 -0.116E-02 +SER 640 CA 514 ALA 561 O 155 0.965E+00 -0.531E-01 -0.126E-02 +SER 640 CA 514 ALA 561 CB 156 0.836E+00 -0.277E-01 -0.320E-02 +SER 640 CA 514 GLN 562 N 158 0.104E+01 -0.334E-01 -0.968E-03 +SER 640 CA 514 LEU 565 CB 199 0.102E+01 -0.128E-01 -0.999E-03 +SER 640 CA 514 LEU 565 CG 200 0.871E+00 0.216E-01 -0.250E-02 +SER 640 CA 514 LEU 565 CD1 201 0.879E+00 -0.136E-01 -0.238E-02 +SER 640 CA 514 LEU 565 CD2 202 0.845E+00 -0.145E-01 -0.300E-02 +SER 640 C 515 ARG 557 C 112 0.102E+01 0.262E+00 -0.750E-03 +SER 640 C 515 ARG 557 O 113 0.974E+00 -0.223E+00 -0.105E-02 +SER 640 C 515 ARG 557 NH1 119 0.105E+01 -0.239E+00 -0.814E-03 +SER 640 C 515 ALA 558 N 127 0.103E+01 -0.145E+00 -0.909E-03 +SER 640 C 515 ALA 558 CA 128 0.962E+00 -0.110E-01 -0.123E-02 +SER 640 C 515 ALA 558 C 129 0.103E+01 0.204E+00 -0.735E-03 +SER 640 C 515 ALA 558 O 130 0.971E+00 -0.215E+00 -0.107E-02 +SER 640 C 515 ALA 558 CB 131 0.100E+01 -0.850E-01 -0.954E-03 +SER 640 C 515 ALA 561 N 152 0.984E+00 -0.154E+00 -0.117E-02 +SER 640 C 515 ALA 561 CA 153 0.870E+00 -0.129E-01 -0.224E-02 +SER 640 C 515 ALA 561 C 154 0.908E+00 0.246E+00 -0.154E-02 +SER 640 C 515 ALA 561 O 155 0.919E+00 -0.235E+00 -0.150E-02 +SER 640 C 515 ALA 561 CB 156 0.743E+00 -0.140E+00 -0.574E-02 +SER 640 C 515 GLN 562 N 158 0.971E+00 -0.150E+00 -0.126E-02 +SER 640 C 515 GLN 562 CA 159 0.103E+01 0.131E-01 -0.791E-03 +SER 640 C 515 GLN 562 CG 163 0.101E+01 -0.736E-02 -0.936E-03 +SER 640 C 515 HIS 564 HD1 193 0.102E+01 0.580E-01 -0.269E-04 +SER 640 C 515 LEU 565 CB 199 0.103E+01 -0.515E-01 -0.834E-03 +SER 640 C 515 LEU 565 CG 200 0.891E+00 0.853E-01 -0.194E-02 +SER 640 C 515 LEU 565 CD1 201 0.907E+00 -0.530E-01 -0.174E-02 +SER 640 C 515 LEU 565 CD2 202 0.884E+00 -0.552E-01 -0.203E-02 +SER 640 O 516 ARG 557 C 112 0.102E+01 -0.317E+00 -0.798E-03 +SER 640 O 516 ARG 557 O 113 0.986E+00 0.264E+00 -0.999E-03 +SER 640 O 516 ARG 557 NH1 119 0.100E+01 0.306E+00 -0.109E-02 +SER 640 O 516 ALA 558 N 127 0.101E+01 0.178E+00 -0.102E-02 +SER 640 O 516 ALA 558 CA 128 0.951E+00 0.135E-01 -0.137E-02 +SER 640 O 516 ALA 558 C 129 0.103E+01 -0.244E+00 -0.753E-03 +SER 640 O 516 ALA 558 O 130 0.986E+00 0.253E+00 -0.995E-03 +SER 640 O 516 ALA 558 CB 131 0.977E+00 0.106E+00 -0.117E-02 +SER 640 O 516 ALA 561 N 152 0.103E+01 0.174E+00 -0.933E-03 +SER 640 O 516 ALA 561 CA 153 0.924E+00 0.141E-01 -0.163E-02 +SER 640 O 516 ALA 561 C 154 0.968E+00 -0.267E+00 -0.109E-02 +SER 640 O 516 ALA 561 O 155 0.992E+00 0.251E+00 -0.962E-03 +SER 640 O 516 ALA 561 CB 156 0.788E+00 0.151E+00 -0.425E-02 +SER 640 O 516 GLN 562 N 158 0.102E+01 0.168E+00 -0.969E-03 +SER 640 O 516 GLN 562 CG 163 0.104E+01 0.849E-02 -0.826E-03 +SER 640 O 516 LEU 565 CG 200 0.977E+00 -0.888E-01 -0.117E-02 +SER 640 O 516 LEU 565 CD1 201 0.982E+00 0.564E-01 -0.113E-02 +SER 640 O 516 LEU 565 CD2 202 0.983E+00 0.564E-01 -0.113E-02 +SER 640 CB 517 ALA 561 CA 153 0.105E+01 -0.297E-02 -0.841E-03 +SER 640 CB 517 ALA 561 CB 156 0.935E+00 -0.288E-01 -0.164E-02 +SER 640 CB 517 LEU 565 CG 200 0.968E+00 0.228E-01 -0.133E-02 +SER 640 CB 517 LEU 565 CD1 201 0.988E+00 -0.142E-01 -0.118E-02 +SER 640 CB 517 LEU 565 CD2 202 0.923E+00 -0.157E-01 -0.177E-02 +SER 640 OG 518 ALA 561 CB 156 0.104E+01 0.107E+00 -0.893E-03 +SER 640 OG 518 LEU 565 CG 200 0.989E+00 -0.960E-01 -0.120E-02 +SER 640 OG 518 LEU 565 CD1 201 0.100E+01 0.606E-01 -0.113E-02 +SER 640 OG 518 LEU 565 CD2 202 0.929E+00 0.677E-01 -0.175E-02 +SER 640 HG 520 LEU 565 CG 200 0.103E+01 0.630E-01 0.000E+00 +SER 640 HG 520 LEU 565 CD1 201 0.103E+01 -0.405E-01 0.000E+00 +SER 640 HG 520 LEU 565 CD2 202 0.976E+00 -0.437E-01 0.000E+00 +LEU 641 N 521 ARG 557 CA 111 0.103E+01 0.343E-01 -0.101E-02 +LEU 641 N 521 ARG 557 C 112 0.933E+00 -0.221E+00 -0.160E-02 +LEU 641 N 521 ARG 557 O 113 0.876E+00 0.194E+00 -0.243E-02 +LEU 641 N 521 ARG 557 CB 114 0.988E+00 0.103E-01 -0.128E-02 +LEU 641 N 521 ARG 557 NH1 119 0.979E+00 0.193E+00 -0.148E-02 +LEU 641 N 521 ALA 558 N 127 0.949E+00 0.120E+00 -0.177E-02 +LEU 641 N 521 ALA 558 CA 128 0.893E+00 0.910E-02 -0.235E-02 +LEU 641 N 521 ALA 558 C 129 0.953E+00 -0.167E+00 -0.141E-02 +LEU 641 N 521 ALA 558 O 130 0.896E+00 0.179E+00 -0.211E-02 +LEU 641 N 521 ALA 558 CB 131 0.953E+00 0.675E-01 -0.160E-02 +LEU 641 N 521 GLU 560 C 144 0.994E+00 -0.129E+00 -0.110E-02 +LEU 641 N 521 GLU 560 O 145 0.102E+01 0.157E+00 -0.971E-03 +LEU 641 N 521 ALA 561 N 152 0.875E+00 0.136E+00 -0.288E-02 +LEU 641 N 521 ALA 561 CA 153 0.761E+00 0.120E-01 -0.614E-02 +LEU 641 N 521 ALA 561 C 154 0.809E+00 -0.219E+00 -0.376E-02 +LEU 641 N 521 ALA 561 O 155 0.820E+00 0.208E+00 -0.361E-02 +LEU 641 N 521 ALA 561 CB 156 0.638E+00 0.138E+00 -0.173E-01 +LEU 641 N 521 GLN 562 N 158 0.883E+00 0.128E+00 -0.273E-02 +LEU 641 N 521 GLN 562 CA 159 0.957E+00 -0.108E-01 -0.155E-02 +LEU 641 N 521 GLN 562 CB 162 0.103E+01 0.831E-02 -0.974E-03 +LEU 641 N 521 GLN 562 CG 163 0.952E+00 0.587E-02 -0.160E-02 +LEU 641 N 521 GLN 562 NE2 166 0.105E+01 0.226E+00 -0.989E-03 +LEU 641 N 521 HIS 564 CB 186 0.983E+00 0.426E-01 -0.133E-02 +LEU 641 N 521 HIS 564 CG 187 0.103E+01 -0.731E-01 -0.911E-03 +LEU 641 N 521 HIS 564 ND1 188 0.970E+00 0.121E+00 -0.156E-02 +LEU 641 N 521 HIS 564 HD1 193 0.889E+00 -0.524E-01 -0.688E-04 +LEU 641 N 521 LEU 565 N 195 0.101E+01 0.955E-01 -0.123E-02 +LEU 641 N 521 LEU 565 CA 196 0.103E+01 0.262E-01 -0.976E-03 +LEU 641 N 521 LEU 565 CB 199 0.963E+00 0.416E-01 -0.150E-02 +LEU 641 N 521 LEU 565 CG 200 0.837E+00 -0.695E-01 -0.347E-02 +LEU 641 N 521 LEU 565 CD1 201 0.874E+00 0.414E-01 -0.268E-02 +LEU 641 N 521 LEU 565 CD2 202 0.833E+00 0.448E-01 -0.356E-02 +LEU 641 CA 522 ASN 554 O 84 0.957E+00 0.434E-01 -0.132E-02 +LEU 641 CA 522 ARG 557 N 110 0.102E+01 0.226E-01 -0.104E-02 +LEU 641 CA 522 ARG 557 CA 111 0.899E+00 0.120E-01 -0.207E-02 +LEU 641 CA 522 ARG 557 C 112 0.813E+00 -0.789E-01 -0.334E-02 +LEU 641 CA 522 ARG 557 O 113 0.764E+00 0.699E-01 -0.510E-02 +LEU 641 CA 522 ARG 557 CB 114 0.850E+00 0.371E-02 -0.289E-02 +LEU 641 CA 522 ARG 557 CG 115 0.942E+00 -0.102E-02 -0.157E-02 +LEU 641 CA 522 ARG 557 CD 116 0.920E+00 -0.111E-01 -0.181E-02 +LEU 641 CA 522 ARG 557 NE 117 0.969E+00 -0.378E-01 -0.144E-02 +LEU 641 CA 522 ARG 557 CZ 118 0.933E+00 -0.488E-01 -0.147E-02 +LEU 641 CA 522 ARG 557 NH1 119 0.837E+00 0.706E-01 -0.346E-02 +LEU 641 CA 522 ARG 557 NH2 120 0.102E+01 0.520E-01 -0.108E-02 +LEU 641 CA 522 ALA 558 N 127 0.834E+00 0.420E-01 -0.355E-02 +LEU 641 CA 522 ALA 558 CA 128 0.792E+00 0.317E-02 -0.442E-02 +LEU 641 CA 522 ALA 558 C 129 0.865E+00 -0.556E-01 -0.232E-02 +LEU 641 CA 522 ALA 558 O 130 0.822E+00 0.589E-01 -0.328E-02 +LEU 641 CA 522 ALA 558 CB 131 0.856E+00 0.228E-01 -0.278E-02 +LEU 641 CA 522 ILE 559 N 133 0.990E+00 0.356E-01 -0.127E-02 +LEU 641 CA 522 GLU 560 N 142 0.102E+01 0.318E-01 -0.105E-02 +LEU 641 CA 522 GLU 560 CA 143 0.103E+01 -0.239E-02 -0.940E-03 +LEU 641 CA 522 GLU 560 C 144 0.920E+00 -0.415E-01 -0.161E-02 +LEU 641 CA 522 GLU 560 O 145 0.960E+00 0.489E-01 -0.130E-02 +LEU 641 CA 522 GLU 560 CB 146 0.103E+01 -0.558E-02 -0.922E-03 +LEU 641 CA 522 ALA 561 N 152 0.798E+00 0.453E-01 -0.461E-02 +LEU 641 CA 522 ALA 561 CA 153 0.699E+00 0.400E-02 -0.931E-02 +LEU 641 CA 522 ALA 561 C 154 0.769E+00 -0.680E-01 -0.465E-02 +LEU 641 CA 522 ALA 561 O 155 0.799E+00 0.619E-01 -0.390E-02 +LEU 641 CA 522 ALA 561 CB 156 0.567E+00 0.506E-01 -0.313E-01 +LEU 641 CA 522 GLN 562 N 158 0.841E+00 0.395E-01 -0.338E-02 +LEU 641 CA 522 GLN 562 CA 159 0.932E+00 -0.320E-02 -0.167E-02 +LEU 641 CA 522 GLN 562 C 160 0.105E+01 -0.304E-01 -0.737E-03 +LEU 641 CA 522 GLN 562 CB 162 0.100E+01 0.247E-02 -0.107E-02 +LEU 641 CA 522 GLN 562 CG 163 0.923E+00 0.175E-02 -0.176E-02 +LEU 641 CA 522 GLN 562 CD 164 0.103E+01 -0.500E-01 -0.838E-03 +LEU 641 CA 522 GLN 562 NE2 166 0.103E+01 0.660E-01 -0.102E-02 +LEU 641 CA 522 HIS 564 CB 186 0.973E+00 0.123E-01 -0.129E-02 +LEU 641 CA 522 HIS 564 CG 187 0.998E+00 -0.216E-01 -0.982E-03 +LEU 641 CA 522 HIS 564 ND1 188 0.934E+00 0.364E-01 -0.180E-02 +LEU 641 CA 522 HIS 564 CE1 190 0.101E+01 -0.199E-02 -0.915E-03 +LEU 641 CA 522 HIS 564 HD1 193 0.857E+00 -0.158E-01 -0.843E-04 +LEU 641 CA 522 LEU 565 N 195 0.102E+01 0.266E-01 -0.103E-02 +LEU 641 CA 522 LEU 565 CB 199 0.997E+00 0.112E-01 -0.112E-02 +LEU 641 CA 522 LEU 565 CG 200 0.884E+00 -0.180E-01 -0.229E-02 +LEU 641 CA 522 LEU 565 CD1 201 0.928E+00 0.107E-01 -0.172E-02 +LEU 641 CA 522 LEU 565 CD2 202 0.899E+00 0.112E-01 -0.207E-02 +LEU 641 C 523 ASN 554 CA 82 0.992E+00 0.201E-01 -0.102E-02 +LEU 641 C 523 ASN 554 C 83 0.954E+00 0.292E+00 -0.114E-02 +LEU 641 C 523 ASN 554 O 84 0.843E+00 -0.302E+00 -0.251E-02 +LEU 641 C 523 ASN 554 CB 85 0.102E+01 -0.402E-01 -0.863E-03 +LEU 641 C 523 ASN 554 OD1 87 0.103E+01 -0.223E+00 -0.767E-03 +LEU 641 C 523 LEU 555 O 95 0.985E+00 -0.251E+00 -0.987E-03 +LEU 641 C 523 LEU 556 C 103 0.102E+01 0.245E+00 -0.764E-03 +LEU 641 C 523 LEU 556 O 104 0.101E+01 -0.243E+00 -0.854E-03 +LEU 641 C 523 ARG 557 N 110 0.939E+00 -0.146E+00 -0.155E-02 +LEU 641 C 523 ARG 557 CA 111 0.826E+00 -0.783E-01 -0.305E-02 +LEU 641 C 523 ARG 557 C 112 0.726E+00 0.550E+00 -0.581E-02 +LEU 641 C 523 ARG 557 O 113 0.687E+00 -0.484E+00 -0.850E-02 +LEU 641 C 523 ARG 557 CB 114 0.786E+00 -0.241E-01 -0.409E-02 +LEU 641 C 523 ARG 557 CG 115 0.897E+00 0.626E-02 -0.187E-02 +LEU 641 C 523 ARG 557 CD 116 0.889E+00 0.666E-01 -0.197E-02 +LEU 641 C 523 ARG 557 NE 117 0.928E+00 0.229E+00 -0.166E-02 +LEU 641 C 523 ARG 557 CZ 118 0.897E+00 0.295E+00 -0.165E-02 +LEU 641 C 523 ARG 557 NH1 119 0.818E+00 -0.416E+00 -0.352E-02 +LEU 641 C 523 ARG 557 NH2 120 0.973E+00 -0.315E+00 -0.125E-02 +LEU 641 C 523 ARG 557 HE 122 0.100E+01 0.529E-01 -0.297E-04 +LEU 641 C 523 ALA 558 N 127 0.726E+00 -0.305E+00 -0.715E-02 +LEU 641 C 523 ALA 558 CA 128 0.671E+00 -0.246E-01 -0.105E-01 +LEU 641 C 523 ALA 558 C 129 0.749E+00 0.405E+00 -0.483E-02 +LEU 641 C 523 ALA 558 O 130 0.711E+00 -0.435E+00 -0.692E-02 +LEU 641 C 523 ALA 558 CB 131 0.720E+00 -0.176E+00 -0.691E-02 +LEU 641 C 523 ILE 559 N 133 0.878E+00 -0.243E+00 -0.231E-02 +LEU 641 C 523 ILE 559 CA 134 0.982E+00 -0.461E-01 -0.108E-02 +LEU 641 C 523 ILE 559 C 135 0.971E+00 0.262E+00 -0.103E-02 +LEU 641 C 523 ILE 559 O 136 0.101E+01 -0.270E+00 -0.859E-03 +LEU 641 C 523 GLU 560 N 142 0.946E+00 -0.203E+00 -0.148E-02 +LEU 641 C 523 GLU 560 CA 143 0.969E+00 0.148E-01 -0.117E-02 +LEU 641 C 523 GLU 560 C 144 0.871E+00 0.257E+00 -0.197E-02 +LEU 641 C 523 GLU 560 O 145 0.924E+00 -0.295E+00 -0.145E-02 +LEU 641 C 523 GLU 560 CB 146 0.984E+00 0.338E-01 -0.107E-02 +LEU 641 C 523 ALA 561 N 152 0.742E+00 -0.293E+00 -0.631E-02 +LEU 641 C 523 ALA 561 CA 153 0.653E+00 -0.260E-01 -0.123E-01 +LEU 641 C 523 ALA 561 C 154 0.716E+00 0.441E+00 -0.634E-02 +LEU 641 C 523 ALA 561 O 155 0.762E+00 -0.382E+00 -0.458E-02 +LEU 641 C 523 ALA 561 CB 156 0.508E+00 -0.370E+00 -0.515E-01 +LEU 641 C 523 GLN 562 N 158 0.766E+00 -0.264E+00 -0.523E-02 +LEU 641 C 523 GLN 562 CA 159 0.853E+00 0.209E-01 -0.251E-02 +LEU 641 C 523 GLN 562 C 160 0.982E+00 0.190E+00 -0.963E-03 +LEU 641 C 523 GLN 562 CB 162 0.907E+00 -0.164E-01 -0.174E-02 +LEU 641 C 523 GLN 562 CG 163 0.813E+00 -0.123E-01 -0.335E-02 +LEU 641 C 523 GLN 562 CD 164 0.902E+00 0.345E+00 -0.159E-02 +LEU 641 C 523 GLN 562 OE1 165 0.988E+00 -0.282E+00 -0.968E-03 +LEU 641 C 523 GLN 562 NE2 166 0.899E+00 -0.458E+00 -0.201E-02 +LEU 641 C 523 GLN 563 N 170 0.103E+01 -0.164E+00 -0.898E-03 +LEU 641 C 523 HIS 564 CB 186 0.984E+00 -0.686E-01 -0.107E-02 +LEU 641 C 523 HIS 564 CG 187 0.101E+01 0.120E+00 -0.793E-03 +LEU 641 C 523 HIS 564 ND1 188 0.962E+00 -0.197E+00 -0.133E-02 +LEU 641 C 523 HIS 564 CE1 190 0.104E+01 0.109E-01 -0.693E-03 +LEU 641 C 523 HIS 564 HD1 193 0.895E+00 0.836E-01 -0.578E-04 +LEU 641 C 523 LEU 565 N 195 0.101E+01 -0.154E+00 -0.101E-02 +LEU 641 C 523 LEU 565 CA 196 0.105E+01 -0.417E-01 -0.740E-03 +LEU 641 C 523 LEU 565 CB 199 0.961E+00 -0.673E-01 -0.123E-02 +LEU 641 C 523 LEU 565 CG 200 0.853E+00 0.109E+00 -0.252E-02 +LEU 641 C 523 LEU 565 CD1 201 0.879E+00 -0.661E-01 -0.210E-02 +LEU 641 C 523 LEU 565 CD2 202 0.892E+00 -0.646E-01 -0.192E-02 +LEU 641 O 524 ASN 553 O 73 0.980E+00 0.232E+00 -0.103E-02 +LEU 641 O 524 ASN 554 N 81 0.102E+01 0.179E+00 -0.972E-03 +LEU 641 O 524 ASN 554 CA 82 0.889E+00 -0.232E-01 -0.206E-02 +LEU 641 O 524 ASN 554 C 83 0.860E+00 -0.336E+00 -0.223E-02 +LEU 641 O 524 ASN 554 O 84 0.753E+00 0.359E+00 -0.500E-02 +LEU 641 O 524 ASN 554 CB 85 0.908E+00 0.468E-01 -0.182E-02 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0.805E+00 -0.344E+00 -0.330E-02 +LEU 641 O 524 ARG 557 NH1 119 0.731E+00 0.497E+00 -0.715E-02 +LEU 641 O 524 ARG 557 NH2 120 0.871E+00 0.365E+00 -0.251E-02 +LEU 641 O 524 ARG 557 HE 122 0.913E+00 -0.592E-01 -0.431E-04 +LEU 641 O 524 ALA 558 N 127 0.676E+00 0.341E+00 -0.114E-01 +LEU 641 O 524 ALA 558 CA 128 0.631E+00 0.271E-01 -0.158E-01 +LEU 641 O 524 ALA 558 C 129 0.731E+00 -0.413E+00 -0.589E-02 +LEU 641 O 524 ALA 558 O 130 0.712E+00 0.423E+00 -0.701E-02 +LEU 641 O 524 ALA 558 CB 131 0.666E+00 0.200E+00 -0.115E-01 +LEU 641 O 524 ILE 559 N 133 0.856E+00 0.247E+00 -0.279E-02 +LEU 641 O 524 ILE 559 CA 134 0.973E+00 0.456E-01 -0.120E-02 +LEU 641 O 524 ILE 559 C 135 0.976E+00 -0.253E+00 -0.104E-02 +LEU 641 O 524 ILE 559 O 136 0.103E+01 0.256E+00 -0.782E-03 +LEU 641 O 524 GLU 560 N 142 0.947E+00 0.197E+00 -0.152E-02 +LEU 641 O 524 GLU 560 CA 143 0.983E+00 -0.141E-01 -0.113E-02 +LEU 641 O 524 GLU 560 C 144 0.901E+00 -0.237E+00 -0.169E-02 +LEU 641 O 524 GLU 560 O 145 0.968E+00 0.267E+00 -0.112E-02 +LEU 641 O 524 GLU 560 CB 146 0.990E+00 -0.326E-01 -0.108E-02 +LEU 641 O 524 ALA 561 N 152 0.770E+00 0.267E+00 -0.526E-02 +LEU 641 O 524 ALA 561 CA 153 0.701E+00 0.220E-01 -0.853E-02 +LEU 641 O 524 ALA 561 C 154 0.774E+00 -0.372E+00 -0.418E-02 +LEU 641 O 524 ALA 561 O 155 0.835E+00 0.317E+00 -0.269E-02 +LEU 641 O 524 ALA 561 CB 156 0.551E+00 0.299E+00 -0.350E-01 +LEU 641 O 524 GLN 562 N 158 0.811E+00 0.232E+00 -0.385E-02 +LEU 641 O 524 GLN 562 CA 159 0.905E+00 -0.185E-01 -0.185E-02 +LEU 641 O 524 GLN 562 C 160 0.104E+01 -0.170E+00 -0.718E-03 +LEU 641 O 524 GLN 562 CB 162 0.945E+00 0.150E-01 -0.143E-02 +LEU 641 O 524 GLN 562 CG 163 0.844E+00 0.112E-01 -0.281E-02 +LEU 641 O 524 GLN 562 CD 164 0.919E+00 -0.326E+00 -0.149E-02 +LEU 641 O 524 GLN 562 OE1 165 0.996E+00 0.271E+00 -0.938E-03 +LEU 641 O 524 GLN 562 NE2 166 0.916E+00 0.433E+00 -0.186E-02 +LEU 641 O 524 HIS 564 ND1 188 0.103E+01 0.173E+00 -0.896E-03 +LEU 641 O 524 HIS 564 HD1 193 0.972E+00 -0.716E-01 -0.295E-04 +LEU 641 O 524 LEU 565 CG 200 0.951E+00 -0.888E-01 -0.137E-02 +LEU 641 O 524 LEU 565 CD1 201 0.971E+00 0.551E-01 -0.121E-02 +LEU 641 O 524 LEU 565 CD2 202 0.100E+01 0.527E-01 -0.101E-02 +LEU 641 CB 525 ASN 554 O 84 0.960E+00 0.617E-01 -0.130E-02 +LEU 641 CB 525 LEU 556 O 104 0.103E+01 0.594E-01 -0.865E-03 +LEU 641 CB 525 ARG 557 N 110 0.972E+00 0.348E-01 -0.142E-02 +LEU 641 CB 525 ARG 557 CA 111 0.838E+00 0.192E-01 -0.316E-02 +LEU 641 CB 525 ARG 557 C 112 0.759E+00 -0.127E+00 -0.504E-02 +LEU 641 CB 525 ARG 557 O 113 0.695E+00 0.119E+00 -0.895E-02 +LEU 641 CB 525 ARG 557 CB 114 0.797E+00 0.591E-02 -0.426E-02 +LEU 641 CB 525 ARG 557 CG 115 0.876E+00 -0.163E-02 -0.242E-02 +LEU 641 CB 525 ARG 557 CD 116 0.861E+00 -0.176E-01 -0.268E-02 +LEU 641 CB 525 ARG 557 NE 117 0.932E+00 -0.573E-01 -0.182E-02 +LEU 641 CB 525 ARG 557 CZ 118 0.912E+00 -0.721E-01 -0.169E-02 +LEU 641 CB 525 ARG 557 NH1 119 0.816E+00 0.105E+00 -0.402E-02 +LEU 641 CB 525 ARG 557 NH2 120 0.101E+01 0.747E-01 -0.112E-02 +LEU 641 CB 525 ARG 557 HE 122 0.102E+01 -0.130E-01 -0.305E-04 +LEU 641 CB 525 ALA 558 N 127 0.802E+00 0.639E-01 -0.446E-02 +LEU 641 CB 525 ALA 558 CA 128 0.774E+00 0.472E-02 -0.508E-02 +LEU 641 CB 525 ALA 558 C 129 0.833E+00 -0.843E-01 -0.290E-02 +LEU 641 CB 525 ALA 558 O 130 0.788E+00 0.904E-01 -0.422E-02 +LEU 641 CB 525 ALA 558 CB 131 0.862E+00 0.321E-01 -0.266E-02 +LEU 641 CB 525 ILE 559 N 133 0.950E+00 0.539E-01 -0.162E-02 +LEU 641 CB 525 ILE 559 CA 134 0.104E+01 0.107E-01 -0.871E-03 +LEU 641 CB 525 ILE 559 C 135 0.991E+00 -0.638E-01 -0.102E-02 +LEU 641 CB 525 ILE 559 O 136 0.102E+01 0.669E-01 -0.916E-03 +LEU 641 CB 525 GLU 560 N 142 0.943E+00 0.512E-01 -0.170E-02 +LEU 641 CB 525 GLU 560 CA 143 0.928E+00 -0.397E-02 -0.172E-02 +LEU 641 CB 525 GLU 560 C 144 0.818E+00 -0.717E-01 -0.323E-02 +LEU 641 CB 525 GLU 560 O 145 0.851E+00 0.846E-01 -0.266E-02 +LEU 641 CB 525 GLU 560 CB 146 0.922E+00 -0.939E-02 -0.178E-02 +LEU 641 CB 525 GLU 560 OE1 149 0.100E+01 0.909E-01 -0.100E-02 +LEU 641 CB 525 ALA 561 N 152 0.705E+00 0.810E-01 -0.962E-02 +LEU 641 CB 525 ALA 561 CA 153 0.605E+00 0.764E-02 -0.216E-01 +LEU 641 CB 525 ALA 561 C 154 0.690E+00 -0.119E+00 -0.885E-02 +LEU 641 CB 525 ALA 561 O 155 0.715E+00 0.108E+00 -0.757E-02 +LEU 641 CB 525 ALA 561 CB 156 0.491E+00 0.101E+00 -0.699E-01 +LEU 641 CB 525 GLN 562 N 158 0.778E+00 0.645E-01 -0.536E-02 +LEU 641 CB 525 GLN 562 CA 159 0.880E+00 -0.500E-02 -0.236E-02 +LEU 641 CB 525 GLN 562 C 160 0.982E+00 -0.477E-01 -0.108E-02 +LEU 641 CB 525 GLN 562 O 161 0.105E+01 0.583E-01 -0.759E-03 +LEU 641 CB 525 GLN 562 CB 162 0.969E+00 0.372E-02 -0.133E-02 +LEU 641 CB 525 GLN 562 CG 163 0.909E+00 0.256E-02 -0.194E-02 +LEU 641 CB 525 GLN 562 CD 164 0.102E+01 -0.714E-01 -0.843E-03 +LEU 641 CB 525 GLN 562 NE2 166 0.104E+01 0.919E-01 -0.924E-03 +LEU 641 CB 525 GLN 563 N 170 0.101E+01 0.422E-01 -0.112E-02 +LEU 641 CB 525 HIS 564 N 182 0.977E+00 0.605E-01 -0.137E-02 +LEU 641 CB 525 HIS 564 CA 183 0.974E+00 -0.357E-02 -0.128E-02 +LEU 641 CB 525 HIS 564 C 184 0.100E+01 -0.731E-01 -0.960E-03 +LEU 641 CB 525 HIS 564 CB 186 0.855E+00 0.215E-01 -0.280E-02 +LEU 641 CB 525 HIS 564 CG 187 0.867E+00 -0.385E-01 -0.228E-02 +LEU 641 CB 525 HIS 564 ND1 188 0.794E+00 0.680E-01 -0.475E-02 +LEU 641 CB 525 HIS 564 CD2 189 0.981E+00 0.340E-01 -0.109E-02 +LEU 641 CB 525 HIS 564 CE1 190 0.865E+00 -0.361E-02 -0.231E-02 +LEU 641 CB 525 HIS 564 NE2 191 0.973E+00 0.113E-01 -0.141E-02 +LEU 641 CB 525 HIS 564 HD1 193 0.716E+00 -0.311E-01 -0.249E-03 +LEU 641 CB 525 LEU 565 N 195 0.943E+00 0.429E-01 -0.170E-02 +LEU 641 CB 525 LEU 565 CA 196 0.100E+01 0.112E-01 -0.109E-02 +LEU 641 CB 525 LEU 565 CB 199 0.950E+00 0.172E-01 -0.149E-02 +LEU 641 CB 525 LEU 565 CG 200 0.852E+00 -0.274E-01 -0.286E-02 +LEU 641 CB 525 LEU 565 CD1 201 0.919E+00 0.155E-01 -0.181E-02 +LEU 641 CB 525 LEU 565 CD2 202 0.864E+00 0.171E-01 -0.262E-02 +LEU 641 CB 525 LEU 568 CD1 231 0.105E+01 0.127E-01 -0.831E-03 +LEU 641 CG 526 ASN 553 O 73 0.989E+00 -0.787E-01 -0.109E-02 +LEU 641 CG 526 ASN 554 CA 82 0.990E+00 0.674E-02 -0.116E-02 +LEU 641 CG 526 ASN 554 C 83 0.973E+00 0.949E-01 -0.115E-02 +LEU 641 CG 526 ASN 554 O 84 0.866E+00 -0.968E-01 -0.240E-02 +LEU 641 CG 526 ASN 554 OD1 87 0.102E+01 -0.759E-01 -0.918E-03 +LEU 641 CG 526 LEU 555 O 95 0.100E+01 -0.819E-01 -0.995E-03 +LEU 641 CG 526 LEU 556 C 103 0.945E+00 0.921E-01 -0.136E-02 +LEU 641 CG 526 LEU 556 O 104 0.927E+00 -0.925E-01 -0.160E-02 +LEU 641 CG 526 ARG 557 N 110 0.857E+00 -0.566E-01 -0.302E-02 +LEU 641 CG 526 ARG 557 CA 111 0.719E+00 -0.337E-01 -0.783E-02 +LEU 641 CG 526 ARG 557 C 112 0.660E+00 0.222E+00 -0.115E-01 +LEU 641 CG 526 ARG 557 O 113 0.604E+00 -0.211E+00 -0.205E-01 +LEU 641 CG 526 ARG 557 CB 114 0.666E+00 -0.110E-01 -0.123E-01 +LEU 641 CG 526 ARG 557 CG 115 0.734E+00 0.297E-02 -0.696E-02 +LEU 641 CG 526 ARG 557 CD 116 0.714E+00 0.329E-01 -0.821E-02 +LEU 641 CG 526 ARG 557 NE 117 0.790E+00 0.101E+00 -0.490E-02 +LEU 641 CG 526 ARG 557 CZ 118 0.776E+00 0.126E+00 -0.443E-02 +LEU 641 CG 526 ARG 557 NH1 119 0.681E+00 -0.196E+00 -0.118E-01 +LEU 641 CG 526 ARG 557 NH2 120 0.882E+00 -0.123E+00 -0.253E-02 +LEU 641 CG 526 ARG 557 HE 122 0.875E+00 0.218E-01 -0.745E-04 +LEU 641 CG 526 ALA 558 N 127 0.717E+00 -0.105E+00 -0.869E-02 +LEU 641 CG 526 ALA 558 CA 128 0.714E+00 -0.729E-02 -0.815E-02 +LEU 641 CG 526 ALA 558 C 129 0.785E+00 0.125E+00 -0.413E-02 +LEU 641 CG 526 ALA 558 O 130 0.759E+00 -0.129E+00 -0.530E-02 +LEU 641 CG 526 ALA 558 CB 131 0.813E+00 -0.474E-01 -0.379E-02 +LEU 641 CG 526 ILE 559 N 133 0.892E+00 -0.794E-01 -0.237E-02 +LEU 641 CG 526 ILE 559 CA 134 0.988E+00 -0.153E-01 -0.118E-02 +LEU 641 CG 526 ILE 559 C 135 0.939E+00 0.924E-01 -0.142E-02 +LEU 641 CG 526 ILE 559 O 136 0.979E+00 -0.944E-01 -0.115E-02 +LEU 641 CG 526 GLU 560 N 142 0.874E+00 -0.770E-01 -0.268E-02 +LEU 641 CG 526 GLU 560 CA 143 0.858E+00 0.600E-02 -0.273E-02 +LEU 641 CG 526 GLU 560 C 144 0.765E+00 0.108E+00 -0.480E-02 +LEU 641 CG 526 GLU 560 O 145 0.813E+00 -0.122E+00 -0.352E-02 +LEU 641 CG 526 GLU 560 CB 146 0.832E+00 0.148E-01 -0.328E-02 +LEU 641 CG 526 GLU 560 CG 147 0.951E+00 -0.541E-02 -0.148E-02 +LEU 641 CG 526 GLU 560 CD 148 0.963E+00 0.120E+00 -0.122E-02 +LEU 641 CG 526 GLU 560 OE1 149 0.882E+00 -0.148E+00 -0.216E-02 +LEU 641 CG 526 ALA 561 N 152 0.656E+00 -0.125E+00 -0.148E-01 +LEU 641 CG 526 ALA 561 CA 153 0.582E+00 -0.111E-01 -0.272E-01 +LEU 641 CG 526 ALA 561 C 154 0.694E+00 0.157E+00 -0.859E-02 +LEU 641 CG 526 ALA 561 O 155 0.736E+00 -0.137E+00 -0.636E-02 +LEU 641 CG 526 ALA 561 CB 156 0.471E+00 -0.149E+00 -0.865E-01 +LEU 641 CG 526 GLN 562 N 158 0.778E+00 -0.860E-01 -0.535E-02 +LEU 641 CG 526 GLN 562 CA 159 0.897E+00 0.646E-02 -0.210E-02 +LEU 641 CG 526 GLN 562 C 160 0.996E+00 0.622E-01 -0.993E-03 +LEU 641 CG 526 GLN 562 CB 162 0.982E+00 -0.486E-02 -0.122E-02 +LEU 641 CG 526 GLN 562 CG 163 0.930E+00 -0.330E-02 -0.170E-02 +LEU 641 CG 526 GLN 562 CD 164 0.104E+01 0.930E-01 -0.763E-03 +LEU 641 CG 526 GLN 563 N 170 0.101E+01 -0.566E-01 -0.115E-02 +LEU 641 CG 526 HIS 564 N 182 0.982E+00 -0.801E-01 -0.133E-02 +LEU 641 CG 526 HIS 564 CA 183 0.991E+00 0.463E-02 -0.115E-02 +LEU 641 CG 526 HIS 564 C 184 0.104E+01 0.922E-01 -0.764E-03 +LEU 641 CG 526 HIS 564 CB 186 0.871E+00 -0.278E-01 -0.250E-02 +LEU 641 CG 526 HIS 564 CG 187 0.858E+00 0.522E-01 -0.243E-02 +LEU 641 CG 526 HIS 564 ND1 188 0.773E+00 -0.951E-01 -0.557E-02 +LEU 641 CG 526 HIS 564 CD2 189 0.958E+00 -0.469E-01 -0.126E-02 +LEU 641 CG 526 HIS 564 CE1 190 0.824E+00 0.523E-02 -0.309E-02 +LEU 641 CG 526 HIS 564 NE2 191 0.933E+00 -0.161E-01 -0.181E-02 +LEU 641 CG 526 HIS 564 HD1 193 0.702E+00 0.431E-01 -0.279E-03 +LEU 641 CG 526 LEU 565 N 195 0.991E+00 -0.531E-01 -0.126E-02 +LEU 641 CG 526 LEU 565 CB 199 0.102E+01 -0.206E-01 -0.960E-03 +LEU 641 CG 526 LEU 565 CG 200 0.940E+00 0.311E-01 -0.158E-02 +LEU 641 CG 526 LEU 565 CD1 201 0.101E+01 -0.178E-01 -0.101E-02 +LEU 641 CG 526 LEU 565 CD2 202 0.966E+00 -0.191E-01 -0.135E-02 +LEU 641 CD1 527 ASN 553 O 73 0.101E+01 0.487E-01 -0.949E-03 +LEU 641 CD1 527 ASN 554 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ARG 557 NH2 120 0.831E+00 0.871E-01 -0.363E-02 +LEU 641 CD1 527 ARG 557 HE 122 0.855E+00 -0.145E-01 -0.855E-04 +LEU 641 CD1 527 ALA 558 N 127 0.808E+00 0.539E-01 -0.428E-02 +LEU 641 CD1 527 ALA 558 CA 128 0.822E+00 0.362E-02 -0.354E-02 +LEU 641 CD1 527 ALA 558 C 129 0.907E+00 -0.626E-01 -0.174E-02 +LEU 641 CD1 527 ALA 558 O 130 0.893E+00 0.625E-01 -0.200E-02 +LEU 641 CD1 527 ALA 558 CB 131 0.912E+00 0.250E-01 -0.190E-02 +LEU 641 CD1 527 ILE 559 N 133 0.101E+01 0.421E-01 -0.113E-02 +LEU 641 CD1 527 GLU 560 N 142 0.993E+00 0.404E-01 -0.124E-02 +LEU 641 CD1 527 GLU 560 CA 143 0.977E+00 -0.313E-02 -0.126E-02 +LEU 641 CD1 527 GLU 560 C 144 0.894E+00 -0.528E-01 -0.190E-02 +LEU 641 CD1 527 GLU 560 O 145 0.944E+00 0.612E-01 -0.143E-02 +LEU 641 CD1 527 GLU 560 CB 146 0.934E+00 -0.787E-02 -0.165E-02 +LEU 641 CD1 527 GLU 560 CG 147 0.104E+01 0.303E-02 -0.859E-03 +LEU 641 CD1 527 GLU 560 CD 148 0.103E+01 -0.690E-01 -0.799E-03 +LEU 641 CD1 527 GLU 560 OE1 149 0.943E+00 0.852E-01 -0.145E-02 +LEU 641 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559 CG1 138 0.921E+00 0.422E-03 -0.180E-02 +ILE 642 CG1 535 ILE 559 CG2 139 0.954E+00 -0.236E-02 -0.145E-02 +ILE 642 CG1 535 GLU 560 N 142 0.729E+00 -0.122E-01 -0.793E-02 +ILE 642 CG1 535 GLU 560 CA 143 0.761E+00 0.848E-03 -0.560E-02 +ILE 642 CG1 535 GLU 560 C 144 0.649E+00 0.169E-01 -0.128E-01 +ILE 642 CG1 535 GLU 560 O 145 0.682E+00 -0.193E-01 -0.998E-02 +ILE 642 CG1 535 GLU 560 CB 146 0.838E+00 0.168E-02 -0.316E-02 +ILE 642 CG1 535 GLU 560 CG 147 0.969E+00 -0.603E-03 -0.132E-02 +ILE 642 CG1 535 GLU 560 OE1 149 0.104E+01 -0.131E-01 -0.786E-03 +ILE 642 CG1 535 ALA 561 N 152 0.533E+00 -0.224E-01 -0.492E-01 +ILE 642 CG1 535 ALA 561 CA 153 0.431E+00 -0.259E-02 -0.130E+00 +ILE 642 CG1 535 ALA 561 C 154 0.406E+00 0.612E-01 -0.142E+00 +ILE 642 CG1 535 ALA 561 O 155 0.449E+00 -0.462E-01 -0.109E+00 +ILE 642 CG1 535 ALA 561 CB 156 0.328E+00 -0.438E-01 0.206E+00 +ILE 642 CG1 535 GLN 562 N 158 0.419E+00 -0.384E-01 -0.166E+00 +ILE 642 CG1 535 GLN 562 CA 159 0.464E+00 0.283E-02 -0.926E-01 +ILE 642 CG1 535 GLN 562 C 160 0.601E+00 0.177E-01 -0.200E-01 +ILE 642 CG1 535 GLN 562 O 161 0.658E+00 -0.198E-01 -0.123E-01 +ILE 642 CG1 535 GLN 562 CB 162 0.512E+00 -0.194E-02 -0.558E-01 +ILE 642 CG1 535 GLN 562 CG 163 0.419E+00 -0.198E-02 -0.145E+00 +ILE 642 CG1 535 GLN 562 CD 164 0.527E+00 0.378E-01 -0.420E-01 +ILE 642 CG1 535 GLN 562 OE1 165 0.628E+00 -0.242E-01 -0.163E-01 +ILE 642 CG1 535 GLN 562 NE2 166 0.533E+00 -0.488E-01 -0.491E-01 +ILE 642 CG1 535 GLN 563 N 170 0.675E+00 -0.129E-01 -0.125E-01 +ILE 642 CG1 535 GLN 563 CA 171 0.808E+00 0.882E-03 -0.393E-02 +ILE 642 CG1 535 GLN 563 C 172 0.819E+00 0.975E-02 -0.321E-02 +ILE 642 CG1 535 GLN 563 O 173 0.910E+00 -0.110E-01 -0.179E-02 +ILE 642 CG1 535 GLN 563 CB 174 0.893E+00 -0.645E-03 -0.216E-02 +ILE 642 CG1 535 GLN 563 CG 175 0.104E+01 -0.320E-03 -0.877E-03 +ILE 642 CG1 535 HIS 564 N 182 0.755E+00 -0.142E-01 -0.642E-02 +ILE 642 CG1 535 HIS 564 CA 183 0.799E+00 0.753E-03 -0.418E-02 +ILE 642 CG1 535 HIS 564 C 184 0.791E+00 0.164E-01 -0.395E-02 +ILE 642 CG1 535 HIS 564 O 185 0.899E+00 -0.105E-01 -0.192E-02 +ILE 642 CG1 535 HIS 564 CB 186 0.752E+00 -0.412E-02 -0.600E-02 +ILE 642 CG1 535 HIS 564 CG 187 0.820E+00 0.646E-02 -0.319E-02 +ILE 642 CG1 535 HIS 564 ND1 188 0.822E+00 -0.978E-02 -0.386E-02 +ILE 642 CG1 535 HIS 564 CD2 189 0.918E+00 -0.574E-02 -0.162E-02 +ILE 642 CG1 535 HIS 564 CE1 190 0.913E+00 0.505E-03 -0.167E-02 +ILE 642 CG1 535 HIS 564 NE2 191 0.966E+00 -0.175E-02 -0.147E-02 +ILE 642 CG1 535 HIS 564 HD1 193 0.782E+00 0.404E-02 -0.147E-03 +ILE 642 CG1 535 LEU 565 N 195 0.682E+00 -0.116E-01 -0.117E-01 +ILE 642 CG1 535 LEU 565 CA 196 0.704E+00 -0.310E-02 -0.893E-02 +ILE 642 CG1 535 LEU 565 C 197 0.827E+00 0.131E-01 -0.303E-02 +ILE 642 CG1 535 LEU 565 O 198 0.925E+00 -0.106E-01 -0.162E-02 +ILE 642 CG1 535 LEU 565 CB 199 0.595E+00 -0.623E-02 -0.239E-01 +ILE 642 CG1 535 LEU 565 CG 200 0.510E+00 0.118E-01 -0.571E-01 +ILE 642 CG1 535 LEU 565 CD1 201 0.523E+00 -0.711E-02 -0.498E-01 +ILE 642 CG1 535 LEU 565 CD2 202 0.603E+00 -0.517E-02 -0.221E-01 +ILE 642 CG1 535 LEU 566 N 204 0.847E+00 -0.781E-02 -0.324E-02 +ILE 642 CG1 535 LEU 566 CA 205 0.979E+00 -0.176E-02 -0.125E-02 +ILE 642 CG1 535 LEU 566 CB 208 0.101E+01 -0.241E-02 -0.106E-02 +ILE 642 CG1 535 LEU 566 CG 209 0.990E+00 0.330E-02 -0.116E-02 +ILE 642 CG1 535 LEU 566 CD1 210 0.100E+01 -0.207E-02 -0.108E-02 +ILE 642 CG1 535 LEU 568 CG 230 0.103E+01 0.310E-02 -0.903E-03 +ILE 642 CG1 535 LEU 568 CD1 231 0.951E+00 -0.224E-02 -0.148E-02 +ILE 642 CG2 536 ASN 554 CA 82 0.104E+01 -0.426E-02 -0.880E-03 +ILE 642 CG2 536 ASN 554 C 83 0.935E+00 -0.682E-01 -0.145E-02 +ILE 642 CG2 536 ASN 554 O 84 0.822E+00 0.716E-01 -0.329E-02 +ILE 642 CG2 536 LEU 555 N 92 0.993E+00 0.359E-01 -0.125E-02 +ILE 642 CG2 536 LEU 555 CA 93 0.938E+00 0.111E-01 -0.161E-02 +ILE 642 CG2 536 LEU 555 C 94 0.922E+00 -0.648E-01 -0.158E-02 +ILE 642 CG2 536 LEU 555 O 95 0.824E+00 0.759E-01 -0.324E-02 +ILE 642 CG2 536 LEU 555 CB 96 0.105E+01 0.134E-01 -0.827E-03 +ILE 642 CG2 536 LEU 555 CD2 99 0.995E+00 0.124E-01 -0.113E-02 +ILE 642 CG2 536 LEU 556 N 101 0.103E+01 0.339E-01 -0.996E-03 +ILE 642 CG2 536 LEU 556 C 103 0.969E+00 -0.600E-01 -0.117E-02 +ILE 642 CG2 536 LEU 556 O 104 0.939E+00 0.613E-01 -0.148E-02 +ILE 642 CG2 536 ARG 557 N 110 0.941E+00 0.330E-01 -0.172E-02 +ILE 642 CG2 536 ARG 557 CA 111 0.876E+00 0.161E-01 -0.242E-02 +ILE 642 CG2 536 ARG 557 C 112 0.730E+00 -0.124E+00 -0.638E-02 +ILE 642 CG2 536 ARG 557 O 113 0.694E+00 0.108E+00 -0.905E-02 +ILE 642 CG2 536 ARG 557 CB 114 0.912E+00 0.426E-02 -0.190E-02 +ILE 642 CG2 536 ALA 558 N 127 0.668E+00 0.813E-01 -0.132E-01 +ILE 642 CG2 536 ALA 558 CA 128 0.535E+00 0.906E-02 -0.438E-01 +ILE 642 CG2 536 ALA 558 C 129 0.546E+00 -0.176E+00 -0.344E-01 +ILE 642 CG2 536 ALA 558 O 130 0.477E+00 0.236E+00 -0.790E-01 +ILE 642 CG2 536 ALA 558 CB 131 0.528E+00 0.766E-01 -0.469E-01 +ILE 642 CG2 536 ILE 559 N 133 0.670E+00 0.901E-01 -0.130E-01 +ILE 642 CG2 536 ILE 559 CA 134 0.741E+00 0.168E-01 -0.657E-02 +ILE 642 CG2 536 ILE 559 C 135 0.775E+00 -0.862E-01 -0.445E-02 +ILE 642 CG2 536 ILE 559 O 136 0.790E+00 0.907E-01 -0.416E-02 +ILE 642 CG2 536 ILE 559 CB 137 0.884E+00 -0.749E-02 -0.228E-02 +ILE 642 CG2 536 ILE 559 CG1 138 0.891E+00 -0.263E-02 -0.219E-02 +ILE 642 CG2 536 ILE 559 CG2 139 0.977E+00 0.134E-01 -0.126E-02 +ILE 642 CG2 536 ILE 559 CD1 140 0.103E+01 0.962E-02 -0.897E-03 +ILE 642 CG2 536 GLU 560 N 142 0.820E+00 0.580E-01 -0.390E-02 +ILE 642 CG2 536 GLU 560 CA 143 0.888E+00 -0.384E-02 -0.222E-02 +ILE 642 CG2 536 GLU 560 C 144 0.803E+00 -0.669E-01 -0.361E-02 +ILE 642 CG2 536 GLU 560 O 145 0.854E+00 0.759E-01 -0.261E-02 +ILE 642 CG2 536 GLU 560 CB 146 0.972E+00 -0.783E-02 -0.130E-02 +ILE 642 CG2 536 ALA 561 N 152 0.687E+00 0.769E-01 -0.112E-01 +ILE 642 CG2 536 ALA 561 CA 153 0.619E+00 0.658E-02 -0.190E-01 +ILE 642 CG2 536 ALA 561 C 154 0.588E+00 -0.149E+00 -0.226E-01 +ILE 642 CG2 536 ALA 561 O 155 0.647E+00 0.119E+00 -0.137E-01 +ILE 642 CG2 536 ALA 561 CB 156 0.513E+00 0.821E-01 -0.553E-01 +ILE 642 CG2 536 GLN 562 N 158 0.554E+00 0.116E+00 -0.395E-01 +ILE 642 CG2 536 GLN 562 CA 159 0.573E+00 -0.103E-01 -0.296E-01 +ILE 642 CG2 536 GLN 562 C 160 0.721E+00 -0.726E-01 -0.686E-02 +ILE 642 CG2 536 GLN 562 O 161 0.774E+00 0.857E-01 -0.470E-02 +ILE 642 CG2 536 GLN 562 CB 162 0.557E+00 0.945E-02 -0.348E-01 +ILE 642 CG2 536 GLN 562 CG 163 0.419E+00 0.117E-01 -0.145E+00 +ILE 642 CG2 536 GLN 562 CD 164 0.463E+00 -0.305E+00 -0.834E-01 +ILE 642 CG2 536 GLN 562 OE1 165 0.566E+00 0.179E+00 -0.301E-01 +ILE 642 CG2 536 GLN 562 NE2 166 0.421E+00 0.511E+00 -0.163E+00 +ILE 642 CG2 536 GLN 563 N 170 0.803E+00 0.551E-01 -0.444E-02 +ILE 642 CG2 536 GLN 563 CA 171 0.943E+00 -0.404E-02 -0.156E-02 +ILE 642 CG2 536 GLN 563 C 172 0.980E+00 -0.431E-01 -0.110E-02 +ILE 642 CG2 536 GLN 563 CB 174 0.103E+01 0.307E-02 -0.929E-03 +ILE 642 CG2 536 HIS 564 N 182 0.938E+00 0.581E-01 -0.175E-02 +ILE 642 CG2 536 HIS 564 CA 183 0.100E+01 -0.310E-02 -0.110E-02 +ILE 642 CG2 536 HIS 564 C 184 0.984E+00 -0.678E-01 -0.107E-02 +ILE 642 CG2 536 HIS 564 CB 186 0.970E+00 0.159E-01 -0.131E-02 +ILE 642 CG2 536 HIS 564 CG 187 0.104E+01 -0.263E-01 -0.774E-03 +ILE 642 CG2 536 HIS 564 ND1 188 0.105E+01 0.396E-01 -0.909E-03 +ILE 642 CG2 536 HIS 564 HD1 193 0.101E+01 -0.157E-01 -0.312E-04 +ILE 642 CG2 536 LEU 565 N 195 0.865E+00 0.445E-01 -0.284E-02 +ILE 642 CG2 536 LEU 565 CA 196 0.867E+00 0.126E-01 -0.258E-02 +ILE 642 CG2 536 LEU 565 C 197 0.969E+00 -0.600E-01 -0.117E-02 +ILE 642 CG2 536 LEU 565 CB 199 0.736E+00 0.240E-01 -0.683E-02 +ILE 642 CG2 536 LEU 565 CG 200 0.653E+00 -0.404E-01 -0.139E-01 +ILE 642 CG2 536 LEU 565 CD1 201 0.612E+00 0.296E-01 -0.203E-01 +ILE 642 CG2 536 LEU 565 CD2 202 0.759E+00 0.194E-01 -0.569E-02 +ILE 642 CG2 536 LEU 566 N 204 0.977E+00 0.367E-01 -0.137E-02 +ILE 642 CD1 537 ASN 554 O 84 0.985E+00 0.416E-01 -0.111E-02 +ILE 642 CD1 537 LEU 555 C 94 0.105E+01 -0.416E-01 -0.732E-03 +ILE 642 CD1 537 LEU 555 O 95 0.937E+00 0.479E-01 -0.151E-02 +ILE 642 CD1 537 LEU 556 C 103 0.102E+01 -0.435E-01 -0.883E-03 +ILE 642 CD1 537 LEU 556 O 104 0.954E+00 0.465E-01 -0.135E-02 +ILE 642 CD1 537 ARG 557 N 110 0.100E+01 0.233E-01 -0.117E-02 +ILE 642 CD1 537 ARG 557 CA 111 0.916E+00 0.116E-01 -0.185E-02 +ILE 642 CD1 537 ARG 557 C 112 0.770E+00 -0.869E-01 -0.462E-02 +ILE 642 CD1 537 ARG 557 O 113 0.690E+00 0.846E-01 -0.932E-02 +ILE 642 CD1 537 ARG 557 CB 114 0.973E+00 0.299E-02 -0.129E-02 +ILE 642 CD1 537 ALA 558 N 127 0.753E+00 0.502E-01 -0.651E-02 +ILE 642 CD1 537 ALA 558 CA 128 0.633E+00 0.488E-02 -0.166E-01 +ILE 642 CD1 537 ALA 558 C 129 0.593E+00 -0.114E+00 -0.217E-01 +ILE 642 CD1 537 ALA 558 O 130 0.481E+00 0.179E+00 -0.752E-01 +ILE 642 CD1 537 ALA 558 CB 131 0.689E+00 0.338E-01 -0.101E-01 +ILE 642 CD1 537 ILE 559 N 133 0.706E+00 0.632E-01 -0.956E-02 +ILE 642 CD1 537 ILE 559 CA 134 0.734E+00 0.133E-01 -0.695E-02 +ILE 642 CD1 537 ILE 559 C 135 0.712E+00 -0.785E-01 -0.741E-02 +ILE 642 CD1 537 ILE 559 O 136 0.686E+00 0.918E-01 -0.967E-02 +ILE 642 CD1 537 ILE 559 CB 137 0.891E+00 -0.576E-02 -0.219E-02 +ILE 642 CD1 537 ILE 559 CG1 138 0.941E+00 -0.187E-02 -0.158E-02 +ILE 642 CD1 537 ILE 559 CG2 139 0.949E+00 0.109E-01 -0.149E-02 +ILE 642 CD1 537 GLU 560 N 142 0.755E+00 0.523E-01 -0.643E-02 +ILE 642 CD1 537 GLU 560 CA 143 0.779E+00 -0.373E-02 -0.486E-02 +ILE 642 CD1 537 GLU 560 C 144 0.660E+00 -0.753E-01 -0.116E-01 +ILE 642 CD1 537 GLU 560 O 145 0.671E+00 0.919E-01 -0.111E-01 +ILE 642 CD1 537 GLU 560 CB 146 0.875E+00 -0.717E-02 -0.243E-02 +ILE 642 CD1 537 GLU 560 CG 147 0.101E+01 0.260E-02 -0.103E-02 +ILE 642 CD1 537 ALA 561 N 152 0.563E+00 0.906E-01 -0.359E-01 +ILE 642 CD1 537 ALA 561 CA 153 0.455E+00 0.103E-01 -0.102E+00 +ILE 642 CD1 537 ALA 561 C 154 0.380E+00 -0.335E+00 -0.157E+00 +ILE 642 CD1 537 ALA 561 O 155 0.392E+00 0.300E+00 -0.200E+00 +ILE 642 CD1 537 ALA 561 CB 156 0.399E+00 0.119E+00 -0.168E+00 +ILE 642 CD1 537 GLN 562 N 158 0.383E+00 0.223E+00 -0.217E+00 +ILE 642 CD1 537 GLN 562 CA 159 0.384E+00 -0.212E-01 -0.177E+00 +ILE 642 CD1 537 GLN 562 C 160 0.510E+00 -0.118E+00 -0.507E-01 +ILE 642 CD1 537 GLN 562 O 161 0.545E+00 0.136E+00 -0.372E-01 +ILE 642 CD1 537 GLN 562 CB 162 0.439E+00 0.129E-01 -0.120E+00 +ILE 642 CD1 537 GLN 562 CG 163 0.361E+00 0.134E-01 -0.151E+00 +ILE 642 CD1 537 GLN 562 CD 164 0.481E+00 -0.216E+00 -0.691E-01 +ILE 642 CD1 537 GLN 562 OE1 165 0.591E+00 0.127E+00 -0.234E-01 +ILE 642 CD1 537 GLN 562 NE2 166 0.484E+00 0.281E+00 -0.833E-01 +ILE 642 CD1 537 GLN 563 N 170 0.605E+00 0.741E-01 -0.237E-01 +ILE 642 CD1 537 GLN 563 CA 171 0.732E+00 -0.484E-02 -0.708E-02 +ILE 642 CD1 537 GLN 563 C 172 0.735E+00 -0.543E-01 -0.610E-02 +ILE 642 CD1 537 GLN 563 O 173 0.814E+00 0.610E-01 -0.349E-02 +ILE 642 CD1 537 GLN 563 CB 174 0.836E+00 0.330E-02 -0.319E-02 +ILE 642 CD1 537 GLN 563 CG 175 0.974E+00 0.161E-02 -0.128E-02 +ILE 642 CD1 537 GLN 563 CD 176 0.102E+01 -0.503E-01 -0.857E-03 +ILE 642 CD1 537 GLN 563 OE1 177 0.992E+00 0.494E-01 -0.107E-02 +ILE 642 CD1 537 HIS 564 N 182 0.683E+00 0.789E-01 -0.116E-01 +ILE 642 CD1 537 HIS 564 CA 183 0.723E+00 -0.415E-02 -0.758E-02 +ILE 642 CD1 537 HIS 564 C 184 0.693E+00 -0.962E-01 -0.868E-02 +ILE 642 CD1 537 HIS 564 O 185 0.795E+00 0.595E-01 -0.401E-02 +ILE 642 CD1 537 HIS 564 CB 186 0.697E+00 0.218E-01 -0.944E-02 +ILE 642 CD1 537 HIS 564 CG 187 0.787E+00 -0.319E-01 -0.407E-02 +ILE 642 CD1 537 HIS 564 ND1 188 0.812E+00 0.459E-01 -0.416E-02 +ILE 642 CD1 537 HIS 564 CD2 189 0.885E+00 0.280E-01 -0.202E-02 +ILE 642 CD1 537 HIS 564 CE1 190 0.913E+00 -0.232E-02 -0.168E-02 +ILE 642 CD1 537 HIS 564 NE2 191 0.951E+00 0.821E-02 -0.161E-02 +ILE 642 CD1 537 HIS 564 HD1 193 0.779E+00 -0.187E-01 -0.150E-03 +ILE 642 CD1 537 LEU 565 N 195 0.573E+00 0.765E-01 -0.325E-01 +ILE 642 CD1 537 LEU 565 CA 196 0.575E+00 0.216E-01 -0.290E-01 +ILE 642 CD1 537 LEU 565 C 197 0.691E+00 -0.836E-01 -0.880E-02 +ILE 642 CD1 537 LEU 565 O 198 0.786E+00 0.641E-01 -0.430E-02 +ILE 642 CD1 537 LEU 565 CB 199 0.455E+00 0.533E-01 -0.103E+00 +ILE 642 CD1 537 LEU 565 CG 200 0.372E+00 -0.120E+00 -0.172E+00 +ILE 642 CD1 537 LEU 565 CD1 201 0.377E+00 0.737E-01 -0.177E+00 +ILE 642 CD1 537 LEU 565 CD2 202 0.482E+00 0.395E-01 -0.768E-01 +ILE 642 CD1 537 LEU 566 N 204 0.715E+00 0.486E-01 -0.889E-02 +ILE 642 CD1 537 LEU 566 CA 205 0.845E+00 0.102E-01 -0.300E-02 +ILE 642 CD1 537 LEU 566 C 206 0.961E+00 -0.473E-01 -0.124E-02 +ILE 642 CD1 537 LEU 566 CB 208 0.881E+00 0.136E-01 -0.233E-02 +ILE 642 CD1 537 LEU 566 CG 209 0.865E+00 -0.187E-01 -0.262E-02 +ILE 642 CD1 537 LEU 566 CD1 210 0.892E+00 0.114E-01 -0.217E-02 +ILE 642 CD1 537 LEU 566 CD2 211 0.978E+00 0.987E-02 -0.125E-02 +ILE 642 CD1 537 GLN 567 N 213 0.969E+00 0.315E-01 -0.145E-02 +ILE 642 CD1 537 LEU 568 N 225 0.102E+01 0.269E-01 -0.107E-02 +ILE 642 CD1 537 LEU 568 CB 229 0.969E+00 0.117E-01 -0.132E-02 +ILE 642 CD1 537 LEU 568 CG 230 0.929E+00 -0.167E-01 -0.170E-02 +ILE 642 CD1 537 LEU 568 CD1 231 0.857E+00 0.122E-01 -0.276E-02 +ILE 642 CD1 537 THR 569 OG1 239 0.105E+01 0.436E-01 -0.841E-03 +ILE 642 CD1 537 THR 569 CG2 240 0.960E+00 0.145E-01 -0.140E-02 +ILE 642 CD1 537 THR 569 HG1 242 0.991E+00 -0.319E-01 0.000E+00 +HIS 643 N 539 ASN 554 C 83 0.105E+01 -0.235E+00 -0.812E-03 +HIS 643 N 539 ASN 554 O 84 0.940E+00 0.233E+00 -0.159E-02 +HIS 643 N 539 ARG 557 CA 111 0.103E+01 0.510E-01 -0.101E-02 +HIS 643 N 539 ARG 557 C 112 0.908E+00 -0.343E+00 -0.188E-02 +HIS 643 N 539 ARG 557 O 113 0.884E+00 0.284E+00 -0.230E-02 +HIS 643 N 539 ARG 557 CB 114 0.101E+01 0.149E-01 -0.115E-02 +HIS 643 N 539 ALA 558 N 127 0.863E+00 0.207E+00 -0.315E-02 +HIS 643 N 539 ALA 558 CA 128 0.766E+00 0.176E-01 -0.586E-02 +HIS 643 N 539 ALA 558 C 129 0.835E+00 -0.308E+00 -0.313E-02 +HIS 643 N 539 ALA 558 O 130 0.788E+00 0.331E+00 -0.456E-02 +HIS 643 N 539 ALA 558 CB 131 0.757E+00 0.148E+00 -0.629E-02 +HIS 643 N 539 ILE 559 N 133 0.966E+00 0.193E+00 -0.160E-02 +HIS 643 N 539 ALA 561 N 152 0.928E+00 0.184E+00 -0.203E-02 +HIS 643 N 539 ALA 561 CA 153 0.839E+00 0.150E-01 -0.341E-02 +HIS 643 N 539 ALA 561 C 154 0.852E+00 -0.298E+00 -0.277E-02 +HIS 643 N 539 ALA 561 O 155 0.894E+00 0.268E+00 -0.215E-02 +HIS 643 N 539 ALA 561 CB 156 0.700E+00 0.171E+00 -0.100E-01 +HIS 643 N 539 GLN 562 N 158 0.863E+00 0.198E+00 -0.314E-02 +HIS 643 N 539 GLN 562 CA 159 0.907E+00 -0.175E-01 -0.215E-02 +HIS 643 N 539 GLN 562 C 160 0.105E+01 -0.159E+00 -0.798E-03 +HIS 643 N 539 GLN 562 CB 162 0.922E+00 0.147E-01 -0.195E-02 +HIS 643 N 539 GLN 562 CG 163 0.793E+00 0.118E-01 -0.478E-02 +HIS 643 N 539 GLN 562 CD 164 0.844E+00 -0.355E+00 -0.293E-02 +HIS 643 N 539 GLN 562 OE1 165 0.943E+00 0.278E+00 -0.156E-02 +HIS 643 N 539 GLN 562 NE2 166 0.792E+00 0.523E+00 -0.524E-02 +HIS 643 N 539 LEU 565 CB 199 0.982E+00 0.600E-01 -0.133E-02 +HIS 643 N 539 LEU 565 CG 200 0.859E+00 -0.990E-01 -0.297E-02 +HIS 643 N 539 LEU 565 CD1 201 0.826E+00 0.677E-01 -0.375E-02 +HIS 643 N 539 LEU 565 CD2 202 0.909E+00 0.578E-01 -0.211E-02 +HIS 643 CA 540 ASN 554 O 84 0.989E+00 -0.127E-01 -0.108E-02 +HIS 643 CA 540 ARG 557 C 112 0.101E+01 0.172E-01 -0.930E-03 +HIS 643 CA 540 ARG 557 O 113 0.996E+00 -0.139E-01 -0.104E-02 +HIS 643 CA 540 ALA 558 N 127 0.951E+00 -0.104E-01 -0.161E-02 +HIS 643 CA 540 ALA 558 CA 128 0.858E+00 -0.848E-03 -0.273E-02 +HIS 643 CA 540 ALA 558 C 129 0.936E+00 0.150E-01 -0.144E-02 +HIS 643 CA 540 ALA 558 O 130 0.900E+00 -0.155E-01 -0.191E-02 +HIS 643 CA 540 ALA 558 CB 131 0.829E+00 -0.739E-02 -0.337E-02 +HIS 643 CA 540 ALA 561 CA 153 0.978E+00 -0.690E-03 -0.125E-02 +HIS 643 CA 540 ALA 561 C 154 0.990E+00 0.138E-01 -0.103E-02 +HIS 643 CA 540 ALA 561 O 155 0.104E+01 -0.126E-01 -0.826E-03 +HIS 643 CA 540 ALA 561 CB 156 0.837E+00 -0.727E-02 -0.318E-02 +HIS 643 CA 540 GLN 562 N 158 0.995E+00 -0.929E-02 -0.123E-02 +HIS 643 CA 540 GLN 562 CA 159 0.103E+01 0.839E-03 -0.893E-03 +HIS 643 CA 540 GLN 562 CB 162 0.104E+01 -0.722E-03 -0.876E-03 +HIS 643 CA 540 GLN 562 CG 163 0.902E+00 -0.558E-03 -0.203E-02 +HIS 643 CA 540 GLN 562 CD 164 0.936E+00 0.176E-01 -0.144E-02 +HIS 643 CA 540 GLN 562 OE1 165 0.103E+01 -0.143E-01 -0.840E-03 +HIS 643 CA 540 GLN 562 NE2 166 0.872E+00 -0.261E-01 -0.271E-02 +HIS 643 CA 540 LEU 565 CG 200 0.984E+00 0.469E-02 -0.120E-02 +HIS 643 CA 540 LEU 565 CD1 201 0.939E+00 -0.323E-02 -0.160E-02 +HIS 643 CA 540 LEU 565 CD2 202 0.103E+01 -0.280E-02 -0.905E-03 +HIS 643 C 541 ASN 554 C 83 0.102E+01 0.305E+00 -0.763E-03 +HIS 643 C 541 ASN 554 O 84 0.934E+00 -0.296E+00 -0.136E-02 +HIS 643 C 541 ASN 554 CB 85 0.101E+01 -0.469E-01 -0.897E-03 +HIS 643 C 541 ASN 554 OD1 87 0.105E+01 -0.251E+00 -0.684E-03 +HIS 643 C 541 ARG 557 C 112 0.992E+00 0.376E+00 -0.901E-03 +HIS 643 C 541 ARG 557 O 113 0.995E+00 -0.296E+00 -0.928E-03 +HIS 643 C 541 ARG 557 CB 114 0.104E+01 -0.177E-01 -0.758E-03 +HIS 643 C 541 ARG 557 NH1 119 0.101E+01 -0.344E+00 -0.995E-03 +HIS 643 C 541 ALA 558 N 127 0.936E+00 -0.228E+00 -0.157E-02 +HIS 643 C 541 ALA 558 CA 128 0.861E+00 -0.180E-01 -0.238E-02 +HIS 643 C 541 ALA 558 C 129 0.959E+00 0.309E+00 -0.110E-02 +HIS 643 C 541 ALA 558 O 130 0.941E+00 -0.310E+00 -0.130E-02 +HIS 643 C 541 ALA 558 CB 131 0.826E+00 -0.159E+00 -0.306E-02 +HIS 643 C 541 ALA 561 CA 153 0.103E+01 -0.137E-01 -0.830E-03 +HIS 643 C 541 ALA 561 CB 156 0.879E+00 -0.143E+00 -0.210E-02 +HIS 643 C 541 GLN 562 CG 163 0.986E+00 -0.104E-01 -0.105E-02 +HIS 643 C 541 GLN 562 CD 164 0.102E+01 0.332E+00 -0.779E-03 +HIS 643 C 541 GLN 562 NE2 166 0.961E+00 -0.477E+00 -0.134E-02 +HIS 643 O 542 ASN 554 CA 82 0.103E+01 -0.174E-01 -0.833E-03 +HIS 643 O 542 ASN 554 C 83 0.101E+01 -0.248E+00 -0.865E-03 +HIS 643 O 542 ASN 554 O 84 0.931E+00 0.238E+00 -0.141E-02 +HIS 643 O 542 ASN 554 CB 85 0.980E+00 0.394E-01 -0.115E-02 +HIS 643 O 542 ASN 554 CG 86 0.103E+01 -0.229E+00 -0.770E-03 +HIS 643 O 542 ASN 554 OD1 87 0.102E+01 0.207E+00 -0.800E-03 +HIS 643 O 542 ARG 557 C 112 0.104E+01 -0.282E+00 -0.728E-03 +HIS 643 O 542 ARG 557 NH1 119 0.104E+01 0.264E+00 -0.868E-03 +HIS 643 O 542 ALA 558 N 127 0.968E+00 0.173E+00 -0.133E-02 +HIS 643 O 542 ALA 558 CA 128 0.895E+00 0.135E-01 -0.198E-02 +HIS 643 O 542 ALA 558 C 129 0.999E+00 -0.232E+00 -0.907E-03 +HIS 643 O 542 ALA 558 O 130 0.991E+00 0.229E+00 -0.969E-03 +HIS 643 O 542 ALA 558 CB 131 0.840E+00 0.123E+00 -0.289E-02 +HIS 643 O 542 ALA 561 CB 156 0.965E+00 0.987E-01 -0.126E-02 +HIS 643 O 542 GLN 562 CG 163 0.104E+01 0.770E-02 -0.809E-03 +HIS 643 O 542 GLN 562 NE2 166 0.991E+00 0.364E+00 -0.116E-02 +HIS 643 CB 543 ALA 558 CA 128 0.997E+00 0.329E-02 -0.111E-02 +HIS 643 CB 543 ALA 558 O 130 0.103E+01 0.625E-01 -0.871E-03 +HIS 643 CB 543 ALA 558 CB 131 0.974E+00 0.280E-01 -0.129E-02 +HIS 643 CB 543 ALA 561 CB 156 0.936E+00 0.297E-01 -0.163E-02 +HIS 643 CB 543 GLN 562 CG 163 0.101E+01 0.231E-02 -0.105E-02 +HIS 643 CB 543 GLN 562 CD 164 0.105E+01 -0.731E-01 -0.741E-03 +HIS 643 CB 543 GLN 562 NE2 166 0.976E+00 0.107E+00 -0.138E-02 +HIS 643 CB 543 LEU 565 CG 200 0.102E+01 -0.219E-01 -0.985E-03 +HIS 643 CB 543 LEU 565 CD1 201 0.968E+00 0.151E-01 -0.133E-02 +HIS 643 CB 543 LEU 565 CD2 202 0.105E+01 0.135E-01 -0.833E-03 +HIS 643 CG 544 ALA 558 CA 128 0.105E+01 -0.559E-02 -0.733E-03 +HIS 643 CG 544 ALA 558 CB 131 0.102E+01 -0.480E-01 -0.880E-03 +HIS 643 CG 544 ALA 561 CB 156 0.989E+00 -0.500E-01 -0.104E-02 +HIS 643 CG 544 GLN 562 CG 163 0.989E+00 -0.434E-02 -0.104E-02 +HIS 643 CG 544 GLN 562 CD 164 0.102E+01 0.139E+00 -0.776E-03 +HIS 643 CG 544 GLN 562 NE2 166 0.933E+00 -0.210E+00 -0.161E-02 +HIS 643 CG 544 LEU 565 CG 200 0.986E+00 0.419E-01 -0.106E-02 +HIS 643 CG 544 LEU 565 CD1 201 0.915E+00 -0.301E-01 -0.165E-02 +HIS 643 CG 544 LEU 565 CD2 202 0.102E+01 -0.257E-01 -0.882E-03 +HIS 643 ND1 545 GLN 562 NE2 166 0.100E+01 0.286E+00 -0.129E-02 +HIS 643 ND1 545 LEU 565 CD1 201 0.100E+01 0.399E-01 -0.118E-02 +HIS 643 CD2 546 ALA 558 CA 128 0.101E+01 0.631E-02 -0.910E-03 +HIS 643 CD2 546 ALA 558 O 130 0.986E+00 0.130E+00 -0.979E-03 +HIS 643 CD2 546 ALA 558 CB 131 0.986E+00 0.538E-01 -0.106E-02 +HIS 643 CD2 546 ALA 561 CA 153 0.105E+01 0.601E-02 -0.742E-03 +HIS 643 CD2 546 ALA 561 C 154 0.102E+01 -0.127E+00 -0.776E-03 +HIS 643 CD2 546 ALA 561 O 155 0.103E+01 0.121E+00 -0.735E-03 +HIS 643 CD2 546 ALA 561 CB 156 0.928E+00 0.591E-01 -0.152E-02 +HIS 643 CD2 546 GLN 562 N 158 0.102E+01 0.864E-01 -0.953E-03 +HIS 643 CD2 546 GLN 562 CA 159 0.102E+01 -0.825E-02 -0.868E-03 +HIS 643 CD2 546 GLN 562 CB 162 0.102E+01 0.710E-02 -0.850E-03 +HIS 643 CD2 546 GLN 562 CG 163 0.891E+00 0.548E-02 -0.194E-02 +HIS 643 CD2 546 GLN 562 CD 164 0.922E+00 -0.173E+00 -0.140E-02 +HIS 643 CD2 546 GLN 562 OE1 165 0.103E+01 0.137E+00 -0.736E-03 +HIS 643 CD2 546 GLN 562 NE2 166 0.836E+00 0.269E+00 -0.311E-02 +HIS 643 CD2 546 LEU 565 CB 199 0.999E+00 0.330E-01 -0.978E-03 +HIS 643 CD2 546 LEU 565 CG 200 0.864E+00 -0.553E-01 -0.233E-02 +HIS 643 CD2 546 LEU 565 CD1 201 0.786E+00 0.417E-01 -0.411E-02 +HIS 643 CD2 546 LEU 565 CD2 202 0.898E+00 0.333E-01 -0.185E-02 +HIS 643 CE1 547 GLN 562 CG 163 0.105E+01 -0.373E-03 -0.729E-03 +HIS 643 CE1 547 GLN 562 NE2 166 0.955E+00 -0.189E-01 -0.140E-02 +HIS 643 CE1 547 LEU 565 CG 200 0.104E+01 0.364E-02 -0.776E-03 +HIS 643 CE1 547 LEU 565 CD1 201 0.942E+00 -0.269E-02 -0.139E-02 +HIS 643 NE2 548 ALA 561 CB 156 0.103E+01 0.167E-01 -0.102E-02 +HIS 643 NE2 548 GLN 562 CG 163 0.936E+00 0.167E-02 -0.177E-02 +HIS 643 NE2 548 GLN 562 CD 164 0.954E+00 -0.540E-01 -0.141E-02 +HIS 643 NE2 548 GLN 562 NE2 166 0.854E+00 0.852E-01 -0.333E-02 +HIS 643 NE2 548 LEU 565 CB 199 0.104E+01 0.103E-01 -0.958E-03 +HIS 643 NE2 548 LEU 565 CG 200 0.906E+00 -0.168E-01 -0.216E-02 +HIS 643 NE2 548 LEU 565 CD1 201 0.810E+00 0.130E-01 -0.423E-02 +HIS 643 NE2 548 LEU 565 CD2 202 0.940E+00 0.102E-01 -0.173E-02 +SER 644 N 552 ASN 554 CA 82 0.103E+01 -0.180E-01 -0.102E-02 +SER 644 N 552 ASN 554 C 83 0.101E+01 -0.253E+00 -0.100E-02 +SER 644 N 552 ASN 554 O 84 0.921E+00 0.247E+00 -0.180E-02 +SER 644 N 552 ASN 554 CB 85 0.997E+00 0.393E-01 -0.122E-02 +SER 644 N 552 ASN 554 CG 86 0.103E+01 -0.232E+00 -0.877E-03 +SER 644 N 552 ASN 554 OD1 87 0.100E+01 0.218E+00 -0.108E-02 +SER 644 N 552 ARG 557 CA 111 0.105E+01 0.508E-01 -0.895E-03 +SER 644 N 552 ARG 557 C 112 0.960E+00 -0.323E+00 -0.135E-02 +SER 644 N 552 ARG 557 O 113 0.960E+00 0.256E+00 -0.140E-02 +SER 644 N 552 ARG 557 CB 114 0.987E+00 0.157E-01 -0.130E-02 +SER 644 N 552 ARG 557 CZ 118 0.989E+00 -0.239E+00 -0.113E-02 +SER 644 N 552 ARG 557 NH1 119 0.918E+00 0.325E+00 -0.217E-02 +SER 644 N 552 ARG 557 NH2 120 0.102E+01 0.278E+00 -0.118E-02 +SER 644 N 552 ALA 558 N 127 0.919E+00 0.192E+00 -0.215E-02 +SER 644 N 552 ALA 558 CA 128 0.859E+00 0.148E-01 -0.297E-02 +SER 644 N 552 ALA 558 C 129 0.964E+00 -0.250E+00 -0.132E-02 +SER 644 N 552 ALA 558 O 130 0.948E+00 0.250E+00 -0.151E-02 +SER 644 N 552 ALA 558 CB 131 0.842E+00 0.126E+00 -0.334E-02 +SER 644 N 552 ALA 561 CA 153 0.996E+00 0.117E-01 -0.122E-02 +SER 644 N 552 ALA 561 C 154 0.104E+01 -0.223E+00 -0.817E-03 +SER 644 N 552 ALA 561 CB 156 0.847E+00 0.124E+00 -0.324E-02 +SER 644 N 552 GLN 562 CG 163 0.102E+01 0.805E-02 -0.104E-02 +SER 644 N 552 GLN 562 NE2 166 0.103E+01 0.354E+00 -0.111E-02 +SER 644 CA 553 ASN 554 CA 82 0.967E+00 0.430E-02 -0.134E-02 +SER 644 CA 553 ASN 554 C 83 0.970E+00 0.586E-01 -0.117E-02 +SER 644 CA 553 ASN 554 O 84 0.894E+00 -0.565E-01 -0.199E-02 +SER 644 CA 553 ASN 554 CB 85 0.926E+00 -0.958E-02 -0.173E-02 +SER 644 CA 553 ASN 554 CG 86 0.943E+00 0.578E-01 -0.138E-02 +SER 644 CA 553 ASN 554 OD1 87 0.908E+00 -0.554E-01 -0.181E-02 +SER 644 CA 553 ASN 554 ND2 88 0.103E+01 -0.678E-01 -0.989E-03 +SER 644 CA 553 ARG 557 CA 111 0.104E+01 -0.112E-01 -0.859E-03 +SER 644 CA 553 ARG 557 C 112 0.970E+00 0.693E-01 -0.117E-02 +SER 644 CA 553 ARG 557 O 113 0.984E+00 -0.537E-01 -0.112E-02 +SER 644 CA 553 ARG 557 CB 114 0.960E+00 -0.357E-02 -0.140E-02 +SER 644 CA 553 ARG 557 CD 116 0.101E+01 0.112E-01 -0.100E-02 +SER 644 CA 553 ARG 557 NE 117 0.987E+00 0.430E-01 -0.129E-02 +SER 644 CA 553 ARG 557 CZ 118 0.905E+00 0.598E-01 -0.176E-02 +SER 644 CA 553 ARG 557 NH1 119 0.834E+00 -0.830E-01 -0.355E-02 +SER 644 CA 553 ARG 557 NH2 120 0.920E+00 -0.706E-01 -0.196E-02 +SER 644 CA 553 ARG 557 HE 122 0.105E+01 0.102E-01 -0.254E-04 +SER 644 CA 553 ALA 558 N 127 0.931E+00 -0.409E-01 -0.183E-02 +SER 644 CA 553 ALA 558 CA 128 0.891E+00 -0.304E-02 -0.218E-02 +SER 644 CA 553 ALA 558 C 129 0.101E+01 0.509E-01 -0.908E-03 +SER 644 CA 553 ALA 558 O 130 0.101E+01 -0.496E-01 -0.953E-03 +SER 644 CA 553 ALA 558 CB 131 0.871E+00 -0.259E-01 -0.250E-02 +SER 644 CA 553 ALA 561 CB 156 0.913E+00 -0.240E-01 -0.188E-02 +SER 644 C 554 GLN 551 OE1 53 0.979E+00 -0.241E+00 -0.102E-02 +SER 644 C 554 ASN 553 C 72 0.103E+01 0.219E+00 -0.709E-03 +SER 644 C 554 ASN 553 O 73 0.100E+01 -0.194E+00 -0.884E-03 +SER 644 C 554 ASN 554 N 81 0.961E+00 -0.170E+00 -0.135E-02 +SER 644 C 554 ASN 554 CA 82 0.821E+00 0.229E-01 -0.316E-02 +SER 644 C 554 ASN 554 C 83 0.825E+00 0.311E+00 -0.272E-02 +SER 644 C 554 ASN 554 O 84 0.755E+00 -0.310E+00 -0.485E-02 +SER 644 C 554 ASN 554 CB 85 0.776E+00 -0.528E-01 -0.442E-02 +SER 644 C 554 ASN 554 CG 86 0.799E+00 0.312E+00 -0.330E-02 +SER 644 C 554 ASN 554 OD1 87 0.771E+00 -0.300E+00 -0.428E-02 +SER 644 C 554 ASN 554 ND2 88 0.888E+00 -0.349E+00 -0.216E-02 +SER 644 C 554 LEU 555 N 92 0.936E+00 -0.146E+00 -0.157E-02 +SER 644 C 554 LEU 555 CA 93 0.983E+00 -0.385E-01 -0.108E-02 +SER 644 C 554 LEU 555 C 94 0.103E+01 0.204E+00 -0.720E-03 +SER 644 C 554 LEU 555 O 95 0.101E+01 -0.205E+00 -0.864E-03 +SER 644 C 554 LEU 555 CD2 99 0.102E+01 -0.441E-01 -0.840E-03 +SER 644 C 554 ARG 557 N 110 0.100E+01 -0.111E+00 -0.105E-02 +SER 644 C 554 ARG 557 CA 111 0.936E+00 -0.537E-01 -0.144E-02 +SER 644 C 554 ARG 557 C 112 0.871E+00 0.336E+00 -0.197E-02 +SER 644 C 554 ARG 557 O 113 0.900E+00 -0.252E+00 -0.169E-02 +SER 644 C 554 ARG 557 CB 114 0.854E+00 -0.176E-01 -0.249E-02 +SER 644 C 554 ARG 557 CG 115 0.961E+00 0.473E-02 -0.124E-02 +SER 644 C 554 ARG 557 CD 116 0.919E+00 0.533E-01 -0.161E-02 +SER 644 C 554 ARG 557 NE 117 0.879E+00 0.211E+00 -0.229E-02 +SER 644 C 554 ARG 557 CZ 118 0.802E+00 0.300E+00 -0.323E-02 +SER 644 C 554 ARG 557 NH1 119 0.748E+00 -0.412E+00 -0.603E-02 +SER 644 C 554 ARG 557 NH2 120 0.809E+00 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0.672E+00 -0.154E+00 -0.110E-01 +LEU 645 CG 565 ASN 553 CB 74 0.917E+00 -0.158E-01 -0.184E-02 +LEU 645 CG 565 ASN 553 CG 75 0.891E+00 0.103E+00 -0.193E-02 +LEU 645 CG 565 ASN 553 OD1 76 0.836E+00 -0.103E+00 -0.297E-02 +LEU 645 CG 565 ASN 553 ND2 77 0.956E+00 -0.124E+00 -0.157E-02 +LEU 645 CG 565 ASN 554 N 81 0.710E+00 -0.113E+00 -0.923E-02 +LEU 645 CG 565 ASN 554 CA 82 0.583E+00 0.177E-01 -0.267E-01 +LEU 645 CG 565 ASN 554 C 83 0.569E+00 0.257E+00 -0.274E-01 +LEU 645 CG 565 ASN 554 O 84 0.471E+00 -0.338E+00 -0.841E-01 +LEU 645 CG 565 ASN 554 CB 85 0.620E+00 -0.325E-01 -0.188E-01 +LEU 645 CG 565 ASN 554 CG 86 0.669E+00 0.173E+00 -0.106E-01 +LEU 645 CG 565 ASN 554 OD1 87 0.624E+00 -0.180E+00 -0.170E-01 +LEU 645 CG 565 ASN 554 ND2 88 0.796E+00 -0.167E+00 -0.468E-02 +LEU 645 CG 565 LEU 555 N 92 0.692E+00 -0.983E-01 -0.108E-01 +LEU 645 CG 565 LEU 555 CA 93 0.735E+00 -0.249E-01 -0.690E-02 +LEU 645 CG 565 LEU 555 C 94 0.731E+00 0.143E+00 -0.631E-02 +LEU 645 CG 565 LEU 555 O 95 0.701E+00 -0.151E+00 -0.850E-02 +LEU 645 CG 565 LEU 555 CB 96 0.884E+00 -0.257E-01 -0.229E-02 +LEU 645 CG 565 LEU 555 CG 97 0.939E+00 0.312E-01 -0.160E-02 +LEU 645 CG 565 LEU 555 CD2 99 0.891E+00 -0.217E-01 -0.219E-02 +LEU 645 CG 565 LEU 556 N 101 0.789E+00 -0.770E-01 -0.493E-02 +LEU 645 CG 565 LEU 556 CA 102 0.829E+00 -0.201E-01 -0.336E-02 +LEU 645 CG 565 LEU 556 C 103 0.724E+00 0.145E+00 -0.669E-02 +LEU 645 CG 565 LEU 556 O 104 0.756E+00 -0.131E+00 -0.540E-02 +LEU 645 CG 565 LEU 556 CB 105 0.916E+00 -0.243E-01 -0.185E-02 +LEU 645 CG 565 LEU 556 CG 106 0.100E+01 0.283E-01 -0.109E-02 +LEU 645 CG 565 ARG 557 N 110 0.617E+00 -0.105E+00 -0.212E-01 +LEU 645 CG 565 ARG 557 CA 111 0.529E+00 -0.641E-01 -0.463E-01 +LEU 645 CG 565 ARG 557 C 112 0.475E+00 0.461E+00 -0.731E-01 +LEU 645 CG 565 ARG 557 O 113 0.507E+00 -0.313E+00 -0.566E-01 +LEU 645 CG 565 ARG 557 CB 114 0.449E+00 -0.268E-01 -0.108E+00 +LEU 645 CG 565 ARG 557 CG 115 0.565E+00 0.507E-02 -0.322E-01 +LEU 645 CG 565 ARG 557 CD 116 0.552E+00 0.561E-01 -0.367E-01 +LEU 645 CG 565 ARG 557 NE 117 0.555E+00 0.205E+00 -0.391E-01 +LEU 645 CG 565 ARG 557 CZ 118 0.528E+00 0.278E+00 -0.416E-01 +LEU 645 CG 565 ARG 557 NH1 119 0.489E+00 -0.405E+00 -0.792E-01 +LEU 645 CG 565 ARG 557 NH2 120 0.592E+00 -0.261E+00 -0.268E-01 +LEU 645 CG 565 ARG 557 HE 122 0.612E+00 0.426E-01 -0.634E-03 +LEU 645 CG 565 ALA 558 N 127 0.462E+00 -0.275E+00 -0.106E+00 +LEU 645 CG 565 ALA 558 CA 128 0.475E+00 -0.177E-01 -0.828E-01 +LEU 645 CG 565 ALA 558 C 129 0.611E+00 0.203E+00 -0.181E-01 +LEU 645 CG 565 ALA 558 O 130 0.646E+00 -0.176E+00 -0.138E-01 +LEU 645 CG 565 ALA 558 CB 131 0.507E+00 -0.125E+00 -0.589E-01 +LEU 645 CG 565 ILE 559 N 133 0.709E+00 -0.119E+00 -0.934E-02 +LEU 645 CG 565 ILE 559 CA 134 0.847E+00 -0.196E-01 -0.297E-02 +LEU 645 CG 565 ILE 559 C 135 0.868E+00 0.105E+00 -0.227E-02 +LEU 645 CG 565 ILE 559 O 136 0.951E+00 -0.987E-01 -0.137E-02 +LEU 645 CG 565 ILE 559 CB 137 0.950E+00 0.989E-02 -0.149E-02 +LEU 645 CG 565 ILE 559 CG1 138 0.972E+00 0.339E-02 -0.130E-02 +LEU 645 CG 565 GLU 560 N 142 0.818E+00 -0.861E-01 -0.397E-02 +LEU 645 CG 565 GLU 560 CA 143 0.873E+00 0.583E-02 -0.246E-02 +LEU 645 CG 565 GLU 560 C 144 0.837E+00 0.919E-01 -0.281E-02 +LEU 645 CG 565 GLU 560 O 145 0.934E+00 -0.970E-01 -0.153E-02 +LEU 645 CG 565 GLU 560 CB 146 0.854E+00 0.142E-01 -0.281E-02 +LEU 645 CG 565 GLU 560 CG 147 0.929E+00 -0.562E-02 -0.171E-02 +LEU 645 CG 565 GLU 560 CD 148 0.944E+00 0.123E+00 -0.137E-02 +LEU 645 CG 565 GLU 560 OE1 149 0.900E+00 -0.143E+00 -0.191E-02 +LEU 645 CG 565 GLU 560 OE2 150 0.102E+01 -0.118E+00 -0.889E-03 +LEU 645 CG 565 ALA 561 N 152 0.716E+00 -0.105E+00 -0.877E-02 +LEU 645 CG 565 ALA 561 CA 153 0.707E+00 -0.743E-02 -0.865E-02 +LEU 645 CG 565 ALA 561 C 154 0.811E+00 0.118E+00 -0.339E-02 +LEU 645 CG 565 ALA 561 O 155 0.905E+00 -0.954E-01 -0.184E-02 +LEU 645 CG 565 ALA 561 CB 156 0.573E+00 -0.941E-01 -0.296E-01 +LEU 645 CG 565 GLN 562 N 158 0.827E+00 -0.773E-01 -0.372E-02 +LEU 645 CG 565 GLN 562 CA 159 0.944E+00 0.596E-02 -0.155E-02 +LEU 645 CG 565 GLN 562 CB 162 0.962E+00 -0.501E-02 -0.139E-02 +LEU 645 CG 565 GLN 562 CG 163 0.875E+00 -0.363E-02 -0.244E-02 +LEU 645 CG 565 GLN 562 CD 164 0.930E+00 0.110E+00 -0.150E-02 +LEU 645 CG 565 GLN 562 OE1 165 0.972E+00 -0.967E-01 -0.121E-02 +LEU 645 CG 565 GLN 562 NE2 166 0.953E+00 -0.140E+00 -0.159E-02 +LEU 645 CG 565 HIS 564 HD1 193 0.102E+01 0.228E-01 -0.290E-04 +LEU 645 CD1 566 GLN 550 O 37 0.963E+00 0.566E-01 -0.128E-02 +LEU 645 CD1 566 GLN 551 C 48 0.998E+00 -0.397E-01 -0.981E-03 +LEU 645 CD1 566 GLN 551 O 49 0.894E+00 0.636E-01 -0.199E-02 +LEU 645 CD1 566 GLN 551 OE1 53 0.991E+00 0.602E-01 -0.107E-02 +LEU 645 CD1 566 GLN 552 C 60 0.950E+00 -0.428E-01 -0.132E-02 +LEU 645 CD1 566 GLN 552 O 61 0.895E+00 0.634E-01 -0.198E-02 +LEU 645 CD1 566 ASN 553 N 70 0.933E+00 0.452E-01 -0.181E-02 +LEU 645 CD1 566 ASN 553 CA 71 0.842E+00 -0.558E-02 -0.306E-02 +LEU 645 CD1 566 ASN 553 C 72 0.700E+00 -0.107E+00 -0.816E-02 +LEU 645 CD1 566 ASN 553 O 73 0.614E+00 0.118E+00 -0.185E-01 +LEU 645 CD1 566 ASN 553 CB 74 0.889E+00 0.107E-01 -0.222E-02 +LEU 645 CD1 566 ASN 553 CG 75 0.853E+00 -0.709E-01 -0.251E-02 +LEU 645 CD1 566 ASN 553 OD1 76 0.781E+00 0.746E-01 -0.448E-02 +LEU 645 CD1 566 ASN 553 ND2 77 0.926E+00 0.832E-01 -0.190E-02 +LEU 645 CD1 566 ASN 554 N 81 0.696E+00 0.753E-01 -0.104E-01 +LEU 645 CD1 566 ASN 554 CA 82 0.583E+00 -0.114E-01 -0.269E-01 +LEU 645 CD1 566 ASN 554 C 83 0.547E+00 -0.179E+00 -0.341E-01 +LEU 645 CD1 566 ASN 554 O 84 0.438E+00 0.259E+00 -0.123E+00 +LEU 645 CD1 566 ASN 554 CB 85 0.653E+00 0.187E-01 -0.139E-01 +LEU 645 CD1 566 ASN 554 CG 86 0.717E+00 -0.967E-01 -0.708E-02 +LEU 645 CD1 566 ASN 554 OD1 87 0.674E+00 0.984E-01 -0.107E-01 +LEU 645 CD1 566 ASN 554 ND2 88 0.848E+00 0.958E-01 -0.320E-02 +LEU 645 CD1 566 LEU 555 N 92 0.662E+00 0.688E-01 -0.140E-01 +LEU 645 CD1 566 LEU 555 CA 93 0.690E+00 0.180E-01 -0.100E-01 +LEU 645 CD1 566 LEU 555 C 94 0.657E+00 -0.113E+00 -0.119E-01 +LEU 645 CD1 566 LEU 555 O 95 0.616E+00 0.125E+00 -0.183E-01 +LEU 645 CD1 566 LEU 555 CB 96 0.841E+00 0.179E-01 -0.308E-02 +LEU 645 CD1 566 LEU 555 CG 97 0.919E+00 -0.207E-01 -0.182E-02 +LEU 645 CD1 566 LEU 555 CD2 99 0.883E+00 0.141E-01 -0.231E-02 +LEU 645 CD1 566 LEU 556 N 101 0.706E+00 0.605E-01 -0.954E-02 +LEU 645 CD1 566 LEU 556 CA 102 0.725E+00 0.164E-01 -0.745E-02 +LEU 645 CD1 566 LEU 556 C 103 0.607E+00 -0.133E+00 -0.188E-01 +LEU 645 CD1 566 LEU 556 O 104 0.627E+00 0.121E+00 -0.165E-01 +LEU 645 CD1 566 LEU 556 CB 105 0.815E+00 0.189E-01 -0.374E-02 +LEU 645 CD1 566 LEU 556 CG 106 0.886E+00 -0.219E-01 -0.227E-02 +LEU 645 CD1 566 LEU 556 CD1 107 0.980E+00 0.120E-01 -0.124E-02 +LEU 645 CD1 566 LEU 556 CD2 108 0.980E+00 0.120E-01 -0.123E-02 +LEU 645 CD1 566 ARG 557 N 110 0.506E+00 0.105E+00 -0.655E-01 +LEU 645 CD1 566 ARG 557 CA 111 0.403E+00 0.802E-01 -0.164E+00 +LEU 645 CD1 566 ARG 557 C 112 0.339E+00 -0.709E+00 0.576E-02 +LEU 645 CD1 566 ARG 557 O 113 0.361E+00 0.473E+00 -0.245E+00 +LEU 645 CD1 566 ARG 557 CB 114 0.346E+00 0.341E-01 -0.637E-01 +LEU 645 CD1 566 ARG 557 CG 115 0.473E+00 -0.490E-02 -0.840E-01 +LEU 645 CD1 566 ARG 557 CD 116 0.493E+00 -0.467E-01 -0.683E-01 +LEU 645 CD1 566 ARG 557 NE 117 0.529E+00 -0.146E+00 -0.514E-01 +LEU 645 CD1 566 ARG 557 CZ 118 0.538E+00 -0.171E+00 -0.375E-01 +LEU 645 CD1 566 ARG 557 NH1 119 0.511E+00 0.234E+00 -0.623E-01 +LEU 645 CD1 566 ARG 557 NH2 120 0.624E+00 0.150E+00 -0.198E-01 +LEU 645 CD1 566 ARG 557 HE 122 0.583E+00 -0.303E-01 -0.848E-03 +LEU 645 CD1 566 ALA 558 N 127 0.349E+00 0.364E+00 -0.167E+00 +LEU 645 CD1 566 ALA 558 CA 128 0.377E+00 0.205E-01 -0.176E+00 +LEU 645 CD1 566 ALA 558 C 129 0.502E+00 -0.202E+00 -0.547E-01 +LEU 645 CD1 566 ALA 558 O 130 0.539E+00 0.167E+00 -0.397E-01 +LEU 645 CD1 566 ALA 558 CB 131 0.447E+00 0.108E+00 -0.111E+00 +LEU 645 CD1 566 ILE 559 N 133 0.595E+00 0.109E+00 -0.262E-01 +LEU 645 CD1 566 ILE 559 CA 134 0.727E+00 0.164E-01 -0.734E-02 +LEU 645 CD1 566 ILE 559 C 135 0.736E+00 -0.898E-01 -0.608E-02 +LEU 645 CD1 566 ILE 559 O 136 0.820E+00 0.805E-01 -0.334E-02 +LEU 645 CD1 566 ILE 559 CB 137 0.832E+00 -0.786E-02 -0.330E-02 +LEU 645 CD1 566 ILE 559 CG1 138 0.870E+00 -0.259E-02 -0.252E-02 +LEU 645 CD1 566 ILE 559 CG2 139 0.963E+00 0.130E-01 -0.137E-02 +LEU 645 CD1 566 ILE 559 CD1 140 0.972E+00 0.996E-02 -0.130E-02 +LEU 645 CD1 566 GLU 560 N 142 0.677E+00 0.782E-01 -0.122E-01 +LEU 645 CD1 566 GLU 560 CA 143 0.728E+00 -0.515E-02 -0.731E-02 +LEU 645 CD1 566 GLU 560 C 144 0.696E+00 -0.824E-01 -0.845E-02 +LEU 645 CD1 566 GLU 560 O 145 0.796E+00 0.810E-01 -0.397E-02 +LEU 645 CD1 566 GLU 560 CB 146 0.706E+00 -0.128E-01 -0.873E-02 +LEU 645 CD1 566 GLU 560 CG 147 0.783E+00 0.478E-02 -0.472E-02 +LEU 645 CD1 566 GLU 560 CD 148 0.804E+00 -0.103E+00 -0.359E-02 +LEU 645 CD1 566 GLU 560 OE1 149 0.762E+00 0.122E+00 -0.517E-02 +LEU 645 CD1 566 GLU 560 OE2 150 0.887E+00 0.939E-01 -0.209E-02 +LEU 645 CD1 566 ALA 561 N 152 0.579E+00 0.104E+00 -0.305E-01 +LEU 645 CD1 566 ALA 561 CA 153 0.585E+00 0.703E-02 -0.264E-01 +LEU 645 CD1 566 ALA 561 C 154 0.698E+00 -0.994E-01 -0.829E-02 +LEU 645 CD1 566 ALA 561 O 155 0.798E+00 0.756E-01 -0.393E-02 +LEU 645 CD1 566 ALA 561 CB 156 0.463E+00 0.992E-01 -0.939E-01 +LEU 645 CD1 566 GLN 562 N 158 0.715E+00 0.645E-01 -0.888E-02 +LEU 645 CD1 566 GLN 562 CA 159 0.840E+00 -0.461E-02 -0.310E-02 +LEU 645 CD1 566 GLN 562 C 160 0.961E+00 -0.421E-01 -0.124E-02 +LEU 645 CD1 566 GLN 562 CB 162 0.865E+00 0.380E-02 -0.262E-02 +LEU 645 CD1 566 GLN 562 CG 163 0.795E+00 0.274E-02 -0.431E-02 +LEU 645 CD1 566 GLN 562 CD 164 0.860E+00 -0.800E-01 -0.239E-02 +LEU 645 CD1 566 GLN 562 OE1 165 0.894E+00 0.706E-01 -0.199E-02 +LEU 645 CD1 566 GLN 562 NE2 166 0.902E+00 0.979E-01 -0.222E-02 +LEU 645 CD1 566 GLN 563 N 170 0.957E+00 0.391E-01 -0.156E-02 +LEU 645 CD1 566 HIS 564 N 182 0.104E+01 0.470E-01 -0.930E-03 +LEU 645 CD1 566 HIS 564 CB 186 0.103E+01 0.138E-01 -0.919E-03 +LEU 645 CD1 566 HIS 564 CG 187 0.101E+01 -0.260E-01 -0.932E-03 +LEU 645 CD1 566 HIS 564 ND1 188 0.948E+00 0.434E-01 -0.165E-02 +LEU 645 CD1 566 HIS 564 CE1 190 0.973E+00 -0.256E-02 -0.114E-02 +LEU 645 CD1 566 HIS 564 NE2 191 0.105E+01 0.868E-02 -0.911E-03 +LEU 645 CD1 566 HIS 564 HD1 193 0.912E+00 -0.174E-01 -0.584E-04 +LEU 645 CD2 567 GLN 550 C 36 0.965E+00 -0.418E-01 -0.120E-02 +LEU 645 CD2 567 GLN 550 O 37 0.853E+00 0.687E-01 -0.264E-02 +LEU 645 CD2 567 GLN 550 CD 40 0.965E+00 -0.666E-01 -0.120E-02 +LEU 645 CD2 567 GLN 550 OE1 41 0.949E+00 0.642E-01 -0.139E-02 +LEU 645 CD2 567 GLN 550 NE2 42 0.881E+00 0.102E+00 -0.255E-02 +LEU 645 CD2 567 GLN 551 N 46 0.102E+01 0.356E-01 -0.107E-02 +LEU 645 CD2 567 GLN 551 CA 47 0.968E+00 -0.367E-02 -0.133E-02 +LEU 645 CD2 567 GLN 551 C 48 0.941E+00 -0.435E-01 -0.140E-02 +LEU 645 CD2 567 GLN 551 O 49 0.852E+00 0.687E-01 -0.265E-02 +LEU 645 CD2 567 GLN 551 CD 52 0.102E+01 -0.610E-01 -0.843E-03 +LEU 645 CD2 567 GLN 551 OE1 53 0.907E+00 0.690E-01 -0.182E-02 +LEU 645 CD2 567 GLN 552 N 58 0.103E+01 0.350E-01 -0.989E-03 +LEU 645 CD2 567 GLN 552 CA 59 0.105E+01 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0.999E+00 -0.134E-01 -0.976E-03 +GLU 648 C 590 ARG 557 CD 116 0.104E+01 0.429E-01 -0.756E-03 +GLU 648 C 590 ARG 557 NE 117 0.933E+00 0.187E+00 -0.161E-02 +GLU 648 C 590 ARG 557 CZ 118 0.856E+00 0.261E+00 -0.218E-02 +GLU 648 C 590 ARG 557 NH1 119 0.883E+00 -0.301E+00 -0.223E-02 +GLU 648 C 590 ARG 557 NH2 120 0.777E+00 -0.374E+00 -0.478E-02 +GLU 648 C 590 ARG 557 HE 122 0.929E+00 0.485E-01 -0.462E-04 +GLU 648 C 590 ALA 558 N 127 0.984E+00 -0.150E+00 -0.116E-02 +GLU 648 C 590 ALA 558 CA 128 0.992E+00 -0.102E-01 -0.102E-02 +GLU 648 C 590 ALA 558 CB 131 0.898E+00 -0.980E-01 -0.185E-02 +GLU 648 O 591 GLY 547 CA 13 0.969E+00 0.617E-01 -0.123E-02 +GLU 648 O 591 GLY 547 C 14 0.938E+00 -0.292E+00 -0.132E-02 +GLU 648 O 591 GLY 547 O 15 0.834E+00 0.310E+00 -0.273E-02 +GLU 648 O 591 ILE 548 N 17 0.105E+01 0.192E+00 -0.825E-03 +GLU 648 O 591 GLN 550 N 34 0.100E+01 0.175E+00 -0.107E-02 +GLU 648 O 591 GLN 550 CA 35 0.892E+00 -0.201E-01 -0.201E-02 +GLU 648 O 591 GLN 550 C 36 0.790E+00 -0.280E+00 -0.368E-02 +GLU 648 O 591 GLN 550 O 37 0.768E+00 0.397E+00 -0.446E-02 +GLU 648 O 591 GLN 550 CB 38 0.841E+00 0.192E-01 -0.287E-02 +GLU 648 O 591 GLN 550 CG 39 0.857E+00 0.116E-01 -0.256E-02 +GLU 648 O 591 GLN 550 CD 40 0.804E+00 -0.432E+00 -0.332E-02 +GLU 648 O 591 GLN 550 OE1 41 0.892E+00 0.342E+00 -0.182E-02 +GLU 648 O 591 GLN 550 NE2 42 0.684E+00 0.772E+00 -0.106E-01 +GLU 648 O 591 GLN 551 N 46 0.758E+00 0.278E+00 -0.575E-02 +GLU 648 O 591 GLN 551 CA 47 0.696E+00 -0.312E-01 -0.885E-02 +GLU 648 O 591 GLN 551 C 48 0.789E+00 -0.280E+00 -0.371E-02 +GLU 648 O 591 GLN 551 O 49 0.763E+00 0.402E+00 -0.464E-02 +GLU 648 O 591 GLN 551 CB 50 0.719E+00 0.254E-01 -0.733E-02 +GLU 648 O 591 GLN 551 CG 51 0.711E+00 0.162E-01 -0.780E-02 +GLU 648 O 591 GLN 551 CD 52 0.587E+00 -0.801E+00 -0.215E-01 +GLU 648 O 591 GLN 551 OE1 53 0.499E+00 0.109E+01 -0.571E-01 +GLU 648 O 591 GLN 551 NE2 54 0.598E+00 0.102E+01 -0.235E-01 +GLU 648 O 591 GLN 552 N 58 0.918E+00 0.201E+00 -0.183E-02 +GLU 648 O 591 GLN 552 CA 59 0.103E+01 -0.162E-01 -0.859E-03 +GLU 648 O 591 GLN 552 C 60 0.103E+01 -0.182E+00 -0.740E-03 +GLU 648 O 591 ASN 553 N 70 0.100E+01 0.196E+00 -0.110E-02 +GLU 648 O 591 ASN 553 CA 71 0.102E+01 -0.200E-01 -0.909E-03 +GLU 648 O 591 ASN 553 C 72 0.927E+00 -0.316E+00 -0.142E-02 +GLU 648 O 591 ASN 553 O 73 0.984E+00 0.245E+00 -0.101E-02 +GLU 648 O 591 ASN 553 CB 74 0.102E+01 0.416E-01 -0.899E-03 +GLU 648 O 591 ASN 554 N 81 0.800E+00 0.281E+00 -0.419E-02 +GLU 648 O 591 ASN 554 CA 82 0.714E+00 -0.362E-01 -0.761E-02 +GLU 648 O 591 ASN 554 C 83 0.776E+00 -0.425E+00 -0.410E-02 +GLU 648 O 591 ASN 554 O 84 0.813E+00 0.333E+00 -0.318E-02 +GLU 648 O 591 ASN 554 CB 85 0.567E+00 0.122E+00 -0.297E-01 +GLU 648 O 591 ASN 554 CG 86 0.535E+00 -0.860E+00 -0.366E-01 +GLU 648 O 591 ASN 554 OD1 87 0.588E+00 0.630E+00 -0.218E-01 +GLU 648 O 591 ASN 554 ND2 88 0.504E+00 0.133E+01 -0.634E-01 +GLU 648 O 591 LEU 555 N 92 0.831E+00 0.217E+00 -0.334E-02 +GLU 648 O 591 LEU 555 CA 93 0.920E+00 0.522E-01 -0.167E-02 +GLU 648 O 591 LEU 555 C 94 0.105E+01 -0.245E+00 -0.691E-03 +GLU 648 O 591 LEU 555 CB 96 0.976E+00 0.681E-01 -0.118E-02 +GLU 648 O 591 LEU 555 CG 97 0.893E+00 -0.104E+00 -0.200E-02 +GLU 648 O 591 LEU 555 CD1 98 0.997E+00 0.563E-01 -0.103E-02 +GLU 648 O 591 LEU 555 CD2 99 0.833E+00 0.749E-01 -0.303E-02 +GLU 648 O 591 ARG 557 NE 117 0.987E+00 -0.216E+00 -0.119E-02 +GLU 648 O 591 ARG 557 CZ 118 0.909E+00 -0.299E+00 -0.159E-02 +GLU 648 O 591 ARG 557 NH1 119 0.946E+00 0.340E+00 -0.154E-02 +GLU 648 O 591 ARG 557 NH2 120 0.816E+00 0.433E+00 -0.370E-02 +GLU 648 O 591 ARG 557 HE 122 0.975E+00 -0.568E-01 -0.290E-04 +GLU 648 O 591 ALA 558 CB 131 0.996E+00 0.105E+00 -0.104E-02 +GLU 648 CB 592 GLY 547 O 15 0.102E+01 -0.285E-01 -0.905E-03 +GLU 648 CB 592 GLN 550 CA 35 0.961E+00 0.226E-02 -0.139E-02 +GLU 648 CB 592 GLN 550 C 36 0.862E+00 0.305E-01 -0.237E-02 +GLU 648 CB 592 GLN 550 O 37 0.798E+00 -0.469E-01 -0.392E-02 +GLU 648 CB 592 GLN 550 CB 38 0.935E+00 -0.204E-02 -0.164E-02 +GLU 648 CB 592 GLN 550 CG 39 0.921E+00 -0.131E-02 -0.179E-02 +GLU 648 CB 592 GLN 550 CD 40 0.821E+00 0.528E-01 -0.316E-02 +GLU 648 CB 592 GLN 550 OE1 41 0.873E+00 -0.448E-01 -0.230E-02 +GLU 648 CB 592 GLN 550 NE2 42 0.695E+00 -0.947E-01 -0.105E-01 +GLU 648 CB 592 GLN 551 N 46 0.874E+00 -0.275E-01 -0.267E-02 +GLU 648 CB 592 GLN 551 CA 47 0.822E+00 0.291E-02 -0.353E-02 +GLU 648 CB 592 GLN 551 C 48 0.878E+00 0.296E-01 -0.212E-02 +GLU 648 CB 592 GLN 551 O 49 0.825E+00 -0.443E-01 -0.322E-02 +GLU 648 CB 592 GLN 551 CB 50 0.896E+00 -0.218E-02 -0.211E-02 +GLU 648 CB 592 GLN 551 CG 51 0.905E+00 -0.134E-02 -0.199E-02 +GLU 648 CB 592 GLN 551 CD 52 0.790E+00 0.565E-01 -0.398E-02 +GLU 648 CB 592 GLN 551 OE1 53 0.675E+00 -0.713E-01 -0.106E-01 +GLU 648 CB 592 GLN 551 NE2 54 0.828E+00 -0.688E-01 -0.371E-02 +GLU 648 CB 592 GLN 552 N 58 0.100E+01 -0.222E-01 -0.118E-02 +GLU 648 CB 592 GLN 552 C 60 0.104E+01 0.227E-01 -0.749E-03 +GLU 648 CB 592 ASN 553 N 70 0.996E+00 -0.249E-01 -0.122E-02 +GLU 648 CB 592 ASN 553 CA 71 0.969E+00 0.272E-02 -0.132E-02 +GLU 648 CB 592 ASN 553 C 72 0.853E+00 0.457E-01 -0.252E-02 +GLU 648 CB 592 ASN 553 O 73 0.876E+00 -0.371E-01 -0.225E-02 +GLU 648 CB 592 ASN 553 CB 74 0.961E+00 -0.576E-02 -0.139E-02 +GLU 648 CB 592 ASN 553 CG 75 0.998E+00 0.338E-01 -0.982E-03 +GLU 648 CB 592 ASN 553 OD1 76 0.102E+01 -0.296E-01 -0.909E-03 +GLU 648 CB 592 ASN 553 ND2 77 0.104E+01 -0.429E-01 -0.969E-03 +GLU 648 CB 592 ASN 554 N 81 0.747E+00 -0.402E-01 -0.683E-02 +GLU 648 CB 592 ASN 554 CA 82 0.636E+00 0.577E-02 -0.163E-01 +GLU 648 CB 592 ASN 554 C 83 0.704E+00 0.646E-01 -0.791E-02 +GLU 648 CB 592 ASN 554 O 84 0.702E+00 -0.551E-01 -0.843E-02 +GLU 648 CB 592 ASN 554 CB 85 0.527E+00 -0.181E-01 -0.474E-01 +GLU 648 CB 592 ASN 554 CG 86 0.489E+00 0.134E+00 -0.629E-01 +GLU 648 CB 592 ASN 554 OD1 87 0.480E+00 -0.127E+00 -0.764E-01 +GLU 648 CB 592 ASN 554 ND2 88 0.529E+00 -0.149E+00 -0.510E-01 +GLU 648 CB 592 LEU 555 N 92 0.802E+00 -0.292E-01 -0.447E-02 +GLU 648 CB 592 LEU 555 CA 93 0.897E+00 -0.689E-02 -0.210E-02 +GLU 648 CB 592 LEU 555 C 94 0.987E+00 0.337E-01 -0.105E-02 +GLU 648 CB 592 LEU 555 O 95 0.102E+01 -0.314E-01 -0.918E-03 +GLU 648 CB 592 LEU 555 CB 96 0.996E+00 -0.835E-02 -0.112E-02 +GLU 648 CB 592 LEU 555 CG 97 0.960E+00 0.118E-01 -0.140E-02 +GLU 648 CB 592 LEU 555 CD2 99 0.902E+00 -0.832E-02 -0.204E-02 +GLU 648 CB 592 LEU 556 N 101 0.105E+01 -0.191E-01 -0.901E-03 +GLU 648 CB 592 ARG 557 N 110 0.100E+01 -0.173E-01 -0.118E-02 +GLU 648 CB 592 ARG 557 CA 111 0.986E+00 -0.771E-02 -0.119E-02 +GLU 648 CB 592 ARG 557 C 112 0.976E+00 0.436E-01 -0.112E-02 +GLU 648 CB 592 ARG 557 CB 114 0.879E+00 -0.261E-02 -0.238E-02 +GLU 648 CB 592 ARG 557 CG 115 0.951E+00 0.747E-03 -0.148E-02 +GLU 648 CB 592 ARG 557 CD 116 0.888E+00 0.873E-02 -0.223E-02 +GLU 648 CB 592 ARG 557 NE 117 0.784E+00 0.398E-01 -0.513E-02 +GLU 648 CB 592 ARG 557 CZ 118 0.687E+00 0.620E-01 -0.911E-02 +GLU 648 CB 592 ARG 557 NH1 119 0.688E+00 -0.750E-01 -0.111E-01 +GLU 648 CB 592 ARG 557 NH2 120 0.619E+00 -0.928E-01 -0.207E-01 +GLU 648 CB 592 ARG 557 HE 122 0.801E+00 0.989E-02 -0.127E-03 +GLU 648 CB 592 ALA 558 N 127 0.917E+00 -0.267E-01 -0.201E-02 +GLU 648 CB 592 ALA 558 CA 128 0.936E+00 -0.178E-02 -0.162E-02 +GLU 648 CB 592 ALA 558 CB 131 0.875E+00 -0.163E-01 -0.244E-02 +GLU 648 CG 593 GLY 547 C 14 0.104E+01 -0.144E-01 -0.779E-03 +GLU 648 CG 593 GLY 547 O 15 0.932E+00 0.148E-01 -0.155E-02 +GLU 648 CG 593 VAL 549 O 29 0.105E+01 0.988E-02 -0.762E-03 +GLU 648 CG 593 GLN 550 N 34 0.989E+00 0.103E-01 -0.127E-02 +GLU 648 CG 593 GLN 550 CA 35 0.853E+00 -0.124E-02 -0.284E-02 +GLU 648 CG 593 GLN 550 C 36 0.770E+00 -0.168E-01 -0.462E-02 +GLU 648 CG 593 GLN 550 O 37 0.713E+00 0.261E-01 -0.768E-02 +GLU 648 CG 593 GLN 550 CB 38 0.816E+00 0.116E-02 -0.370E-02 +GLU 648 CG 593 GLN 550 CG 39 0.787E+00 0.771E-03 -0.458E-02 +GLU 648 CG 593 GLN 550 CD 40 0.685E+00 -0.334E-01 -0.924E-02 +GLU 648 CG 593 GLN 550 OE1 41 0.740E+00 0.271E-01 -0.617E-02 +GLU 648 CG 593 GLN 550 NE2 42 0.557E+00 0.682E-01 -0.383E-01 +GLU 648 CG 593 GLN 551 N 46 0.796E+00 0.146E-01 -0.468E-02 +GLU 648 CG 593 GLN 551 CA 47 0.768E+00 -0.149E-02 -0.531E-02 +GLU 648 CG 593 GLN 551 C 48 0.837E+00 -0.145E-01 -0.282E-02 +GLU 648 CG 593 GLN 551 O 49 0.801E+00 0.211E-01 -0.383E-02 +GLU 648 CG 593 GLN 551 CB 50 0.851E+00 0.108E-02 -0.288E-02 +GLU 648 CG 593 GLN 551 CG 51 0.885E+00 0.632E-03 -0.228E-02 +GLU 648 CG 593 GLN 551 CD 52 0.787E+00 -0.258E-01 -0.407E-02 +GLU 648 CG 593 GLN 551 OE1 53 0.672E+00 0.326E-01 -0.110E-01 +GLU 648 CG 593 GLN 551 NE2 54 0.841E+00 0.303E-01 -0.336E-02 +GLU 648 CG 593 GLN 552 N 58 0.954E+00 0.109E-01 -0.158E-02 +GLU 648 CG 593 GLN 552 CA 59 0.105E+01 -0.906E-03 -0.835E-03 +GLU 648 CG 593 GLN 552 C 60 0.101E+01 -0.109E-01 -0.939E-03 +GLU 648 CG 593 GLN 552 O 61 0.105E+01 0.138E-01 -0.770E-03 +GLU 648 CG 593 ASN 553 N 70 0.942E+00 0.123E-01 -0.171E-02 +GLU 648 CG 593 ASN 553 CA 71 0.914E+00 -0.135E-02 -0.188E-02 +GLU 648 CG 593 ASN 553 C 72 0.813E+00 -0.225E-01 -0.335E-02 +GLU 648 CG 593 ASN 553 O 73 0.850E+00 0.177E-01 -0.269E-02 +GLU 648 CG 593 ASN 553 CB 74 0.885E+00 0.297E-02 -0.228E-02 +GLU 648 CG 593 ASN 553 CG 75 0.923E+00 -0.173E-01 -0.157E-02 +GLU 648 CG 593 ASN 553 OD1 76 0.958E+00 0.147E-01 -0.131E-02 +GLU 648 CG 593 ASN 553 ND2 77 0.946E+00 0.222E-01 -0.167E-02 +GLU 648 CG 593 ASN 554 N 81 0.708E+00 0.201E-01 -0.938E-02 +GLU 648 CG 593 ASN 554 CA 82 0.620E+00 -0.276E-02 -0.188E-01 +GLU 648 CG 593 ASN 554 C 83 0.717E+00 -0.282E-01 -0.707E-02 +GLU 648 CG 593 ASN 554 O 84 0.735E+00 0.229E-01 -0.641E-02 +GLU 648 CG 593 ASN 554 CB 85 0.509E+00 0.894E-02 -0.577E-01 +GLU 648 CG 593 ASN 554 CG 86 0.429E+00 -0.842E-01 -0.117E+00 +GLU 648 CG 593 ASN 554 OD1 87 0.406E+00 0.878E-01 -0.176E+00 +GLU 648 CG 593 ASN 554 ND2 88 0.449E+00 0.101E+00 -0.122E+00 +GLU 648 CG 593 LEU 555 N 92 0.814E+00 0.129E-01 -0.409E-02 +GLU 648 CG 593 LEU 555 CA 93 0.926E+00 0.297E-02 -0.173E-02 +GLU 648 CG 593 LEU 555 C 94 0.102E+01 -0.146E-01 -0.884E-03 +GLU 648 CG 593 LEU 555 CB 96 0.102E+01 0.366E-02 -0.972E-03 +GLU 648 CG 593 LEU 555 CG 97 0.983E+00 -0.515E-02 -0.121E-02 +GLU 648 CG 593 LEU 555 CD2 99 0.947E+00 0.349E-02 -0.152E-02 +GLU 648 CG 593 ARG 557 N 110 0.102E+01 0.769E-02 -0.109E-02 +GLU 648 CG 593 ARG 557 CA 111 0.101E+01 0.339E-02 -0.105E-02 +GLU 648 CG 593 ARG 557 C 112 0.102E+01 -0.186E-01 -0.865E-03 +GLU 648 CG 593 ARG 557 CB 114 0.888E+00 0.116E-02 -0.224E-02 +GLU 648 CG 593 ARG 557 CG 115 0.937E+00 -0.346E-03 -0.162E-02 +GLU 648 CG 593 ARG 557 CD 116 0.860E+00 -0.417E-02 -0.270E-02 +GLU 648 CG 593 ARG 557 NE 117 0.740E+00 -0.201E-01 -0.724E-02 +GLU 648 CG 593 ARG 557 CZ 118 0.635E+00 -0.330E-01 -0.145E-01 +GLU 648 CG 593 ARG 557 NH1 119 0.648E+00 0.383E-01 -0.158E-01 +GLU 648 CG 593 ARG 557 NH2 120 0.544E+00 0.559E-01 -0.438E-01 +GLU 648 CG 593 ARG 557 HE 122 0.750E+00 -0.505E-02 -0.188E-03 +GLU 648 CG 593 ALA 558 N 127 0.970E+00 0.111E-01 -0.143E-02 +GLU 648 CG 593 ALA 558 CA 128 0.101E+01 0.721E-03 -0.103E-02 +GLU 648 CG 593 ALA 558 CB 131 0.957E+00 0.642E-02 -0.142E-02 +GLU 648 CD 594 GLY 547 O 15 0.957E+00 -0.320E+00 -0.117E-02 +GLU 648 CD 594 VAL 549 C 28 0.103E+01 0.251E+00 -0.715E-03 +GLU 648 CD 594 VAL 549 O 29 0.999E+00 -0.238E+00 -0.906E-03 +GLU 648 CD 594 GLN 550 N 34 0.958E+00 -0.243E+00 -0.137E-02 +GLU 648 CD 594 GLN 550 CA 35 0.817E+00 0.301E-01 -0.326E-02 +GLU 648 CD 594 GLN 550 C 36 0.744E+00 0.403E+00 -0.505E-02 +GLU 648 CD 594 GLN 550 O 37 0.671E+00 -0.662E+00 -0.975E-02 +GLU 648 CD 594 GLN 550 CB 38 0.795E+00 -0.273E-01 -0.382E-02 +GLU 648 CD 594 GLN 550 CG 39 0.754E+00 -0.188E-01 -0.525E-02 +GLU 648 CD 594 GLN 550 CD 40 0.632E+00 0.885E+00 -0.132E-01 +GLU 648 CD 594 GLN 550 OE1 41 0.663E+00 -0.754E+00 -0.105E-01 +GLU 648 CD 594 GLN 550 NE2 42 0.512E+00 -0.186E+01 -0.543E-01 +GLU 648 CD 594 GLN 551 N 46 0.794E+00 -0.331E+00 -0.422E-02 +GLU 648 CD 594 GLN 551 CA 47 0.780E+00 0.326E-01 -0.429E-02 +GLU 648 CD 594 GLN 551 C 48 0.833E+00 0.330E+00 -0.258E-02 +GLU 648 CD 594 GLN 551 O 49 0.795E+00 -0.481E+00 -0.355E-02 +GLU 648 CD 594 GLN 551 CB 50 0.886E+00 -0.227E-01 -0.201E-02 +GLU 648 CD 594 GLN 551 CG 51 0.936E+00 -0.130E-01 -0.145E-02 +GLU 648 CD 594 GLN 551 CD 52 0.853E+00 0.504E+00 -0.223E-02 +GLU 648 CD 594 GLN 551 OE1 53 0.734E+00 -0.619E+00 -0.574E-02 +GLU 648 CD 594 GLN 551 NE2 54 0.925E+00 -0.585E+00 -0.169E-02 +GLU 648 CD 594 GLN 552 N 58 0.939E+00 -0.250E+00 -0.154E-02 +GLU 648 CD 594 GLN 552 CA 59 0.102E+01 0.212E-01 -0.866E-03 +GLU 648 CD 594 GLN 552 C 60 0.959E+00 0.262E+00 -0.110E-02 +GLU 648 CD 594 GLN 552 O 61 0.997E+00 -0.334E+00 -0.918E-03 +GLU 648 CD 594 ASN 553 N 70 0.884E+00 -0.306E+00 -0.222E-02 +GLU 648 CD 594 ASN 553 CA 71 0.835E+00 0.352E-01 -0.286E-02 +GLU 648 CD 594 ASN 553 C 72 0.735E+00 0.606E+00 -0.540E-02 +GLU 648 CD 594 ASN 553 O 73 0.764E+00 -0.480E+00 -0.453E-02 +GLU 648 CD 594 ASN 553 CB 74 0.793E+00 -0.805E-01 -0.389E-02 +GLU 648 CD 594 ASN 553 CG 75 0.811E+00 0.480E+00 -0.301E-02 +GLU 648 CD 594 ASN 553 OD1 76 0.842E+00 -0.406E+00 -0.252E-02 +GLU 648 CD 594 ASN 553 ND2 77 0.826E+00 -0.624E+00 -0.333E-02 +GLU 648 CD 594 ASN 554 N 81 0.647E+00 -0.542E+00 -0.141E-01 +GLU 648 CD 594 ASN 554 CA 82 0.567E+00 0.751E-01 -0.278E-01 +GLU 648 CD 594 ASN 554 C 83 0.679E+00 0.706E+00 -0.866E-02 +GLU 648 CD 594 ASN 554 O 84 0.693E+00 -0.577E+00 -0.808E-02 +GLU 648 CD 594 ASN 554 CB 85 0.486E+00 -0.224E+00 -0.649E-01 +GLU 648 CD 594 ASN 554 CG 86 0.391E+00 0.240E+01 -0.137E+00 +GLU 648 CD 594 ASN 554 OD1 87 0.326E+00 -0.356E+01 -0.105E+00 +GLU 648 CD 594 ASN 554 ND2 88 0.437E+00 -0.242E+01 -0.122E+00 +GLU 648 CD 594 LEU 555 N 92 0.788E+00 -0.307E+00 -0.440E-02 +GLU 648 CD 594 LEU 555 CA 93 0.908E+00 -0.689E-01 -0.173E-02 +GLU 648 CD 594 LEU 555 C 94 0.979E+00 0.348E+00 -0.978E-03 +GLU 648 CD 594 LEU 555 O 95 0.103E+01 -0.317E+00 -0.777E-03 +GLU 648 CD 594 LEU 555 CB 96 0.101E+01 -0.831E-01 -0.899E-03 +GLU 648 CD 594 LEU 555 CG 97 0.997E+00 0.113E+00 -0.990E-03 +GLU 648 CD 594 LEU 555 CD2 99 0.976E+00 -0.750E-01 -0.112E-02 +GLU 648 CD 594 LEU 556 N 101 0.101E+01 -0.206E+00 -0.101E-02 +GLU 648 CD 594 ARG 557 N 110 0.934E+00 -0.196E+00 -0.159E-02 +GLU 648 CD 594 ARG 557 CA 111 0.916E+00 -0.880E-01 -0.164E-02 +GLU 648 CD 594 ARG 557 C 112 0.944E+00 0.468E+00 -0.122E-02 +GLU 648 CD 594 ARG 557 O 113 0.103E+01 -0.327E+00 -0.770E-03 +GLU 648 CD 594 ARG 557 CB 114 0.785E+00 -0.322E-01 -0.413E-02 +GLU 648 CD 594 ARG 557 CG 115 0.818E+00 0.973E-02 -0.323E-02 +GLU 648 CD 594 ARG 557 CD 116 0.727E+00 0.126E+00 -0.650E-02 +GLU 648 CD 594 ARG 557 NE 117 0.606E+00 0.673E+00 -0.209E-01 +GLU 648 CD 594 ARG 557 CZ 118 0.493E+00 0.131E+01 -0.539E-01 +GLU 648 CD 594 ARG 557 NH1 119 0.503E+00 -0.151E+01 -0.603E-01 +GLU 648 CD 594 ARG 557 NH2 120 0.401E+00 -0.264E+01 -0.172E+00 +GLU 648 CD 594 ARG 557 HE 122 0.623E+00 0.163E+00 -0.505E-03 +GLU 648 CD 594 ALA 558 N 127 0.913E+00 -0.274E+00 -0.183E-02 +GLU 648 CD 594 ALA 558 CA 128 0.970E+00 -0.172E-01 -0.117E-02 +GLU 648 CD 594 ALA 558 CB 131 0.938E+00 -0.149E+00 -0.143E-02 +GLU 648 OE1 595 GLY 547 O 15 0.104E+01 0.304E+00 -0.723E-03 +GLU 648 OE1 595 VAL 549 O 29 0.104E+01 0.244E+00 -0.740E-03 +GLU 648 OE1 595 GLN 550 N 34 0.102E+01 0.238E+00 -0.977E-03 +GLU 648 OE1 595 GLN 550 CA 35 0.881E+00 -0.286E-01 -0.218E-02 +GLU 648 OE1 595 GLN 550 C 36 0.800E+00 -0.381E+00 -0.343E-02 +GLU 648 OE1 595 GLN 550 O 37 0.713E+00 0.633E+00 -0.694E-02 +GLU 648 OE1 595 GLN 550 CB 38 0.877E+00 0.249E-01 -0.224E-02 +GLU 648 OE1 595 GLN 550 CG 39 0.841E+00 0.167E-01 -0.287E-02 +GLU 648 OE1 595 GLN 550 CD 40 0.711E+00 -0.753E+00 -0.694E-02 +GLU 648 OE1 595 GLN 550 OE1 41 0.726E+00 0.680E+00 -0.623E-02 +GLU 648 OE1 595 GLN 550 NE2 42 0.600E+00 0.140E+01 -0.230E-01 +GLU 648 OE1 595 GLN 551 N 46 0.854E+00 0.314E+00 -0.283E-02 +GLU 648 OE1 595 GLN 551 CA 47 0.831E+00 -0.315E-01 -0.309E-02 +GLU 648 OE1 595 GLN 551 C 48 0.863E+00 -0.334E+00 -0.218E-02 +GLU 648 OE1 595 GLN 551 O 49 0.811E+00 0.501E+00 -0.322E-02 +GLU 648 OE1 595 GLN 551 CB 50 0.944E+00 0.221E-01 -0.144E-02 +GLU 648 OE1 595 GLN 551 CG 51 0.985E+00 0.130E-01 -0.111E-02 +GLU 648 OE1 595 GLN 551 CD 52 0.901E+00 -0.497E+00 -0.169E-02 +GLU 648 OE1 595 GLN 551 OE1 53 0.779E+00 0.598E+00 -0.410E-02 +GLU 648 OE1 595 GLN 551 NE2 54 0.972E+00 0.583E+00 -0.130E-02 +GLU 648 OE1 595 GLN 552 N 58 0.968E+00 0.258E+00 -0.134E-02 +GLU 648 OE1 595 GLN 552 CA 59 0.103E+01 -0.224E-01 -0.840E-03 +GLU 648 OE1 595 GLN 552 C 60 0.958E+00 -0.283E+00 -0.116E-02 +GLU 648 OE1 595 GLN 552 O 61 0.981E+00 0.368E+00 -0.103E-02 +GLU 648 OE1 595 ASN 553 N 70 0.887E+00 0.328E+00 -0.225E-02 +GLU 648 OE1 595 ASN 553 CA 71 0.824E+00 -0.388E-01 -0.323E-02 +GLU 648 OE1 595 ASN 553 C 72 0.712E+00 -0.694E+00 -0.689E-02 +GLU 648 OE1 595 ASN 553 O 73 0.720E+00 0.576E+00 -0.654E-02 +GLU 648 OE1 595 ASN 553 CB 74 0.792E+00 0.869E-01 -0.411E-02 +GLU 648 OE1 595 ASN 553 CG 75 0.795E+00 -0.537E+00 -0.357E-02 +GLU 648 OE1 595 ASN 553 OD1 76 0.808E+00 0.470E+00 -0.329E-02 +GLU 648 OE1 595 ASN 553 ND2 77 0.815E+00 0.687E+00 -0.373E-02 +GLU 648 OE1 595 ASN 554 N 81 0.636E+00 0.605E+00 -0.164E-01 +GLU 648 OE1 595 ASN 554 CA 82 0.542E+00 -0.896E-01 -0.386E-01 +GLU 648 OE1 595 ASN 554 C 83 0.640E+00 -0.857E+00 -0.129E-01 +GLU 648 OE1 595 ASN 554 O 84 0.634E+00 0.742E+00 -0.140E-01 +GLU 648 OE1 595 ASN 554 CB 85 0.486E+00 0.241E+00 -0.708E-01 +GLU 648 OE1 595 ASN 554 CG 86 0.417E+00 -0.219E+01 -0.137E+00 +GLU 648 OE1 595 ASN 554 OD1 87 0.340E+00 0.342E+01 -0.336E+00 +GLU 648 OE1 595 ASN 554 ND2 88 0.495E+00 0.192E+01 -0.702E-01 +GLU 648 OE1 595 LEU 555 N 92 0.760E+00 0.353E+00 -0.566E-02 +GLU 648 OE1 595 LEU 555 CA 93 0.872E+00 0.792E-01 -0.231E-02 +GLU 648 OE1 595 LEU 555 C 94 0.929E+00 -0.406E+00 -0.140E-02 +GLU 648 OE1 595 LEU 555 O 95 0.964E+00 0.374E+00 -0.114E-02 +GLU 648 OE1 595 LEU 555 CB 96 0.991E+00 0.925E-01 -0.108E-02 +GLU 648 OE1 595 LEU 555 CG 97 0.990E+00 -0.123E+00 -0.108E-02 +GLU 648 OE1 595 LEU 555 CD2 99 0.965E+00 0.822E-01 -0.126E-02 +GLU 648 OE1 595 LEU 556 N 101 0.961E+00 0.239E+00 -0.139E-02 +GLU 648 OE1 595 LEU 556 CA 102 0.104E+01 0.604E-01 -0.803E-03 +GLU 648 OE1 595 LEU 556 C 103 0.984E+00 -0.372E+00 -0.990E-03 +GLU 648 OE1 595 ARG 557 N 110 0.860E+00 0.241E+00 -0.271E-02 +GLU 648 OE1 595 ARG 557 CA 111 0.828E+00 0.112E+00 -0.316E-02 +GLU 648 OE1 595 ARG 557 C 112 0.849E+00 -0.599E+00 -0.241E-02 +GLU 648 OE1 595 ARG 557 O 113 0.924E+00 0.413E+00 -0.147E-02 +GLU 648 OE1 595 ARG 557 CB 114 0.694E+00 0.437E-01 -0.900E-02 +GLU 648 OE1 595 ARG 557 CG 115 0.735E+00 -0.127E-01 -0.643E-02 +GLU 648 OE1 595 ARG 557 CD 116 0.645E+00 -0.172E+00 -0.140E-01 +GLU 648 OE1 595 ARG 557 NE 117 0.538E+00 -0.942E+00 -0.437E-01 +GLU 648 OE1 595 ARG 557 CZ 118 0.424E+00 -0.204E+01 -0.128E+00 +GLU 648 OE1 595 ARG 557 NH1 119 0.415E+00 0.261E+01 -0.177E+00 +GLU 648 OE1 595 ARG 557 NH2 120 0.362E+00 0.373E+01 -0.293E+00 +GLU 648 OE1 595 ARG 557 HE 122 0.570E+00 -0.213E+00 -0.723E-03 +GLU 648 OE1 595 ALA 558 N 127 0.824E+00 0.349E+00 -0.349E-02 +GLU 648 OE1 595 ALA 558 CA 128 0.879E+00 0.217E-01 -0.220E-02 +GLU 648 OE1 595 ALA 558 C 129 0.103E+01 -0.346E+00 -0.758E-03 +GLU 648 OE1 595 ALA 558 CB 131 0.859E+00 0.185E+00 -0.252E-02 +GLU 648 OE2 596 SER 546 O 7 0.104E+01 0.350E+00 -0.742E-03 +GLU 648 OE2 596 GLY 547 CA 13 0.102E+01 0.795E-01 -0.908E-03 +GLU 648 OE2 596 GLY 547 C 14 0.101E+01 -0.363E+00 -0.847E-03 +GLU 648 OE2 596 GLY 547 O 15 0.913E+00 0.370E+00 -0.158E-02 +GLU 648 OE2 596 VAL 549 C 28 0.971E+00 -0.296E+00 -0.108E-02 +GLU 648 OE2 596 VAL 549 O 29 0.943E+00 0.280E+00 -0.130E-02 +GLU 648 OE2 596 GLN 550 N 34 0.891E+00 0.293E+00 -0.219E-02 +GLU 648 OE2 596 GLN 550 CA 35 0.748E+00 -0.380E-01 -0.580E-02 +GLU 648 OE2 596 GLN 550 C 36 0.695E+00 -0.494E+00 -0.795E-02 +GLU 648 OE2 596 GLN 550 O 37 0.629E+00 0.814E+00 -0.147E-01 +GLU 648 OE2 596 GLN 550 CB 38 0.719E+00 0.353E-01 -0.731E-02 +GLU 648 OE2 596 GLN 550 CG 39 0.661E+00 0.261E-01 -0.121E-01 +GLU 648 OE2 596 GLN 550 CD 40 0.534E+00 -0.138E+01 -0.372E-01 +GLU 648 OE2 596 GLN 550 OE1 41 0.561E+00 0.116E+01 -0.287E-01 +GLU 648 OE2 596 GLN 550 NE2 42 0.418E+00 0.331E+01 -0.172E+00 +GLU 648 OE2 596 GLN 551 N 46 0.759E+00 0.386E+00 -0.572E-02 +GLU 648 OE2 596 GLN 551 CA 47 0.768E+00 -0.361E-01 -0.492E-02 +GLU 648 OE2 596 GLN 551 C 48 0.828E+00 -0.358E+00 -0.279E-02 +GLU 648 OE2 596 GLN 551 O 49 0.806E+00 0.506E+00 -0.333E-02 +GLU 648 OE2 596 GLN 551 CB 50 0.880E+00 0.247E-01 -0.219E-02 +GLU 648 OE2 596 GLN 551 CG 51 0.949E+00 0.137E-01 -0.139E-02 +GLU 648 OE2 596 GLN 551 CD 52 0.883E+00 -0.513E+00 -0.190E-02 +GLU 648 OE2 596 GLN 551 OE1 53 0.767E+00 0.614E+00 -0.448E-02 +GLU 648 OE2 596 GLN 551 NE2 54 0.965E+00 0.590E+00 -0.136E-02 +GLU 648 OE2 596 GLN 552 N 58 0.924E+00 0.276E+00 -0.176E-02 +GLU 648 OE2 596 GLN 552 CA 59 0.101E+01 -0.231E-01 -0.964E-03 +GLU 648 OE2 596 GLN 552 C 60 0.949E+00 -0.287E+00 -0.123E-02 +GLU 648 OE2 596 GLN 552 O 61 0.997E+00 0.360E+00 -0.934E-03 +GLU 648 OE2 596 ASN 553 N 70 0.860E+00 0.345E+00 -0.272E-02 +GLU 648 OE2 596 ASN 553 CA 71 0.809E+00 -0.400E-01 -0.361E-02 +GLU 648 OE2 596 ASN 553 C 72 0.728E+00 -0.666E+00 -0.603E-02 +GLU 648 OE2 596 ASN 553 O 73 0.766E+00 0.514E+00 -0.452E-02 +GLU 648 OE2 596 ASN 553 CB 74 0.747E+00 0.967E-01 -0.585E-02 +GLU 648 OE2 596 ASN 553 CG 75 0.762E+00 -0.578E+00 -0.458E-02 +GLU 648 OE2 596 ASN 553 OD1 76 0.807E+00 0.471E+00 -0.332E-02 +GLU 648 OE2 596 ASN 553 ND2 77 0.761E+00 0.777E+00 -0.565E-02 +GLU 648 OE2 596 ASN 554 N 81 0.647E+00 0.585E+00 -0.149E-01 +GLU 648 OE2 596 ASN 554 CA 82 0.592E+00 -0.736E-01 -0.230E-01 +GLU 648 OE2 596 ASN 554 C 83 0.722E+00 -0.676E+00 -0.635E-02 +GLU 648 OE2 596 ASN 554 O 84 0.749E+00 0.535E+00 -0.516E-02 +GLU 648 OE2 596 ASN 554 CB 85 0.518E+00 0.207E+00 -0.496E-01 +GLU 648 OE2 596 ASN 554 CG 86 0.396E+00 -0.251E+01 -0.171E+00 +GLU 648 OE2 596 ASN 554 OD1 87 0.317E+00 0.414E+01 -0.307E+00 +GLU 648 OE2 596 ASN 554 ND2 88 0.422E+00 0.284E+01 -0.163E+00 +GLU 648 OE2 596 LEU 555 N 92 0.825E+00 0.305E+00 -0.347E-02 +GLU 648 OE2 596 LEU 555 CA 93 0.955E+00 0.686E-01 -0.134E-02 +GLU 648 OE2 596 LEU 555 C 94 0.102E+01 -0.351E+00 -0.787E-03 +GLU 648 OE2 596 LEU 555 CG 97 0.104E+01 -0.115E+00 -0.812E-03 +GLU 648 OE2 596 LEU 555 CD2 99 0.103E+01 0.743E-01 -0.834E-03 +GLU 648 OE2 596 LEU 556 N 101 0.104E+01 0.213E+00 -0.879E-03 +GLU 648 OE2 596 ARG 557 N 110 0.965E+00 0.201E+00 -0.136E-02 +GLU 648 OE2 596 ARG 557 CA 111 0.953E+00 0.892E-01 -0.135E-02 +GLU 648 OE2 596 ARG 557 C 112 0.999E+00 -0.463E+00 -0.908E-03 +GLU 648 OE2 596 ARG 557 CB 114 0.816E+00 0.325E-01 -0.343E-02 +GLU 648 OE2 596 ARG 557 CG 115 0.827E+00 -0.103E-01 -0.317E-02 +GLU 648 OE2 596 ARG 557 CD 116 0.725E+00 -0.137E+00 -0.693E-02 +GLU 648 OE2 596 ARG 557 NE 117 0.593E+00 -0.757E+00 -0.246E-01 +GLU 648 OE2 596 ARG 557 CZ 118 0.478E+00 -0.152E+01 -0.694E-01 +GLU 648 OE2 596 ARG 557 NH1 119 0.500E+00 0.164E+01 -0.661E-01 +GLU 648 OE2 596 ARG 557 NH2 120 0.365E+00 0.365E+01 -0.288E+00 +GLU 648 OE2 596 ARG 557 HE 122 0.604E+00 -0.188E+00 -0.514E-03 +GLU 648 OE2 596 ALA 558 N 127 0.977E+00 0.266E+00 -0.127E-02 +GLU 648 OE2 596 ALA 558 CA 128 0.105E+01 0.166E-01 -0.773E-03 +GLU 648 OE2 596 ALA 558 CB 131 0.102E+01 0.141E+00 -0.898E-03 +SER 649 N 598 GLY 547 C 14 0.103E+01 -0.233E+00 -0.906E-03 +SER 649 N 598 GLY 547 O 15 0.911E+00 0.244E+00 -0.192E-02 +SER 649 N 598 GLN 550 N 34 0.105E+01 0.150E+00 -0.981E-03 +SER 649 N 598 GLN 550 CA 35 0.940E+00 -0.169E-01 -0.173E-02 +SER 649 N 598 GLN 550 C 36 0.814E+00 -0.242E+00 -0.364E-02 +SER 649 N 598 GLN 550 O 37 0.767E+00 0.363E+00 -0.538E-02 +SER 649 N 598 GLN 550 CB 38 0.924E+00 0.150E-01 -0.192E-02 +SER 649 N 598 GLN 550 CG 39 0.957E+00 0.888E-02 -0.155E-02 +SER 649 N 598 GLN 550 CD 40 0.888E+00 -0.334E+00 -0.215E-02 +SER 649 N 598 GLN 550 OE1 41 0.957E+00 0.279E+00 -0.143E-02 +SER 649 N 598 GLN 550 NE2 42 0.775E+00 0.557E+00 -0.598E-02 +SER 649 N 598 GLN 551 N 46 0.781E+00 0.241E+00 -0.570E-02 +SER 649 N 598 GLN 551 CA 47 0.689E+00 -0.291E-01 -0.111E-01 +SER 649 N 598 GLN 551 C 48 0.742E+00 -0.286E+00 -0.632E-02 +SER 649 N 598 GLN 551 O 49 0.682E+00 0.453E+00 -0.108E-01 +SER 649 N 598 GLN 551 CB 50 0.723E+00 0.229E-01 -0.830E-02 +SER 649 N 598 GLN 551 CG 51 0.687E+00 0.158E-01 -0.112E-01 +SER 649 N 598 GLN 551 CD 52 0.550E+00 -0.844E+00 -0.364E-01 +SER 649 N 598 GLN 551 OE1 53 0.451E+00 0.127E+01 -0.117E+00 +SER 649 N 598 GLN 551 NE2 54 0.559E+00 0.108E+01 -0.410E-01 +SER 649 N 598 GLN 552 N 58 0.874E+00 0.198E+00 -0.290E-02 +SER 649 N 598 GLN 552 CA 59 0.961E+00 -0.163E-01 -0.152E-02 +SER 649 N 598 GLN 552 C 60 0.953E+00 -0.187E+00 -0.142E-02 +SER 649 N 598 GLN 552 O 61 0.979E+00 0.242E+00 -0.124E-02 +SER 649 N 598 ASN 553 N 70 0.938E+00 0.197E+00 -0.190E-02 +SER 649 N 598 ASN 553 CA 71 0.950E+00 -0.202E-01 -0.163E-02 +SER 649 N 598 ASN 553 C 72 0.837E+00 -0.340E+00 -0.307E-02 +SER 649 N 598 ASN 553 O 73 0.874E+00 0.269E+00 -0.246E-02 +SER 649 N 598 ASN 553 CB 74 0.980E+00 0.403E-01 -0.135E-02 +SER 649 N 598 ASN 554 N 81 0.715E+00 0.315E+00 -0.966E-02 +SER 649 N 598 ASN 554 CA 82 0.603E+00 -0.465E-01 -0.242E-01 +SER 649 N 598 ASN 554 C 83 0.628E+00 -0.584E+00 -0.168E-01 +SER 649 N 598 ASN 554 O 84 0.644E+00 0.472E+00 -0.152E-01 +SER 649 N 598 ASN 554 CB 85 0.471E+00 0.171E+00 -0.956E-01 +SER 649 N 598 ASN 554 CG 86 0.497E+00 -0.935E+00 -0.643E-01 +SER 649 N 598 ASN 554 OD1 87 0.556E+00 0.649E+00 -0.359E-01 +SER 649 N 598 ASN 554 ND2 88 0.513E+00 0.116E+01 -0.669E-01 +SER 649 N 598 LEU 555 N 92 0.686E+00 0.282E+00 -0.124E-01 +SER 649 N 598 LEU 555 CA 93 0.755E+00 0.668E-01 -0.640E-02 +SER 649 N 598 LEU 555 C 94 0.875E+00 -0.293E+00 -0.235E-02 +SER 649 N 598 LEU 555 O 95 0.910E+00 0.268E+00 -0.194E-02 +SER 649 N 598 LEU 555 CB 96 0.823E+00 0.817E-01 -0.383E-02 +SER 649 N 598 LEU 555 CG 97 0.754E+00 -0.127E+00 -0.648E-02 +SER 649 N 598 LEU 555 CD1 98 0.873E+00 0.632E-01 -0.269E-02 +SER 649 N 598 LEU 555 CD2 99 0.673E+00 0.101E+00 -0.127E-01 +SER 649 N 598 LEU 556 N 101 0.958E+00 0.158E+00 -0.169E-02 +SER 649 N 598 ARG 557 N 110 0.989E+00 0.127E+00 -0.139E-02 +SER 649 N 598 ARG 557 CA 111 0.101E+01 0.540E-01 -0.115E-02 +SER 649 N 598 ARG 557 C 112 0.980E+00 -0.313E+00 -0.120E-02 +SER 649 N 598 ARG 557 CB 114 0.936E+00 0.170E-01 -0.178E-02 +SER 649 N 598 ARG 557 CG 115 0.103E+01 -0.477E-02 -0.994E-03 +SER 649 N 598 ARG 557 CD 116 0.101E+01 -0.517E-01 -0.113E-02 +SER 649 N 598 ARG 557 NE 117 0.909E+00 -0.224E+00 -0.231E-02 +SER 649 N 598 ARG 557 CZ 118 0.848E+00 -0.305E+00 -0.284E-02 +SER 649 N 598 ARG 557 NH1 119 0.882E+00 0.346E+00 -0.275E-02 +SER 649 N 598 ARG 557 NH2 120 0.782E+00 0.425E+00 -0.564E-02 +SER 649 N 598 ARG 557 HE 122 0.901E+00 -0.586E-01 -0.636E-04 +SER 649 N 598 ALA 558 N 127 0.887E+00 0.203E+00 -0.267E-02 +SER 649 N 598 ALA 558 CA 128 0.887E+00 0.140E-01 -0.244E-02 +SER 649 N 598 ALA 558 C 129 0.102E+01 -0.229E+00 -0.926E-03 +SER 649 N 598 ALA 558 CB 131 0.784E+00 0.142E+00 -0.513E-02 +SER 649 CA 599 GLY 547 CA 13 0.102E+01 -0.114E-01 -0.999E-03 +SER 649 CA 599 GLY 547 C 14 0.944E+00 0.575E-01 -0.137E-02 +SER 649 CA 599 GLY 547 O 15 0.829E+00 -0.622E-01 -0.312E-02 +SER 649 CA 599 ILE 548 N 17 0.103E+01 -0.391E-01 -0.992E-03 +SER 649 CA 599 ILE 548 CA 18 0.102E+01 -0.894E-02 -0.951E-03 +SER 649 CA 599 ILE 548 C 19 0.103E+01 0.498E-01 -0.836E-03 +SER 649 CA 599 ILE 548 O 20 0.961E+00 -0.597E-01 -0.129E-02 +SER 649 CA 599 VAL 549 C 28 0.104E+01 0.381E-01 -0.749E-03 +SER 649 CA 599 VAL 549 O 29 0.103E+01 -0.352E-01 -0.849E-03 +SER 649 CA 599 GLN 550 N 34 0.990E+00 -0.356E-01 -0.127E-02 +SER 649 CA 599 GLN 550 CA 35 0.897E+00 0.397E-02 -0.210E-02 +SER 649 CA 599 GLN 550 C 36 0.763E+00 0.593E-01 -0.489E-02 +SER 649 CA 599 GLN 550 O 37 0.728E+00 -0.872E-01 -0.678E-02 +SER 649 CA 599 GLN 550 CB 38 0.886E+00 -0.350E-02 -0.226E-02 +SER 649 CA 599 GLN 550 CG 39 0.942E+00 -0.199E-02 -0.157E-02 +SER 649 CA 599 GLN 550 CD 40 0.890E+00 0.726E-01 -0.196E-02 +SER 649 CA 599 GLN 550 OE1 41 0.963E+00 -0.603E-01 -0.128E-02 +SER 649 CA 599 GLN 550 NE2 42 0.788E+00 -0.118E+00 -0.498E-02 +SER 649 CA 599 GLN 551 N 46 0.709E+00 -0.627E-01 -0.929E-02 +SER 649 CA 599 GLN 551 CA 47 0.602E+00 0.838E-02 -0.224E-01 +SER 649 CA 599 GLN 551 C 48 0.655E+00 0.796E-01 -0.121E-01 +SER 649 CA 599 GLN 551 O 49 0.600E+00 -0.129E+00 -0.214E-01 +SER 649 CA 599 GLN 551 CB 50 0.615E+00 -0.692E-02 -0.198E-01 +SER 649 CA 599 GLN 551 CG 51 0.560E+00 -0.530E-02 -0.338E-01 +SER 649 CA 599 GLN 551 CD 52 0.417E+00 0.360E+00 -0.131E+00 +SER 649 CA 599 GLN 551 OE1 53 0.330E+00 -0.634E+00 -0.154E+00 +SER 649 CA 599 GLN 551 NE2 54 0.416E+00 -0.478E+00 -0.170E+00 +SER 649 CA 599 GLN 552 N 58 0.787E+00 -0.518E-01 -0.501E-02 +SER 649 CA 599 GLN 552 CA 59 0.876E+00 0.412E-02 -0.242E-02 +SER 649 CA 599 GLN 552 C 60 0.887E+00 0.458E-01 -0.199E-02 +SER 649 CA 599 GLN 552 O 61 0.918E+00 -0.584E-01 -0.170E-02 +SER 649 CA 599 GLN 552 CB 62 0.102E+01 -0.282E-02 -0.973E-03 +SER 649 CA 599 ASN 553 N 70 0.887E+00 -0.470E-01 -0.245E-02 +SER 649 CA 599 ASN 553 CA 71 0.919E+00 0.465E-02 -0.182E-02 +SER 649 CA 599 ASN 553 C 72 0.816E+00 0.775E-01 -0.327E-02 +SER 649 CA 599 ASN 553 O 73 0.864E+00 -0.597E-01 -0.244E-02 +SER 649 CA 599 ASN 553 CB 74 0.962E+00 -0.904E-02 -0.138E-02 +SER 649 CA 599 ASN 554 N 81 0.690E+00 -0.735E-01 -0.109E-01 +SER 649 CA 599 ASN 554 CA 82 0.593E+00 0.105E-01 -0.244E-01 +SER 649 CA 599 ASN 554 C 83 0.605E+00 0.138E+00 -0.193E-01 +SER 649 CA 599 ASN 554 O 84 0.638E+00 -0.105E+00 -0.149E-01 +SER 649 CA 599 ASN 554 CB 85 0.458E+00 -0.400E-01 -0.995E-01 +SER 649 CA 599 ASN 554 CG 86 0.503E+00 0.197E+00 -0.541E-01 +SER 649 CA 599 ASN 554 OD1 87 0.589E+00 -0.125E+00 -0.237E-01 +SER 649 CA 599 ASN 554 ND2 88 0.501E+00 -0.267E+00 -0.691E-01 +SER 649 CA 599 LEU 555 N 92 0.634E+00 -0.720E-01 -0.180E-01 +SER 649 CA 599 LEU 555 CA 93 0.695E+00 -0.170E-01 -0.958E-02 +SER 649 CA 599 LEU 555 C 94 0.829E+00 0.700E-01 -0.297E-02 +SER 649 CA 599 LEU 555 O 95 0.873E+00 -0.626E-01 -0.230E-02 +SER 649 CA 599 LEU 555 CB 96 0.740E+00 -0.216E-01 -0.663E-02 +SER 649 CA 599 LEU 555 CG 97 0.651E+00 0.369E-01 -0.141E-01 +SER 649 CA 599 LEU 555 CD1 98 0.757E+00 -0.176E-01 -0.577E-02 +SER 649 CA 599 LEU 555 CD2 99 0.570E+00 -0.314E-01 -0.307E-01 +SER 649 CA 599 LEU 556 N 101 0.913E+00 -0.370E-01 -0.206E-02 +SER 649 CA 599 LEU 556 CA 102 0.105E+01 -0.858E-02 -0.834E-03 +SER 649 CA 599 ARG 557 N 110 0.985E+00 -0.279E-01 -0.131E-02 +SER 649 CA 599 ARG 557 CA 111 0.102E+01 -0.115E-01 -0.961E-03 +SER 649 CA 599 ARG 557 C 112 0.999E+00 0.664E-01 -0.979E-03 +SER 649 CA 599 ARG 557 CB 114 0.967E+00 -0.353E-02 -0.134E-02 +SER 649 CA 599 ARG 557 NE 117 0.955E+00 0.452E-01 -0.158E-02 +SER 649 CA 599 ARG 557 CZ 118 0.910E+00 0.593E-01 -0.170E-02 +SER 649 CA 599 ARG 557 NH1 119 0.961E+00 -0.660E-01 -0.151E-02 +SER 649 CA 599 ARG 557 NH2 120 0.842E+00 -0.817E-01 -0.335E-02 +SER 649 CA 599 ARG 557 HE 122 0.933E+00 0.121E-01 -0.507E-04 +SER 649 CA 599 ALA 558 N 127 0.896E+00 -0.435E-01 -0.230E-02 +SER 649 CA 599 ALA 558 CA 128 0.898E+00 -0.300E-02 -0.209E-02 +SER 649 CA 599 ALA 558 C 129 0.102E+01 0.499E-01 -0.841E-03 +SER 649 CA 599 ALA 558 CB 131 0.781E+00 -0.312E-01 -0.480E-02 +SER 649 C 600 GLY 547 CA 13 0.103E+01 -0.457E-01 -0.800E-03 +SER 649 C 600 GLY 547 C 14 0.966E+00 0.227E+00 -0.106E-02 +SER 649 C 600 GLY 547 O 15 0.858E+00 -0.240E+00 -0.225E-02 +SER 649 C 600 ILE 548 N 17 0.105E+01 -0.156E+00 -0.793E-03 +SER 649 C 600 ILE 548 CA 18 0.105E+01 -0.355E-01 -0.744E-03 +SER 649 C 600 ILE 548 O 20 0.101E+01 -0.226E+00 -0.842E-03 +SER 649 C 600 GLN 550 CA 35 0.981E+00 0.141E-01 -0.109E-02 +SER 649 C 600 GLN 550 C 36 0.852E+00 0.200E+00 -0.224E-02 +SER 649 C 600 GLN 550 O 37 0.835E+00 -0.279E+00 -0.266E-02 +SER 649 C 600 GLN 550 CB 38 0.957E+00 -0.127E-01 -0.126E-02 +SER 649 C 600 GLN 550 CG 39 0.102E+01 -0.724E-02 -0.874E-03 +SER 649 C 600 GLN 550 CD 40 0.982E+00 0.255E+00 -0.958E-03 +SER 649 C 600 GLN 550 NE2 42 0.881E+00 -0.399E+00 -0.226E-02 +SER 649 C 600 GLN 551 N 46 0.782E+00 -0.214E+00 -0.461E-02 +SER 649 C 600 GLN 551 CA 47 0.673E+00 0.272E-01 -0.103E-01 +SER 649 C 600 GLN 551 C 48 0.740E+00 0.257E+00 -0.522E-02 +SER 649 C 600 GLN 551 O 49 0.697E+00 -0.388E+00 -0.782E-02 +SER 649 C 600 GLN 551 CB 50 0.653E+00 -0.250E-01 -0.123E-01 +SER 649 C 600 GLN 551 CG 51 0.579E+00 -0.201E-01 -0.248E-01 +SER 649 C 600 GLN 551 CD 52 0.430E+00 0.136E+01 -0.103E+00 +SER 649 C 600 GLN 551 OE1 53 0.380E+00 -0.177E+01 -0.197E+00 +SER 649 C 600 GLN 551 NE2 54 0.386E+00 -0.238E+01 -0.190E+00 +SER 649 C 600 GLN 552 N 58 0.868E+00 -0.179E+00 -0.247E-02 +SER 649 C 600 GLN 552 CA 59 0.965E+00 0.145E-01 -0.121E-02 +SER 649 C 600 GLN 552 C 60 0.994E+00 0.157E+00 -0.895E-03 +SER 649 C 600 GLN 552 O 61 0.103E+01 -0.201E+00 -0.760E-03 +SER 649 C 600 ASN 553 N 70 0.100E+01 -0.160E+00 -0.106E-02 +SER 649 C 600 ASN 553 CA 71 0.105E+01 0.157E-01 -0.745E-03 +SER 649 C 600 ASN 553 C 72 0.951E+00 0.247E+00 -0.116E-02 +SER 649 C 600 ASN 553 O 73 0.100E+01 -0.193E+00 -0.879E-03 +SER 649 C 600 ASN 554 N 81 0.824E+00 -0.217E+00 -0.338E-02 +SER 649 C 600 ASN 554 CA 82 0.735E+00 0.280E-01 -0.613E-02 +SER 649 C 600 ASN 554 C 83 0.741E+00 0.377E+00 -0.517E-02 +SER 649 C 600 ASN 554 O 84 0.776E+00 -0.294E+00 -0.411E-02 +SER 649 C 600 ASN 554 CB 85 0.598E+00 -0.882E-01 -0.205E-01 +SER 649 C 600 ASN 554 CG 86 0.638E+00 0.478E+00 -0.125E-01 +SER 649 C 600 ASN 554 OD1 87 0.728E+00 -0.333E+00 -0.604E-02 +SER 649 C 600 ASN 554 ND2 88 0.617E+00 -0.688E+00 -0.188E-01 +SER 649 C 600 LEU 555 N 92 0.756E+00 -0.209E+00 -0.566E-02 +SER 649 C 600 LEU 555 CA 93 0.805E+00 -0.532E-01 -0.356E-02 +SER 649 C 600 LEU 555 C 94 0.945E+00 0.232E+00 -0.121E-02 +SER 649 C 600 LEU 555 O 95 0.987E+00 -0.211E+00 -0.975E-03 +SER 649 C 600 LEU 555 CB 96 0.830E+00 -0.720E-01 -0.297E-02 +SER 649 C 600 LEU 555 CG 97 0.722E+00 0.123E+00 -0.677E-02 +SER 649 C 600 LEU 555 CD1 98 0.807E+00 -0.644E-01 -0.349E-02 +SER 649 C 600 LEU 555 CD2 99 0.632E+00 -0.103E+00 -0.149E-01 +SER 649 C 600 LEU 556 N 101 0.103E+01 -0.126E+00 -0.875E-03 +SER 649 C 600 ARG 557 NH2 120 0.984E+00 -0.261E+00 -0.116E-02 +SER 649 C 600 ALA 558 N 127 0.103E+01 -0.145E+00 -0.900E-03 +SER 649 C 600 ALA 558 CA 128 0.102E+01 -0.101E-01 -0.869E-03 +SER 649 C 600 ALA 558 CB 131 0.893E+00 -0.102E+00 -0.192E-02 +SER 649 O 601 GLY 547 CA 13 0.950E+00 0.622E-01 -0.138E-02 +SER 649 O 601 GLY 547 C 14 0.882E+00 -0.315E+00 -0.191E-02 +SER 649 O 601 GLY 547 O 15 0.781E+00 0.340E+00 -0.403E-02 +SER 649 O 601 ILE 548 N 17 0.962E+00 0.214E+00 -0.139E-02 +SER 649 O 601 ILE 548 CA 18 0.959E+00 0.485E-01 -0.130E-02 +SER 649 O 601 ILE 548 C 19 0.995E+00 -0.256E+00 -0.927E-03 +SER 649 O 601 ILE 548 O 20 0.946E+00 0.301E+00 -0.128E-02 +SER 649 O 601 GLN 550 N 34 0.102E+01 0.169E+00 -0.990E-03 +SER 649 O 601 GLN 550 CA 35 0.945E+00 -0.180E-01 -0.143E-02 +SER 649 O 601 GLN 550 C 36 0.822E+00 -0.256E+00 -0.293E-02 +SER 649 O 601 GLN 550 O 37 0.821E+00 0.346E+00 -0.299E-02 +SER 649 O 601 GLN 550 CB 38 0.915E+00 0.164E-01 -0.174E-02 +SER 649 O 601 GLN 550 CG 39 0.985E+00 0.913E-02 -0.111E-02 +SER 649 O 601 GLN 550 CD 40 0.968E+00 -0.313E+00 -0.110E-02 +SER 649 O 601 GLN 550 NE2 42 0.875E+00 0.485E+00 -0.244E-02 +SER 649 O 601 GLN 551 N 46 0.737E+00 0.288E+00 -0.683E-02 +SER 649 O 601 GLN 551 CA 47 0.631E+00 -0.373E-01 -0.159E-01 +SER 649 O 601 GLN 551 C 48 0.710E+00 -0.334E+00 -0.697E-02 +SER 649 O 601 GLN 551 O 49 0.685E+00 0.483E+00 -0.883E-02 +SER 649 O 601 GLN 551 CB 50 0.586E+00 0.378E-01 -0.245E-01 +SER 649 O 601 GLN 551 CG 51 0.507E+00 0.327E-01 -0.560E-01 +SER 649 O 601 GLN 551 CD 52 0.365E+00 -0.251E+01 -0.215E+00 +SER 649 O 601 GLN 551 OE1 53 0.342E+00 0.282E+01 -0.332E+00 +SER 649 O 601 GLN 551 NE2 54 0.305E+00 0.545E+01 0.146E+00 +SER 649 O 601 GLN 552 N 58 0.833E+00 0.231E+00 -0.328E-02 +SER 649 O 601 GLN 552 CA 59 0.939E+00 -0.182E-01 -0.149E-02 +SER 649 O 601 GLN 552 C 60 0.985E+00 -0.191E+00 -0.986E-03 +SER 649 O 601 GLN 552 O 61 0.103E+01 0.242E+00 -0.764E-03 +SER 649 O 601 ASN 553 N 70 0.994E+00 0.194E+00 -0.114E-02 +SER 649 O 601 ASN 553 C 72 0.974E+00 -0.286E+00 -0.105E-02 +SER 649 O 601 ASN 553 O 73 0.104E+01 0.221E+00 -0.727E-03 +SER 649 O 601 ASN 554 N 81 0.846E+00 0.250E+00 -0.300E-02 +SER 649 O 601 ASN 554 CA 82 0.775E+00 -0.305E-01 -0.469E-02 +SER 649 O 601 ASN 554 C 83 0.786E+00 -0.407E+00 -0.380E-02 +SER 649 O 601 ASN 554 O 84 0.837E+00 0.310E+00 -0.266E-02 +SER 649 O 601 ASN 554 CB 85 0.635E+00 0.934E-01 -0.152E-01 +SER 649 O 601 ASN 554 CG 86 0.669E+00 -0.524E+00 -0.998E-02 +SER 649 O 601 ASN 554 OD1 87 0.767E+00 0.363E+00 -0.447E-02 +SER 649 O 601 ASN 554 ND2 88 0.625E+00 0.805E+00 -0.182E-01 +SER 649 O 601 LEU 555 N 92 0.785E+00 0.235E+00 -0.467E-02 +SER 649 O 601 LEU 555 CA 93 0.836E+00 0.599E-01 -0.297E-02 +SER 649 O 601 LEU 555 C 94 0.983E+00 -0.263E+00 -0.100E-02 +SER 649 O 601 LEU 555 O 95 0.104E+01 0.237E+00 -0.745E-03 +SER 649 O 601 LEU 555 CB 96 0.842E+00 0.845E-01 -0.286E-02 +SER 649 O 601 LEU 555 CG 97 0.720E+00 -0.149E+00 -0.726E-02 +SER 649 O 601 LEU 555 CD1 98 0.786E+00 0.813E-01 -0.430E-02 +SER 649 O 601 LEU 555 CD2 99 0.644E+00 0.119E+00 -0.141E-01 +SER 649 O 601 ARG 557 NH2 120 0.104E+01 0.291E+00 -0.886E-03 +SER 649 O 601 ALA 558 CB 131 0.972E+00 0.107E+00 -0.121E-02 +SER 649 CB 602 GLY 547 C 14 0.100E+01 0.654E-01 -0.956E-03 +SER 649 CB 602 GLY 547 O 15 0.885E+00 -0.695E-01 -0.212E-02 +SER 649 CB 602 ILE 548 C 19 0.104E+01 0.608E-01 -0.770E-03 +SER 649 CB 602 ILE 548 O 20 0.961E+00 -0.744E-01 -0.129E-02 +SER 649 CB 602 VAL 549 O 29 0.103E+01 -0.438E-01 -0.850E-03 +SER 649 CB 602 GLN 550 N 34 0.102E+01 -0.425E-01 -0.106E-02 +SER 649 CB 602 GLN 550 CA 35 0.935E+00 0.463E-02 -0.163E-02 +SER 649 CB 602 GLN 550 C 36 0.790E+00 0.693E-01 -0.396E-02 +SER 649 CB 602 GLN 550 O 37 0.744E+00 -0.104E+00 -0.598E-02 +SER 649 CB 602 GLN 550 CB 38 0.947E+00 -0.392E-02 -0.152E-02 +SER 649 CB 602 GLN 550 CG 39 0.101E+01 -0.221E-02 -0.101E-02 +SER 649 CB 602 GLN 550 CD 40 0.957E+00 0.807E-01 -0.127E-02 +SER 649 CB 602 GLN 550 OE1 41 0.102E+01 -0.692E-01 -0.915E-03 +SER 649 CB 602 GLN 550 NE2 42 0.864E+00 -0.125E+00 -0.287E-02 +SER 649 CB 602 GLN 551 N 46 0.736E+00 -0.729E-01 -0.747E-02 +SER 649 CB 602 GLN 551 CA 47 0.612E+00 0.101E-01 -0.203E-01 +SER 649 CB 602 GLN 551 C 48 0.631E+00 0.107E+00 -0.151E-01 +SER 649 CB 602 GLN 551 O 49 0.554E+00 -0.191E+00 -0.341E-01 +SER 649 CB 602 GLN 551 CB 50 0.630E+00 -0.819E-02 -0.171E-01 +SER 649 CB 602 GLN 551 CG 51 0.556E+00 -0.671E-02 -0.352E-01 +SER 649 CB 602 GLN 551 CD 52 0.418E+00 0.446E+00 -0.130E+00 +SER 649 CB 602 GLN 551 OE1 53 0.338E+00 -0.737E+00 -0.209E+00 +SER 649 CB 602 GLN 551 NE2 54 0.417E+00 -0.591E+00 -0.169E+00 +SER 649 CB 602 GLN 552 N 58 0.759E+00 -0.689E-01 -0.622E-02 +SER 649 CB 602 GLN 552 CA 59 0.827E+00 0.565E-02 -0.341E-02 +SER 649 CB 602 GLN 552 C 60 0.832E+00 0.634E-01 -0.292E-02 +SER 649 CB 602 GLN 552 O 61 0.845E+00 -0.832E-01 -0.278E-02 +SER 649 CB 602 GLN 552 CB 62 0.976E+00 -0.375E-02 -0.127E-02 +SER 649 CB 602 GLN 552 CG 63 0.100E+01 -0.224E-02 -0.107E-02 +SER 649 CB 602 ASN 553 N 70 0.850E+00 -0.628E-01 -0.317E-02 +SER 649 CB 602 ASN 553 CA 71 0.881E+00 0.619E-02 -0.234E-02 +SER 649 CB 602 ASN 553 C 72 0.770E+00 0.107E+00 -0.462E-02 +SER 649 CB 602 ASN 553 O 73 0.806E+00 -0.838E-01 -0.371E-02 +SER 649 CB 602 ASN 553 CB 74 0.945E+00 -0.116E-01 -0.154E-02 +SER 649 CB 602 ASN 553 CG 75 0.103E+01 0.630E-01 -0.800E-03 +SER 649 CB 602 ASN 553 OD1 76 0.105E+01 -0.558E-01 -0.779E-03 +SER 649 CB 602 ASN 554 N 81 0.653E+00 -0.102E+00 -0.151E-01 +SER 649 CB 602 ASN 554 CA 82 0.547E+00 0.157E-01 -0.387E-01 +SER 649 CB 602 ASN 554 C 83 0.522E+00 0.238E+00 -0.442E-01 +SER 649 CB 602 ASN 554 O 84 0.544E+00 -0.184E+00 -0.375E-01 +SER 649 CB 602 ASN 554 CB 85 0.437E+00 -0.560E-01 -0.123E+00 +SER 649 CB 602 ASN 554 CG 86 0.524E+00 0.224E+00 -0.435E-01 +SER 649 CB 602 ASN 554 OD1 87 0.613E+00 -0.143E+00 -0.188E-01 +SER 649 CB 602 ASN 554 ND2 88 0.547E+00 -0.272E+00 -0.424E-01 +SER 649 CB 602 LEU 555 N 92 0.541E+00 -0.126E+00 -0.450E-01 +SER 649 CB 602 LEU 555 CA 93 0.580E+00 -0.309E-01 -0.277E-01 +SER 649 CB 602 LEU 555 C 94 0.713E+00 0.115E+00 -0.733E-02 +SER 649 CB 602 LEU 555 O 95 0.747E+00 -0.102E+00 -0.582E-02 +SER 649 CB 602 LEU 555 CB 96 0.626E+00 -0.373E-01 -0.177E-01 +SER 649 CB 602 LEU 555 CG 97 0.545E+00 0.673E-01 -0.394E-01 +SER 649 CB 602 LEU 555 CD1 98 0.659E+00 -0.287E-01 -0.131E-01 +SER 649 CB 602 LEU 555 CD2 99 0.446E+00 -0.696E-01 -0.112E+00 +SER 649 CB 602 LEU 556 N 101 0.808E+00 -0.565E-01 -0.427E-02 +SER 649 CB 602 LEU 556 CA 102 0.942E+00 -0.125E-01 -0.157E-02 +SER 649 CB 602 LEU 556 C 103 0.953E+00 0.697E-01 -0.130E-02 +SER 649 CB 602 LEU 556 O 104 0.103E+01 -0.601E-01 -0.832E-03 +SER 649 CB 602 LEU 556 CB 105 0.103E+01 -0.155E-01 -0.903E-03 +SER 649 CB 602 ARG 557 N 110 0.892E+00 -0.406E-01 -0.238E-02 +SER 649 CB 602 ARG 557 CA 111 0.933E+00 -0.164E-01 -0.166E-02 +SER 649 CB 602 ARG 557 C 112 0.898E+00 0.974E-01 -0.185E-02 +SER 649 CB 602 ARG 557 O 113 0.991E+00 -0.662E-01 -0.107E-02 +SER 649 CB 602 ARG 557 CB 114 0.897E+00 -0.494E-02 -0.210E-02 +SER 649 CB 602 ARG 557 CG 115 0.101E+01 0.134E-02 -0.106E-02 +SER 649 CB 602 ARG 557 CD 116 0.102E+01 0.138E-01 -0.977E-03 +SER 649 CB 602 ARG 557 NE 117 0.932E+00 0.584E-01 -0.182E-02 +SER 649 CB 602 ARG 557 CZ 118 0.906E+00 0.744E-01 -0.176E-02 +SER 649 CB 602 ARG 557 NH1 119 0.959E+00 -0.825E-01 -0.153E-02 +SER 649 CB 602 ARG 557 NH2 120 0.856E+00 -0.990E-01 -0.304E-02 +SER 649 CB 602 ARG 557 HE 122 0.910E+00 0.157E-01 -0.589E-04 +SER 649 CB 602 ALA 558 N 127 0.786E+00 -0.677E-01 -0.504E-02 +SER 649 CB 602 ALA 558 CA 128 0.778E+00 -0.477E-02 -0.493E-02 +SER 649 CB 602 ALA 558 C 129 0.896E+00 0.763E-01 -0.187E-02 +SER 649 CB 602 ALA 558 O 130 0.974E+00 -0.652E-01 -0.119E-02 +SER 649 CB 602 ALA 558 CB 131 0.652E+00 -0.549E-01 -0.140E-01 +SER 649 CB 602 ILE 559 N 133 0.934E+00 -0.565E-01 -0.180E-02 +SER 649 CB 602 ILE 559 CG1 138 0.101E+01 0.245E-02 -0.103E-02 +SER 649 CB 602 ILE 559 CD1 140 0.104E+01 -0.107E-01 -0.844E-03 +SER 649 OG 603 GLY 547 C 14 0.100E+01 -0.285E+00 -0.986E-03 +SER 649 OG 603 GLY 547 O 15 0.881E+00 0.305E+00 -0.219E-02 +SER 649 OG 603 ILE 548 CA 18 0.104E+01 0.472E-01 -0.873E-03 +SER 649 OG 603 ILE 548 C 19 0.101E+01 -0.275E+00 -0.927E-03 +SER 649 OG 603 ILE 548 O 20 0.926E+00 0.343E+00 -0.162E-02 +SER 649 OG 603 VAL 549 C 28 0.995E+00 -0.222E+00 -0.103E-02 +SER 649 OG 603 VAL 549 O 29 0.954E+00 0.214E+00 -0.135E-02 +SER 649 OG 603 GLN 550 N 34 0.967E+00 0.200E+00 -0.149E-02 +SER 649 OG 603 GLN 550 CA 35 0.877E+00 -0.223E-01 -0.246E-02 +SER 649 OG 603 GLN 550 C 36 0.730E+00 -0.349E+00 -0.655E-02 +SER 649 OG 603 GLN 550 O 37 0.665E+00 0.563E+00 -0.117E-01 +SER 649 OG 603 GLN 550 CB 38 0.906E+00 0.183E-01 -0.203E-02 +SER 649 OG 603 GLN 550 CG 39 0.970E+00 0.103E-01 -0.135E-02 +SER 649 OG 603 GLN 550 CD 40 0.899E+00 -0.388E+00 -0.189E-02 +SER 649 OG 603 GLN 550 OE1 41 0.945E+00 0.336E+00 -0.143E-02 +SER 649 OG 603 GLN 550 NE2 42 0.811E+00 0.607E+00 -0.425E-02 +SER 649 OG 603 GLN 551 N 46 0.694E+00 0.355E+00 -0.108E-01 +SER 649 OG 603 GLN 551 CA 47 0.575E+00 -0.502E-01 -0.303E-01 +SER 649 OG 603 GLN 551 C 48 0.570E+00 -0.579E+00 -0.281E-01 +SER 649 OG 603 GLN 551 O 49 0.478E+00 0.117E+01 -0.805E-01 +SER 649 OG 603 GLN 551 CB 50 0.624E+00 0.363E-01 -0.186E-01 +SER 649 OG 603 GLN 551 CG 51 0.571E+00 0.275E-01 -0.313E-01 +SER 649 OG 603 GLN 551 CD 52 0.455E+00 -0.157E+01 -0.985E-01 +SER 649 OG 603 GLN 551 OE1 53 0.357E+00 0.276E+01 -0.314E+00 +SER 649 OG 603 GLN 551 NE2 54 0.489E+00 0.173E+01 -0.822E-01 +SER 649 OG 603 GLN 552 N 58 0.695E+00 0.354E+00 -0.107E-01 +SER 649 OG 603 GLN 552 CA 59 0.750E+00 -0.293E-01 -0.629E-02 +SER 649 OG 603 GLN 552 C 60 0.733E+00 -0.346E+00 -0.637E-02 +SER 649 OG 603 GLN 552 O 61 0.738E+00 0.461E+00 -0.629E-02 +SER 649 OG 603 GLN 552 CB 62 0.902E+00 0.184E-01 -0.208E-02 +SER 649 OG 603 GLN 552 CG 63 0.947E+00 0.107E-01 -0.155E-02 +SER 649 OG 603 ASN 553 N 70 0.747E+00 0.343E+00 -0.699E-02 +SER 649 OG 603 ASN 553 CA 71 0.764E+00 -0.345E-01 -0.564E-02 +SER 649 OG 603 ASN 553 C 72 0.644E+00 -0.657E+00 -0.137E-01 +SER 649 OG 603 ASN 553 O 73 0.671E+00 0.514E+00 -0.111E-01 +SER 649 OG 603 ASN 553 CB 74 0.832E+00 0.620E-01 -0.339E-02 +SER 649 OG 603 ASN 553 CG 75 0.911E+00 -0.332E+00 -0.175E-02 +SER 649 OG 603 ASN 553 OD1 76 0.915E+00 0.297E+00 -0.174E-02 +SER 649 OG 603 ASN 553 ND2 77 0.100E+01 0.384E+00 -0.120E-02 +SER 649 OG 603 ASN 554 N 81 0.533E+00 0.691E+00 -0.509E-01 +SER 649 OG 603 ASN 554 CA 82 0.416E+00 -0.132E+00 -0.169E+00 +SER 649 OG 603 ASN 554 C 83 0.387E+00 -0.220E+01 -0.197E+00 +SER 649 OG 603 ASN 554 O 84 0.405E+00 0.165E+01 -0.192E+00 +SER 649 OG 603 ASN 554 CB 85 0.323E+00 0.543E+00 -0.166E-02 +SER 649 OG 603 ASN 554 CG 86 0.432E+00 -0.156E+01 -0.127E+00 +SER 649 OG 603 ASN 554 OD1 87 0.514E+00 0.921E+00 -0.532E-01 +SER 649 OG 603 ASN 554 ND2 88 0.483E+00 0.159E+01 -0.888E-01 +SER 649 OG 603 LEU 555 N 92 0.421E+00 0.101E+01 -0.179E+00 +SER 649 OG 603 LEU 555 CA 93 0.472E+00 0.216E+00 -0.914E-01 +SER 649 OG 603 LEU 555 C 94 0.596E+00 -0.718E+00 -0.217E-01 +SER 649 OG 603 LEU 555 O 95 0.632E+00 0.617E+00 -0.158E-01 +SER 649 OG 603 LEU 555 CB 96 0.543E+00 0.222E+00 -0.420E-01 +SER 649 OG 603 LEU 555 CG 97 0.490E+00 -0.376E+00 -0.746E-01 +SER 649 OG 603 LEU 555 CD1 98 0.625E+00 0.140E+00 -0.186E-01 +SER 649 OG 603 LEU 555 CD2 99 0.409E+00 0.377E+00 -0.182E+00 +SER 649 OG 603 LEU 556 N 101 0.687E+00 0.332E+00 -0.115E-01 +SER 649 OG 603 LEU 556 CA 102 0.816E+00 0.688E-01 -0.379E-02 +SER 649 OG 603 LEU 556 C 103 0.820E+00 -0.387E+00 -0.327E-02 +SER 649 OG 603 LEU 556 O 104 0.904E+00 0.321E+00 -0.187E-02 +SER 649 OG 603 LEU 556 CB 105 0.906E+00 0.824E-01 -0.202E-02 +SER 649 OG 603 ARG 557 N 110 0.753E+00 0.236E+00 -0.662E-02 +SER 649 OG 603 ARG 557 CA 111 0.794E+00 0.937E-01 -0.448E-02 +SER 649 OG 603 ARG 557 C 112 0.765E+00 -0.558E+00 -0.496E-02 +SER 649 OG 603 ARG 557 O 113 0.862E+00 0.359E+00 -0.248E-02 +SER 649 OG 603 ARG 557 CB 114 0.756E+00 0.289E-01 -0.599E-02 +SER 649 OG 603 ARG 557 CG 115 0.865E+00 -0.741E-02 -0.268E-02 +SER 649 OG 603 ARG 557 CD 116 0.883E+00 -0.752E-01 -0.237E-02 +SER 649 OG 603 ARG 557 NE 117 0.801E+00 -0.327E+00 -0.460E-02 +SER 649 OG 603 ARG 557 CZ 118 0.783E+00 -0.414E+00 -0.430E-02 +SER 649 OG 603 ARG 557 NH1 119 0.841E+00 0.444E+00 -0.344E-02 +SER 649 OG 603 ARG 557 NH2 120 0.743E+00 0.552E+00 -0.718E-02 +SER 649 OG 603 ARG 557 HE 122 0.778E+00 -0.888E-01 -0.131E-03 +SER 649 OG 603 ALA 558 N 127 0.658E+00 0.413E+00 -0.149E-01 +SER 649 OG 603 ALA 558 CA 128 0.664E+00 0.281E-01 -0.130E-01 +SER 649 OG 603 ALA 558 C 129 0.789E+00 -0.412E+00 -0.412E-02 +SER 649 OG 603 ALA 558 O 130 0.874E+00 0.337E+00 -0.228E-02 +SER 649 OG 603 ALA 558 CB 131 0.549E+00 0.346E+00 -0.395E-01 +SER 649 OG 603 ILE 559 N 133 0.825E+00 0.301E+00 -0.385E-02 +SER 649 OG 603 ILE 559 CA 134 0.960E+00 0.534E-01 -0.143E-02 +SER 649 OG 603 ILE 559 CB 137 0.993E+00 -0.308E-01 -0.117E-02 +SER 649 OG 603 ILE 559 CG1 138 0.919E+00 -0.123E-01 -0.186E-02 +SER 649 OG 603 ILE 559 CD1 140 0.957E+00 0.531E-01 -0.146E-02 +SER 649 OG 603 ALA 561 CB 156 0.104E+01 0.108E+00 -0.912E-03 +SER 649 OG 603 GLN 562 CD 164 0.103E+01 -0.316E+00 -0.852E-03 +SER 649 OG 603 GLN 562 OE1 165 0.102E+01 0.300E+00 -0.902E-03 +SER 649 OG 603 GLN 562 NE2 166 0.102E+01 0.420E+00 -0.106E-02 +SER 649 HG 605 GLY 547 CA 13 0.101E+01 -0.438E-01 0.000E+00 +SER 649 HG 605 GLY 547 C 14 0.913E+00 0.229E+00 0.000E+00 +SER 649 HG 605 GLY 547 O 15 0.791E+00 -0.255E+00 0.000E+00 +SER 649 HG 605 ILE 548 N 17 0.986E+00 -0.158E+00 0.000E+00 +SER 649 HG 605 ILE 548 CA 18 0.953E+00 -0.376E-01 0.000E+00 +SER 649 HG 605 ILE 548 C 19 0.918E+00 0.222E+00 0.000E+00 +SER 649 HG 605 ILE 548 O 20 0.833E+00 -0.284E+00 0.000E+00 +SER 649 HG 605 VAL 549 N 26 0.101E+01 -0.153E+00 0.000E+00 +SER 649 HG 605 VAL 549 CA 27 0.101E+01 -0.176E-01 0.000E+00 +SER 649 HG 605 VAL 549 C 28 0.899E+00 0.181E+00 0.000E+00 +SER 649 HG 605 VAL 549 O 29 0.860E+00 -0.176E+00 0.000E+00 +SER 649 HG 605 GLN 550 N 34 0.871E+00 -0.164E+00 0.000E+00 +SER 649 HG 605 GLN 550 CA 35 0.784E+00 0.188E-01 0.000E+00 +SER 649 HG 605 GLN 550 C 36 0.636E+00 0.320E+00 0.000E+00 +SER 649 HG 605 GLN 550 O 37 0.574E+00 -0.536E+00 0.000E+00 +SER 649 HG 605 GLN 550 CB 38 0.817E+00 -0.152E-01 0.000E+00 +SER 649 HG 605 GLN 550 CG 39 0.886E+00 -0.827E-02 0.000E+00 +SER 649 HG 605 GLN 550 CD 40 0.819E+00 0.315E+00 0.000E+00 +SER 649 HG 605 GLN 550 OE1 41 0.867E+00 -0.269E+00 0.000E+00 +SER 649 HG 605 GLN 550 NE2 42 0.739E+00 -0.501E+00 0.000E+00 +SER 649 HG 605 GLN 551 N 46 0.598E+00 -0.335E+00 0.000E+00 +SER 649 HG 605 GLN 551 CA 47 0.480E+00 0.531E-01 0.000E+00 +SER 649 HG 605 GLN 551 C 48 0.477E+00 0.609E+00 0.000E+00 +SER 649 HG 605 GLN 551 O 49 0.389E+00 -0.137E+01 0.000E+00 +SER 649 HG 605 GLN 551 CB 50 0.537E+00 -0.352E-01 0.000E+00 +SER 649 HG 605 GLN 551 CG 51 0.496E+00 -0.264E-01 0.000E+00 +SER 649 HG 605 GLN 551 CD 52 0.391E+00 0.160E+01 0.000E+00 +SER 649 HG 605 GLN 551 OE1 53 0.287E+00 -0.356E+01 0.000E+00 +SER 649 HG 605 GLN 551 NE2 54 0.449E+00 -0.149E+01 0.000E+00 +SER 649 HG 605 GLN 552 N 58 0.604E+00 -0.329E+00 0.000E+00 +SER 649 HG 605 GLN 552 CA 59 0.665E+00 0.257E-01 0.000E+00 +SER 649 HG 605 GLN 552 C 60 0.654E+00 0.302E+00 0.000E+00 +SER 649 HG 605 GLN 552 O 61 0.669E+00 -0.388E+00 0.000E+00 +SER 649 HG 605 GLN 552 CB 62 0.817E+00 -0.152E-01 0.000E+00 +SER 649 HG 605 GLN 552 CG 63 0.865E+00 -0.859E-02 0.000E+00 +SER 649 HG 605 GLN 552 CD 64 0.101E+01 0.224E+00 0.000E+00 +SER 649 HG 605 ASN 553 N 70 0.663E+00 -0.301E+00 0.000E+00 +SER 649 HG 605 ASN 553 CA 71 0.688E+00 0.293E-01 0.000E+00 +SER 649 HG 605 ASN 553 C 72 0.577E+00 0.577E+00 0.000E+00 +SER 649 HG 605 ASN 553 O 73 0.618E+00 -0.424E+00 0.000E+00 +SER 649 HG 605 ASN 553 CB 74 0.754E+00 -0.514E-01 0.000E+00 +SER 649 HG 605 ASN 553 CG 75 0.842E+00 0.263E+00 0.000E+00 +SER 649 HG 605 ASN 553 OD1 76 0.855E+00 -0.231E+00 0.000E+00 +SER 649 HG 605 ASN 553 ND2 77 0.933E+00 -0.298E+00 0.000E+00 +SER 649 HG 605 ASN 554 N 81 0.460E+00 -0.684E+00 0.000E+00 +SER 649 HG 605 ASN 554 CA 82 0.358E+00 0.137E+00 0.000E+00 +SER 649 HG 605 ASN 554 C 83 0.347E+00 0.205E+01 0.000E+00 +SER 649 HG 605 ASN 554 O 84 0.393E+00 -0.124E+01 0.000E+00 +SER 649 HG 605 ASN 554 CB 85 0.253E+00 -0.769E+00 0.000E+00 +SER 649 HG 605 ASN 554 CG 86 0.363E+00 0.171E+01 0.000E+00 +SER 649 HG 605 ASN 554 OD1 87 0.459E+00 -0.841E+00 0.000E+00 +SER 649 HG 605 ASN 554 ND2 88 0.404E+00 -0.172E+01 0.000E+00 +SER 649 HG 605 LEU 555 N 92 0.372E+00 -0.975E+00 0.000E+00 +SER 649 HG 605 LEU 555 CA 93 0.443E+00 -0.176E+00 0.000E+00 +SER 649 HG 605 LEU 555 C 94 0.574E+00 0.543E+00 0.000E+00 +SER 649 HG 605 LEU 555 O 95 0.628E+00 -0.436E+00 0.000E+00 +SER 649 HG 605 LEU 555 CB 96 0.505E+00 -0.183E+00 0.000E+00 +SER 649 HG 605 LEU 555 CG 97 0.446E+00 0.329E+00 0.000E+00 +SER 649 HG 605 LEU 555 CD1 98 0.579E+00 -0.114E+00 0.000E+00 +SER 649 HG 605 LEU 555 CD2 99 0.392E+00 -0.294E+00 0.000E+00 +SER 649 HG 605 LEU 556 N 101 0.651E+00 -0.258E+00 0.000E+00 +SER 649 HG 605 LEU 556 CA 102 0.785E+00 -0.513E-01 0.000E+00 +SER 649 HG 605 LEU 556 C 103 0.800E+00 0.282E+00 0.000E+00 +SER 649 HG 605 LEU 556 O 104 0.893E+00 -0.228E+00 0.000E+00 +SER 649 HG 605 LEU 556 CB 105 0.862E+00 -0.623E-01 0.000E+00 +SER 649 HG 605 LEU 556 CG 106 0.101E+01 0.649E-01 0.000E+00 +SER 649 HG 605 ARG 557 N 110 0.733E+00 -0.173E+00 0.000E+00 +SER 649 HG 605 ARG 557 CA 111 0.785E+00 -0.665E-01 0.000E+00 +SER 649 HG 605 ARG 557 C 112 0.774E+00 0.380E+00 0.000E+00 +SER 649 HG 605 ARG 557 O 113 0.879E+00 -0.242E+00 0.000E+00 +SER 649 HG 605 ARG 557 CB 114 0.744E+00 -0.207E-01 0.000E+00 +SER 649 HG 605 ARG 557 CG 115 0.841E+00 0.541E-02 0.000E+00 +SER 649 HG 605 ARG 557 CD 116 0.858E+00 0.550E-01 0.000E+00 +SER 649 HG 605 ARG 557 NE 117 0.767E+00 0.246E+00 0.000E+00 +SER 649 HG 605 ARG 557 CZ 118 0.754E+00 0.309E+00 0.000E+00 +SER 649 HG 605 ARG 557 NH1 119 0.825E+00 -0.320E+00 0.000E+00 +SER 649 HG 605 ARG 557 NH2 120 0.705E+00 -0.425E+00 0.000E+00 +SER 649 HG 605 ARG 557 HE 122 0.734E+00 0.689E-01 0.000E+00 +SER 649 HG 605 ALA 558 N 127 0.673E+00 -0.275E+00 0.000E+00 +SER 649 HG 605 ALA 558 CA 128 0.698E+00 -0.177E-01 0.000E+00 +SER 649 HG 605 ALA 558 C 129 0.822E+00 0.267E+00 0.000E+00 +SER 649 HG 605 ALA 558 O 130 0.916E+00 -0.218E+00 0.000E+00 +SER 649 HG 605 ALA 558 CB 131 0.590E+00 -0.205E+00 0.000E+00 +SER 649 HG 605 ILE 559 N 133 0.846E+00 -0.201E+00 0.000E+00 +SER 649 HG 605 ILE 559 CA 134 0.980E+00 -0.360E-01 0.000E+00 +SER 649 HG 605 ILE 559 CB 137 0.100E+01 0.213E-01 0.000E+00 +SER 649 HG 605 ILE 559 CG1 138 0.926E+00 0.848E-02 0.000E+00 +SER 649 HG 605 ILE 559 CD1 140 0.950E+00 -0.374E-01 0.000E+00 +GLN 650 N 606 GLY 547 O 15 0.987E+00 0.154E+00 -0.119E-02 +GLN 650 N 606 GLN 550 C 36 0.980E+00 -0.128E+00 -0.119E-02 +GLN 650 N 606 GLN 550 O 37 0.958E+00 0.179E+00 -0.142E-02 +GLN 650 N 606 GLN 550 NE2 42 0.986E+00 0.268E+00 -0.141E-02 +GLN 650 N 606 GLN 551 N 46 0.913E+00 0.132E+00 -0.224E-02 +GLN 650 N 606 GLN 551 CA 47 0.805E+00 -0.156E-01 -0.437E-02 +GLN 650 N 606 GLN 551 C 48 0.867E+00 -0.156E+00 -0.249E-02 +GLN 650 N 606 GLN 551 O 49 0.817E+00 0.232E+00 -0.368E-02 +GLN 650 N 606 GLN 551 CB 50 0.785E+00 0.141E-01 -0.510E-02 +GLN 650 N 606 GLN 551 CG 51 0.705E+00 0.108E-01 -0.965E-02 +GLN 650 N 606 GLN 551 CD 52 0.555E+00 -0.591E+00 -0.345E-01 +GLN 650 N 606 GLN 551 OE1 53 0.509E+00 0.678E+00 -0.598E-01 +GLN 650 N 606 GLN 551 NE2 54 0.497E+00 0.101E+01 -0.796E-01 +GLN 650 N 606 GLN 552 N 58 0.996E+00 0.116E+00 -0.133E-02 +GLN 650 N 606 ASN 554 N 81 0.930E+00 0.143E+00 -0.200E-02 +GLN 650 N 606 ASN 554 CA 82 0.830E+00 -0.180E-01 -0.366E-02 +GLN 650 N 606 ASN 554 C 83 0.827E+00 -0.248E+00 -0.330E-02 +GLN 650 N 606 ASN 554 O 84 0.846E+00 0.203E+00 -0.299E-02 +GLN 650 N 606 ASN 554 CB 85 0.698E+00 0.515E-01 -0.102E-01 +GLN 650 N 606 ASN 554 CG 86 0.740E+00 -0.287E+00 -0.641E-02 +GLN 650 N 606 ASN 554 OD1 87 0.819E+00 0.216E+00 -0.364E-02 +GLN 650 N 606 ASN 554 ND2 88 0.729E+00 0.395E+00 -0.861E-02 +GLN 650 N 606 LEU 555 N 92 0.849E+00 0.137E+00 -0.346E-02 +GLN 650 N 606 LEU 555 CA 93 0.888E+00 0.361E-01 -0.244E-02 +GLN 650 N 606 LEU 555 C 94 0.102E+01 -0.165E+00 -0.927E-03 +GLN 650 N 606 LEU 555 CB 96 0.920E+00 0.487E-01 -0.197E-02 +GLN 650 N 606 LEU 555 CG 97 0.818E+00 -0.788E-01 -0.399E-02 +GLN 650 N 606 LEU 555 CD1 98 0.904E+00 0.427E-01 -0.219E-02 +GLN 650 N 606 LEU 555 CD2 99 0.711E+00 0.651E-01 -0.914E-02 +GLN 650 N 606 ALA 558 CA 128 0.105E+01 0.776E-02 -0.893E-03 +GLN 650 N 606 ALA 558 CB 131 0.922E+00 0.775E-01 -0.195E-02 +GLN 650 CA 607 GLN 551 N 46 0.102E+01 -0.108E-01 -0.109E-02 +GLN 650 CA 607 GLN 551 CA 47 0.910E+00 0.122E-02 -0.193E-02 +GLN 650 CA 607 GLN 551 C 48 0.980E+00 0.123E-01 -0.110E-02 +GLN 650 CA 607 GLN 551 O 49 0.938E+00 -0.177E-01 -0.149E-02 +GLN 650 CA 607 GLN 551 CB 50 0.870E+00 -0.113E-02 -0.252E-02 +GLN 650 CA 607 GLN 551 CG 51 0.782E+00 -0.848E-03 -0.476E-02 +GLN 650 CA 607 GLN 551 CD 52 0.638E+00 0.420E-01 -0.142E-01 +GLN 650 CA 607 GLN 551 OE1 53 0.613E+00 -0.429E-01 -0.188E-01 +GLN 650 CA 607 GLN 551 NE2 54 0.556E+00 -0.744E-01 -0.385E-01 +GLN 650 CA 607 ASN 554 CA 82 0.973E+00 0.133E-02 -0.129E-02 +GLN 650 CA 607 ASN 554 C 83 0.969E+00 0.184E-01 -0.118E-02 +GLN 650 CA 607 ASN 554 O 84 0.989E+00 -0.152E-01 -0.109E-02 +GLN 650 CA 607 ASN 554 CB 85 0.840E+00 -0.353E-02 -0.312E-02 +GLN 650 CA 607 ASN 554 CG 86 0.877E+00 0.204E-01 -0.214E-02 +GLN 650 CA 607 ASN 554 OD1 87 0.957E+00 -0.160E-01 -0.133E-02 +GLN 650 CA 607 ASN 554 ND2 88 0.855E+00 -0.284E-01 -0.305E-02 +GLN 650 CA 607 LEU 555 N 92 0.984E+00 -0.104E-01 -0.132E-02 +GLN 650 CA 607 LEU 555 CA 93 0.102E+01 -0.281E-02 -0.999E-03 +GLN 650 CA 607 LEU 555 CB 96 0.104E+01 -0.389E-02 -0.887E-03 +GLN 650 CA 607 LEU 555 CG 97 0.925E+00 0.615E-02 -0.175E-02 +GLN 650 CA 607 LEU 555 CD1 98 0.996E+00 -0.352E-02 -0.112E-02 +GLN 650 CA 607 LEU 555 CD2 99 0.815E+00 -0.485E-02 -0.372E-02 +GLN 650 CA 607 ALA 558 CB 131 0.105E+01 -0.612E-02 -0.831E-03 +GLN 650 C 608 GLY 547 O 15 0.101E+01 -0.161E+00 -0.827E-03 +GLN 650 C 608 GLN 551 N 46 0.101E+01 -0.124E+00 -0.103E-02 +GLN 650 C 608 GLN 551 CA 47 0.915E+00 0.136E-01 -0.165E-02 +GLN 650 C 608 GLN 551 C 48 0.101E+01 0.134E+00 -0.834E-03 +GLN 650 C 608 GLN 551 O 49 0.980E+00 -0.187E+00 -0.102E-02 +GLN 650 C 608 GLN 551 CB 50 0.868E+00 -0.128E-01 -0.226E-02 +GLN 650 C 608 GLN 551 CG 51 0.797E+00 -0.929E-02 -0.376E-02 +GLN 650 C 608 GLN 551 CD 52 0.661E+00 0.441E+00 -0.101E-01 +GLN 650 C 608 GLN 551 OE1 53 0.640E+00 -0.443E+00 -0.129E-01 +GLN 650 C 608 GLN 551 NE2 54 0.586E+00 -0.752E+00 -0.254E-01 +GLN 650 C 608 ASN 554 CA 82 0.103E+01 0.140E-01 -0.834E-03 +GLN 650 C 608 ASN 554 C 83 0.104E+01 0.187E+00 -0.674E-03 +GLN 650 C 608 ASN 554 CB 85 0.883E+00 -0.367E-01 -0.205E-02 +GLN 650 C 608 ASN 554 CG 86 0.896E+00 0.223E+00 -0.166E-02 +GLN 650 C 608 ASN 554 OD1 87 0.974E+00 -0.177E+00 -0.106E-02 +GLN 650 C 608 ASN 554 ND2 88 0.856E+00 -0.322E+00 -0.269E-02 +GLN 650 C 608 LEU 555 CG 97 0.101E+01 0.613E-01 -0.937E-03 +GLN 650 C 608 LEU 555 CD2 99 0.912E+00 -0.456E-01 -0.169E-02 +GLN 650 O 609 GLY 547 O 15 0.102E+01 0.215E+00 -0.814E-03 +GLN 650 O 609 GLN 551 N 46 0.104E+01 0.159E+00 -0.865E-03 +GLN 650 O 609 GLN 551 CA 47 0.953E+00 -0.173E-01 -0.136E-02 +GLN 650 O 609 GLN 551 C 48 0.105E+01 -0.170E+00 -0.676E-03 +GLN 650 O 609 GLN 551 O 49 0.103E+01 0.234E+00 -0.749E-03 +GLN 650 O 609 GLN 551 CB 50 0.888E+00 0.167E-01 -0.208E-02 +GLN 650 O 609 GLN 551 CG 51 0.812E+00 0.121E-01 -0.354E-02 +GLN 650 O 609 GLN 551 CD 52 0.687E+00 -0.552E+00 -0.851E-02 +GLN 650 O 609 GLN 551 OE1 53 0.687E+00 0.520E+00 -0.870E-02 +GLN 650 O 609 GLN 551 NE2 54 0.598E+00 0.969E+00 -0.235E-01 +GLN 650 O 609 ASN 554 CB 85 0.968E+00 0.428E-01 -0.123E-02 +GLN 650 O 609 ASN 554 CG 86 0.981E+00 -0.261E+00 -0.101E-02 +GLN 650 O 609 ASN 554 ND2 88 0.929E+00 0.380E+00 -0.171E-02 +GLN 650 O 609 LEU 555 CD2 99 0.965E+00 0.564E-01 -0.126E-02 +GLN 650 CB 610 GLN 551 CA 47 0.105E+01 -0.850E-03 -0.825E-03 +GLN 650 CB 610 GLN 551 CB 50 0.102E+01 0.768E-03 -0.989E-03 +GLN 650 CB 610 GLN 551 CG 51 0.929E+00 0.550E-03 -0.170E-02 +GLN 650 CB 610 GLN 551 CD 52 0.782E+00 -0.245E-01 -0.423E-02 +GLN 650 CB 610 GLN 551 OE1 53 0.750E+00 0.249E-01 -0.567E-02 +GLN 650 CB 610 GLN 551 NE2 54 0.702E+00 0.396E-01 -0.988E-02 +GLN 650 CB 610 ASN 554 CB 85 0.936E+00 0.256E-02 -0.163E-02 +GLN 650 CB 610 ASN 554 CG 86 0.975E+00 -0.149E-01 -0.113E-02 +GLN 650 CB 610 ASN 554 OD1 87 0.104E+01 0.122E-01 -0.785E-03 +GLN 650 CB 610 ASN 554 ND2 88 0.967E+00 0.202E-01 -0.146E-02 +GLN 650 CB 610 LEU 555 CG 97 0.103E+01 -0.451E-02 -0.903E-03 +GLN 650 CB 610 LEU 555 CD2 99 0.912E+00 0.348E-02 -0.190E-02 +GLN 650 CG 611 GLN 551 CG 51 0.101E+01 0.305E-03 -0.106E-02 +GLN 650 CG 611 GLN 551 CD 52 0.862E+00 -0.130E-01 -0.237E-02 +GLN 650 CG 611 GLN 551 OE1 53 0.841E+00 0.127E-01 -0.287E-02 +GLN 650 CG 611 GLN 551 NE2 54 0.770E+00 0.208E-01 -0.572E-02 +GLN 650 CG 611 ASN 554 CB 85 0.103E+01 0.138E-02 -0.894E-03 +GLN 650 CG 611 LEU 555 CD2 99 0.940E+00 0.208E-02 -0.159E-02 +GLN 650 CD 612 GLN 551 CD 52 0.992E+00 0.347E+00 -0.902E-03 +GLN 650 CD 612 GLN 551 OE1 53 0.962E+00 -0.342E+00 -0.114E-02 +GLN 650 CD 612 GLN 551 NE2 54 0.908E+00 -0.526E+00 -0.189E-02 +GLN 650 CD 612 LEU 555 CD2 99 0.103E+01 -0.604E-01 -0.807E-03 +GLN 650 OE1 613 GLN 551 OE1 53 0.104E+01 0.286E+00 -0.722E-03 +GLN 650 OE1 613 GLN 551 NE2 54 0.997E+00 0.428E+00 -0.112E-02 +GLN 650 NE2 614 GLN 551 CD 52 0.103E+01 -0.431E+00 -0.862E-03 +GLN 650 NE2 614 GLN 551 OE1 53 0.100E+01 0.424E+00 -0.108E-02 +GLN 650 NE2 614 GLN 551 NE2 54 0.952E+00 0.645E+00 -0.174E-02 +GLN 650 NE2 614 LEU 555 CD2 99 0.102E+01 0.815E-01 -0.108E-02 +ASN 651 N 618 GLY 547 O 15 0.990E+00 0.171E+00 -0.117E-02 +ASN 651 N 618 GLN 550 C 36 0.104E+01 -0.131E+00 -0.844E-03 +ASN 651 N 618 GLN 550 O 37 0.104E+01 0.177E+00 -0.887E-03 +ASN 651 N 618 GLN 550 NE2 42 0.970E+00 0.305E+00 -0.156E-02 +ASN 651 N 618 GLN 551 N 46 0.976E+00 0.133E+00 -0.150E-02 +ASN 651 N 618 GLN 551 CA 47 0.899E+00 -0.144E-01 -0.227E-02 +ASN 651 N 618 GLN 551 C 48 0.997E+00 -0.139E+00 -0.108E-02 +ASN 651 N 618 GLN 551 O 49 0.974E+00 0.194E+00 -0.128E-02 +ASN 651 N 618 GLN 551 CB 50 0.869E+00 0.132E-01 -0.277E-02 +ASN 651 N 618 GLN 551 CG 51 0.820E+00 0.908E-02 -0.393E-02 +ASN 651 N 618 GLN 551 CD 52 0.686E+00 -0.422E+00 -0.101E-01 +ASN 651 N 618 GLN 551 OE1 53 0.645E+00 0.448E+00 -0.150E-01 +ASN 651 N 618 GLN 551 NE2 54 0.633E+00 0.655E+00 -0.198E-01 +ASN 651 N 618 ASN 554 CA 82 0.989E+00 -0.151E-01 -0.128E-02 +ASN 651 N 618 ASN 554 C 83 0.102E+01 -0.198E+00 -0.929E-03 +ASN 651 N 618 ASN 554 CB 85 0.842E+00 0.408E-01 -0.334E-02 +ASN 651 N 618 ASN 554 CG 86 0.837E+00 -0.256E+00 -0.308E-02 +ASN 651 N 618 ASN 554 OD1 87 0.903E+00 0.204E+00 -0.203E-02 +ASN 651 N 618 ASN 554 ND2 88 0.795E+00 0.375E+00 -0.514E-02 +ASN 651 N 618 LEU 555 CG 97 0.104E+01 -0.602E-01 -0.962E-03 +ASN 651 N 618 LEU 555 CD2 99 0.951E+00 0.439E-01 -0.162E-02 +ASN 651 CA 619 GLY 547 O 15 0.977E+00 -0.182E-01 -0.117E-02 +ASN 651 CA 619 GLN 550 NE2 42 0.953E+00 -0.328E-01 -0.160E-02 +ASN 651 CA 619 GLN 551 N 46 0.994E+00 -0.135E-01 -0.124E-02 +ASN 651 CA 619 GLN 551 CA 47 0.936E+00 0.142E-02 -0.163E-02 +ASN 651 CA 619 GLN 551 C 48 0.105E+01 0.135E-01 -0.728E-03 +ASN 651 CA 619 GLN 551 O 49 0.104E+01 -0.184E-01 -0.796E-03 +ASN 651 CA 619 GLN 551 CB 50 0.903E+00 -0.130E-02 -0.202E-02 +ASN 651 CA 619 GLN 551 CG 51 0.872E+00 -0.856E-03 -0.249E-02 +ASN 651 CA 619 GLN 551 CD 52 0.751E+00 0.371E-01 -0.536E-02 +ASN 651 CA 619 GLN 551 OE1 53 0.715E+00 -0.383E-01 -0.758E-02 +ASN 651 CA 619 GLN 551 NE2 54 0.707E+00 -0.549E-01 -0.946E-02 +ASN 651 CA 619 ASN 554 CB 85 0.911E+00 -0.375E-02 -0.191E-02 +ASN 651 CA 619 ASN 554 CG 86 0.884E+00 0.245E-01 -0.203E-02 +ASN 651 CA 619 ASN 554 OD1 87 0.945E+00 -0.199E-01 -0.143E-02 +ASN 651 CA 619 ASN 554 ND2 88 0.826E+00 -0.366E-01 -0.374E-02 +ASN 651 C 620 GLY 547 CA 13 0.920E+00 -0.694E-01 -0.160E-02 +ASN 651 C 620 GLY 547 C 14 0.916E+00 0.315E+00 -0.146E-02 +ASN 651 C 620 GLY 547 O 15 0.843E+00 -0.316E+00 -0.251E-02 +ASN 651 C 620 ILE 548 N 17 0.102E+01 -0.208E+00 -0.942E-03 +ASN 651 C 620 GLN 550 CA 35 0.103E+01 0.168E-01 -0.809E-03 +ASN 651 C 620 GLN 550 C 36 0.954E+00 0.213E+00 -0.114E-02 +ASN 651 C 620 GLN 550 O 37 0.977E+00 -0.277E+00 -0.104E-02 +ASN 651 C 620 GLN 550 CB 38 0.944E+00 -0.166E-01 -0.137E-02 +ASN 651 C 620 GLN 550 CG 39 0.971E+00 -0.992E-02 -0.116E-02 +ASN 651 C 620 GLN 550 CD 40 0.973E+00 0.330E+00 -0.102E-02 +ASN 651 C 620 GLN 550 NE2 42 0.872E+00 -0.519E+00 -0.241E-02 +ASN 651 C 620 GLN 551 N 46 0.887E+00 -0.221E+00 -0.217E-02 +ASN 651 C 620 GLN 551 CA 47 0.839E+00 0.232E-01 -0.278E-02 +ASN 651 C 620 GLN 551 C 48 0.964E+00 0.210E+00 -0.107E-02 +ASN 651 C 620 GLN 551 O 49 0.972E+00 -0.280E+00 -0.107E-02 +ASN 651 C 620 GLN 551 CB 50 0.796E+00 -0.220E-01 -0.381E-02 +ASN 651 C 620 GLN 551 CG 51 0.777E+00 -0.143E-01 -0.439E-02 +ASN 651 C 620 GLN 551 CD 52 0.672E+00 0.629E+00 -0.919E-02 +ASN 651 C 620 GLN 551 OE1 53 0.646E+00 -0.640E+00 -0.122E-01 +ASN 651 C 620 GLN 551 NE2 54 0.637E+00 -0.927E+00 -0.156E-01 +ASN 651 C 620 ASN 554 CA 82 0.103E+01 0.205E-01 -0.827E-03 +ASN 651 C 620 ASN 554 CB 85 0.875E+00 -0.549E-01 -0.216E-02 +ASN 651 C 620 ASN 554 CG 86 0.839E+00 0.366E+00 -0.246E-02 +ASN 651 C 620 ASN 554 OD1 87 0.908E+00 -0.290E+00 -0.161E-02 +ASN 651 C 620 ASN 554 ND2 88 0.762E+00 -0.579E+00 -0.537E-02 +ASN 651 C 620 LEU 555 CD2 99 0.103E+01 -0.558E-01 -0.808E-03 +ASN 651 O 621 GLY 547 N 12 0.104E+01 0.142E+00 -0.871E-03 +ASN 651 O 621 GLY 547 CA 13 0.901E+00 0.610E-01 -0.190E-02 +ASN 651 O 621 GLY 547 C 14 0.907E+00 -0.272E+00 -0.162E-02 +ASN 651 O 621 GLY 547 O 15 0.848E+00 0.266E+00 -0.246E-02 +ASN 651 O 621 ILE 548 N 17 0.101E+01 0.180E+00 -0.106E-02 +ASN 651 O 621 GLN 550 C 36 0.100E+01 -0.168E+00 -0.890E-03 +ASN 651 O 621 GLN 550 O 37 0.104E+01 0.215E+00 -0.731E-03 +ASN 651 O 621 GLN 550 CB 38 0.973E+00 0.134E-01 -0.120E-02 +ASN 651 O 621 GLN 550 CG 39 0.100E+01 0.803E-02 -0.100E-02 +ASN 651 O 621 GLN 550 CD 40 0.102E+01 -0.261E+00 -0.793E-03 +ASN 651 O 621 GLN 550 NE2 42 0.929E+00 0.398E+00 -0.170E-02 +ASN 651 O 621 GLN 551 N 46 0.929E+00 0.174E+00 -0.171E-02 +ASN 651 O 621 GLN 551 CA 47 0.889E+00 -0.179E-01 -0.206E-02 +ASN 651 O 621 GLN 551 C 48 0.102E+01 -0.164E+00 -0.799E-03 +ASN 651 O 621 GLN 551 O 49 0.104E+01 0.215E+00 -0.725E-03 +ASN 651 O 621 GLN 551 CB 50 0.830E+00 0.173E-01 -0.311E-02 +ASN 651 O 621 GLN 551 CG 51 0.813E+00 0.112E-01 -0.350E-02 +ASN 651 O 621 GLN 551 CD 52 0.723E+00 -0.464E+00 -0.626E-02 +ASN 651 O 621 GLN 551 OE1 53 0.714E+00 0.446E+00 -0.686E-02 +ASN 651 O 621 GLN 551 NE2 54 0.682E+00 0.686E+00 -0.108E-01 +ASN 651 O 621 ASN 554 CB 85 0.970E+00 0.397E-01 -0.122E-02 +ASN 651 O 621 ASN 554 CG 86 0.931E+00 -0.262E+00 -0.138E-02 +ASN 651 O 621 ASN 554 OD1 87 0.100E+01 0.211E+00 -0.901E-03 +ASN 651 O 621 ASN 554 ND2 88 0.844E+00 0.412E+00 -0.304E-02 +ASN 651 CB 622 GLY 547 O 15 0.102E+01 0.357E-01 -0.902E-03 +ASN 651 CB 622 GLN 550 CD 40 0.103E+01 -0.463E-01 -0.818E-03 +ASN 651 CB 622 GLN 550 NE2 42 0.911E+00 0.736E-01 -0.209E-02 +ASN 651 CB 622 GLN 551 N 46 0.103E+01 0.270E-01 -0.103E-02 +ASN 651 CB 622 GLN 551 CA 47 0.979E+00 -0.276E-02 -0.124E-02 +ASN 651 CB 622 GLN 551 CB 50 0.967E+00 0.243E-02 -0.134E-02 +ASN 651 CB 622 GLN 551 CG 51 0.955E+00 0.155E-02 -0.144E-02 +ASN 651 CB 622 GLN 551 CD 52 0.836E+00 -0.641E-01 -0.283E-02 +ASN 651 CB 622 GLN 551 OE1 53 0.782E+00 0.678E-01 -0.444E-02 +ASN 651 CB 622 GLN 551 NE2 54 0.811E+00 0.894E-01 -0.420E-02 +ASN 651 CB 622 ASN 554 CB 85 0.916E+00 0.777E-02 -0.186E-02 +ASN 651 CB 622 ASN 554 CG 86 0.870E+00 -0.524E-01 -0.223E-02 +ASN 651 CB 622 ASN 554 OD1 87 0.913E+00 0.438E-01 -0.176E-02 +ASN 651 CB 622 ASN 554 ND2 88 0.819E+00 0.778E-01 -0.396E-02 +ASN 651 CG 623 GLN 550 NE2 42 0.103E+01 -0.382E+00 -0.908E-03 +ASN 651 CG 623 GLN 551 CD 52 0.944E+00 0.327E+00 -0.122E-02 +ASN 651 CG 623 GLN 551 OE1 53 0.885E+00 -0.340E+00 -0.187E-02 +ASN 651 CG 623 GLN 551 NE2 54 0.910E+00 -0.458E+00 -0.186E-02 +ASN 651 CG 623 ASN 554 CB 85 0.997E+00 -0.424E-01 -0.992E-03 +ASN 651 CG 623 ASN 554 CG 86 0.959E+00 0.279E+00 -0.111E-02 +ASN 651 CG 623 ASN 554 OD1 87 0.993E+00 -0.239E+00 -0.939E-03 +ASN 651 CG 623 ASN 554 ND2 88 0.924E+00 -0.396E+00 -0.171E-02 +ASN 651 OD1 624 GLN 551 CD 52 0.100E+01 -0.271E+00 -0.900E-03 +ASN 651 OD1 624 GLN 551 OE1 53 0.952E+00 0.274E+00 -0.123E-02 +ASN 651 OD1 624 GLN 551 NE2 54 0.952E+00 0.385E+00 -0.148E-02 +ASN 651 OD1 624 ASN 554 ND2 88 0.103E+01 0.304E+00 -0.932E-03 +ASN 651 ND2 625 GLN 550 NE2 42 0.101E+01 0.524E+00 -0.123E-02 +ASN 651 ND2 625 GLN 551 CD 52 0.989E+00 -0.409E+00 -0.114E-02 +ASN 651 ND2 625 GLN 551 OE1 53 0.916E+00 0.432E+00 -0.186E-02 +ASN 651 ND2 625 GLN 551 NE2 54 0.967E+00 0.559E+00 -0.159E-02 +ASN 651 ND2 625 ASN 554 CB 85 0.972E+00 0.589E-01 -0.141E-02 +ASN 651 ND2 625 ASN 554 CG 86 0.931E+00 -0.391E+00 -0.162E-02 +ASN 651 ND2 625 ASN 554 OD1 87 0.951E+00 0.342E+00 -0.148E-02 +ASN 651 ND2 625 ASN 554 ND2 88 0.911E+00 0.542E+00 -0.227E-02 +GLN 652 N 629 SER 546 O 7 0.104E+01 0.163E+00 -0.867E-03 +GLN 652 N 629 GLY 547 N 12 0.974E+00 0.116E+00 -0.152E-02 +GLN 652 N 629 GLY 547 CA 13 0.830E+00 0.516E-01 -0.365E-02 +GLN 652 N 629 GLY 547 C 14 0.816E+00 -0.239E+00 -0.358E-02 +GLN 652 N 629 GLY 547 O 15 0.734E+00 0.254E+00 -0.700E-02 +GLN 652 N 629 ILE 548 N 17 0.923E+00 0.152E+00 -0.211E-02 +GLN 652 N 629 ILE 548 CA 18 0.971E+00 0.317E-01 -0.143E-02 +GLN 652 N 629 ILE 548 C 19 0.102E+01 -0.164E+00 -0.925E-03 +GLN 652 N 629 ILE 548 O 20 0.101E+01 0.182E+00 -0.104E-02 +GLN 652 N 629 GLN 550 N 34 0.991E+00 0.117E+00 -0.137E-02 +GLN 652 N 629 GLN 550 CA 35 0.905E+00 -0.128E-01 -0.217E-02 +GLN 652 N 629 GLN 550 C 36 0.823E+00 -0.170E+00 -0.339E-02 +GLN 652 N 629 GLN 550 O 37 0.844E+00 0.220E+00 -0.303E-02 +GLN 652 N 629 GLN 550 CB 38 0.825E+00 0.129E-01 -0.379E-02 +GLN 652 N 629 GLN 550 CG 39 0.857E+00 0.758E-02 -0.301E-02 +GLN 652 N 629 GLN 550 CD 40 0.855E+00 -0.254E+00 -0.271E-02 +GLN 652 N 629 GLN 550 OE1 41 0.964E+00 0.197E+00 -0.137E-02 +GLN 652 N 629 GLN 550 NE2 42 0.755E+00 0.418E+00 -0.700E-02 +GLN 652 N 629 GLN 551 N 46 0.759E+00 0.181E+00 -0.675E-02 +GLN 652 N 629 GLN 551 CA 47 0.711E+00 -0.196E-01 -0.919E-02 +GLN 652 N 629 GLN 551 C 48 0.836E+00 -0.166E+00 -0.310E-02 +GLN 652 N 629 GLN 551 O 49 0.845E+00 0.219E+00 -0.301E-02 +GLN 652 N 629 GLN 551 CB 50 0.677E+00 0.186E-01 -0.122E-01 +GLN 652 N 629 GLN 551 CG 51 0.668E+00 0.120E-01 -0.132E-01 +GLN 652 N 629 GLN 551 CD 52 0.566E+00 -0.567E+00 -0.310E-01 +GLN 652 N 629 GLN 551 OE1 53 0.530E+00 0.618E+00 -0.477E-01 +GLN 652 N 629 GLN 551 NE2 54 0.550E+00 0.799E+00 -0.451E-01 +GLN 652 N 629 GLN 552 N 58 0.951E+00 0.124E+00 -0.175E-02 +GLN 652 N 629 ASN 554 N 81 0.955E+00 0.137E+00 -0.171E-02 +GLN 652 N 629 ASN 554 CA 82 0.902E+00 -0.157E-01 -0.222E-02 +GLN 652 N 629 ASN 554 C 83 0.965E+00 -0.194E+00 -0.131E-02 +GLN 652 N 629 ASN 554 O 84 0.103E+01 0.150E+00 -0.943E-03 +GLN 652 N 629 ASN 554 CB 85 0.749E+00 0.451E-01 -0.670E-02 +GLN 652 N 629 ASN 554 CG 86 0.712E+00 -0.309E+00 -0.807E-02 +GLN 652 N 629 ASN 554 OD1 87 0.785E+00 0.232E+00 -0.468E-02 +GLN 652 N 629 ASN 554 ND2 88 0.631E+00 0.525E+00 -0.201E-01 +GLN 652 N 629 LEU 555 N 92 0.988E+00 0.108E+00 -0.140E-02 +GLN 652 N 629 LEU 555 CG 97 0.978E+00 -0.590E-01 -0.136E-02 +GLN 652 N 629 LEU 555 CD1 98 0.105E+01 0.343E-01 -0.915E-03 +GLN 652 N 629 LEU 555 CD2 99 0.932E+00 0.407E-01 -0.183E-02 +GLN 652 N 629 ARG 557 NH2 120 0.103E+01 0.194E+00 -0.106E-02 +GLN 652 CA 630 SER 546 C 6 0.922E+00 0.155E-01 -0.158E-02 +GLN 652 CA 630 SER 546 O 7 0.909E+00 -0.191E-01 -0.180E-02 +GLN 652 CA 630 SER 546 OG 9 0.103E+01 -0.175E-01 -0.956E-03 +GLN 652 CA 630 GLY 547 N 12 0.834E+00 -0.142E-01 -0.355E-02 +GLN 652 CA 630 GLY 547 CA 13 0.689E+00 -0.694E-02 -0.101E-01 +GLN 652 CA 630 GLY 547 C 14 0.676E+00 0.325E-01 -0.100E-01 +GLN 652 CA 630 GLY 547 O 15 0.600E+00 -0.364E-01 -0.214E-01 +GLN 652 CA 630 ILE 548 N 17 0.782E+00 -0.191E-01 -0.520E-02 +GLN 652 CA 630 ILE 548 CA 18 0.836E+00 -0.385E-02 -0.319E-02 +GLN 652 CA 630 ILE 548 C 19 0.895E+00 0.192E-01 -0.188E-02 +GLN 652 CA 630 ILE 548 O 20 0.891E+00 -0.211E-01 -0.203E-02 +GLN 652 CA 630 ILE 548 CB 21 0.961E+00 0.187E-02 -0.139E-02 +GLN 652 CA 630 ILE 548 CG1 22 0.940E+00 0.687E-03 -0.159E-02 +GLN 652 CA 630 ILE 548 CG2 23 0.104E+01 -0.348E-02 -0.851E-03 +GLN 652 CA 630 VAL 549 N 26 0.976E+00 -0.133E-01 -0.138E-02 +GLN 652 CA 630 VAL 549 C 28 0.972E+00 0.133E-01 -0.115E-02 +GLN 652 CA 630 VAL 549 O 29 0.102E+01 -0.113E-01 -0.926E-03 +GLN 652 CA 630 GLN 550 N 34 0.876E+00 -0.135E-01 -0.264E-02 +GLN 652 CA 630 GLN 550 CA 35 0.801E+00 0.150E-02 -0.412E-02 +GLN 652 CA 630 GLN 550 C 36 0.729E+00 0.202E-01 -0.641E-02 +GLN 652 CA 630 GLN 550 O 37 0.767E+00 -0.248E-01 -0.496E-02 +GLN 652 CA 630 GLN 550 CB 38 0.716E+00 -0.160E-02 -0.807E-02 +GLN 652 CA 630 GLN 550 CG 39 0.760E+00 -0.893E-03 -0.564E-02 +GLN 652 CA 630 GLN 550 CD 40 0.778E+00 0.286E-01 -0.436E-02 +GLN 652 CA 630 GLN 550 OE1 41 0.892E+00 -0.213E-01 -0.202E-02 +GLN 652 CA 630 GLN 550 NE2 42 0.693E+00 -0.470E-01 -0.107E-01 +GLN 652 CA 630 GLN 551 N 46 0.657E+00 -0.229E-01 -0.147E-01 +GLN 652 CA 630 GLN 551 CA 47 0.622E+00 0.245E-02 -0.185E-01 +GLN 652 CA 630 GLN 551 C 48 0.758E+00 0.188E-01 -0.507E-02 +GLN 652 CA 630 GLN 551 O 49 0.787E+00 -0.237E-01 -0.428E-02 +GLN 652 CA 630 GLN 551 CB 50 0.576E+00 -0.249E-02 -0.287E-01 +GLN 652 CA 630 GLN 551 CG 51 0.586E+00 -0.150E-02 -0.261E-01 +GLN 652 CA 630 GLN 551 CD 52 0.510E+00 0.689E-01 -0.507E-01 +GLN 652 CA 630 GLN 551 OE1 53 0.489E+00 -0.715E-01 -0.691E-01 +GLN 652 CA 630 GLN 551 NE2 54 0.510E+00 -0.907E-01 -0.626E-01 +GLN 652 CA 630 GLN 552 N 58 0.863E+00 -0.139E-01 -0.288E-02 +GLN 652 CA 630 GLN 552 CA 59 0.100E+01 0.105E-02 -0.109E-02 +GLN 652 CA 630 ASN 553 N 70 0.103E+01 -0.118E-01 -0.102E-02 +GLN 652 CA 630 ASN 553 C 72 0.104E+01 0.165E-01 -0.755E-03 +GLN 652 CA 630 ASN 554 N 81 0.915E+00 -0.140E-01 -0.203E-02 +GLN 652 CA 630 ASN 554 CA 82 0.884E+00 0.155E-02 -0.230E-02 +GLN 652 CA 630 ASN 554 C 83 0.954E+00 0.188E-01 -0.128E-02 +GLN 652 CA 630 ASN 554 O 84 0.103E+01 -0.143E-01 -0.852E-03 +GLN 652 CA 630 ASN 554 CB 85 0.735E+00 -0.447E-02 -0.689E-02 +GLN 652 CA 630 ASN 554 CG 86 0.691E+00 0.313E-01 -0.883E-02 +GLN 652 CA 630 ASN 554 OD1 87 0.772E+00 -0.229E-01 -0.479E-02 +GLN 652 CA 630 ASN 554 ND2 88 0.591E+00 -0.578E-01 -0.273E-01 +GLN 652 CA 630 LEU 555 N 92 0.964E+00 -0.107E-01 -0.148E-02 +GLN 652 CA 630 LEU 555 CG 97 0.944E+00 0.596E-02 -0.155E-02 +GLN 652 CA 630 LEU 555 CD1 98 0.998E+00 -0.351E-02 -0.111E-02 +GLN 652 CA 630 LEU 555 CD2 99 0.918E+00 -0.399E-02 -0.183E-02 +GLN 652 CA 630 ARG 557 NH2 120 0.103E+01 -0.187E-01 -0.101E-02 +GLN 652 C 631 SER 546 C 6 0.939E+00 0.171E+00 -0.126E-02 +GLN 652 C 631 SER 546 O 7 0.935E+00 -0.207E+00 -0.135E-02 +GLN 652 C 631 GLY 547 N 12 0.840E+00 -0.159E+00 -0.300E-02 +GLN 652 C 631 GLY 547 CA 13 0.696E+00 -0.770E-01 -0.841E-02 +GLN 652 C 631 GLY 547 C 14 0.667E+00 0.377E+00 -0.960E-02 +GLN 652 C 631 GLY 547 O 15 0.599E+00 -0.413E+00 -0.191E-01 +GLN 652 C 631 ILE 548 N 17 0.755E+00 -0.231E+00 -0.569E-02 +GLN 652 C 631 ILE 548 CA 18 0.797E+00 -0.474E-01 -0.379E-02 +GLN 652 C 631 ILE 548 C 19 0.873E+00 0.227E+00 -0.194E-02 +GLN 652 C 631 ILE 548 O 20 0.869E+00 -0.249E+00 -0.210E-02 +GLN 652 C 631 ILE 548 CB 21 0.906E+00 0.232E-01 -0.175E-02 +GLN 652 C 631 ILE 548 CG1 22 0.868E+00 0.883E-02 -0.226E-02 +GLN 652 C 631 ILE 548 CG2 23 0.982E+00 -0.430E-01 -0.108E-02 +GLN 652 C 631 ILE 548 CD1 24 0.100E+01 -0.324E-01 -0.960E-03 +GLN 652 C 631 VAL 549 N 26 0.967E+00 -0.152E+00 -0.130E-02 +GLN 652 C 631 VAL 549 C 28 0.994E+00 0.145E+00 -0.890E-03 +GLN 652 C 631 VAL 549 O 29 0.104E+01 -0.123E+00 -0.698E-03 +GLN 652 C 631 GLN 550 N 34 0.908E+00 -0.144E+00 -0.188E-02 +GLN 652 C 631 GLN 550 CA 35 0.854E+00 0.153E-01 -0.249E-02 +GLN 652 C 631 GLN 550 C 36 0.776E+00 0.204E+00 -0.391E-02 +GLN 652 C 631 GLN 550 O 37 0.824E+00 -0.248E+00 -0.287E-02 +GLN 652 C 631 GLN 550 CB 38 0.778E+00 -0.155E-01 -0.434E-02 +GLN 652 C 631 GLN 550 CG 39 0.845E+00 -0.840E-02 -0.265E-02 +GLN 652 C 631 GLN 550 CD 40 0.877E+00 0.264E+00 -0.189E-02 +GLN 652 C 631 GLN 550 OE1 41 0.989E+00 -0.205E+00 -0.960E-03 +GLN 652 C 631 GLN 550 NE2 42 0.805E+00 -0.404E+00 -0.389E-02 +GLN 652 C 631 GLN 551 N 46 0.682E+00 -0.240E+00 -0.104E-01 +GLN 652 C 631 GLN 551 CA 47 0.633E+00 0.267E-01 -0.148E-01 +GLN 652 C 631 GLN 551 C 48 0.764E+00 0.210E+00 -0.431E-02 +GLN 652 C 631 GLN 551 O 49 0.796E+00 -0.263E+00 -0.353E-02 +GLN 652 C 631 GLN 551 CB 50 0.553E+00 -0.310E-01 -0.323E-01 +GLN 652 C 631 GLN 551 CG 51 0.535E+00 -0.208E-01 -0.387E-01 +GLN 652 C 631 GLN 551 CD 52 0.467E+00 0.962E+00 -0.710E-01 +GLN 652 C 631 GLN 551 OE1 53 0.482E+00 -0.836E+00 -0.660E-01 +GLN 652 C 631 GLN 551 NE2 54 0.440E+00 -0.147E+01 -0.119E+00 +GLN 652 C 631 GLN 552 N 58 0.862E+00 -0.157E+00 -0.258E-02 +GLN 652 C 631 GLN 552 CA 59 0.997E+00 0.120E-01 -0.987E-03 +GLN 652 C 631 ASN 554 N 81 0.968E+00 -0.145E+00 -0.128E-02 +GLN 652 C 631 ASN 554 CA 82 0.942E+00 0.159E-01 -0.139E-02 +GLN 652 C 631 ASN 554 C 83 0.996E+00 0.200E+00 -0.883E-03 +GLN 652 C 631 ASN 554 CB 85 0.798E+00 -0.436E-01 -0.375E-02 +GLN 652 C 631 ASN 554 CG 86 0.775E+00 0.285E+00 -0.394E-02 +GLN 652 C 631 ASN 554 OD1 87 0.870E+00 -0.211E+00 -0.208E-02 +GLN 652 C 631 ASN 554 ND2 88 0.676E+00 -0.495E+00 -0.110E-01 +GLN 652 C 631 LEU 555 N 92 0.987E+00 -0.117E+00 -0.115E-02 +GLN 652 C 631 LEU 555 CB 96 0.105E+01 -0.433E-01 -0.733E-03 +GLN 652 C 631 LEU 555 CG 97 0.918E+00 0.704E-01 -0.162E-02 +GLN 652 C 631 LEU 555 CD1 98 0.953E+00 -0.426E-01 -0.130E-02 +GLN 652 C 631 LEU 555 CD2 99 0.891E+00 -0.474E-01 -0.194E-02 +GLN 652 O 632 SER 546 N 4 0.103E+01 0.226E+00 -0.934E-03 +GLN 652 O 632 SER 546 CA 5 0.101E+01 -0.505E-01 -0.956E-03 +GLN 652 O 632 SER 546 C 6 0.877E+00 -0.257E+00 -0.198E-02 +GLN 652 O 632 SER 546 O 7 0.887E+00 0.304E+00 -0.188E-02 +GLN 652 O 632 SER 546 OG 9 0.975E+00 0.288E+00 -0.118E-02 +GLN 652 O 632 SER 546 HG 11 0.993E+00 -0.196E+00 0.000E+00 +GLN 652 O 632 GLY 547 N 12 0.769E+00 0.250E+00 -0.530E-02 +GLN 652 O 632 GLY 547 CA 13 0.630E+00 0.127E+00 -0.161E-01 +GLN 652 O 632 GLY 547 C 14 0.610E+00 -0.612E+00 -0.172E-01 +GLN 652 O 632 GLY 547 O 15 0.561E+00 0.643E+00 -0.288E-01 +GLN 652 O 632 ILE 548 N 17 0.690E+00 0.369E+00 -0.101E-01 +GLN 652 O 632 ILE 548 CA 18 0.741E+00 0.728E-01 -0.609E-02 +GLN 652 O 632 ILE 548 C 19 0.834E+00 -0.329E+00 -0.267E-02 +GLN 652 O 632 ILE 548 O 20 0.845E+00 0.351E+00 -0.252E-02 +GLN 652 O 632 ILE 548 CB 21 0.840E+00 -0.355E-01 -0.289E-02 +GLN 652 O 632 ILE 548 CG1 22 0.788E+00 -0.141E-01 -0.424E-02 +GLN 652 O 632 ILE 548 CG2 23 0.926E+00 0.635E-01 -0.162E-02 +GLN 652 O 632 ILE 548 CD1 24 0.915E+00 0.503E-01 -0.173E-02 +GLN 652 O 632 VAL 549 N 26 0.926E+00 0.220E+00 -0.174E-02 +GLN 652 O 632 VAL 549 CA 27 0.103E+01 0.217E-01 -0.864E-03 +GLN 652 O 632 VAL 549 C 28 0.980E+00 -0.200E+00 -0.102E-02 +GLN 652 O 632 VAL 549 O 29 0.104E+01 0.166E+00 -0.718E-03 +GLN 652 O 632 GLN 550 N 34 0.892E+00 0.201E+00 -0.218E-02 +GLN 652 O 632 GLN 550 CA 35 0.853E+00 -0.206E-01 -0.263E-02 +GLN 652 O 632 GLN 550 C 36 0.791E+00 -0.266E+00 -0.367E-02 +GLN 652 O 632 GLN 550 O 37 0.855E+00 0.314E+00 -0.235E-02 +GLN 652 O 632 GLN 550 CB 38 0.770E+00 0.213E-01 -0.486E-02 +GLN 652 O 632 GLN 550 CG 39 0.842E+00 0.114E-01 -0.285E-02 +GLN 652 O 632 GLN 550 CD 40 0.894E+00 -0.345E+00 -0.177E-02 +GLN 652 O 632 GLN 550 OE1 41 0.101E+01 0.269E+00 -0.871E-03 +GLN 652 O 632 GLN 550 NE2 42 0.835E+00 0.510E+00 -0.323E-02 +GLN 652 O 632 GLN 551 N 46 0.691E+00 0.316E+00 -0.998E-02 +GLN 652 O 632 GLN 551 CA 47 0.658E+00 -0.333E-01 -0.124E-01 +GLN 652 O 632 GLN 551 C 48 0.794E+00 -0.264E+00 -0.358E-02 +GLN 652 O 632 GLN 551 O 49 0.842E+00 0.322E+00 -0.256E-02 +GLN 652 O 632 GLN 551 CB 50 0.563E+00 0.402E-01 -0.310E-01 +GLN 652 O 632 GLN 551 CG 51 0.558E+00 0.256E-01 -0.327E-01 +GLN 652 O 632 GLN 551 CD 52 0.520E+00 -0.100E+01 -0.434E-01 +GLN 652 O 632 GLN 551 OE1 53 0.552E+00 0.821E+00 -0.315E-01 +GLN 652 O 632 GLN 551 NE2 54 0.498E+00 0.147E+01 -0.679E-01 +GLN 652 O 632 GLN 552 N 58 0.879E+00 0.206E+00 -0.239E-02 +GLN 652 O 632 GLN 552 CA 59 0.102E+01 -0.157E-01 -0.918E-03 +GLN 652 O 632 ASN 554 N 81 0.103E+01 0.180E+00 -0.939E-03 +GLN 652 O 632 ASN 554 CA 82 0.101E+01 -0.191E-01 -0.930E-03 +GLN 652 O 632 ASN 554 CB 85 0.876E+00 0.502E-01 -0.225E-02 +GLN 652 O 632 ASN 554 CG 86 0.848E+00 -0.329E+00 -0.243E-02 +GLN 652 O 632 ASN 554 OD1 87 0.942E+00 0.250E+00 -0.131E-02 +GLN 652 O 632 ASN 554 ND2 88 0.738E+00 0.563E+00 -0.676E-02 +GLN 652 O 632 LEU 555 CG 97 0.973E+00 -0.868E-01 -0.119E-02 +GLN 652 O 632 LEU 555 CD1 98 0.993E+00 0.540E-01 -0.106E-02 +GLN 652 O 632 LEU 555 CD2 99 0.960E+00 0.568E-01 -0.130E-02 +GLN 652 CB 633 SER 546 CA 5 0.997E+00 -0.292E-02 -0.112E-02 +GLN 652 CB 633 SER 546 C 6 0.850E+00 -0.153E-01 -0.257E-02 +GLN 652 CB 633 SER 546 O 7 0.820E+00 0.196E-01 -0.333E-02 +GLN 652 CB 633 SER 546 CB 8 0.103E+01 -0.345E-02 -0.906E-03 +GLN 652 CB 633 SER 546 OG 9 0.984E+00 0.161E-01 -0.124E-02 +GLN 652 CB 633 SER 546 HG 11 0.103E+01 -0.105E-01 0.000E+00 +GLN 652 CB 633 GLY 547 N 12 0.778E+00 0.138E-01 -0.535E-02 +GLN 652 CB 633 GLY 547 CA 13 0.634E+00 0.710E-02 -0.165E-01 +GLN 652 CB 633 GLY 547 C 14 0.605E+00 -0.352E-01 -0.192E-01 +GLN 652 CB 633 GLY 547 O 15 0.512E+00 0.448E-01 -0.532E-01 +GLN 652 CB 633 ILE 548 N 17 0.716E+00 0.195E-01 -0.882E-02 +GLN 652 CB 633 ILE 548 CA 18 0.762E+00 0.393E-02 -0.558E-02 +GLN 652 CB 633 ILE 548 C 19 0.799E+00 -0.201E-01 -0.371E-02 +GLN 652 CB 633 ILE 548 O 20 0.786E+00 0.225E-01 -0.429E-02 +GLN 652 CB 633 ILE 548 CB 21 0.898E+00 -0.180E-02 -0.209E-02 +GLN 652 CB 633 ILE 548 CG1 22 0.900E+00 -0.636E-03 -0.206E-02 +GLN 652 CB 633 ILE 548 CG2 23 0.974E+00 0.333E-02 -0.129E-02 +GLN 652 CB 633 ILE 548 CD1 24 0.105E+01 0.232E-02 -0.827E-03 +GLN 652 CB 633 VAL 549 N 26 0.877E+00 0.136E-01 -0.262E-02 +GLN 652 CB 633 VAL 549 CA 27 0.939E+00 0.141E-02 -0.160E-02 +GLN 652 CB 633 VAL 549 C 28 0.848E+00 -0.142E-01 -0.260E-02 +GLN 652 CB 633 VAL 549 O 29 0.883E+00 0.121E-01 -0.214E-02 +GLN 652 CB 633 VAL 549 CB 30 0.105E+01 -0.912E-02 -0.841E-03 +GLN 652 CB 633 GLN 550 N 34 0.755E+00 0.151E-01 -0.640E-02 +GLN 652 CB 633 GLN 550 CA 35 0.672E+00 -0.181E-02 -0.117E-01 +GLN 652 CB 633 GLN 550 C 36 0.591E+00 -0.268E-01 -0.220E-01 +GLN 652 CB 633 GLN 550 O 37 0.622E+00 0.323E-01 -0.172E-01 +GLN 652 CB 633 GLN 550 CB 38 0.599E+00 0.198E-02 -0.230E-01 +GLN 652 CB 633 GLN 550 CG 39 0.650E+00 0.105E-02 -0.143E-01 +GLN 652 CB 633 GLN 550 CD 40 0.656E+00 -0.343E-01 -0.120E-01 +GLN 652 CB 633 GLN 550 OE1 41 0.765E+00 0.240E-01 -0.506E-02 +GLN 652 CB 633 GLN 550 NE2 42 0.571E+00 0.607E-01 -0.331E-01 +GLN 652 CB 633 GLN 551 N 46 0.525E+00 0.321E-01 -0.532E-01 +GLN 652 CB 633 GLN 551 CA 47 0.491E+00 -0.360E-02 -0.695E-01 +GLN 652 CB 633 GLN 551 C 48 0.628E+00 -0.235E-01 -0.155E-01 +GLN 652 CB 633 GLN 551 O 49 0.656E+00 0.290E-01 -0.127E-01 +GLN 652 CB 633 GLN 551 CB 50 0.470E+00 0.346E-02 -0.870E-01 +GLN 652 CB 633 GLN 551 CG 51 0.500E+00 0.187E-02 -0.635E-01 +GLN 652 CB 633 GLN 551 CD 52 0.429E+00 -0.905E-01 -0.117E+00 +GLN 652 CB 633 GLN 551 OE1 53 0.387E+00 0.111E+00 -0.210E+00 +GLN 652 CB 633 GLN 551 NE2 54 0.465E+00 0.980E-01 -0.102E+00 +GLN 652 CB 633 GLN 552 N 58 0.735E+00 0.159E-01 -0.751E-02 +GLN 652 CB 633 GLN 552 CA 59 0.872E+00 -0.113E-02 -0.249E-02 +GLN 652 CB 633 GLN 552 C 60 0.918E+00 -0.118E-01 -0.162E-02 +GLN 652 CB 633 GLN 552 O 61 0.999E+00 0.139E-01 -0.102E-02 +GLN 652 CB 633 GLN 552 CB 62 0.977E+00 0.815E-03 -0.126E-02 +GLN 652 CB 633 GLN 552 CG 63 0.101E+01 0.485E-03 -0.103E-02 +GLN 652 CB 633 ASN 553 N 70 0.884E+00 0.128E-01 -0.250E-02 +GLN 652 CB 633 ASN 553 CA 71 0.942E+00 -0.121E-02 -0.156E-02 +GLN 652 CB 633 ASN 553 C 72 0.898E+00 -0.179E-01 -0.185E-02 +GLN 652 CB 633 ASN 553 O 73 0.990E+00 0.131E-01 -0.108E-02 +GLN 652 CB 633 ASN 553 CB 74 0.937E+00 0.255E-02 -0.162E-02 +GLN 652 CB 633 ASN 553 CG 75 0.105E+01 -0.134E-01 -0.726E-03 +GLN 652 CB 633 ASN 554 N 81 0.771E+00 0.162E-01 -0.568E-02 +GLN 652 CB 633 ASN 554 CA 82 0.745E+00 -0.180E-02 -0.636E-02 +GLN 652 CB 633 ASN 554 C 83 0.824E+00 -0.207E-01 -0.310E-02 +GLN 652 CB 633 ASN 554 O 84 0.905E+00 0.150E-01 -0.185E-02 +GLN 652 CB 633 ASN 554 CB 85 0.599E+00 0.583E-02 -0.230E-01 +GLN 652 CB 633 ASN 554 CG 86 0.550E+00 -0.437E-01 -0.332E-01 +GLN 652 CB 633 ASN 554 OD1 87 0.635E+00 0.289E-01 -0.153E-01 +GLN 652 CB 633 ASN 554 ND2 88 0.445E+00 0.966E-01 -0.127E+00 +GLN 652 CB 633 LEU 555 N 92 0.836E+00 0.116E-01 -0.349E-02 +GLN 652 CB 633 LEU 555 CA 93 0.936E+00 0.275E-02 -0.163E-02 +GLN 652 CB 633 LEU 555 CB 96 0.946E+00 0.385E-02 -0.152E-02 +GLN 652 CB 633 LEU 555 CG 97 0.840E+00 -0.623E-02 -0.312E-02 +GLN 652 CB 633 LEU 555 CD1 98 0.903E+00 0.354E-02 -0.201E-02 +GLN 652 CB 633 LEU 555 CD2 99 0.826E+00 0.410E-02 -0.343E-02 +GLN 652 CB 633 ARG 557 CZ 118 0.101E+01 -0.137E-01 -0.916E-03 +GLN 652 CB 633 ARG 557 NH2 120 0.897E+00 0.200E-01 -0.230E-02 +GLN 652 CB 633 ARG 557 HE 122 0.102E+01 -0.286E-02 -0.293E-04 +GLN 652 CG 634 SER 546 N 4 0.907E+00 0.966E-02 -0.214E-02 +GLN 652 CG 634 SER 546 CA 5 0.846E+00 -0.236E-02 -0.299E-02 +GLN 652 CG 634 SER 546 C 6 0.698E+00 -0.137E-01 -0.830E-02 +GLN 652 CG 634 SER 546 O 7 0.667E+00 0.180E-01 -0.114E-01 +GLN 652 CG 634 SER 546 CB 8 0.885E+00 -0.273E-02 -0.228E-02 +GLN 652 CG 634 SER 546 OG 9 0.843E+00 0.129E-01 -0.313E-02 +GLN 652 CG 634 SER 546 HG 11 0.892E+00 -0.818E-02 0.000E+00 +GLN 652 CG 634 GLY 547 N 12 0.631E+00 0.130E-01 -0.186E-01 +GLN 652 CG 634 GLY 547 CA 13 0.488E+00 0.797E-02 -0.721E-01 +GLN 652 CG 634 GLY 547 C 14 0.459E+00 -0.416E-01 -0.869E-01 +GLN 652 CG 634 GLY 547 O 15 0.367E+00 0.651E-01 -0.241E+00 +GLN 652 CG 634 ILE 548 N 17 0.575E+00 0.191E-01 -0.318E-01 +GLN 652 CG 634 ILE 548 CA 18 0.631E+00 0.354E-02 -0.170E-01 +GLN 652 CG 634 ILE 548 C 19 0.666E+00 -0.177E-01 -0.110E-01 +GLN 652 CG 634 ILE 548 O 20 0.665E+00 0.193E-01 -0.116E-01 +GLN 652 CG 634 ILE 548 CB 21 0.771E+00 -0.146E-02 -0.517E-02 +GLN 652 CG 634 ILE 548 CG1 22 0.784E+00 -0.503E-03 -0.470E-02 +GLN 652 CG 634 ILE 548 CG2 23 0.856E+00 0.255E-02 -0.278E-02 +GLN 652 CG 634 ILE 548 CD1 24 0.934E+00 0.172E-02 -0.165E-02 +GLN 652 CG 634 VAL 549 N 26 0.735E+00 0.116E-01 -0.755E-02 +GLN 652 CG 634 VAL 549 CA 27 0.799E+00 0.115E-02 -0.420E-02 +GLN 652 CG 634 VAL 549 C 28 0.713E+00 -0.122E-01 -0.733E-02 +GLN 652 CG 634 VAL 549 O 29 0.759E+00 0.980E-02 -0.529E-02 +GLN 652 CG 634 VAL 549 CB 30 0.899E+00 -0.715E-02 -0.207E-02 +GLN 652 CG 634 VAL 549 CG1 31 0.981E+00 0.142E-02 -0.123E-02 +GLN 652 CG 634 VAL 549 CG2 32 0.101E+01 0.137E-02 -0.105E-02 +GLN 652 CG 634 GLN 550 N 34 0.614E+00 0.142E-01 -0.217E-01 +GLN 652 CG 634 GLN 550 CA 35 0.540E+00 -0.180E-02 -0.414E-01 +GLN 652 CG 634 GLN 550 C 36 0.476E+00 -0.275E-01 -0.727E-01 +GLN 652 CG 634 GLN 550 O 37 0.530E+00 0.287E-01 -0.438E-01 +GLN 652 CG 634 GLN 550 CB 38 0.460E+00 0.228E-02 -0.973E-01 +GLN 652 CG 634 GLN 550 CG 39 0.524E+00 0.104E-02 -0.488E-01 +GLN 652 CG 634 GLN 550 CD 40 0.553E+00 -0.308E-01 -0.321E-01 +GLN 652 CG 634 GLN 550 OE1 41 0.665E+00 0.196E-01 -0.116E-01 +GLN 652 CG 634 GLN 550 NE2 42 0.493E+00 0.533E-01 -0.759E-01 +GLN 652 CG 634 GLN 551 N 46 0.409E+00 0.371E-01 -0.182E+00 +GLN 652 CG 634 GLN 551 CA 47 0.409E+00 -0.356E-02 -0.158E+00 +GLN 652 CG 634 GLN 551 C 48 0.558E+00 -0.190E-01 -0.307E-01 +GLN 652 CG 634 GLN 551 O 49 0.611E+00 0.210E-01 -0.191E-01 +GLN 652 CG 634 GLN 551 CB 50 0.391E+00 0.344E-02 -0.174E+00 +GLN 652 CG 634 GLN 551 CG 51 0.464E+00 0.139E-02 -0.927E-01 +GLN 652 CG 634 GLN 551 CD 52 0.440E+00 -0.531E-01 -0.105E+00 +GLN 652 CG 634 GLN 551 OE1 53 0.410E+00 0.600E-01 -0.168E+00 +GLN 652 CG 634 GLN 551 NE2 54 0.506E+00 0.501E-01 -0.659E-01 +GLN 652 CG 634 GLN 552 N 58 0.648E+00 0.127E-01 -0.159E-01 +GLN 652 CG 634 GLN 552 CA 59 0.791E+00 -0.831E-03 -0.444E-02 +GLN 652 CG 634 GLN 552 C 60 0.844E+00 -0.841E-02 -0.267E-02 +GLN 652 CG 634 GLN 552 O 61 0.938E+00 0.956E-02 -0.149E-02 +GLN 652 CG 634 GLN 552 CB 62 0.880E+00 0.600E-03 -0.235E-02 +GLN 652 CG 634 GLN 552 CG 63 0.917E+00 0.351E-03 -0.184E-02 +GLN 652 CG 634 GLN 552 CD 64 0.102E+01 -0.996E-02 -0.857E-03 +GLN 652 CG 634 GLN 552 OE1 65 0.104E+01 0.906E-02 -0.782E-03 +GLN 652 CG 634 ASN 553 N 70 0.802E+00 0.943E-02 -0.447E-02 +GLN 652 CG 634 ASN 553 CA 71 0.870E+00 -0.860E-03 -0.252E-02 +GLN 652 CG 634 ASN 553 C 72 0.848E+00 -0.123E-01 -0.261E-02 +GLN 652 CG 634 ASN 553 O 73 0.951E+00 0.868E-02 -0.137E-02 +GLN 652 CG 634 ASN 553 CB 74 0.854E+00 0.185E-02 -0.281E-02 +GLN 652 CG 634 ASN 553 CG 75 0.975E+00 -0.933E-02 -0.113E-02 +GLN 652 CG 634 ASN 553 ND2 77 0.101E+01 0.118E-01 -0.112E-02 +GLN 652 CG 634 ASN 554 N 81 0.729E+00 0.112E-01 -0.792E-02 +GLN 652 CG 634 ASN 554 CA 82 0.733E+00 -0.116E-02 -0.702E-02 +GLN 652 CG 634 ASN 554 C 83 0.824E+00 -0.129E-01 -0.310E-02 +GLN 652 CG 634 ASN 554 O 84 0.919E+00 0.917E-02 -0.169E-02 +GLN 652 CG 634 ASN 554 CB 85 0.600E+00 0.363E-02 -0.227E-01 +GLN 652 CG 634 ASN 554 CG 86 0.538E+00 -0.287E-01 -0.376E-01 +GLN 652 CG 634 ASN 554 OD1 87 0.623E+00 0.188E-01 -0.171E-01 +GLN 652 CG 634 ASN 554 ND2 88 0.414E+00 0.727E-01 -0.174E+00 +GLN 652 CG 634 LEU 555 N 92 0.826E+00 0.740E-02 -0.374E-02 +GLN 652 CG 634 LEU 555 CA 93 0.935E+00 0.172E-02 -0.164E-02 +GLN 652 CG 634 LEU 555 CB 96 0.935E+00 0.245E-02 -0.164E-02 +GLN 652 CG 634 LEU 555 CG 97 0.834E+00 -0.394E-02 -0.326E-02 +GLN 652 CG 634 LEU 555 CD1 98 0.886E+00 0.228E-02 -0.225E-02 +GLN 652 CG 634 LEU 555 CD2 99 0.848E+00 0.245E-02 -0.293E-02 +GLN 652 CG 634 ARG 557 NE 117 0.104E+01 -0.674E-02 -0.936E-03 +GLN 652 CG 634 ARG 557 CZ 118 0.996E+00 -0.875E-02 -0.994E-03 +GLN 652 CG 634 ARG 557 NH2 120 0.878E+00 0.129E-01 -0.260E-02 +GLN 652 CG 634 ARG 557 HE 122 0.988E+00 -0.188E-02 -0.359E-04 +GLN 652 CD 635 SER 546 N 4 0.842E+00 -0.365E+00 -0.297E-02 +GLN 652 CD 635 SER 546 CA 5 0.772E+00 0.926E-01 -0.457E-02 +GLN 652 CD 635 SER 546 C 6 0.630E+00 0.561E+00 -0.134E-01 +GLN 652 CD 635 SER 546 O 7 0.610E+00 -0.723E+00 -0.171E-01 +GLN 652 CD 635 SER 546 CB 8 0.789E+00 0.111E+00 -0.401E-02 +GLN 652 CD 635 SER 546 OG 9 0.738E+00 -0.545E+00 -0.611E-02 +GLN 652 CD 635 SER 546 HG 11 0.791E+00 0.335E+00 0.000E+00 +GLN 652 CD 635 GLY 547 N 12 0.561E+00 -0.558E+00 -0.325E-01 +GLN 652 CD 635 GLY 547 CA 13 0.426E+00 -0.372E+00 -0.120E+00 +GLN 652 CD 635 GLY 547 C 14 0.445E+00 0.150E+01 -0.891E-01 +GLN 652 CD 635 GLY 547 O 15 0.380E+00 -0.198E+01 -0.197E+00 +GLN 652 CD 635 ILE 548 N 17 0.574E+00 -0.641E+00 -0.286E-01 +GLN 652 CD 635 ILE 548 CA 18 0.660E+00 -0.108E+00 -0.116E-01 +GLN 652 CD 635 ILE 548 C 19 0.697E+00 0.540E+00 -0.740E-02 +GLN 652 CD 635 ILE 548 O 20 0.719E+00 -0.555E+00 -0.649E-02 +GLN 652 CD 635 ILE 548 CB 21 0.797E+00 0.460E-01 -0.378E-02 +GLN 652 CD 635 ILE 548 CG1 22 0.807E+00 0.159E-01 -0.349E-02 +GLN 652 CD 635 ILE 548 CG2 23 0.901E+00 -0.784E-01 -0.182E-02 +GLN 652 CD 635 ILE 548 CD1 24 0.952E+00 -0.559E-01 -0.130E-02 +GLN 652 CD 635 VAL 549 N 26 0.743E+00 -0.378E+00 -0.624E-02 +GLN 652 CD 635 VAL 549 CA 27 0.807E+00 -0.377E-01 -0.351E-02 +GLN 652 CD 635 VAL 549 C 28 0.722E+00 0.397E+00 -0.602E-02 +GLN 652 CD 635 VAL 549 O 29 0.781E+00 -0.311E+00 -0.396E-02 +GLN 652 CD 635 VAL 549 CB 30 0.885E+00 0.245E+00 -0.202E-02 +GLN 652 CD 635 VAL 549 CG1 31 0.966E+00 -0.486E-01 -0.119E-02 +GLN 652 CD 635 VAL 549 CG2 32 0.996E+00 -0.465E-01 -0.997E-03 +GLN 652 CD 635 GLN 550 N 34 0.607E+00 -0.487E+00 -0.207E-01 +GLN 652 CD 635 GLN 550 CA 35 0.530E+00 0.628E-01 -0.407E-01 +GLN 652 CD 635 GLN 550 C 36 0.508E+00 0.786E+00 -0.458E-01 +GLN 652 CD 635 GLN 550 O 37 0.573E+00 -0.804E+00 -0.247E-01 +GLN 652 CD 635 GLN 550 CB 38 0.415E+00 -0.986E-01 -0.133E+00 +GLN 652 CD 635 GLN 550 CG 39 0.448E+00 -0.507E-01 -0.970E-01 +GLN 652 CD 635 GLN 550 CD 40 0.498E+00 0.131E+01 -0.511E-01 +GLN 652 CD 635 GLN 550 OE1 41 0.617E+00 -0.762E+00 -0.160E-01 +GLN 652 CD 635 GLN 550 NE2 42 0.446E+00 -0.227E+01 -0.112E+00 +GLN 652 CD 635 GLN 551 N 46 0.468E+00 -0.884E+00 -0.882E-01 +GLN 652 CD 635 GLN 551 CA 47 0.509E+00 0.691E-01 -0.511E-01 +GLN 652 CD 635 GLN 551 C 48 0.659E+00 0.445E+00 -0.103E-01 +GLN 652 CD 635 GLN 551 O 49 0.723E+00 -0.500E+00 -0.625E-02 +GLN 652 CD 635 GLN 551 CB 50 0.505E+00 -0.609E-01 -0.535E-01 +GLN 652 CD 635 GLN 551 CG 51 0.599E+00 -0.259E-01 -0.204E-01 +GLN 652 CD 635 GLN 551 CD 52 0.589E+00 0.897E+00 -0.199E-01 +GLN 652 CD 635 GLN 551 OE1 53 0.557E+00 -0.952E+00 -0.291E-01 +GLN 652 CD 635 GLN 551 NE2 54 0.655E+00 -0.950E+00 -0.133E-01 +GLN 652 CD 635 GLN 552 N 58 0.734E+00 -0.333E+00 -0.671E-02 +GLN 652 CD 635 GLN 552 CA 59 0.879E+00 0.232E-01 -0.211E-02 +GLN 652 CD 635 GLN 552 C 60 0.926E+00 0.242E+00 -0.136E-02 +GLN 652 CD 635 GLN 552 O 61 0.103E+01 -0.279E+00 -0.765E-03 +GLN 652 CD 635 GLN 552 CB 62 0.954E+00 -0.176E-01 -0.129E-02 +GLN 652 CD 635 GLN 552 CG 63 0.999E+00 -0.103E-01 -0.975E-03 +GLN 652 CD 635 ASN 553 N 70 0.868E+00 -0.276E+00 -0.248E-02 +GLN 652 CD 635 ASN 553 CA 71 0.927E+00 0.259E-01 -0.153E-02 +GLN 652 CD 635 ASN 553 C 72 0.918E+00 0.361E+00 -0.144E-02 +GLN 652 CD 635 ASN 553 O 73 0.102E+01 -0.260E+00 -0.782E-03 +GLN 652 CD 635 ASN 553 CB 74 0.888E+00 -0.580E-01 -0.198E-02 +GLN 652 CD 635 ASN 553 CG 75 0.100E+01 0.300E+00 -0.859E-03 +GLN 652 CD 635 ASN 553 ND2 77 0.102E+01 -0.392E+00 -0.957E-03 +GLN 652 CD 635 ASN 554 N 81 0.806E+00 -0.312E+00 -0.384E-02 +GLN 652 CD 635 ASN 554 CA 82 0.821E+00 0.316E-01 -0.315E-02 +GLN 652 CD 635 ASN 554 C 83 0.929E+00 0.355E+00 -0.134E-02 +GLN 652 CD 635 ASN 554 O 84 0.102E+01 -0.260E+00 -0.782E-03 +GLN 652 CD 635 ASN 554 CB 85 0.696E+00 -0.896E-01 -0.845E-02 +GLN 652 CD 635 ASN 554 CG 86 0.607E+00 0.735E+00 -0.167E-01 +GLN 652 CD 635 ASN 554 OD1 87 0.671E+00 -0.540E+00 -0.980E-02 +GLN 652 CD 635 ASN 554 ND2 88 0.478E+00 -0.170E+01 -0.790E-01 +GLN 652 CD 635 LEU 555 N 92 0.940E+00 -0.200E+00 -0.153E-02 +GLN 652 CD 635 LEU 555 CG 97 0.969E+00 0.103E+00 -0.117E-02 +GLN 652 CD 635 LEU 555 CD1 98 0.102E+01 -0.613E-01 -0.858E-03 +GLN 652 CD 635 LEU 555 CD2 99 0.991E+00 -0.640E-01 -0.102E-02 +GLN 652 CD 635 ARG 557 CZ 118 0.103E+01 0.280E+00 -0.742E-03 +GLN 652 CD 635 ARG 557 NH2 120 0.898E+00 -0.416E+00 -0.202E-02 +GLN 652 CD 635 ARG 557 HE 122 0.103E+01 0.592E-01 -0.252E-04 +GLN 652 OE1 636 SER 546 N 4 0.875E+00 0.322E+00 -0.245E-02 +GLN 652 OE1 636 SER 546 CA 5 0.788E+00 -0.839E-01 -0.424E-02 +GLN 652 OE1 636 SER 546 C 6 0.651E+00 -0.493E+00 -0.116E-01 +GLN 652 OE1 636 SER 546 O 7 0.620E+00 0.657E+00 -0.159E-01 +GLN 652 OE1 636 SER 546 CB 8 0.789E+00 -0.104E+00 -0.420E-02 +GLN 652 OE1 636 SER 546 OG 9 0.748E+00 0.500E+00 -0.582E-02 +GLN 652 OE1 636 SER 546 HG 11 0.811E+00 -0.302E+00 0.000E+00 +GLN 652 OE1 636 GLY 547 N 12 0.601E+00 0.452E+00 -0.229E-01 +GLN 652 OE1 636 GLY 547 CA 13 0.481E+00 0.259E+00 -0.753E-01 +GLN 652 OE1 636 GLY 547 C 14 0.514E+00 -0.997E+00 -0.463E-01 +GLN 652 OE1 636 GLY 547 O 15 0.450E+00 0.120E+01 -0.102E+00 +GLN 652 OE1 636 ILE 548 N 17 0.646E+00 0.469E+00 -0.150E-01 +GLN 652 OE1 636 ILE 548 CA 18 0.735E+00 0.823E-01 -0.641E-02 +GLN 652 OE1 636 ILE 548 C 19 0.754E+00 -0.438E+00 -0.489E-02 +GLN 652 OE1 636 ILE 548 O 20 0.774E+00 0.455E+00 -0.425E-02 +GLN 652 OE1 636 ILE 548 CB 21 0.876E+00 -0.368E-01 -0.224E-02 +GLN 652 OE1 636 ILE 548 CG1 22 0.900E+00 -0.125E-01 -0.191E-02 +GLN 652 OE1 636 ILE 548 CG2 23 0.980E+00 0.647E-01 -0.115E-02 +GLN 652 OE1 636 ILE 548 CD1 24 0.104E+01 0.458E-01 -0.785E-03 +GLN 652 OE1 636 VAL 549 N 26 0.784E+00 0.323E+00 -0.471E-02 +GLN 652 OE1 636 VAL 549 CA 27 0.829E+00 0.338E-01 -0.312E-02 +GLN 652 OE1 636 VAL 549 C 28 0.730E+00 -0.365E+00 -0.593E-02 +GLN 652 OE1 636 VAL 549 O 29 0.781E+00 0.293E+00 -0.404E-02 +GLN 652 OE1 636 VAL 549 CB 30 0.896E+00 -0.226E+00 -0.197E-02 +GLN 652 OE1 636 VAL 549 CG1 31 0.961E+00 0.461E-01 -0.129E-02 +GLN 652 OE1 636 VAL 549 CG2 32 0.102E+01 0.424E-01 -0.919E-03 +GLN 652 OE1 636 GLN 550 N 34 0.609E+00 0.454E+00 -0.211E-01 +GLN 652 OE1 636 GLN 550 CA 35 0.512E+00 -0.639E-01 -0.530E-01 +GLN 652 OE1 636 GLN 550 C 36 0.504E+00 -0.752E+00 -0.516E-01 +GLN 652 OE1 636 GLN 550 O 37 0.556E+00 0.809E+00 -0.303E-01 +GLN 652 OE1 636 GLN 550 CB 38 0.389E+00 0.110E+00 -0.205E+00 +GLN 652 OE1 636 GLN 550 CG 39 0.382E+00 0.718E-01 -0.218E+00 +GLN 652 OE1 636 GLN 550 CD 40 0.414E+00 -0.195E+01 -0.143E+00 +GLN 652 OE1 636 GLN 550 OE1 41 0.535E+00 0.983E+00 -0.382E-01 +GLN 652 OE1 636 GLN 550 NE2 42 0.350E+00 0.402E+01 -0.306E+00 +GLN 652 OE1 636 GLN 551 N 46 0.496E+00 0.720E+00 -0.691E-01 +GLN 652 OE1 636 GLN 551 CA 47 0.552E+00 -0.539E-01 -0.348E-01 +GLN 652 OE1 636 GLN 551 C 48 0.694E+00 -0.377E+00 -0.801E-02 +GLN 652 OE1 636 GLN 551 O 49 0.752E+00 0.437E+00 -0.504E-02 +GLN 652 OE1 636 GLN 551 CB 50 0.579E+00 0.420E-01 -0.264E-01 +GLN 652 OE1 636 GLN 551 CG 51 0.682E+00 0.187E-01 -0.100E-01 +GLN 652 OE1 636 GLN 551 CD 52 0.666E+00 -0.652E+00 -0.102E-01 +GLN 652 OE1 636 GLN 551 OE1 53 0.616E+00 0.721E+00 -0.166E-01 +GLN 652 OE1 636 GLN 551 NE2 54 0.741E+00 0.703E+00 -0.663E-02 +GLN 652 OE1 636 GLN 552 N 58 0.769E+00 0.287E+00 -0.528E-02 +GLN 652 OE1 636 GLN 552 CA 59 0.909E+00 -0.207E-01 -0.180E-02 +GLN 652 OE1 636 GLN 552 C 60 0.938E+00 -0.223E+00 -0.132E-02 +GLN 652 OE1 636 GLN 552 O 61 0.104E+01 0.259E+00 -0.734E-03 +GLN 652 OE1 636 GLN 552 CB 62 0.986E+00 0.158E-01 -0.111E-02 +GLN 652 OE1 636 GLN 552 CG 63 0.105E+01 0.903E-02 -0.768E-03 +GLN 652 OE1 636 ASN 553 N 70 0.865E+00 0.261E+00 -0.263E-02 +GLN 652 OE1 636 ASN 553 CA 71 0.907E+00 -0.253E-01 -0.183E-02 +GLN 652 OE1 636 ASN 553 C 72 0.895E+00 -0.354E+00 -0.175E-02 +GLN 652 OE1 636 ASN 553 O 73 0.997E+00 0.254E+00 -0.931E-03 +GLN 652 OE1 636 ASN 553 CB 74 0.851E+00 0.585E-01 -0.268E-02 +GLN 652 OE1 636 ASN 553 CG 75 0.950E+00 -0.304E+00 -0.122E-02 +GLN 652 OE1 636 ASN 553 OD1 76 0.105E+01 0.239E+00 -0.702E-03 +GLN 652 OE1 636 ASN 553 ND2 77 0.955E+00 0.405E+00 -0.145E-02 +GLN 652 OE1 636 ASN 554 N 81 0.789E+00 0.305E+00 -0.456E-02 +GLN 652 OE1 636 ASN 554 CA 82 0.803E+00 -0.310E-01 -0.379E-02 +GLN 652 OE1 636 ASN 554 C 83 0.924E+00 -0.336E+00 -0.145E-02 +GLN 652 OE1 636 ASN 554 O 84 0.101E+01 0.248E+00 -0.843E-03 +GLN 652 OE1 636 ASN 554 CB 85 0.682E+00 0.875E-01 -0.998E-02 +GLN 652 OE1 636 ASN 554 CG 86 0.572E+00 -0.784E+00 -0.249E-01 +GLN 652 OE1 636 ASN 554 OD1 87 0.616E+00 0.605E+00 -0.166E-01 +GLN 652 OE1 636 ASN 554 ND2 88 0.449E+00 0.186E+01 -0.120E+00 +GLN 652 OE1 636 LEU 555 N 92 0.950E+00 0.185E+00 -0.149E-02 +GLN 652 OE1 636 LEU 555 CG 97 0.102E+01 -0.906E-01 -0.925E-03 +GLN 652 OE1 636 LEU 555 CD2 99 0.104E+01 0.561E-01 -0.806E-03 +GLN 652 OE1 636 ARG 557 NE 117 0.101E+01 -0.220E+00 -0.101E-02 +GLN 652 OE1 636 ARG 557 CZ 118 0.950E+00 -0.295E+00 -0.122E-02 +GLN 652 OE1 636 ARG 557 NH1 119 0.103E+01 0.317E+00 -0.919E-03 +GLN 652 OE1 636 ARG 557 NH2 120 0.819E+00 0.455E+00 -0.362E-02 +GLN 652 OE1 636 ARG 557 HE 122 0.967E+00 -0.609E-01 -0.304E-04 +GLN 652 NE2 637 SER 546 N 4 0.764E+00 0.571E+00 -0.648E-02 +GLN 652 NE2 637 SER 546 CA 5 0.709E+00 -0.143E+00 -0.934E-02 +GLN 652 NE2 637 SER 546 C 6 0.575E+00 -0.903E+00 -0.283E-01 +GLN 652 NE2 637 SER 546 O 7 0.580E+00 0.106E+01 -0.281E-01 +GLN 652 NE2 637 SER 546 CB 8 0.722E+00 -0.173E+00 -0.838E-02 +GLN 652 NE2 637 SER 546 OG 9 0.653E+00 0.913E+00 -0.155E-01 +GLN 652 NE2 637 SER 546 HG 11 0.695E+00 -0.562E+00 0.000E+00 +GLN 652 NE2 637 GLY 547 N 12 0.485E+00 0.103E+01 -0.907E-01 +GLN 652 NE2 637 GLY 547 CA 13 0.352E+00 0.813E+00 -0.183E+00 +GLN 652 NE2 637 GLY 547 C 14 0.400E+00 -0.260E+01 -0.173E+00 +GLN 652 NE2 637 GLY 547 O 15 0.370E+00 0.281E+01 -0.280E+00 +GLN 652 NE2 637 ILE 548 N 17 0.524E+00 0.104E+01 -0.592E-01 +GLN 652 NE2 637 ILE 548 CA 18 0.629E+00 0.158E+00 -0.189E-01 +GLN 652 NE2 637 ILE 548 C 19 0.690E+00 -0.729E+00 -0.973E-02 +GLN 652 NE2 637 ILE 548 O 20 0.731E+00 0.710E+00 -0.716E-02 +GLN 652 NE2 637 ILE 548 CB 21 0.751E+00 -0.675E-01 -0.660E-02 +GLN 652 NE2 637 ILE 548 CG1 22 0.744E+00 -0.244E-01 -0.699E-02 +GLN 652 NE2 637 ILE 548 CG2 23 0.870E+00 0.110E+00 -0.276E-02 +GLN 652 NE2 637 ILE 548 CD1 24 0.880E+00 0.836E-01 -0.257E-02 +GLN 652 NE2 637 VAL 549 N 26 0.732E+00 0.515E+00 -0.841E-02 +GLN 652 NE2 637 VAL 549 CA 27 0.813E+00 0.492E-01 -0.414E-02 +GLN 652 NE2 637 VAL 549 C 28 0.749E+00 -0.489E+00 -0.595E-02 +GLN 652 NE2 637 VAL 549 O 29 0.825E+00 0.374E+00 -0.348E-02 +GLN 652 NE2 637 VAL 549 CB 30 0.882E+00 -0.326E+00 -0.254E-02 +GLN 652 NE2 637 VAL 549 CG1 31 0.978E+00 0.632E-01 -0.137E-02 +GLN 652 NE2 637 VAL 549 CG2 32 0.979E+00 0.630E-01 -0.136E-02 +GLN 652 NE2 637 GLN 550 N 34 0.632E+00 0.590E+00 -0.199E-01 +GLN 652 NE2 637 GLN 550 CA 35 0.581E+00 -0.676E-01 -0.300E-01 +GLN 652 NE2 637 GLN 550 C 36 0.580E+00 -0.768E+00 -0.268E-01 +GLN 652 NE2 637 GLN 550 O 37 0.663E+00 0.783E+00 -0.128E-01 +GLN 652 NE2 637 GLN 550 CB 38 0.456E+00 0.103E+00 -0.113E+00 +GLN 652 NE2 637 GLN 550 CG 39 0.493E+00 0.531E-01 -0.751E-01 +GLN 652 NE2 637 GLN 550 CD 40 0.573E+00 -0.126E+01 -0.287E-01 +GLN 652 NE2 637 GLN 550 OE1 41 0.692E+00 0.799E+00 -0.990E-02 +GLN 652 NE2 637 GLN 550 NE2 42 0.543E+00 0.188E+01 -0.485E-01 +GLN 652 NE2 637 GLN 551 N 46 0.530E+00 0.867E+00 -0.554E-01 +GLN 652 NE2 637 GLN 551 CA 47 0.582E+00 -0.674E-01 -0.297E-01 +GLN 652 NE2 637 GLN 551 C 48 0.733E+00 -0.477E+00 -0.675E-02 +GLN 652 NE2 637 GLN 551 O 49 0.810E+00 0.537E+00 -0.387E-02 +GLN 652 NE2 637 GLN 551 CB 50 0.553E+00 0.653E-01 -0.400E-01 +GLN 652 NE2 637 GLN 551 CG 51 0.647E+00 0.291E-01 -0.160E-01 +GLN 652 NE2 637 GLN 551 CD 52 0.655E+00 -0.950E+00 -0.133E-01 +GLN 652 NE2 637 GLN 551 OE1 53 0.644E+00 0.922E+00 -0.152E-01 +GLN 652 NE2 637 GLN 551 NE2 54 0.710E+00 0.107E+01 -0.100E-01 +GLN 652 NE2 637 GLN 552 N 58 0.795E+00 0.381E+00 -0.514E-02 +GLN 652 NE2 637 GLN 552 CA 59 0.941E+00 -0.275E-01 -0.172E-02 +GLN 652 NE2 637 GLN 552 C 60 0.100E+01 -0.283E+00 -0.104E-02 +GLN 652 NE2 637 GLN 552 CB 62 0.100E+01 0.217E-01 -0.119E-02 +GLN 652 NE2 637 GLN 552 CG 63 0.103E+01 0.129E-01 -0.979E-03 +GLN 652 NE2 637 ASN 553 N 70 0.947E+00 0.317E+00 -0.180E-02 +GLN 652 NE2 637 ASN 553 CA 71 0.102E+01 -0.298E-01 -0.108E-02 +GLN 652 NE2 637 ASN 553 C 72 0.102E+01 -0.406E+00 -0.936E-03 +GLN 652 NE2 637 ASN 553 CB 74 0.976E+00 0.661E-01 -0.138E-02 +GLN 652 NE2 637 ASN 554 N 81 0.914E+00 0.335E+00 -0.223E-02 +GLN 652 NE2 637 ASN 554 CA 82 0.939E+00 -0.336E-01 -0.174E-02 +GLN 652 NE2 637 ASN 554 C 83 0.104E+01 -0.394E+00 -0.825E-03 +GLN 652 NE2 637 ASN 554 CB 85 0.817E+00 0.882E-01 -0.401E-02 +GLN 652 NE2 637 ASN 554 CG 86 0.732E+00 -0.667E+00 -0.682E-02 +GLN 652 NE2 637 ASN 554 OD1 87 0.797E+00 0.516E+00 -0.427E-02 +GLN 652 NE2 637 ASN 554 ND2 88 0.601E+00 0.133E+01 -0.269E-01 +GLN 652 NE2 637 LEU 555 N 92 0.104E+01 0.226E+00 -0.100E-02 +GLN 652 NE2 637 LEU 555 CG 97 0.105E+01 -0.122E+00 -0.897E-03 +GLN 652 NE2 637 ARG 557 NH2 120 0.102E+01 0.453E+00 -0.116E-02 +GLN 653 N 641 SER 546 C 6 0.104E+01 -0.136E+00 -0.834E-03 +GLN 653 N 641 SER 546 O 7 0.103E+01 0.165E+00 -0.907E-03 +GLN 653 N 641 GLY 547 N 12 0.945E+00 0.121E+00 -0.182E-02 +GLN 653 N 641 GLY 547 CA 13 0.802E+00 0.548E-01 -0.448E-02 +GLN 653 N 641 GLY 547 C 14 0.755E+00 -0.275E+00 -0.569E-02 +GLN 653 N 641 GLY 547 O 15 0.680E+00 0.294E+00 -0.110E-01 +GLN 653 N 641 ILE 548 N 17 0.831E+00 0.180E+00 -0.394E-02 +GLN 653 N 641 ILE 548 CA 18 0.853E+00 0.390E-01 -0.310E-02 +GLN 653 N 641 ILE 548 C 19 0.927E+00 -0.190E+00 -0.167E-02 +GLN 653 N 641 ILE 548 O 20 0.908E+00 0.214E+00 -0.195E-02 +GLN 653 N 641 ILE 548 CB 21 0.957E+00 -0.197E-01 -0.155E-02 +GLN 653 N 641 ILE 548 CG1 22 0.917E+00 -0.747E-02 -0.200E-02 +GLN 653 N 641 ILE 548 CG2 23 0.102E+01 0.378E-01 -0.109E-02 +GLN 653 N 641 ILE 548 CD1 24 0.105E+01 0.281E-01 -0.904E-03 +GLN 653 N 641 VAL 549 N 26 0.103E+01 0.128E+00 -0.108E-02 +GLN 653 N 641 GLN 550 N 34 0.984E+00 0.118E+00 -0.143E-02 +GLN 653 N 641 GLN 550 CA 35 0.932E+00 -0.123E-01 -0.182E-02 +GLN 653 N 641 GLN 550 C 36 0.838E+00 -0.165E+00 -0.306E-02 +GLN 653 N 641 GLN 550 O 37 0.875E+00 0.207E+00 -0.244E-02 +GLN 653 N 641 GLN 550 CB 38 0.872E+00 0.118E-01 -0.272E-02 +GLN 653 N 641 GLN 550 CG 39 0.947E+00 0.646E-02 -0.166E-02 +GLN 653 N 641 GLN 550 CD 40 0.969E+00 -0.208E+00 -0.128E-02 +GLN 653 N 641 GLN 550 NE2 42 0.893E+00 0.313E+00 -0.257E-02 +GLN 653 N 641 GLN 551 N 46 0.737E+00 0.192E+00 -0.808E-02 +GLN 653 N 641 GLN 551 CA 47 0.663E+00 -0.225E-01 -0.139E-01 +GLN 653 N 641 GLN 551 C 48 0.777E+00 -0.188E+00 -0.478E-02 +GLN 653 N 641 GLN 551 O 49 0.794E+00 0.244E+00 -0.436E-02 +GLN 653 N 641 GLN 551 CB 50 0.575E+00 0.262E-01 -0.319E-01 +GLN 653 N 641 GLN 551 CG 51 0.521E+00 0.205E-01 -0.559E-01 +GLN 653 N 641 GLN 551 CD 52 0.431E+00 -0.108E+01 -0.130E+00 +GLN 653 N 641 GLN 551 OE1 53 0.458E+00 0.875E+00 -0.107E+00 +GLN 653 N 641 GLN 551 NE2 54 0.371E+00 0.212E+01 -0.274E+00 +GLN 653 N 641 GLN 552 N 58 0.880E+00 0.140E+00 -0.279E-02 +GLN 653 N 641 GLN 552 CA 59 0.101E+01 -0.109E-01 -0.115E-02 +GLN 653 N 641 ASN 554 N 81 0.984E+00 0.131E+00 -0.143E-02 +GLN 653 N 641 ASN 554 CA 82 0.946E+00 -0.146E-01 -0.167E-02 +GLN 653 N 641 ASN 554 C 83 0.980E+00 -0.189E+00 -0.120E-02 +GLN 653 N 641 ASN 554 CB 85 0.803E+00 0.398E-01 -0.444E-02 +GLN 653 N 641 ASN 554 CG 86 0.804E+00 -0.247E+00 -0.391E-02 +GLN 653 N 641 ASN 554 OD1 87 0.904E+00 0.183E+00 -0.201E-02 +GLN 653 N 641 ASN 554 ND2 88 0.719E+00 0.405E+00 -0.930E-02 +GLN 653 N 641 LEU 555 N 92 0.965E+00 0.111E+00 -0.161E-02 +GLN 653 N 641 LEU 555 CA 93 0.103E+01 0.289E-01 -0.102E-02 +GLN 653 N 641 LEU 555 CB 96 0.101E+01 0.424E-01 -0.115E-02 +GLN 653 N 641 LEU 555 CG 97 0.871E+00 -0.708E-01 -0.273E-02 +GLN 653 N 641 LEU 555 CD1 98 0.902E+00 0.428E-01 -0.221E-02 +GLN 653 N 641 LEU 555 CD2 99 0.827E+00 0.495E-01 -0.373E-02 +GLN 653 CA 642 GLY 547 N 12 0.986E+00 -0.109E-01 -0.130E-02 +GLN 653 CA 642 GLY 547 CA 13 0.848E+00 -0.475E-02 -0.293E-02 +GLN 653 CA 642 GLY 547 C 14 0.792E+00 0.241E-01 -0.391E-02 +GLN 653 CA 642 GLY 547 O 15 0.729E+00 -0.246E-01 -0.674E-02 +GLN 653 CA 642 ILE 548 N 17 0.849E+00 -0.166E-01 -0.319E-02 +GLN 653 CA 642 ILE 548 CA 18 0.858E+00 -0.369E-02 -0.274E-02 +GLN 653 CA 642 ILE 548 C 19 0.945E+00 0.176E-01 -0.136E-02 +GLN 653 CA 642 ILE 548 O 20 0.928E+00 -0.198E-01 -0.159E-02 +GLN 653 CA 642 ILE 548 CB 21 0.943E+00 0.193E-02 -0.155E-02 +GLN 653 CA 642 ILE 548 CG1 22 0.887E+00 0.753E-03 -0.224E-02 +GLN 653 CA 642 ILE 548 CG2 23 0.993E+00 -0.374E-02 -0.114E-02 +GLN 653 CA 642 ILE 548 CD1 24 0.101E+01 -0.285E-02 -0.106E-02 +GLN 653 CA 642 GLN 550 N 34 0.105E+01 -0.103E-01 -0.906E-03 +GLN 653 CA 642 GLN 550 CA 35 0.101E+01 0.103E-02 -0.102E-02 +GLN 653 CA 642 GLN 550 C 36 0.918E+00 0.136E-01 -0.162E-02 +GLN 653 CA 642 GLN 550 O 37 0.962E+00 -0.170E-01 -0.128E-02 +GLN 653 CA 642 GLN 550 CB 38 0.959E+00 -0.969E-03 -0.141E-02 +GLN 653 CA 642 GLN 550 CG 39 0.105E+01 -0.532E-03 -0.828E-03 +GLN 653 CA 642 GLN 550 NE2 42 0.101E+01 -0.246E-01 -0.111E-02 +GLN 653 CA 642 GLN 551 N 46 0.804E+00 -0.156E-01 -0.439E-02 +GLN 653 CA 642 GLN 551 CA 47 0.724E+00 0.181E-02 -0.752E-02 +GLN 653 CA 642 GLN 551 C 48 0.828E+00 0.161E-01 -0.300E-02 +GLN 653 CA 642 GLN 551 O 49 0.848E+00 -0.208E-01 -0.273E-02 +GLN 653 CA 642 GLN 551 CB 50 0.613E+00 -0.219E-02 -0.201E-01 +GLN 653 CA 642 GLN 551 CG 51 0.536E+00 -0.183E-02 -0.433E-01 +GLN 653 CA 642 GLN 551 CD 52 0.464E+00 0.860E-01 -0.821E-01 +GLN 653 CA 642 GLN 551 OE1 53 0.523E+00 -0.609E-01 -0.473E-01 +GLN 653 CA 642 GLN 551 NE2 54 0.377E+00 -0.194E+00 -0.221E+00 +GLN 653 CA 642 GLN 552 N 58 0.921E+00 -0.125E-01 -0.196E-02 +GLN 653 CA 642 GLN 552 CA 59 0.104E+01 0.993E-03 -0.862E-03 +GLN 653 CA 642 ASN 554 CA 82 0.104E+01 0.122E-02 -0.891E-03 +GLN 653 CA 642 ASN 554 CB 85 0.900E+00 -0.314E-02 -0.206E-02 +GLN 653 CA 642 ASN 554 CG 86 0.915E+00 0.190E-01 -0.165E-02 +GLN 653 CA 642 ASN 554 OD1 87 0.102E+01 -0.145E-01 -0.894E-03 +GLN 653 CA 642 ASN 554 ND2 88 0.832E+00 -0.298E-01 -0.360E-02 +GLN 653 CA 642 LEU 555 N 92 0.102E+01 -0.975E-02 -0.104E-02 +GLN 653 CA 642 LEU 555 CB 96 0.103E+01 -0.391E-02 -0.902E-03 +GLN 653 CA 642 LEU 555 CG 97 0.888E+00 0.656E-02 -0.222E-02 +GLN 653 CA 642 LEU 555 CD1 98 0.897E+00 -0.414E-02 -0.210E-02 +GLN 653 CA 642 LEU 555 CD2 99 0.844E+00 -0.458E-02 -0.303E-02 +GLN 653 C 643 GLY 547 N 12 0.102E+01 -0.117E+00 -0.928E-03 +GLN 653 C 643 GLY 547 CA 13 0.890E+00 -0.498E-01 -0.195E-02 +GLN 653 C 643 GLY 547 C 14 0.853E+00 0.240E+00 -0.223E-02 +GLN 653 C 643 GLY 547 O 15 0.807E+00 -0.232E+00 -0.326E-02 +GLN 653 C 643 ILE 548 N 17 0.908E+00 -0.168E+00 -0.189E-02 +GLN 653 C 643 ILE 548 CA 18 0.932E+00 -0.366E-01 -0.148E-02 +GLN 653 C 643 ILE 548 C 19 0.103E+01 0.175E+00 -0.705E-03 +GLN 653 C 643 ILE 548 O 20 0.103E+01 -0.191E+00 -0.751E-03 +GLN 653 C 643 ILE 548 CB 21 0.101E+01 0.198E-01 -0.941E-03 +GLN 653 C 643 ILE 548 CG1 22 0.930E+00 0.792E-02 -0.150E-02 +GLN 653 C 643 ILE 548 CD1 24 0.104E+01 -0.309E-01 -0.786E-03 +GLN 653 C 643 GLN 550 C 36 0.103E+01 0.129E+00 -0.723E-03 +GLN 653 C 643 GLN 550 CB 38 0.104E+01 -0.970E-02 -0.754E-03 +GLN 653 C 643 GLN 551 N 46 0.918E+00 -0.142E+00 -0.177E-02 +GLN 653 C 643 GLN 551 CA 47 0.852E+00 0.153E-01 -0.254E-02 +GLN 653 C 643 GLN 551 C 48 0.963E+00 0.143E+00 -0.108E-02 +GLN 653 C 643 GLN 551 O 49 0.991E+00 -0.184E+00 -0.950E-03 +GLN 653 C 643 GLN 551 CB 50 0.736E+00 -0.172E-01 -0.605E-02 +GLN 653 C 643 GLN 551 CG 51 0.671E+00 -0.128E-01 -0.104E-01 +GLN 653 C 643 GLN 551 CD 52 0.611E+00 0.519E+00 -0.160E-01 +GLN 653 C 643 GLN 551 OE1 53 0.669E+00 -0.405E+00 -0.994E-02 +GLN 653 C 643 GLN 551 NE2 54 0.527E+00 -0.953E+00 -0.464E-01 +GLN 653 C 643 ASN 554 CB 85 0.104E+01 -0.287E-01 -0.775E-03 +GLN 653 C 643 ASN 554 CG 86 0.104E+01 0.177E+00 -0.672E-03 +GLN 653 C 643 ASN 554 ND2 88 0.952E+00 -0.271E+00 -0.142E-02 +GLN 653 C 643 LEU 555 CG 97 0.104E+01 0.586E-01 -0.779E-03 +GLN 653 C 643 LEU 555 CD1 98 0.104E+01 -0.374E-01 -0.767E-03 +GLN 653 C 643 LEU 555 CD2 99 0.994E+00 -0.400E-01 -0.101E-02 +GLN 653 O 644 GLY 547 N 12 0.997E+00 0.163E+00 -0.112E-02 +GLN 653 O 644 GLY 547 CA 13 0.873E+00 0.692E-01 -0.229E-02 +GLN 653 O 644 GLY 547 C 14 0.839E+00 -0.333E+00 -0.259E-02 +GLN 653 O 644 GLY 547 O 15 0.808E+00 0.312E+00 -0.329E-02 +GLN 653 O 644 ILE 548 N 17 0.879E+00 0.239E+00 -0.237E-02 +GLN 653 O 644 ILE 548 CA 18 0.903E+00 0.518E-01 -0.187E-02 +GLN 653 O 644 ILE 548 C 19 0.102E+01 -0.241E+00 -0.808E-03 +GLN 653 O 644 ILE 548 O 20 0.102E+01 0.260E+00 -0.792E-03 +GLN 653 O 644 ILE 548 CB 21 0.960E+00 -0.286E-01 -0.130E-02 +GLN 653 O 644 ILE 548 CG1 22 0.869E+00 -0.119E-01 -0.235E-02 +GLN 653 O 644 ILE 548 CG2 23 0.102E+01 0.546E-01 -0.887E-03 +GLN 653 O 644 ILE 548 CD1 24 0.963E+00 0.464E-01 -0.128E-02 +GLN 653 O 644 GLN 551 N 46 0.947E+00 0.182E+00 -0.152E-02 +GLN 653 O 644 GLN 551 CA 47 0.889E+00 -0.193E-01 -0.205E-02 +GLN 653 O 644 GLN 551 C 48 0.100E+01 -0.182E+00 -0.897E-03 +GLN 653 O 644 GLN 551 O 49 0.104E+01 0.232E+00 -0.727E-03 +GLN 653 O 644 GLN 551 CB 50 0.761E+00 0.218E-01 -0.519E-02 +GLN 653 O 644 GLN 551 CG 51 0.701E+00 0.159E-01 -0.848E-02 +GLN 653 O 644 GLN 551 CD 52 0.666E+00 -0.588E+00 -0.103E-01 +GLN 653 O 644 GLN 551 OE1 53 0.737E+00 0.453E+00 -0.569E-02 +GLN 653 O 644 GLN 551 NE2 54 0.586E+00 0.101E+01 -0.266E-01 +GLN 653 O 644 ASN 554 ND2 88 0.102E+01 0.329E+00 -0.960E-03 +GLN 653 CB 645 GLY 547 CA 13 0.981E+00 0.327E-02 -0.123E-02 +GLN 653 CB 645 GLY 547 C 14 0.912E+00 -0.165E-01 -0.169E-02 +GLN 653 CB 645 GLY 547 O 15 0.841E+00 0.165E-01 -0.287E-02 +GLN 653 CB 645 ILE 548 N 17 0.962E+00 0.118E-01 -0.151E-02 +GLN 653 CB 645 ILE 548 CA 18 0.955E+00 0.269E-02 -0.145E-02 +GLN 653 CB 645 ILE 548 C 19 0.103E+01 -0.134E-01 -0.803E-03 +GLN 653 CB 645 ILE 548 O 20 0.100E+01 0.153E-01 -0.102E-02 +GLN 653 CB 645 ILE 548 CB 21 0.104E+01 -0.145E-02 -0.882E-03 +GLN 653 CB 645 ILE 548 CG1 22 0.986E+00 -0.553E-03 -0.120E-02 +GLN 653 CB 645 GLN 550 C 36 0.996E+00 -0.104E-01 -0.994E-03 +GLN 653 CB 645 GLN 550 O 37 0.103E+01 0.134E-01 -0.865E-03 +GLN 653 CB 645 GLN 551 N 46 0.883E+00 0.116E-01 -0.253E-02 +GLN 653 CB 645 GLN 551 CA 47 0.783E+00 -0.136E-02 -0.473E-02 +GLN 653 CB 645 GLN 551 C 48 0.867E+00 -0.129E-01 -0.229E-02 +GLN 653 CB 645 GLN 551 O 49 0.868E+00 0.173E-01 -0.237E-02 +GLN 653 CB 645 GLN 551 CB 50 0.676E+00 0.155E-02 -0.113E-01 +GLN 653 CB 645 GLN 551 CG 51 0.571E+00 0.138E-02 -0.303E-01 +GLN 653 CB 645 GLN 551 CD 52 0.480E+00 -0.686E-01 -0.694E-01 +GLN 653 CB 645 GLN 551 OE1 53 0.540E+00 0.490E-01 -0.394E-01 +GLN 653 CB 645 GLN 551 NE2 54 0.364E+00 0.184E+00 -0.216E+00 +GLN 653 CB 645 GLN 552 N 58 0.964E+00 0.101E-01 -0.149E-02 +GLN 653 CB 645 ASN 554 CA 82 0.105E+01 -0.104E-02 -0.834E-03 +GLN 653 CB 645 ASN 554 C 83 0.105E+01 -0.142E-01 -0.741E-03 +GLN 653 CB 645 ASN 554 CB 85 0.917E+00 0.264E-02 -0.184E-02 +GLN 653 CB 645 ASN 554 CG 86 0.953E+00 -0.154E-01 -0.130E-02 +GLN 653 CB 645 ASN 554 ND2 88 0.887E+00 0.232E-01 -0.245E-02 +GLN 653 CB 645 LEU 555 N 92 0.101E+01 0.858E-02 -0.111E-02 +GLN 653 CB 645 LEU 555 CA 93 0.104E+01 0.234E-02 -0.859E-03 +GLN 653 CB 645 LEU 555 CB 96 0.100E+01 0.353E-02 -0.108E-02 +GLN 653 CB 645 LEU 555 CG 97 0.857E+00 -0.602E-02 -0.276E-02 +GLN 653 CB 645 LEU 555 CD1 98 0.865E+00 0.379E-02 -0.260E-02 +GLN 653 CB 645 LEU 555 CD2 99 0.791E+00 0.442E-02 -0.445E-02 +GLN 653 CG 646 GLY 547 CA 13 0.104E+01 0.188E-02 -0.877E-03 +GLN 653 CG 646 GLY 547 C 14 0.960E+00 -0.950E-02 -0.124E-02 +GLN 653 CG 646 GLY 547 O 15 0.899E+00 0.922E-02 -0.193E-02 +GLN 653 CG 646 ILE 548 N 17 0.991E+00 0.703E-02 -0.126E-02 +GLN 653 CG 646 ILE 548 CA 18 0.969E+00 0.164E-02 -0.132E-02 +GLN 653 CG 646 ILE 548 O 20 0.102E+01 0.923E-02 -0.892E-03 +GLN 653 CG 646 ILE 548 CB 21 0.103E+01 -0.912E-03 -0.911E-03 +GLN 653 CG 646 ILE 548 CG1 22 0.968E+00 -0.355E-03 -0.133E-02 +GLN 653 CG 646 ILE 548 CG2 23 0.105E+01 0.186E-02 -0.821E-03 +GLN 653 CG 646 GLN 551 N 46 0.953E+00 0.640E-02 -0.160E-02 +GLN 653 CG 646 GLN 551 CA 47 0.850E+00 -0.734E-03 -0.289E-02 +GLN 653 CG 646 GLN 551 C 48 0.921E+00 -0.730E-02 -0.159E-02 +GLN 653 CG 646 GLN 551 O 49 0.926E+00 0.976E-02 -0.161E-02 +GLN 653 CG 646 GLN 551 CB 50 0.728E+00 0.838E-03 -0.731E-02 +GLN 653 CG 646 GLN 551 CG 51 0.609E+00 0.749E-03 -0.209E-01 +GLN 653 CG 646 GLN 551 CD 52 0.543E+00 -0.321E-01 -0.355E-01 +GLN 653 CG 646 GLN 551 OE1 53 0.626E+00 0.222E-01 -0.166E-01 +GLN 653 CG 646 GLN 551 NE2 54 0.421E+00 0.787E-01 -0.163E+00 +GLN 653 CG 646 GLN 552 N 58 0.101E+01 0.590E-02 -0.116E-02 +GLN 653 CG 646 ASN 554 CB 85 0.102E+01 0.141E-02 -0.989E-03 +GLN 653 CG 646 ASN 554 ND2 88 0.999E+00 0.120E-01 -0.120E-02 +GLN 653 CG 646 LEU 555 CB 96 0.103E+01 0.212E-02 -0.918E-03 +GLN 653 CG 646 LEU 555 CG 97 0.880E+00 -0.360E-02 -0.235E-02 +GLN 653 CG 646 LEU 555 CD1 98 0.863E+00 0.238E-02 -0.264E-02 +GLN 653 CG 646 LEU 555 CD2 99 0.819E+00 0.260E-02 -0.362E-02 +GLN 653 CD 647 GLY 547 CA 13 0.975E+00 -0.688E-01 -0.113E-02 +GLN 653 CD 647 GLY 547 C 14 0.882E+00 0.362E+00 -0.182E-02 +GLN 653 CD 647 GLY 547 O 15 0.825E+00 -0.355E+00 -0.284E-02 +GLN 653 CD 647 ILE 548 N 17 0.897E+00 -0.274E+00 -0.204E-02 +GLN 653 CD 647 ILE 548 CA 18 0.859E+00 -0.665E-01 -0.242E-02 +GLN 653 CD 647 ILE 548 C 19 0.944E+00 0.319E+00 -0.122E-02 +GLN 653 CD 647 ILE 548 O 20 0.908E+00 -0.369E+00 -0.160E-02 +GLN 653 CD 647 ILE 548 CB 21 0.911E+00 0.368E-01 -0.170E-02 +GLN 653 CD 647 ILE 548 CG1 22 0.851E+00 0.146E-01 -0.255E-02 +GLN 653 CD 647 ILE 548 CG2 23 0.916E+00 -0.763E-01 -0.164E-02 +GLN 653 CD 647 ILE 548 CD1 24 0.946E+00 -0.564E-01 -0.135E-02 +GLN 653 CD 647 GLN 550 C 36 0.101E+01 0.212E+00 -0.817E-03 +GLN 653 CD 647 GLN 551 N 46 0.880E+00 -0.242E+00 -0.227E-02 +GLN 653 CD 647 GLN 551 CA 47 0.778E+00 0.286E-01 -0.437E-02 +GLN 653 CD 647 GLN 551 C 48 0.838E+00 0.285E+00 -0.249E-02 +GLN 653 CD 647 GLN 551 O 49 0.851E+00 -0.374E+00 -0.237E-02 +GLN 653 CD 647 GLN 551 CB 50 0.644E+00 -0.356E-01 -0.134E-01 +GLN 653 CD 647 GLN 551 CG 51 0.519E+00 -0.357E-01 -0.459E-01 +GLN 653 CD 647 GLN 551 CD 52 0.486E+00 0.139E+01 -0.576E-01 +GLN 653 CD 647 GLN 551 OE1 53 0.589E+00 -0.841E+00 -0.210E-01 +GLN 653 CD 647 GLN 551 NE2 54 0.375E+00 -0.356E+01 -0.196E+00 +GLN 653 CD 647 GLN 552 N 58 0.907E+00 -0.231E+00 -0.190E-02 +GLN 653 CD 647 GLN 552 CA 59 0.999E+00 0.190E-01 -0.978E-03 +GLN 653 CD 647 GLN 552 CG 63 0.101E+01 -0.101E-01 -0.897E-03 +GLN 653 CD 647 ASN 554 CB 85 0.989E+00 -0.491E-01 -0.104E-02 +GLN 653 CD 647 ASN 554 CG 86 0.104E+01 0.283E+00 -0.673E-03 +GLN 653 CD 647 ASN 554 ND2 88 0.975E+00 -0.417E+00 -0.124E-02 +GLN 653 CD 647 LEU 555 N 92 0.102E+01 -0.178E+00 -0.967E-03 +GLN 653 CD 647 LEU 555 CA 93 0.103E+01 -0.500E-01 -0.835E-03 +GLN 653 CD 647 LEU 555 CB 96 0.950E+00 -0.799E-01 -0.132E-02 +GLN 653 CD 647 LEU 555 CG 97 0.798E+00 0.142E+00 -0.374E-02 +GLN 653 CD 647 LEU 555 CD1 98 0.760E+00 -0.991E-01 -0.499E-02 +GLN 653 CD 647 LEU 555 CD2 99 0.757E+00 -0.999E-01 -0.513E-02 +GLN 653 OE1 648 GLY 547 N 12 0.101E+01 0.178E+00 -0.104E-02 +GLN 653 OE1 648 GLY 547 CA 13 0.886E+00 0.751E-01 -0.210E-02 +GLN 653 OE1 648 GLY 547 C 14 0.784E+00 -0.416E+00 -0.386E-02 +GLN 653 OE1 648 GLY 547 O 15 0.721E+00 0.426E+00 -0.650E-02 +GLN 653 OE1 648 ILE 548 N 17 0.799E+00 0.313E+00 -0.420E-02 +GLN 653 OE1 648 ILE 548 CA 18 0.755E+00 0.782E-01 -0.545E-02 +GLN 653 OE1 648 ILE 548 C 19 0.832E+00 -0.368E+00 -0.271E-02 +GLN 653 OE1 648 ILE 548 O 20 0.792E+00 0.437E+00 -0.372E-02 +GLN 653 OE1 648 ILE 548 CB 21 0.817E+00 -0.414E-01 -0.341E-02 +GLN 653 OE1 648 ILE 548 CG1 22 0.772E+00 -0.162E-01 -0.479E-02 +GLN 653 OE1 648 ILE 548 CG2 23 0.821E+00 0.861E-01 -0.332E-02 +GLN 653 OE1 648 ILE 548 CD1 24 0.878E+00 0.597E-01 -0.221E-02 +GLN 653 OE1 648 VAL 549 N 26 0.961E+00 0.231E+00 -0.140E-02 +GLN 653 OE1 648 VAL 549 C 28 0.104E+01 -0.205E+00 -0.730E-03 +GLN 653 OE1 648 GLN 550 N 34 0.101E+01 0.185E+00 -0.106E-02 +GLN 653 OE1 648 GLN 550 CA 35 0.100E+01 -0.178E-01 -0.101E-02 +GLN 653 OE1 648 GLN 550 C 36 0.892E+00 -0.241E+00 -0.179E-02 +GLN 653 OE1 648 GLN 550 O 37 0.935E+00 0.302E+00 -0.138E-02 +GLN 653 OE1 648 GLN 550 CB 38 0.990E+00 0.157E-01 -0.108E-02 +GLN 653 OE1 648 GLN 551 N 46 0.763E+00 0.291E+00 -0.555E-02 +GLN 653 OE1 648 GLN 551 CA 47 0.659E+00 -0.369E-01 -0.123E-01 +GLN 653 OE1 648 GLN 551 C 48 0.717E+00 -0.354E+00 -0.659E-02 +GLN 653 OE1 648 GLN 551 O 49 0.734E+00 0.457E+00 -0.583E-02 +GLN 653 OE1 648 GLN 551 CB 50 0.524E+00 0.524E-01 -0.466E-01 +GLN 653 OE1 648 GLN 551 CG 51 0.398E+00 0.648E-01 -0.190E+00 +GLN 653 OE1 648 GLN 551 CD 52 0.377E+00 -0.250E+01 -0.201E+00 +GLN 653 OE1 648 GLN 551 OE1 53 0.487E+00 0.122E+01 -0.650E-01 +GLN 653 OE1 648 GLN 551 NE2 54 0.279E+00 0.759E+01 0.204E+01 +GLN 653 OE1 648 GLN 552 N 58 0.786E+00 0.277E+00 -0.466E-02 +GLN 653 OE1 648 GLN 552 CA 59 0.879E+00 -0.218E-01 -0.220E-02 +GLN 653 OE1 648 GLN 552 C 60 0.989E+00 -0.206E+00 -0.966E-03 +GLN 653 OE1 648 GLN 552 O 61 0.104E+01 0.256E+00 -0.710E-03 +GLN 653 OE1 648 GLN 552 CB 62 0.960E+00 0.164E-01 -0.130E-02 +GLN 653 OE1 648 GLN 552 CG 63 0.899E+00 0.114E-01 -0.192E-02 +GLN 653 OE1 648 GLN 552 CD 64 0.990E+00 -0.327E+00 -0.957E-03 +GLN 653 OE1 648 GLN 552 NE2 66 0.999E+00 0.427E+00 -0.110E-02 +GLN 653 OE1 648 ASN 553 N 70 0.104E+01 0.197E+00 -0.886E-03 +GLN 653 OE1 648 ASN 554 N 81 0.101E+01 0.206E+00 -0.105E-02 +GLN 653 OE1 648 ASN 554 CA 82 0.992E+00 -0.220E-01 -0.107E-02 +GLN 653 OE1 648 ASN 554 C 83 0.979E+00 -0.307E+00 -0.102E-02 +GLN 653 OE1 648 ASN 554 CB 85 0.887E+00 0.546E-01 -0.208E-02 +GLN 653 OE1 648 ASN 554 CG 86 0.940E+00 -0.310E+00 -0.131E-02 +GLN 653 OE1 648 ASN 554 ND2 88 0.871E+00 0.468E+00 -0.250E-02 +GLN 653 OE1 648 LEU 555 N 92 0.911E+00 0.198E+00 -0.192E-02 +GLN 653 OE1 648 LEU 555 CA 93 0.928E+00 0.546E-01 -0.159E-02 +GLN 653 OE1 648 LEU 555 CB 96 0.852E+00 0.895E-01 -0.266E-02 +GLN 653 OE1 648 LEU 555 CG 97 0.700E+00 -0.170E+00 -0.860E-02 +GLN 653 OE1 648 LEU 555 CD1 98 0.664E+00 0.121E+00 -0.117E-01 +GLN 653 OE1 648 LEU 555 CD2 99 0.672E+00 0.118E+00 -0.109E-01 +GLN 653 NE2 649 GLY 547 CA 13 0.104E+01 0.830E-01 -0.956E-03 +GLN 653 NE2 649 GLY 547 C 14 0.940E+00 -0.433E+00 -0.154E-02 +GLN 653 NE2 649 GLY 547 O 15 0.893E+00 0.412E+00 -0.217E-02 +GLN 653 NE2 649 ILE 548 N 17 0.937E+00 0.338E+00 -0.192E-02 +GLN 653 NE2 649 ILE 548 CA 18 0.886E+00 0.835E-01 -0.246E-02 +GLN 653 NE2 649 ILE 548 C 19 0.975E+00 -0.401E+00 -0.123E-02 +GLN 653 NE2 649 ILE 548 O 20 0.941E+00 0.462E+00 -0.158E-02 +GLN 653 NE2 649 ILE 548 CB 21 0.918E+00 -0.480E-01 -0.199E-02 +GLN 653 NE2 649 ILE 548 CG1 22 0.851E+00 -0.193E-01 -0.315E-02 +GLN 653 NE2 649 ILE 548 CG2 23 0.910E+00 0.102E+00 -0.211E-02 +GLN 653 NE2 649 ILE 548 CD1 24 0.929E+00 0.767E-01 -0.186E-02 +GLN 653 NE2 649 GLN 551 N 46 0.955E+00 0.281E+00 -0.171E-02 +GLN 653 NE2 649 GLN 551 CA 47 0.854E+00 -0.322E-01 -0.307E-02 +GLN 653 NE2 649 GLN 551 C 48 0.902E+00 -0.334E+00 -0.197E-02 +GLN 653 NE2 649 GLN 551 O 49 0.918E+00 0.437E+00 -0.184E-02 +GLN 653 NE2 649 GLN 551 CB 50 0.714E+00 0.383E-01 -0.891E-02 +GLN 653 NE2 649 GLN 551 CG 51 0.587E+00 0.357E-01 -0.282E-01 +GLN 653 NE2 649 GLN 551 CD 52 0.578E+00 -0.124E+01 -0.275E-01 +GLN 653 NE2 649 GLN 551 OE1 53 0.689E+00 0.807E+00 -0.102E-01 +GLN 653 NE2 649 GLN 551 NE2 54 0.474E+00 0.258E+01 -0.102E+00 +GLN 653 NE2 649 GLN 552 N 58 0.957E+00 0.280E+00 -0.169E-02 +GLN 653 NE2 649 GLN 552 CA 59 0.104E+01 -0.238E-01 -0.953E-03 +GLN 653 NE2 649 GLN 552 CG 63 0.102E+01 0.131E-01 -0.103E-02 +GLN 653 NE2 649 LEU 555 CB 96 0.991E+00 0.991E-01 -0.126E-02 +GLN 653 NE2 649 LEU 555 CG 97 0.840E+00 -0.172E+00 -0.339E-02 +GLN 653 NE2 649 LEU 555 CD1 98 0.780E+00 0.125E+00 -0.528E-02 +GLN 653 NE2 649 LEU 555 CD2 99 0.807E+00 0.118E+00 -0.433E-02 +GLU 654 N 653 GLY 547 CA 13 0.963E+00 0.444E-01 -0.149E-02 +GLU 654 N 653 GLY 547 C 14 0.941E+00 -0.207E+00 -0.153E-02 +GLU 654 N 653 GLY 547 O 15 0.892E+00 0.197E+00 -0.218E-02 +GLU 654 N 653 ILE 548 N 17 0.101E+01 0.145E+00 -0.125E-02 +GLU 654 N 653 ILE 548 CA 18 0.104E+01 0.313E-01 -0.937E-03 +GLU 654 N 653 ILE 548 CG1 22 0.105E+01 -0.669E-02 -0.903E-03 +GLU 654 N 653 GLN 551 N 46 0.997E+00 0.126E+00 -0.132E-02 +GLU 654 N 653 GLN 551 CA 47 0.934E+00 -0.134E-01 -0.180E-02 +GLU 654 N 653 GLN 551 CB 50 0.831E+00 0.140E-01 -0.361E-02 +GLU 654 N 653 GLN 551 CG 51 0.772E+00 0.992E-02 -0.560E-02 +GLU 654 N 653 GLN 551 CD 52 0.696E+00 -0.402E+00 -0.920E-02 +GLU 654 N 653 GLN 551 OE1 53 0.736E+00 0.340E+00 -0.687E-02 +GLU 654 N 653 GLN 551 NE2 54 0.613E+00 0.689E+00 -0.240E-01 +GLU 654 N 653 ASN 554 ND2 88 0.991E+00 0.258E+00 -0.137E-02 +GLU 654 CA 654 GLY 547 CA 13 0.103E+01 -0.304E-02 -0.922E-03 +GLU 654 CA 654 GLY 547 C 14 0.102E+01 0.138E-01 -0.848E-03 +GLU 654 CA 654 GLY 547 O 15 0.987E+00 -0.128E-01 -0.110E-02 +GLU 654 CA 654 GLN 551 CB 50 0.957E+00 -0.841E-03 -0.142E-02 +GLU 654 CA 654 GLN 551 CG 51 0.906E+00 -0.573E-03 -0.198E-02 +GLU 654 CA 654 GLN 551 CD 52 0.838E+00 0.218E-01 -0.280E-02 +GLU 654 CA 654 GLN 551 OE1 53 0.878E+00 -0.189E-01 -0.221E-02 +GLU 654 CA 654 GLN 551 NE2 54 0.756E+00 -0.345E-01 -0.636E-02 +GLU 654 C 655 GLY 547 CA 13 0.942E+00 -0.510E-01 -0.139E-02 +GLU 654 C 655 GLY 547 C 14 0.954E+00 0.225E+00 -0.114E-02 +GLU 654 C 655 GLY 547 O 15 0.933E+00 -0.204E+00 -0.137E-02 +GLU 654 C 655 ILE 548 N 17 0.102E+01 -0.159E+00 -0.948E-03 +GLU 654 C 655 GLN 551 CB 50 0.953E+00 -0.124E-01 -0.130E-02 +GLU 654 C 655 GLN 551 CG 51 0.924E+00 -0.816E-02 -0.156E-02 +GLU 654 C 655 GLN 551 CD 52 0.873E+00 0.298E+00 -0.194E-02 +GLU 654 C 655 GLN 551 OE1 53 0.914E+00 -0.260E+00 -0.155E-02 +GLU 654 C 655 GLN 551 NE2 54 0.809E+00 -0.448E+00 -0.375E-02 +GLU 654 O 656 GLY 547 CA 13 0.971E+00 0.614E-01 -0.121E-02 +GLU 654 O 656 GLY 547 C 14 0.988E+00 -0.270E+00 -0.967E-03 +GLU 654 O 656 GLY 547 O 15 0.981E+00 0.239E+00 -0.103E-02 +GLU 654 O 656 ILE 548 N 17 0.104E+01 0.194E+00 -0.859E-03 +GLU 654 O 656 GLN 551 CB 50 0.102E+01 0.142E-01 -0.905E-03 +GLU 654 O 656 GLN 551 CG 51 0.993E+00 0.922E-02 -0.106E-02 +GLU 654 O 656 GLN 551 CD 52 0.956E+00 -0.326E+00 -0.118E-02 +GLU 654 O 656 GLN 551 OE1 53 0.101E+01 0.284E+00 -0.885E-03 +GLU 654 O 656 GLN 551 NE2 54 0.892E+00 0.480E+00 -0.218E-02 +GLU 654 CB 657 GLN 551 CG 51 0.101E+01 -0.113E-02 -0.103E-02 +GLU 654 CB 657 GLN 551 CD 52 0.927E+00 0.432E-01 -0.153E-02 +GLU 654 CB 657 GLN 551 OE1 53 0.952E+00 -0.390E-01 -0.136E-02 +GLU 654 CB 657 GLN 551 NE2 54 0.845E+00 -0.665E-01 -0.328E-02 +GLU 654 CG 658 GLN 551 CD 52 0.977E+00 -0.181E-01 -0.111E-02 +GLU 654 CG 658 GLN 551 OE1 53 0.101E+01 0.163E-01 -0.985E-03 +GLU 654 CG 658 GLN 551 NE2 54 0.881E+00 0.281E-01 -0.256E-02 +GLU 654 CD 659 GLN 551 CD 52 0.104E+01 0.372E+00 -0.687E-03 +GLU 654 CD 659 GLN 551 NE2 54 0.943E+00 -0.567E+00 -0.150E-02 +GLU 654 OE1 660 GLN 551 CD 52 0.976E+00 -0.438E+00 -0.104E-02 +GLU 654 OE1 660 GLN 551 OE1 53 0.978E+00 0.411E+00 -0.105E-02 +GLU 654 OE1 660 GLN 551 NE2 54 0.885E+00 0.676E+00 -0.228E-02 +LYS 655 N 663 GLY 547 N 12 0.971E+00 0.131E+00 -0.155E-02 +LYS 655 N 663 GLY 547 CA 13 0.849E+00 0.559E-01 -0.318E-02 +LYS 655 N 663 GLY 547 C 14 0.872E+00 -0.241E+00 -0.241E-02 +LYS 655 N 663 GLY 547 O 15 0.849E+00 0.221E+00 -0.292E-02 +LYS 655 N 663 ILE 548 N 17 0.949E+00 0.164E+00 -0.178E-02 +LYS 655 N 663 ILE 548 CA 18 0.102E+01 0.332E-01 -0.105E-02 +LYS 655 N 663 ILE 548 CG1 22 0.102E+01 -0.718E-02 -0.107E-02 +LYS 655 N 663 GLN 550 CB 38 0.103E+01 0.102E-01 -0.980E-03 +LYS 655 N 663 GLN 551 N 46 0.101E+01 0.128E+00 -0.125E-02 +LYS 655 N 663 GLN 551 CA 47 0.984E+00 -0.127E-01 -0.131E-02 +LYS 655 N 663 GLN 551 CB 50 0.892E+00 0.128E-01 -0.237E-02 +LYS 655 N 663 GLN 551 CG 51 0.882E+00 0.815E-02 -0.254E-02 +LYS 655 N 663 GLN 551 CD 52 0.832E+00 -0.300E+00 -0.318E-02 +LYS 655 N 663 GLN 551 OE1 53 0.860E+00 0.266E+00 -0.271E-02 +LYS 655 N 663 GLN 551 NE2 54 0.786E+00 0.438E+00 -0.548E-02 +LYS 655 N 663 ASN 554 ND2 88 0.102E+01 0.255E+00 -0.116E-02 +LYS 655 CA 664 SER 546 C 6 0.102E+01 -0.142E-01 -0.886E-03 +LYS 655 CA 664 SER 546 OG 9 0.101E+01 0.188E-01 -0.104E-02 +LYS 655 CA 664 SER 546 HG 11 0.101E+01 -0.132E-01 0.000E+00 +LYS 655 CA 664 GLY 547 N 12 0.890E+00 0.134E-01 -0.240E-02 +LYS 655 CA 664 GLY 547 CA 13 0.780E+00 0.579E-02 -0.483E-02 +LYS 655 CA 664 GLY 547 C 14 0.826E+00 -0.236E-01 -0.306E-02 +LYS 655 CA 664 GLY 547 O 15 0.820E+00 0.210E-01 -0.334E-02 +LYS 655 CA 664 ILE 548 N 17 0.904E+00 0.158E-01 -0.219E-02 +LYS 655 CA 664 ILE 548 CA 18 0.992E+00 0.309E-02 -0.115E-02 +LYS 655 CA 664 ILE 548 CG1 22 0.983E+00 -0.677E-03 -0.121E-02 +LYS 655 CA 664 GLN 550 CB 38 0.993E+00 0.970E-03 -0.114E-02 +LYS 655 CA 664 GLN 550 CG 39 0.103E+01 0.576E-03 -0.930E-03 +LYS 655 CA 664 GLN 550 NE2 42 0.104E+01 0.249E-01 -0.926E-03 +LYS 655 CA 664 GLN 551 N 46 0.100E+01 0.115E-01 -0.117E-02 +LYS 655 CA 664 GLN 551 CA 47 0.100E+01 -0.111E-02 -0.108E-02 +LYS 655 CA 664 GLN 551 CB 50 0.915E+00 0.110E-02 -0.187E-02 +LYS 655 CA 664 GLN 551 CG 51 0.927E+00 0.673E-03 -0.172E-02 +LYS 655 CA 664 GLN 551 CD 52 0.895E+00 -0.238E-01 -0.188E-02 +LYS 655 CA 664 GLN 551 OE1 53 0.921E+00 0.213E-01 -0.166E-02 +LYS 655 CA 664 GLN 551 NE2 54 0.866E+00 0.331E-01 -0.282E-02 +LYS 655 CA 664 ASN 554 ND2 88 0.104E+01 0.222E-01 -0.952E-03 +LYS 655 C 665 SER 546 N 4 0.102E+01 -0.295E+00 -0.965E-03 +LYS 655 C 665 SER 546 CA 5 0.103E+01 0.631E-01 -0.819E-03 +LYS 655 C 665 SER 546 C 6 0.930E+00 0.301E+00 -0.133E-02 +LYS 655 C 665 SER 546 O 7 0.986E+00 -0.331E+00 -0.982E-03 +LYS 655 C 665 SER 546 CB 8 0.104E+01 0.771E-01 -0.755E-03 +LYS 655 C 665 SER 546 OG 9 0.929E+00 -0.399E+00 -0.155E-02 +LYS 655 C 665 SER 546 HG 11 0.917E+00 0.284E+00 0.000E+00 +LYS 655 C 665 GLY 547 N 12 0.799E+00 -0.299E+00 -0.405E-02 +LYS 655 C 665 GLY 547 CA 13 0.699E+00 -0.132E+00 -0.824E-02 +LYS 655 C 665 GLY 547 C 14 0.742E+00 0.532E+00 -0.512E-02 +LYS 655 C 665 GLY 547 O 15 0.753E+00 -0.453E+00 -0.492E-02 +LYS 655 C 665 ILE 548 N 17 0.804E+00 -0.357E+00 -0.391E-02 +LYS 655 C 665 ILE 548 CA 18 0.892E+00 -0.678E-01 -0.192E-02 +LYS 655 C 665 ILE 548 C 19 0.102E+01 0.310E+00 -0.782E-03 +LYS 655 C 665 ILE 548 CB 21 0.951E+00 0.373E-01 -0.131E-02 +LYS 655 C 665 ILE 548 CG1 22 0.856E+00 0.156E-01 -0.246E-02 +LYS 655 C 665 ILE 548 CD1 24 0.944E+00 -0.615E-01 -0.138E-02 +LYS 655 C 665 GLN 550 CB 38 0.959E+00 -0.190E-01 -0.125E-02 +LYS 655 C 665 GLN 550 CG 39 0.101E+01 -0.110E-01 -0.922E-03 +LYS 655 C 665 GLN 551 N 46 0.965E+00 -0.228E+00 -0.131E-02 +LYS 655 C 665 GLN 551 CA 47 0.970E+00 0.216E-01 -0.117E-02 +LYS 655 C 665 GLN 551 CB 50 0.870E+00 -0.222E-01 -0.224E-02 +LYS 655 C 665 GLN 551 CG 51 0.887E+00 -0.134E-01 -0.199E-02 +LYS 655 C 665 GLN 551 CD 52 0.879E+00 0.455E+00 -0.186E-02 +LYS 655 C 665 GLN 551 OE1 53 0.920E+00 -0.397E+00 -0.148E-02 +LYS 655 C 665 GLN 551 NE2 54 0.855E+00 -0.629E+00 -0.270E-02 +LYS 655 O 666 SER 546 N 4 0.997E+00 0.235E+00 -0.112E-02 +LYS 655 O 666 SER 546 CA 5 0.102E+01 -0.495E-01 -0.892E-03 +LYS 655 O 666 SER 546 C 6 0.938E+00 -0.230E+00 -0.132E-02 +LYS 655 O 666 SER 546 O 7 0.101E+01 0.249E+00 -0.878E-03 +LYS 655 O 666 SER 546 CB 8 0.103E+01 -0.610E-01 -0.852E-03 +LYS 655 O 666 SER 546 OG 9 0.908E+00 0.321E+00 -0.182E-02 +LYS 655 O 666 SER 546 HG 11 0.884E+00 -0.234E+00 0.000E+00 +LYS 655 O 666 GLY 547 N 12 0.805E+00 0.230E+00 -0.403E-02 +LYS 655 O 666 GLY 547 CA 13 0.723E+00 0.963E-01 -0.707E-02 +LYS 655 O 666 GLY 547 C 14 0.780E+00 -0.377E+00 -0.399E-02 +LYS 655 O 666 GLY 547 O 15 0.809E+00 0.310E+00 -0.327E-02 +LYS 655 O 666 ILE 548 N 17 0.831E+00 0.262E+00 -0.333E-02 +LYS 655 O 666 ILE 548 CA 18 0.926E+00 0.496E-01 -0.161E-02 +LYS 655 O 666 ILE 548 CB 21 0.970E+00 -0.281E-01 -0.122E-02 +LYS 655 O 666 ILE 548 CG1 22 0.865E+00 -0.119E-01 -0.242E-02 +LYS 655 O 666 ILE 548 CD1 24 0.937E+00 0.483E-01 -0.150E-02 +LYS 655 O 666 GLN 550 CB 38 0.101E+01 0.136E-01 -0.931E-03 +LYS 655 O 666 GLN 551 N 46 0.104E+01 0.158E+00 -0.871E-03 +LYS 655 O 666 GLN 551 CB 50 0.953E+00 0.149E-01 -0.135E-02 +LYS 655 O 666 GLN 551 CG 51 0.978E+00 0.895E-02 -0.116E-02 +LYS 655 O 666 GLN 551 CD 52 0.982E+00 -0.297E+00 -0.100E-02 +LYS 655 O 666 GLN 551 OE1 53 0.103E+01 0.261E+00 -0.780E-03 +LYS 655 O 666 GLN 551 NE2 54 0.962E+00 0.405E+00 -0.139E-02 +LYS 655 CB 667 SER 546 C 6 0.949E+00 -0.434E-01 -0.133E-02 +LYS 655 CB 667 SER 546 O 7 0.986E+00 0.493E-01 -0.111E-02 +LYS 655 CB 667 SER 546 OG 9 0.945E+00 0.579E-01 -0.158E-02 +LYS 655 CB 667 SER 546 HG 11 0.955E+00 -0.397E-01 0.000E+00 +LYS 655 CB 667 GLY 547 N 12 0.831E+00 0.416E-01 -0.361E-02 +LYS 655 CB 667 GLY 547 CA 13 0.718E+00 0.187E-01 -0.791E-02 +LYS 655 CB 667 GLY 547 C 14 0.775E+00 -0.731E-01 -0.445E-02 +LYS 655 CB 667 GLY 547 O 15 0.762E+00 0.661E-01 -0.517E-02 +LYS 655 CB 667 ILE 548 N 17 0.870E+00 0.465E-01 -0.275E-02 +LYS 655 CB 667 ILE 548 CA 18 0.968E+00 0.889E-02 -0.133E-02 +LYS 655 CB 667 ILE 548 CG1 22 0.994E+00 -0.184E-02 -0.114E-02 +LYS 655 CB 667 GLN 550 CA 35 0.102E+01 -0.300E-02 -0.991E-03 +LYS 655 CB 667 GLN 550 C 36 0.999E+00 -0.348E-01 -0.977E-03 +LYS 655 CB 667 GLN 550 CB 38 0.892E+00 0.317E-02 -0.217E-02 +LYS 655 CB 667 GLN 550 CG 39 0.911E+00 0.191E-02 -0.191E-02 +LYS 655 CB 667 GLN 550 CD 40 0.976E+00 -0.575E-01 -0.113E-02 +LYS 655 CB 667 GLN 550 NE2 42 0.917E+00 0.837E-01 -0.201E-02 +LYS 655 CB 667 GLN 551 N 46 0.932E+00 0.357E-01 -0.182E-02 +LYS 655 CB 667 GLN 551 CA 47 0.942E+00 -0.336E-02 -0.157E-02 +LYS 655 CB 667 GLN 551 CB 50 0.875E+00 0.327E-02 -0.244E-02 +LYS 655 CB 667 GLN 551 CG 51 0.906E+00 0.193E-02 -0.198E-02 +LYS 655 CB 667 GLN 551 CD 52 0.870E+00 -0.689E-01 -0.223E-02 +LYS 655 CB 667 GLN 551 OE1 53 0.878E+00 0.638E-01 -0.222E-02 +LYS 655 CB 667 GLN 551 NE2 54 0.859E+00 0.929E-01 -0.296E-02 +LYS 655 CB 667 ASN 554 ND2 88 0.940E+00 0.713E-01 -0.173E-02 +LYS 655 CG 668 SER 546 N 4 0.104E+01 -0.130E-01 -0.959E-03 +LYS 655 CG 668 SER 546 CA 5 0.102E+01 0.293E-02 -0.100E-02 +LYS 655 CG 668 SER 546 C 6 0.918E+00 0.140E-01 -0.162E-02 +LYS 655 CG 668 SER 546 O 7 0.965E+00 -0.155E-01 -0.126E-02 +LYS 655 CG 668 SER 546 CB 8 0.989E+00 0.379E-02 -0.117E-02 +LYS 655 CG 668 SER 546 OG 9 0.873E+00 -0.200E-01 -0.253E-02 +LYS 655 CG 668 SER 546 HG 11 0.881E+00 0.138E-01 0.000E+00 +LYS 655 CG 668 GLY 547 N 12 0.803E+00 -0.135E-01 -0.443E-02 +LYS 655 CG 668 GLY 547 CA 13 0.709E+00 -0.586E-02 -0.856E-02 +LYS 655 CG 668 GLY 547 C 14 0.793E+00 0.215E-01 -0.389E-02 +LYS 655 CG 668 GLY 547 O 15 0.797E+00 -0.186E-01 -0.397E-02 +LYS 655 CG 668 ILE 548 N 17 0.889E+00 -0.137E-01 -0.242E-02 +LYS 655 CG 668 ILE 548 CA 18 0.100E+01 -0.257E-02 -0.107E-02 +LYS 655 CG 668 ILE 548 CG1 22 0.103E+01 0.537E-03 -0.933E-03 +LYS 655 CG 668 GLN 550 CA 35 0.103E+01 0.898E-03 -0.912E-03 +LYS 655 CG 668 GLN 550 C 36 0.104E+01 0.101E-01 -0.788E-03 +LYS 655 CG 668 GLN 550 CB 38 0.895E+00 -0.963E-03 -0.212E-02 +LYS 655 CG 668 GLN 550 CG 39 0.896E+00 -0.601E-03 -0.211E-02 +LYS 655 CG 668 GLN 550 CD 40 0.971E+00 0.177E-01 -0.116E-02 +LYS 655 CG 668 GLN 550 NE2 42 0.923E+00 -0.253E-01 -0.193E-02 +LYS 655 CG 668 GLN 551 N 46 0.982E+00 -0.101E-01 -0.133E-02 +LYS 655 CG 668 GLN 551 CA 47 0.101E+01 0.922E-03 -0.102E-02 +LYS 655 CG 668 GLN 551 CB 50 0.956E+00 -0.869E-03 -0.144E-02 +LYS 655 CG 668 GLN 551 CG 51 0.101E+01 -0.503E-03 -0.106E-02 +LYS 655 CG 668 GLN 551 CD 52 0.983E+00 0.174E-01 -0.108E-02 +LYS 655 CG 668 GLN 551 OE1 53 0.986E+00 -0.163E-01 -0.111E-02 +LYS 655 CG 668 GLN 551 NE2 54 0.986E+00 -0.229E-01 -0.130E-02 +LYS 655 CG 668 ASN 554 ND2 88 0.999E+00 -0.199E-01 -0.120E-02 +LYS 655 CD 669 SER 546 N 4 0.104E+01 0.187E-01 -0.920E-03 +LYS 655 CD 669 SER 546 CA 5 0.100E+01 -0.434E-02 -0.108E-02 +LYS 655 CD 669 SER 546 C 6 0.904E+00 -0.208E-01 -0.178E-02 +LYS 655 CD 669 SER 546 O 7 0.940E+00 0.236E-01 -0.148E-02 +LYS 655 CD 669 SER 546 CB 8 0.962E+00 -0.575E-02 -0.138E-02 +LYS 655 CD 669 SER 546 OG 9 0.855E+00 0.302E-01 -0.287E-02 +LYS 655 CD 669 SER 546 HG 11 0.877E+00 -0.202E-01 0.000E+00 +LYS 655 CD 669 GLY 547 N 12 0.803E+00 0.196E-01 -0.443E-02 +LYS 655 CD 669 GLY 547 CA 13 0.711E+00 0.848E-02 -0.841E-02 +LYS 655 CD 669 GLY 547 C 14 0.804E+00 -0.305E-01 -0.359E-02 +LYS 655 CD 669 GLY 547 O 15 0.799E+00 0.270E-01 -0.389E-02 +LYS 655 CD 669 ILE 548 N 17 0.913E+00 0.191E-01 -0.206E-02 +LYS 655 CD 669 ILE 548 CA 18 0.103E+01 0.359E-02 -0.903E-03 +LYS 655 CD 669 GLN 550 N 34 0.104E+01 0.134E-01 -0.926E-03 +LYS 655 CD 669 GLN 550 CA 35 0.982E+00 -0.140E-02 -0.122E-02 +LYS 655 CD 669 GLN 550 C 36 0.994E+00 -0.156E-01 -0.101E-02 +LYS 655 CD 669 GLN 550 CB 38 0.840E+00 0.155E-02 -0.310E-02 +LYS 655 CD 669 GLN 550 CG 39 0.818E+00 0.102E-02 -0.365E-02 +LYS 655 CD 669 GLN 550 CD 40 0.882E+00 -0.300E-01 -0.206E-02 +LYS 655 CD 669 GLN 550 OE1 41 0.999E+00 0.232E-01 -0.103E-02 +LYS 655 CD 669 GLN 550 NE2 42 0.829E+00 0.439E-01 -0.367E-02 +LYS 655 CD 669 GLN 551 N 46 0.959E+00 0.152E-01 -0.153E-02 +LYS 655 CD 669 GLN 551 CA 47 0.100E+01 -0.137E-02 -0.109E-02 +LYS 655 CD 669 GLN 551 CB 50 0.966E+00 0.124E-02 -0.134E-02 +LYS 655 CD 669 GLN 551 CG 51 0.103E+01 0.706E-03 -0.913E-03 +LYS 655 CD 669 GLN 551 CD 52 0.100E+01 -0.245E-01 -0.955E-03 +LYS 655 CD 669 GLN 551 OE1 53 0.987E+00 0.236E-01 -0.110E-02 +LYS 655 CD 669 GLN 551 NE2 54 0.102E+01 0.317E-01 -0.106E-02 +LYS 655 CD 669 ASN 554 ND2 88 0.940E+00 0.317E-01 -0.173E-02 +LYS 655 CE 670 SER 546 C 6 0.104E+01 -0.246E-01 -0.779E-03 +LYS 655 CE 670 SER 546 OG 9 0.995E+00 0.347E-01 -0.116E-02 +LYS 655 CE 670 SER 546 HG 11 0.102E+01 -0.232E-01 0.000E+00 +LYS 655 CE 670 GLY 547 N 12 0.943E+00 0.220E-01 -0.169E-02 +LYS 655 CE 670 GLY 547 CA 13 0.845E+00 0.905E-02 -0.300E-02 +LYS 655 CE 670 GLY 547 C 14 0.930E+00 -0.349E-01 -0.150E-02 +LYS 655 CE 670 GLY 547 O 15 0.911E+00 0.316E-01 -0.178E-02 +LYS 655 CE 670 ILE 548 N 17 0.104E+01 0.228E-01 -0.920E-03 +LYS 655 CE 670 GLN 550 CB 38 0.930E+00 0.192E-02 -0.169E-02 +LYS 655 CE 670 GLN 550 CG 39 0.895E+00 0.128E-02 -0.213E-02 +LYS 655 CE 670 GLN 550 CD 40 0.938E+00 -0.396E-01 -0.143E-02 +LYS 655 CE 670 GLN 550 NE2 42 0.868E+00 0.593E-01 -0.279E-02 +LYS 655 CE 670 GLN 551 N 46 0.104E+01 0.196E-01 -0.936E-03 +LYS 655 CE 670 GLN 551 CB 50 0.105E+01 0.161E-02 -0.829E-03 +LYS 655 CE 670 GLN 551 OE1 53 0.103E+01 0.325E-01 -0.863E-03 +LYS 655 CE 670 ASN 554 ND2 88 0.970E+00 0.440E-01 -0.143E-02 +LYS 655 NZ 671 SER 546 OG 9 0.101E+01 0.121E+00 -0.116E-02 +LYS 655 NZ 671 SER 546 HG 11 0.105E+01 -0.804E-01 0.000E+00 +LYS 655 NZ 671 GLY 547 N 12 0.979E+00 0.742E-01 -0.147E-02 +LYS 655 NZ 671 GLY 547 CA 13 0.889E+00 0.297E-01 -0.242E-02 +LYS 655 NZ 671 GLY 547 C 14 0.980E+00 -0.115E+00 -0.119E-02 +LYS 655 NZ 671 GLY 547 O 15 0.959E+00 0.104E+00 -0.141E-02 +LYS 655 NZ 671 GLN 550 CB 38 0.927E+00 0.690E-02 -0.188E-02 +LYS 655 NZ 671 GLN 550 CG 39 0.869E+00 0.478E-02 -0.276E-02 +LYS 655 NZ 671 GLN 550 CD 40 0.900E+00 -0.151E+00 -0.199E-02 +LYS 655 NZ 671 GLN 550 OE1 41 0.101E+01 0.119E+00 -0.105E-02 +LYS 655 NZ 671 GLN 550 NE2 42 0.829E+00 0.229E+00 -0.400E-02 +LYS 655 NZ 671 ASN 554 ND2 88 0.968E+00 0.158E+00 -0.158E-02 +LYS 655 HZ1 673 SER 546 C 6 0.996E+00 0.110E+00 -0.305E-04 +LYS 655 HZ1 673 SER 546 O 7 0.100E+01 -0.131E+00 -0.242E-04 +LYS 655 HZ1 673 SER 546 CB 8 0.104E+01 0.313E-01 -0.258E-04 +LYS 655 HZ1 673 SER 546 OG 9 0.961E+00 -0.154E+00 -0.369E-04 +LYS 655 HZ1 673 SER 546 HG 11 0.101E+01 0.100E+00 0.000E+00 +LYS 655 HZ1 673 GLY 547 N 12 0.924E+00 -0.957E-01 -0.547E-04 +LYS 655 HZ1 673 GLY 547 CA 13 0.831E+00 -0.392E-01 -0.101E-03 +LYS 655 HZ1 673 GLY 547 C 14 0.919E+00 0.150E+00 -0.493E-04 +LYS 655 HZ1 673 GLY 547 O 15 0.892E+00 -0.138E+00 -0.496E-04 +LYS 655 HZ1 673 ILE 548 N 17 0.104E+01 -0.961E-01 -0.263E-04 +LYS 655 HZ1 673 GLN 550 CA 35 0.977E+00 0.869E-02 -0.385E-04 +LYS 655 HZ1 673 GLN 550 C 36 0.989E+00 0.966E-01 -0.318E-04 +LYS 655 HZ1 673 GLN 550 O 37 0.103E+01 -0.123E+00 -0.207E-04 +LYS 655 HZ1 673 GLN 550 CB 38 0.838E+00 -0.959E-02 -0.965E-04 +LYS 655 HZ1 673 GLN 550 CG 39 0.775E+00 -0.687E-02 -0.154E-03 +LYS 655 HZ1 673 GLN 550 CD 40 0.800E+00 0.217E+00 -0.114E-03 +LYS 655 HZ1 673 GLN 550 OE1 41 0.906E+00 -0.166E+00 -0.450E-04 +LYS 655 HZ1 673 GLN 550 NE2 42 0.727E+00 -0.342E+00 -0.231E-03 +LYS 655 HZ1 673 GLN 551 N 46 0.985E+00 -0.897E-01 -0.372E-04 +LYS 655 HZ1 673 GLN 551 CA 47 0.103E+01 0.804E-02 -0.281E-04 +LYS 655 HZ1 673 GLN 551 CB 50 0.103E+01 -0.690E-02 -0.273E-04 +LYS 655 HZ1 673 GLN 551 OE1 53 0.101E+01 -0.139E+00 -0.228E-04 +LYS 655 HZ1 673 ASN 554 CG 86 0.974E+00 0.138E+00 -0.348E-04 +LYS 655 HZ1 673 ASN 554 OD1 87 0.987E+00 -0.122E+00 -0.270E-04 +LYS 655 HZ1 673 ASN 554 ND2 88 0.876E+00 -0.218E+00 -0.754E-04 +LYS 655 HZ2 674 SER 546 OG 9 0.981E+00 -0.149E+00 -0.327E-04 +LYS 655 HZ2 674 SER 546 HG 11 0.101E+01 0.990E-01 0.000E+00 +LYS 655 HZ2 674 GLY 547 N 12 0.980E+00 -0.874E-01 -0.384E-04 +LYS 655 HZ2 674 GLY 547 CA 13 0.903E+00 -0.342E-01 -0.618E-04 +LYS 655 HZ2 674 GLY 547 C 14 0.101E+01 0.130E+00 -0.285E-04 +LYS 655 HZ2 674 GLY 547 O 15 0.996E+00 -0.116E+00 -0.254E-04 +LYS 655 HZ2 674 GLN 550 CB 38 0.956E+00 -0.776E-02 -0.439E-04 +LYS 655 HZ2 674 GLN 550 CG 39 0.891E+00 -0.543E-02 -0.671E-04 +LYS 655 HZ2 674 GLN 550 CD 40 0.930E+00 0.169E+00 -0.458E-04 +LYS 655 HZ2 674 GLN 550 OE1 41 0.103E+01 -0.136E+00 -0.203E-04 +LYS 655 HZ2 674 GLN 550 NE2 42 0.870E+00 -0.249E+00 -0.782E-04 +LYS 655 HZ2 674 ASN 554 ND2 88 0.104E+01 -0.168E+00 -0.275E-04 +LYS 655 HZ3 675 GLY 547 CA 13 0.985E+00 -0.299E-01 -0.367E-04 +LYS 655 HZ3 675 GLY 547 O 15 0.104E+01 -0.109E+00 -0.194E-04 +LYS 655 HZ3 675 GLN 550 CB 38 0.100E+01 -0.721E-02 -0.326E-04 +LYS 655 HZ3 675 GLN 550 CG 39 0.943E+00 -0.496E-02 -0.476E-04 +LYS 655 HZ3 675 GLN 550 CD 40 0.961E+00 0.161E+00 -0.377E-04 +LYS 655 HZ3 675 GLN 550 NE2 42 0.881E+00 -0.244E+00 -0.729E-04 +LYS 655 HZ3 675 ASN 554 ND2 88 0.101E+01 -0.175E+00 -0.324E-04 +ASN 656 N 676 SER 546 N 4 0.962E+00 0.190E+00 -0.164E-02 +ASN 656 N 676 SER 546 CA 5 0.976E+00 -0.404E-01 -0.138E-02 +ASN 656 N 676 SER 546 C 6 0.869E+00 -0.199E+00 -0.245E-02 +ASN 656 N 676 SER 546 O 7 0.918E+00 0.219E+00 -0.183E-02 +ASN 656 N 676 SER 546 CB 8 0.101E+01 -0.480E-01 -0.114E-02 +ASN 656 N 676 SER 546 OG 9 0.904E+00 0.247E+00 -0.223E-02 +ASN 656 N 676 SER 546 HG 11 0.896E+00 -0.175E+00 0.000E+00 +ASN 656 N 676 GLY 547 N 12 0.740E+00 0.204E+00 -0.785E-02 +ASN 656 N 676 GLY 547 CA 13 0.631E+00 0.962E-01 -0.185E-01 +ASN 656 N 676 GLY 547 C 14 0.651E+00 -0.406E+00 -0.136E-01 +ASN 656 N 676 GLY 547 O 15 0.656E+00 0.351E+00 -0.136E-01 +ASN 656 N 676 ILE 548 N 17 0.707E+00 0.268E+00 -0.103E-01 +ASN 656 N 676 ILE 548 CA 18 0.783E+00 0.502E-01 -0.515E-02 +ASN 656 N 676 ILE 548 C 19 0.908E+00 -0.218E+00 -0.188E-02 +ASN 656 N 676 ILE 548 O 20 0.952E+00 0.221E+00 -0.148E-02 +ASN 656 N 676 ILE 548 CB 21 0.843E+00 -0.268E-01 -0.332E-02 +ASN 656 N 676 ILE 548 CG1 22 0.750E+00 -0.117E-01 -0.666E-02 +ASN 656 N 676 ILE 548 CG2 23 0.950E+00 0.464E-01 -0.162E-02 +ASN 656 N 676 ILE 548 CD1 24 0.845E+00 0.436E-01 -0.328E-02 +ASN 656 N 676 VAL 549 N 26 0.985E+00 0.152E+00 -0.142E-02 +ASN 656 N 676 GLN 550 N 34 0.100E+01 0.128E+00 -0.129E-02 +ASN 656 N 676 GLN 550 CA 35 0.990E+00 -0.124E-01 -0.127E-02 +ASN 656 N 676 GLN 550 C 36 0.963E+00 -0.147E+00 -0.133E-02 +ASN 656 N 676 GLN 550 O 37 0.105E+01 0.174E+00 -0.822E-03 +ASN 656 N 676 GLN 550 CB 38 0.890E+00 0.127E-01 -0.240E-02 +ASN 656 N 676 GLN 550 CG 39 0.957E+00 0.706E-02 -0.156E-02 +ASN 656 N 676 GLN 550 CD 40 0.104E+01 -0.208E+00 -0.827E-03 +ASN 656 N 676 GLN 550 NE2 42 0.101E+01 0.289E+00 -0.125E-02 +ASN 656 N 676 GLN 551 N 46 0.865E+00 0.160E+00 -0.310E-02 +ASN 656 N 676 GLN 551 CA 47 0.862E+00 -0.154E-01 -0.291E-02 +ASN 656 N 676 GLN 551 C 48 0.100E+01 -0.139E+00 -0.106E-02 +ASN 656 N 676 GLN 551 CB 50 0.753E+00 0.169E-01 -0.654E-02 +ASN 656 N 676 GLN 551 CG 51 0.764E+00 0.103E-01 -0.597E-02 +ASN 656 N 676 GLN 551 CD 52 0.764E+00 -0.344E+00 -0.530E-02 +ASN 656 N 676 GLN 551 OE1 53 0.814E+00 0.288E+00 -0.376E-02 +ASN 656 N 676 GLN 551 NE2 54 0.741E+00 0.480E+00 -0.780E-02 +ASN 656 N 676 ASN 554 ND2 88 0.975E+00 0.268E+00 -0.151E-02 +ASN 656 CA 677 SER 546 N 4 0.874E+00 -0.231E-01 -0.268E-02 +ASN 656 CA 677 SER 546 CA 5 0.905E+00 0.476E-02 -0.199E-02 +ASN 656 CA 677 SER 546 C 6 0.807E+00 0.236E-01 -0.351E-02 +ASN 656 CA 677 SER 546 O 7 0.863E+00 -0.253E-01 -0.245E-02 +ASN 656 CA 677 SER 546 CB 8 0.950E+00 0.549E-02 -0.149E-02 +ASN 656 CA 677 SER 546 OG 9 0.850E+00 -0.286E-01 -0.297E-02 +ASN 656 CA 677 SER 546 HG 11 0.833E+00 0.206E-01 0.000E+00 +ASN 656 CA 677 GLY 547 N 12 0.676E+00 -0.254E-01 -0.123E-01 +ASN 656 CA 677 GLY 547 CA 13 0.581E+00 -0.120E-01 -0.274E-01 +ASN 656 CA 677 GLY 547 C 14 0.591E+00 0.521E-01 -0.220E-01 +ASN 656 CA 677 GLY 547 O 15 0.614E+00 -0.421E-01 -0.186E-01 +ASN 656 CA 677 ILE 548 N 17 0.623E+00 -0.362E-01 -0.200E-01 +ASN 656 CA 677 ILE 548 CA 18 0.693E+00 -0.660E-02 -0.978E-02 +ASN 656 CA 677 ILE 548 C 19 0.829E+00 0.265E-01 -0.297E-02 +ASN 656 CA 677 ILE 548 O 20 0.881E+00 -0.261E-01 -0.217E-02 +ASN 656 CA 677 ILE 548 CB 21 0.733E+00 0.360E-02 -0.701E-02 +ASN 656 CA 677 ILE 548 CG1 22 0.627E+00 0.174E-02 -0.176E-01 +ASN 656 CA 677 ILE 548 CG2 23 0.840E+00 -0.592E-02 -0.310E-02 +ASN 656 CA 677 ILE 548 CD1 24 0.711E+00 -0.623E-02 -0.843E-02 +ASN 656 CA 677 VAL 549 N 26 0.906E+00 -0.181E-01 -0.215E-02 +ASN 656 CA 677 VAL 549 CA 27 0.104E+01 -0.170E-02 -0.875E-03 +ASN 656 CA 677 VAL 549 C 28 0.104E+01 0.146E-01 -0.767E-03 +ASN 656 CA 677 GLN 550 N 34 0.959E+00 -0.143E-01 -0.153E-02 +ASN 656 CA 677 GLN 550 CA 35 0.969E+00 0.134E-02 -0.132E-02 +ASN 656 CA 677 GLN 550 C 36 0.949E+00 0.157E-01 -0.133E-02 +ASN 656 CA 677 GLN 550 O 37 0.104E+01 -0.184E-01 -0.784E-03 +ASN 656 CA 677 GLN 550 CB 38 0.879E+00 -0.135E-02 -0.237E-02 +ASN 656 CA 677 GLN 550 CG 39 0.961E+00 -0.734E-03 -0.139E-02 +ASN 656 CA 677 GLN 550 NE2 42 0.104E+01 -0.289E-01 -0.951E-03 +ASN 656 CA 677 GLN 551 N 46 0.844E+00 -0.175E-01 -0.329E-02 +ASN 656 CA 677 GLN 551 CA 47 0.847E+00 0.166E-02 -0.295E-02 +ASN 656 CA 677 GLN 551 C 48 0.978E+00 0.150E-01 -0.111E-02 +ASN 656 CA 677 GLN 551 CB 50 0.727E+00 -0.189E-02 -0.738E-02 +ASN 656 CA 677 GLN 551 CG 51 0.742E+00 -0.114E-02 -0.650E-02 +ASN 656 CA 677 GLN 551 CD 52 0.769E+00 0.355E-01 -0.466E-02 +ASN 656 CA 677 GLN 551 OE1 53 0.834E+00 -0.290E-01 -0.302E-02 +ASN 656 CA 677 GLN 551 NE2 54 0.753E+00 -0.488E-01 -0.650E-02 +ASN 656 CA 677 GLN 552 N 58 0.102E+01 -0.130E-01 -0.106E-02 +ASN 656 CA 677 ASN 554 ND2 88 0.101E+01 -0.268E-01 -0.115E-02 +ASN 656 C 678 SER 546 N 4 0.966E+00 -0.270E+00 -0.130E-02 +ASN 656 C 678 SER 546 CA 5 0.101E+01 0.549E-01 -0.897E-03 +ASN 656 C 678 SER 546 C 6 0.926E+00 0.258E+00 -0.137E-02 +ASN 656 C 678 SER 546 O 7 0.989E+00 -0.280E+00 -0.966E-03 +ASN 656 C 678 SER 546 OG 9 0.960E+00 -0.323E+00 -0.127E-02 +ASN 656 C 678 SER 546 HG 11 0.932E+00 0.236E+00 0.000E+00 +ASN 656 C 678 GLY 547 N 12 0.795E+00 -0.257E+00 -0.417E-02 +ASN 656 C 678 GLY 547 CA 13 0.712E+00 -0.109E+00 -0.739E-02 +ASN 656 C 678 GLY 547 C 14 0.716E+00 0.484E+00 -0.634E-02 +ASN 656 C 678 GLY 547 O 15 0.744E+00 -0.395E+00 -0.531E-02 +ASN 656 C 678 ILE 548 N 17 0.729E+00 -0.363E+00 -0.700E-02 +ASN 656 C 678 ILE 548 CA 18 0.785E+00 -0.717E-01 -0.412E-02 +ASN 656 C 678 ILE 548 C 19 0.929E+00 0.302E+00 -0.134E-02 +ASN 656 C 678 ILE 548 O 20 0.979E+00 -0.303E+00 -0.102E-02 +ASN 656 C 678 ILE 548 CB 21 0.802E+00 0.419E-01 -0.362E-02 +ASN 656 C 678 ILE 548 CG1 22 0.678E+00 0.204E-01 -0.987E-02 +ASN 656 C 678 ILE 548 CG2 23 0.899E+00 -0.727E-01 -0.184E-02 +ASN 656 C 678 ILE 548 CD1 24 0.737E+00 -0.797E-01 -0.602E-02 +ASN 656 C 678 VAL 549 N 26 0.101E+01 -0.210E+00 -0.997E-03 +ASN 656 C 678 GLN 550 CB 38 0.102E+01 -0.147E-01 -0.856E-03 +ASN 656 C 678 GLN 551 N 46 0.971E+00 -0.192E+00 -0.126E-02 +ASN 656 C 678 GLN 551 CA 47 0.965E+00 0.185E-01 -0.120E-02 +ASN 656 C 678 GLN 551 CB 50 0.834E+00 -0.203E-01 -0.288E-02 +ASN 656 C 678 GLN 551 CG 51 0.831E+00 -0.127E-01 -0.294E-02 +ASN 656 C 678 GLN 551 CD 52 0.858E+00 0.403E+00 -0.216E-02 +ASN 656 C 678 GLN 551 OE1 53 0.934E+00 -0.330E+00 -0.136E-02 +ASN 656 C 678 GLN 551 NE2 54 0.825E+00 -0.569E+00 -0.336E-02 +ASN 656 O 679 SER 546 N 4 0.935E+00 0.241E+00 -0.165E-02 +ASN 656 O 679 SER 546 CA 5 0.997E+00 -0.477E-01 -0.103E-02 +ASN 656 O 679 SER 546 C 6 0.925E+00 -0.219E+00 -0.144E-02 +ASN 656 O 679 SER 546 O 7 0.100E+01 0.234E+00 -0.917E-03 +ASN 656 O 679 SER 546 CB 8 0.105E+01 -0.555E-01 -0.779E-03 +ASN 656 O 679 SER 546 OG 9 0.939E+00 0.284E+00 -0.149E-02 +ASN 656 O 679 SER 546 HG 11 0.899E+00 -0.212E+00 0.000E+00 +ASN 656 O 679 GLY 547 N 12 0.795E+00 0.218E+00 -0.434E-02 +ASN 656 O 679 GLY 547 CA 13 0.732E+00 0.875E-01 -0.656E-02 +ASN 656 O 679 GLY 547 C 14 0.745E+00 -0.381E+00 -0.523E-02 +ASN 656 O 679 GLY 547 O 15 0.791E+00 0.300E+00 -0.373E-02 +ASN 656 O 679 ILE 548 N 17 0.744E+00 0.297E+00 -0.647E-02 +ASN 656 O 679 ILE 548 CA 18 0.803E+00 0.585E-01 -0.378E-02 +ASN 656 O 679 ILE 548 C 19 0.952E+00 -0.247E+00 -0.121E-02 +ASN 656 O 679 ILE 548 O 20 0.101E+01 0.245E+00 -0.844E-03 +ASN 656 O 679 ILE 548 CB 21 0.800E+00 -0.358E-01 -0.387E-02 +ASN 656 O 679 ILE 548 CG1 22 0.664E+00 -0.180E-01 -0.117E-01 +ASN 656 O 679 ILE 548 CG2 23 0.900E+00 0.616E-01 -0.191E-02 +ASN 656 O 679 ILE 548 CD1 24 0.700E+00 0.746E-01 -0.855E-02 +ASN 656 O 679 VAL 549 N 26 0.102E+01 0.175E+00 -0.951E-03 +ASN 656 O 679 GLN 551 N 46 0.103E+01 0.148E+00 -0.898E-03 +ASN 656 O 679 GLN 551 CA 47 0.104E+01 -0.141E-01 -0.810E-03 +ASN 656 O 679 GLN 551 CB 50 0.908E+00 0.149E-01 -0.181E-02 +ASN 656 O 679 GLN 551 CG 51 0.914E+00 0.925E-02 -0.174E-02 +ASN 656 O 679 GLN 551 CD 52 0.955E+00 -0.289E+00 -0.119E-02 +ASN 656 O 679 GLN 551 OE1 53 0.103E+01 0.241E+00 -0.753E-03 +ASN 656 O 679 GLN 551 NE2 54 0.928E+00 0.399E+00 -0.172E-02 +ASN 656 CB 680 SER 546 N 4 0.838E+00 0.517E-01 -0.343E-02 +ASN 656 CB 680 SER 546 CA 5 0.865E+00 -0.107E-01 -0.261E-02 +ASN 656 CB 680 SER 546 C 6 0.756E+00 -0.553E-01 -0.516E-02 +ASN 656 CB 680 SER 546 O 7 0.798E+00 0.604E-01 -0.392E-02 +ASN 656 CB 680 SER 546 CB 8 0.931E+00 -0.118E-01 -0.168E-02 +ASN 656 CB 680 SER 546 OG 9 0.848E+00 0.600E-01 -0.301E-02 +ASN 656 CB 680 SER 546 HG 11 0.839E+00 -0.425E-01 0.000E+00 +ASN 656 CB 680 GLY 547 N 12 0.635E+00 0.602E-01 -0.179E-01 +ASN 656 CB 680 GLY 547 CA 13 0.530E+00 0.309E-01 -0.461E-01 +ASN 656 CB 680 GLY 547 C 14 0.503E+00 -0.157E+00 -0.544E-01 +ASN 656 CB 680 GLY 547 O 15 0.513E+00 0.131E+00 -0.528E-01 +ASN 656 CB 680 ILE 548 N 17 0.526E+00 0.110E+00 -0.528E-01 +ASN 656 CB 680 ILE 548 CA 18 0.574E+00 0.204E-01 -0.293E-01 +ASN 656 CB 680 ILE 548 C 19 0.708E+00 -0.737E-01 -0.761E-02 +ASN 656 CB 680 ILE 548 O 20 0.749E+00 0.723E-01 -0.573E-02 +ASN 656 CB 680 ILE 548 CB 21 0.621E+00 -0.105E-01 -0.186E-01 +ASN 656 CB 680 ILE 548 CG1 22 0.524E+00 -0.539E-02 -0.488E-01 +ASN 656 CB 680 ILE 548 CG2 23 0.716E+00 0.165E-01 -0.806E-02 +ASN 656 CB 680 ILE 548 CD1 24 0.625E+00 0.168E-01 -0.179E-01 +ASN 656 CB 680 VAL 549 N 26 0.798E+00 0.468E-01 -0.461E-02 +ASN 656 CB 680 VAL 549 CA 27 0.929E+00 0.420E-02 -0.170E-02 +ASN 656 CB 680 VAL 549 C 28 0.932E+00 -0.360E-01 -0.148E-02 +ASN 656 CB 680 VAL 549 O 29 0.102E+01 0.285E-01 -0.917E-03 +ASN 656 CB 680 VAL 549 CB 30 0.102E+01 -0.276E-01 -0.950E-03 +ASN 656 CB 680 GLN 550 N 34 0.861E+00 0.353E-01 -0.292E-02 +ASN 656 CB 680 GLN 550 CA 35 0.876E+00 -0.328E-02 -0.242E-02 +ASN 656 CB 680 GLN 550 C 36 0.843E+00 -0.397E-01 -0.270E-02 +ASN 656 CB 680 GLN 550 O 37 0.937E+00 0.451E-01 -0.150E-02 +ASN 656 CB 680 GLN 550 CB 38 0.805E+00 0.328E-02 -0.402E-02 +ASN 656 CB 680 GLN 550 CG 39 0.905E+00 0.169E-02 -0.199E-02 +ASN 656 CB 680 GLN 550 CD 40 0.996E+00 -0.485E-01 -0.993E-03 +ASN 656 CB 680 GLN 550 NE2 42 0.980E+00 0.658E-01 -0.135E-02 +ASN 656 CB 680 GLN 551 N 46 0.729E+00 0.475E-01 -0.792E-02 +ASN 656 CB 680 GLN 551 CA 47 0.721E+00 -0.464E-02 -0.774E-02 +ASN 656 CB 680 GLN 551 C 48 0.843E+00 -0.396E-01 -0.269E-02 +ASN 656 CB 680 GLN 551 O 49 0.922E+00 0.462E-01 -0.165E-02 +ASN 656 CB 680 GLN 551 CB 50 0.591E+00 0.601E-02 -0.249E-01 +ASN 656 CB 680 GLN 551 CG 51 0.600E+00 0.362E-02 -0.227E-01 +ASN 656 CB 680 GLN 551 CD 52 0.640E+00 -0.106E+00 -0.138E-01 +ASN 656 CB 680 GLN 551 OE1 53 0.715E+00 0.800E-01 -0.758E-02 +ASN 656 CB 680 GLN 551 NE2 54 0.631E+00 0.144E+00 -0.186E-01 +ASN 656 CB 680 GLN 552 N 58 0.883E+00 0.339E-01 -0.251E-02 +ASN 656 CB 680 GLN 552 CA 59 0.101E+01 -0.262E-02 -0.100E-02 +ASN 656 CB 680 GLN 552 CG 63 0.101E+01 0.142E-02 -0.101E-02 +ASN 656 CB 680 ASN 554 CG 86 0.103E+01 -0.403E-01 -0.801E-03 +ASN 656 CB 680 ASN 554 ND2 88 0.914E+00 0.648E-01 -0.204E-02 +ASN 656 CB 680 LEU 555 CG 97 0.105E+01 -0.130E-01 -0.833E-03 +ASN 656 CB 680 LEU 555 CD1 98 0.102E+01 0.863E-02 -0.970E-03 +ASN 656 CG 681 SER 546 N 4 0.749E+00 -0.392E+00 -0.598E-02 +ASN 656 CG 681 SER 546 CA 5 0.755E+00 0.843E-01 -0.522E-02 +ASN 656 CG 681 SER 546 C 6 0.634E+00 0.486E+00 -0.130E-01 +ASN 656 CG 681 SER 546 O 7 0.665E+00 -0.530E+00 -0.104E-01 +ASN 656 CG 681 SER 546 CB 8 0.819E+00 0.908E-01 -0.321E-02 +ASN 656 CG 681 SER 546 OG 9 0.745E+00 -0.468E+00 -0.577E-02 +ASN 656 CG 681 SER 546 HG 11 0.751E+00 0.322E+00 0.000E+00 +ASN 656 CG 681 GLY 547 N 12 0.518E+00 -0.586E+00 -0.512E-01 +ASN 656 CG 681 GLY 547 CA 13 0.397E+00 -0.390E+00 -0.150E+00 +ASN 656 CG 681 GLY 547 C 14 0.368E+00 0.214E+01 -0.132E+00 +ASN 656 CG 681 GLY 547 O 15 0.369E+00 -0.186E+01 -0.211E+00 +ASN 656 CG 681 ILE 548 N 17 0.417E+00 -0.120E+01 -0.150E+00 +ASN 656 CG 681 ILE 548 CA 18 0.482E+00 -0.190E+00 -0.684E-01 +ASN 656 CG 681 ILE 548 C 19 0.602E+00 0.636E+00 -0.175E-01 +ASN 656 CG 681 ILE 548 O 20 0.645E+00 -0.600E+00 -0.123E-01 +ASN 656 CG 681 ILE 548 CB 21 0.559E+00 0.816E-01 -0.303E-01 +ASN 656 CG 681 ILE 548 CG1 22 0.495E+00 0.383E-01 -0.592E-01 +ASN 656 CG 681 ILE 548 CG2 23 0.665E+00 -0.118E+00 -0.111E-01 +ASN 656 CG 681 ILE 548 CD1 24 0.620E+00 -0.106E+00 -0.166E-01 +ASN 656 CG 681 VAL 549 N 26 0.686E+00 -0.386E+00 -0.101E-01 +ASN 656 CG 681 VAL 549 CA 27 0.809E+00 -0.328E-01 -0.345E-02 +ASN 656 CG 681 VAL 549 C 28 0.799E+00 0.288E+00 -0.330E-02 +ASN 656 CG 681 VAL 549 O 29 0.884E+00 -0.220E+00 -0.188E-02 +ASN 656 CG 681 VAL 549 CB 30 0.903E+00 0.208E+00 -0.179E-02 +ASN 656 CG 681 VAL 549 CG1 31 0.103E+01 -0.387E-01 -0.809E-03 +ASN 656 CG 681 VAL 549 CG2 32 0.957E+00 -0.432E-01 -0.127E-02 +ASN 656 CG 681 GLN 550 N 34 0.720E+00 -0.302E+00 -0.755E-02 +ASN 656 CG 681 GLN 550 CA 35 0.728E+00 0.283E-01 -0.647E-02 +ASN 656 CG 681 GLN 550 C 36 0.700E+00 0.345E+00 -0.723E-02 +ASN 656 CG 681 GLN 550 O 37 0.797E+00 -0.366E+00 -0.351E-02 +ASN 656 CG 681 GLN 550 CB 38 0.652E+00 -0.303E-01 -0.124E-01 +ASN 656 CG 681 GLN 550 CG 39 0.752E+00 -0.144E-01 -0.532E-02 +ASN 656 CG 681 GLN 550 CD 40 0.844E+00 0.392E+00 -0.237E-02 +ASN 656 CG 681 GLN 550 OE1 41 0.950E+00 -0.304E+00 -0.122E-02 +ASN 656 CG 681 GLN 550 NE2 42 0.832E+00 -0.531E+00 -0.320E-02 +ASN 656 CG 681 GLN 551 N 46 0.593E+00 -0.448E+00 -0.237E-01 +ASN 656 CG 681 GLN 551 CA 47 0.601E+00 0.416E-01 -0.200E-01 +ASN 656 CG 681 GLN 551 C 48 0.733E+00 0.316E+00 -0.553E-02 +ASN 656 CG 681 GLN 551 O 49 0.818E+00 -0.350E+00 -0.300E-02 +ASN 656 CG 681 GLN 551 CB 50 0.486E+00 -0.582E-01 -0.650E-01 +ASN 656 CG 681 GLN 551 CG 51 0.529E+00 -0.298E-01 -0.412E-01 +ASN 656 CG 681 GLN 551 CD 52 0.576E+00 0.823E+00 -0.226E-01 +ASN 656 CG 681 GLN 551 OE1 53 0.634E+00 -0.631E+00 -0.137E-01 +ASN 656 CG 681 GLN 551 NE2 54 0.596E+00 -0.101E+01 -0.231E-01 +ASN 656 CG 681 GLN 552 N 58 0.773E+00 -0.265E+00 -0.493E-02 +ASN 656 CG 681 GLN 552 CA 59 0.911E+00 0.192E-01 -0.169E-02 +ASN 656 CG 681 GLN 552 C 60 0.102E+01 0.183E+00 -0.773E-03 +ASN 656 CG 681 GLN 552 CB 62 0.952E+00 -0.155E-01 -0.130E-02 +ASN 656 CG 681 GLN 552 CG 63 0.931E+00 -0.100E-01 -0.149E-02 +ASN 656 CG 681 GLN 552 CD 64 0.990E+00 0.304E+00 -0.914E-03 +ASN 656 CG 681 GLN 552 OE1 65 0.101E+01 -0.276E+00 -0.825E-03 +ASN 656 CG 681 GLN 552 NE2 66 0.104E+01 -0.375E+00 -0.838E-03 +ASN 656 CG 681 ASN 553 N 70 0.101E+01 -0.192E+00 -0.103E-02 +ASN 656 CG 681 ASN 554 N 81 0.102E+01 -0.187E+00 -0.932E-03 +ASN 656 CG 681 ASN 554 CB 85 0.939E+00 -0.464E-01 -0.142E-02 +ASN 656 CG 681 ASN 554 CG 86 0.906E+00 0.305E+00 -0.155E-02 +ASN 656 CG 681 ASN 554 OD1 87 0.100E+01 -0.236E+00 -0.888E-03 +ASN 656 CG 681 ASN 554 ND2 88 0.783E+00 -0.522E+00 -0.457E-02 +ASN 656 CG 681 LEU 555 CG 97 0.980E+00 0.888E-01 -0.109E-02 +ASN 656 CG 681 LEU 555 CD1 98 0.968E+00 -0.580E-01 -0.118E-02 +ASN 656 CG 681 LEU 555 CD2 99 0.101E+01 -0.543E-01 -0.906E-03 +ASN 656 OD1 682 SER 546 N 4 0.660E+00 0.451E+00 -0.131E-01 +ASN 656 OD1 682 SER 546 CA 5 0.661E+00 -0.981E-01 -0.120E-01 +ASN 656 OD1 682 SER 546 C 6 0.544E+00 -0.609E+00 -0.334E-01 +ASN 656 OD1 682 SER 546 O 7 0.587E+00 0.619E+00 -0.220E-01 +ASN 656 OD1 682 SER 546 CB 8 0.712E+00 -0.106E+00 -0.774E-02 +ASN 656 OD1 682 SER 546 OG 9 0.631E+00 0.586E+00 -0.160E-01 +ASN 656 OD1 682 SER 546 HG 11 0.637E+00 -0.400E+00 0.000E+00 +ASN 656 OD1 682 GLY 547 N 12 0.421E+00 0.878E+00 -0.166E+00 +ASN 656 OD1 682 GLY 547 CA 13 0.304E+00 0.731E+00 0.398E+00 +ASN 656 OD1 682 GLY 547 C 14 0.320E+00 -0.286E+01 -0.243E-01 +ASN 656 OD1 682 GLY 547 O 15 0.347E+00 0.200E+01 -0.324E+00 +ASN 656 OD1 682 ILE 548 N 17 0.383E+00 0.135E+01 -0.249E+00 +ASN 656 OD1 682 ILE 548 CA 18 0.482E+00 0.171E+00 -0.748E-01 +ASN 656 OD1 682 ILE 548 C 19 0.598E+00 -0.582E+00 -0.192E-01 +ASN 656 OD1 682 ILE 548 O 20 0.659E+00 0.518E+00 -0.111E-01 +ASN 656 OD1 682 ILE 548 CB 21 0.561E+00 -0.731E-01 -0.316E-01 +ASN 656 OD1 682 ILE 548 CG1 22 0.505E+00 -0.330E-01 -0.575E-01 +ASN 656 OD1 682 ILE 548 CG2 23 0.686E+00 0.100E+00 -0.967E-02 +ASN 656 OD1 682 ILE 548 CD1 24 0.626E+00 0.938E-01 -0.165E-01 +ASN 656 OD1 682 VAL 549 N 26 0.660E+00 0.375E+00 -0.131E-01 +ASN 656 OD1 682 VAL 549 CA 27 0.782E+00 0.315E-01 -0.444E-02 +ASN 656 OD1 682 VAL 549 C 28 0.772E+00 -0.277E+00 -0.425E-02 +ASN 656 OD1 682 VAL 549 O 29 0.866E+00 0.205E+00 -0.217E-02 +ASN 656 OD1 682 VAL 549 CB 30 0.858E+00 -0.203E+00 -0.254E-02 +ASN 656 OD1 682 VAL 549 CG1 31 0.986E+00 0.372E-01 -0.110E-02 +ASN 656 OD1 682 VAL 549 CG2 32 0.915E+00 0.418E-01 -0.173E-02 +ASN 656 OD1 682 GLN 550 N 34 0.681E+00 0.303E+00 -0.109E-01 +ASN 656 OD1 682 GLN 550 CA 35 0.690E+00 -0.283E-01 -0.932E-02 +ASN 656 OD1 682 GLN 550 C 36 0.688E+00 -0.322E+00 -0.844E-02 +ASN 656 OD1 682 GLN 550 O 37 0.792E+00 0.334E+00 -0.371E-02 +ASN 656 OD1 682 GLN 550 CB 38 0.598E+00 0.328E-01 -0.218E-01 +ASN 656 OD1 682 GLN 550 CG 39 0.685E+00 0.155E-01 -0.977E-02 +ASN 656 OD1 682 GLN 550 CD 40 0.790E+00 -0.396E+00 -0.369E-02 +ASN 656 OD1 682 GLN 550 OE1 41 0.897E+00 0.301E+00 -0.175E-02 +ASN 656 OD1 682 GLN 550 NE2 42 0.788E+00 0.527E+00 -0.459E-02 +ASN 656 OD1 682 GLN 551 N 46 0.597E+00 0.398E+00 -0.238E-01 +ASN 656 OD1 682 GLN 551 CA 47 0.634E+00 -0.336E-01 -0.155E-01 +ASN 656 OD1 682 GLN 551 C 48 0.771E+00 -0.260E+00 -0.427E-02 +ASN 656 OD1 682 GLN 551 O 49 0.864E+00 0.287E+00 -0.219E-02 +ASN 656 OD1 682 GLN 551 CB 50 0.541E+00 0.410E-01 -0.391E-01 +ASN 656 OD1 682 GLN 551 CG 51 0.611E+00 0.196E-01 -0.191E-01 +ASN 656 OD1 682 GLN 551 CD 52 0.662E+00 -0.554E+00 -0.106E-01 +ASN 656 OD1 682 GLN 551 OE1 53 0.705E+00 0.461E+00 -0.744E-02 +ASN 656 OD1 682 GLN 551 NE2 54 0.696E+00 0.663E+00 -0.959E-02 +ASN 656 OD1 682 GLN 552 N 58 0.805E+00 0.223E+00 -0.404E-02 +ASN 656 OD1 682 GLN 552 CA 59 0.945E+00 -0.163E-01 -0.143E-02 +ASN 656 OD1 682 GLN 552 C 60 0.105E+01 -0.159E+00 -0.692E-03 +ASN 656 OD1 682 GLN 552 CB 62 0.977E+00 0.134E-01 -0.117E-02 +ASN 656 OD1 682 GLN 552 CG 63 0.968E+00 0.850E-02 -0.123E-02 +ASN 656 OD1 682 GLN 552 CD 64 0.102E+01 -0.263E+00 -0.797E-03 +ASN 656 OD1 682 GLN 552 OE1 65 0.103E+01 0.243E+00 -0.763E-03 +ASN 656 OD1 682 ASN 553 N 70 0.102E+01 0.170E+00 -0.987E-03 +ASN 656 OD1 682 ASN 554 N 81 0.104E+01 0.164E+00 -0.859E-03 +ASN 656 OD1 682 ASN 554 CB 85 0.970E+00 0.398E-01 -0.122E-02 +ASN 656 OD1 682 ASN 554 CG 86 0.920E+00 -0.269E+00 -0.149E-02 +ASN 656 OD1 682 ASN 554 OD1 87 0.101E+01 0.212E+00 -0.884E-03 +ASN 656 OD1 682 ASN 554 ND2 88 0.791E+00 0.463E+00 -0.447E-02 +ASN 656 ND2 683 SER 546 N 4 0.797E+00 0.469E+00 -0.505E-02 +ASN 656 ND2 683 SER 546 CA 5 0.787E+00 -0.105E+00 -0.502E-02 +ASN 656 ND2 683 SER 546 C 6 0.653E+00 -0.612E+00 -0.135E-01 +ASN 656 ND2 683 SER 546 O 7 0.659E+00 0.721E+00 -0.133E-01 +ASN 656 ND2 683 SER 546 CB 8 0.858E+00 -0.112E+00 -0.298E-02 +ASN 656 ND2 683 SER 546 OG 9 0.802E+00 0.550E+00 -0.458E-02 +ASN 656 ND2 683 SER 546 HG 11 0.820E+00 -0.368E+00 0.000E+00 +ASN 656 ND2 683 GLY 547 N 12 0.554E+00 0.671E+00 -0.430E-01 +ASN 656 ND2 683 GLY 547 CA 13 0.421E+00 0.450E+00 -0.163E+00 +ASN 656 ND2 683 GLY 547 C 14 0.357E+00 -0.313E+01 -0.178E+00 +ASN 656 ND2 683 GLY 547 O 15 0.315E+00 0.386E+01 -0.100E+00 +ASN 656 ND2 683 ILE 548 N 17 0.418E+00 0.160E+01 -0.190E+00 +ASN 656 ND2 683 ILE 548 CA 18 0.458E+00 0.288E+00 -0.111E+00 +ASN 656 ND2 683 ILE 548 C 19 0.557E+00 -0.101E+01 -0.340E-01 +ASN 656 ND2 683 ILE 548 O 20 0.577E+00 0.102E+01 -0.291E-01 +ASN 656 ND2 683 ILE 548 CB 21 0.559E+00 -0.109E+00 -0.374E-01 +ASN 656 ND2 683 ILE 548 CG1 22 0.524E+00 -0.449E-01 -0.542E-01 +ASN 656 ND2 683 ILE 548 CG2 23 0.647E+00 0.168E+00 -0.160E-01 +ASN 656 ND2 683 ILE 548 CD1 24 0.664E+00 0.124E+00 -0.138E-01 +ASN 656 ND2 683 VAL 549 N 26 0.652E+00 0.571E+00 -0.167E-01 +ASN 656 ND2 683 VAL 549 CA 27 0.763E+00 0.487E-01 -0.601E-02 +ASN 656 ND2 683 VAL 549 C 28 0.737E+00 -0.447E+00 -0.658E-02 +ASN 656 ND2 683 VAL 549 O 29 0.809E+00 0.342E+00 -0.390E-02 +ASN 656 ND2 683 VAL 549 CB 30 0.872E+00 -0.294E+00 -0.271E-02 +ASN 656 ND2 683 VAL 549 CG1 31 0.990E+00 0.549E-01 -0.127E-02 +ASN 656 ND2 683 VAL 549 CG2 32 0.938E+00 0.596E-01 -0.175E-02 +ASN 656 ND2 683 GLN 550 N 34 0.663E+00 0.475E+00 -0.151E-01 +ASN 656 ND2 683 GLN 550 CA 35 0.658E+00 -0.460E-01 -0.144E-01 +ASN 656 ND2 683 GLN 550 C 36 0.607E+00 -0.616E+00 -0.205E-01 +ASN 656 ND2 683 GLN 550 O 37 0.695E+00 0.632E+00 -0.971E-02 +ASN 656 ND2 683 GLN 550 CB 38 0.598E+00 0.487E-01 -0.254E-01 +ASN 656 ND2 683 GLN 550 CG 39 0.707E+00 0.216E-01 -0.947E-02 +ASN 656 ND2 683 GLN 550 CD 40 0.782E+00 -0.600E+00 -0.463E-02 +ASN 656 ND2 683 GLN 550 OE1 41 0.885E+00 0.456E+00 -0.228E-02 +ASN 656 ND2 683 GLN 550 NE2 42 0.761E+00 0.833E+00 -0.667E-02 +ASN 656 ND2 683 GLN 551 N 46 0.492E+00 0.914E+00 -0.838E-01 +ASN 656 ND2 683 GLN 551 CA 47 0.481E+00 -0.923E-01 -0.857E-01 +ASN 656 ND2 683 GLN 551 C 48 0.613E+00 -0.603E+00 -0.194E-01 +ASN 656 ND2 683 GLN 551 O 49 0.693E+00 0.636E+00 -0.989E-02 +ASN 656 ND2 683 GLN 551 CB 50 0.365E+00 0.163E+00 -0.216E+00 +ASN 656 ND2 683 GLN 551 CG 51 0.404E+00 0.774E-01 -0.190E+00 +ASN 656 ND2 683 GLN 551 CD 52 0.446E+00 -0.201E+01 -0.111E+00 +ASN 656 ND2 683 GLN 551 OE1 53 0.502E+00 0.142E+01 -0.650E-01 +ASN 656 ND2 683 GLN 551 NE2 54 0.477E+00 0.225E+01 -0.996E-01 +ASN 656 ND2 683 GLN 552 N 58 0.666E+00 0.471E+00 -0.147E-01 +ASN 656 ND2 683 GLN 552 CA 59 0.805E+00 -0.315E-01 -0.437E-02 +ASN 656 ND2 683 GLN 552 C 60 0.908E+00 -0.292E+00 -0.189E-02 +ASN 656 ND2 683 GLN 552 O 61 0.101E+01 0.336E+00 -0.106E-02 +ASN 656 ND2 683 GLN 552 CB 62 0.860E+00 0.244E-01 -0.294E-02 +ASN 656 ND2 683 GLN 552 CG 63 0.845E+00 0.157E-01 -0.327E-02 +ASN 656 ND2 683 GLN 552 CD 64 0.920E+00 -0.456E+00 -0.174E-02 +ASN 656 ND2 683 GLN 552 OE1 65 0.953E+00 0.406E+00 -0.146E-02 +ASN 656 ND2 683 GLN 552 NE2 66 0.975E+00 0.551E+00 -0.151E-02 +ASN 656 ND2 683 ASN 553 N 70 0.898E+00 0.305E+00 -0.247E-02 +ASN 656 ND2 683 ASN 553 CA 71 0.100E+01 -0.269E-01 -0.116E-02 +ASN 656 ND2 683 ASN 553 C 72 0.101E+01 -0.366E+00 -0.100E-02 +ASN 656 ND2 683 ASN 553 CB 74 0.101E+01 0.554E-01 -0.110E-02 +ASN 656 ND2 683 ASN 554 N 81 0.902E+00 0.303E+00 -0.242E-02 +ASN 656 ND2 683 ASN 554 CA 82 0.928E+00 -0.303E-01 -0.187E-02 +ASN 656 ND2 683 ASN 554 C 83 0.988E+00 -0.378E+00 -0.114E-02 +ASN 656 ND2 683 ASN 554 CB 85 0.813E+00 0.787E-01 -0.412E-02 +ASN 656 ND2 683 ASN 554 CG 86 0.790E+00 -0.515E+00 -0.435E-02 +ASN 656 ND2 683 ASN 554 OD1 87 0.891E+00 0.378E+00 -0.219E-02 +ASN 656 ND2 683 ASN 554 ND2 88 0.672E+00 0.935E+00 -0.140E-01 +ASN 656 ND2 683 LEU 555 N 92 0.948E+00 0.231E+00 -0.179E-02 +ASN 656 ND2 683 LEU 555 CA 93 0.103E+01 0.583E-01 -0.101E-02 +ASN 656 ND2 683 LEU 555 CB 96 0.980E+00 0.892E-01 -0.135E-02 +ASN 656 ND2 683 LEU 555 CG 97 0.854E+00 -0.148E+00 -0.307E-02 +ASN 656 ND2 683 LEU 555 CD1 98 0.851E+00 0.954E-01 -0.314E-02 +ASN 656 ND2 683 LEU 555 CD2 99 0.884E+00 0.896E-01 -0.250E-02 +GLU 657 N 687 SER 546 C 6 0.104E+01 -0.148E+00 -0.826E-03 +GLU 657 N 687 GLY 547 N 12 0.914E+00 0.140E+00 -0.223E-02 +GLU 657 N 687 GLY 547 CA 13 0.820E+00 0.576E-01 -0.391E-02 +GLU 657 N 687 GLY 547 C 14 0.813E+00 -0.263E+00 -0.366E-02 +GLU 657 N 687 GLY 547 O 15 0.826E+00 0.225E+00 -0.346E-02 +GLU 657 N 687 ILE 548 N 17 0.830E+00 0.197E+00 -0.397E-02 +GLU 657 N 687 ILE 548 CA 18 0.873E+00 0.409E-01 -0.269E-02 +GLU 657 N 687 ILE 548 C 19 0.101E+01 -0.181E+00 -0.978E-03 +GLU 657 N 687 ILE 548 CB 21 0.895E+00 -0.239E-01 -0.233E-02 +GLU 657 N 687 ILE 548 CG1 22 0.772E+00 -0.109E-01 -0.563E-02 +GLU 657 N 687 ILE 548 CG2 23 0.978E+00 0.437E-01 -0.137E-02 +GLU 657 N 687 ILE 548 CD1 24 0.832E+00 0.440E-01 -0.360E-02 +GLU 657 N 687 GLN 551 N 46 0.103E+01 0.120E+00 -0.108E-02 +GLU 657 N 687 GLN 551 CA 47 0.101E+01 -0.119E-01 -0.114E-02 +GLU 657 N 687 GLN 551 CB 50 0.873E+00 0.129E-01 -0.270E-02 +GLU 657 N 687 GLN 551 CG 51 0.847E+00 0.845E-02 -0.323E-02 +GLU 657 N 687 GLN 551 CD 52 0.857E+00 -0.277E+00 -0.268E-02 +GLU 657 N 687 GLN 551 OE1 53 0.936E+00 0.226E+00 -0.163E-02 +GLU 657 N 687 GLN 551 NE2 54 0.804E+00 0.408E+00 -0.480E-02 +GLU 657 CA 688 GLY 547 N 12 0.104E+01 -0.874E-02 -0.967E-03 +GLU 657 CA 688 GLY 547 CA 13 0.951E+00 -0.342E-02 -0.148E-02 +GLU 657 CA 688 GLY 547 C 14 0.943E+00 0.156E-01 -0.138E-02 +GLU 657 CA 688 GLY 547 O 15 0.961E+00 -0.133E-01 -0.129E-02 +GLU 657 CA 688 ILE 548 N 17 0.949E+00 -0.120E-01 -0.164E-02 +GLU 657 CA 688 ILE 548 CA 18 0.985E+00 -0.257E-02 -0.120E-02 +GLU 657 CA 688 ILE 548 CB 21 0.990E+00 0.155E-02 -0.117E-02 +GLU 657 CA 688 ILE 548 CG1 22 0.857E+00 0.690E-03 -0.276E-02 +GLU 657 CA 688 ILE 548 CD1 24 0.896E+00 -0.294E-02 -0.211E-02 +GLU 657 CA 688 GLN 551 CB 50 0.999E+00 -0.789E-03 -0.111E-02 +GLU 657 CA 688 GLN 551 CG 51 0.962E+00 -0.521E-03 -0.138E-02 +GLU 657 CA 688 GLN 551 CD 52 0.972E+00 0.171E-01 -0.115E-02 +GLU 657 CA 688 GLN 551 NE2 54 0.909E+00 -0.251E-01 -0.211E-02 +GLU 657 C 689 GLY 547 CA 13 0.100E+01 -0.465E-01 -0.960E-03 +GLU 657 C 689 GLY 547 C 14 0.101E+01 0.206E+00 -0.790E-03 +GLU 657 C 689 GLY 547 O 15 0.104E+01 -0.173E+00 -0.701E-03 +GLU 657 C 689 ILE 548 N 17 0.102E+01 -0.157E+00 -0.920E-03 +GLU 657 C 689 ILE 548 CG1 22 0.940E+00 0.873E-02 -0.141E-02 +GLU 657 C 689 ILE 548 CD1 24 0.970E+00 -0.382E-01 -0.116E-02 +GLU 657 C 689 GLN 551 NE2 54 0.104E+01 -0.301E+00 -0.830E-03 +GLU 657 O 690 ILE 548 CG1 22 0.971E+00 -0.105E-01 -0.121E-02 +GLU 657 O 690 ILE 548 CD1 24 0.982E+00 0.473E-01 -0.113E-02 +GLU 657 CB 691 GLY 547 C 14 0.104E+01 0.317E-01 -0.768E-03 +GLU 657 CB 691 GLY 547 O 15 0.104E+01 -0.276E-01 -0.789E-03 +GLU 657 CB 691 ILE 548 CG1 22 0.963E+00 0.134E-02 -0.137E-02 +GLU 657 CB 691 ILE 548 CD1 24 0.101E+01 -0.575E-02 -0.104E-02 +GLU 657 CB 691 GLN 551 CB 50 0.104E+01 -0.174E-02 -0.855E-03 +GLU 657 CB 691 GLN 551 CG 51 0.986E+00 -0.118E-02 -0.119E-02 +GLU 657 CB 691 GLN 551 CD 52 0.979E+00 0.398E-01 -0.111E-02 +GLU 657 CB 691 GLN 551 NE2 54 0.898E+00 -0.601E-01 -0.228E-02 +GLU 657 CG 692 GLY 547 C 14 0.102E+01 -0.147E-01 -0.858E-03 +GLU 657 CG 692 GLY 547 O 15 0.101E+01 0.131E-01 -0.944E-03 +GLU 657 CG 692 ILE 548 N 17 0.103E+01 0.113E-01 -0.101E-02 +GLU 657 CG 692 ILE 548 CA 18 0.104E+01 0.254E-02 -0.891E-03 +GLU 657 CG 692 ILE 548 CB 21 0.105E+01 -0.151E-02 -0.818E-03 +GLU 657 CG 692 ILE 548 CG1 22 0.931E+00 -0.641E-03 -0.168E-02 +GLU 657 CG 692 ILE 548 CD1 24 0.983E+00 0.271E-02 -0.121E-02 +GLU 657 CG 692 GLN 551 CB 50 0.969E+00 0.877E-03 -0.132E-02 +GLU 657 CG 692 GLN 551 CG 51 0.895E+00 0.621E-03 -0.213E-02 +GLU 657 CG 692 GLN 551 CD 52 0.885E+00 -0.211E-01 -0.202E-02 +GLU 657 CG 692 GLN 551 OE1 53 0.978E+00 0.170E-01 -0.116E-02 +GLU 657 CG 692 GLN 551 NE2 54 0.795E+00 0.335E-01 -0.472E-02 +GLU 657 CD 693 GLN 551 CB 50 0.104E+01 -0.177E-01 -0.761E-03 +GLU 657 CD 693 GLN 551 CG 51 0.951E+00 -0.127E-01 -0.131E-02 +GLU 657 CD 693 GLN 551 CD 52 0.922E+00 0.445E+00 -0.140E-02 +GLU 657 CD 693 GLN 551 OE1 53 0.101E+01 -0.363E+00 -0.843E-03 +GLU 657 CD 693 GLN 551 NE2 54 0.817E+00 -0.718E+00 -0.356E-02 +GLU 657 OE1 694 GLN 551 CD 52 0.102E+01 -0.411E+00 -0.801E-03 +GLU 657 OE1 694 GLN 551 NE2 54 0.913E+00 0.643E+00 -0.190E-02 +GLU 657 OE2 695 GLN 551 CB 50 0.101E+01 0.200E-01 -0.965E-03 +GLU 657 OE2 695 GLN 551 CG 51 0.904E+00 0.148E-01 -0.187E-02 +GLU 657 OE2 695 GLN 551 CD 52 0.871E+00 -0.525E+00 -0.206E-02 +GLU 657 OE2 695 GLN 551 OE1 53 0.964E+00 0.421E+00 -0.114E-02 +GLU 657 OE2 695 GLN 551 NE2 54 0.758E+00 0.883E+00 -0.576E-02 +GLN 658 N 697 GLY 547 CA 13 0.992E+00 0.388E-01 -0.125E-02 +GLN 658 N 697 GLY 547 C 14 0.102E+01 -0.168E+00 -0.945E-03 +GLN 658 N 697 GLY 547 O 15 0.104E+01 0.142E+00 -0.847E-03 +GLN 658 N 697 ILE 548 N 17 0.104E+01 0.126E+00 -0.100E-02 +GLN 658 N 697 ILE 548 CG1 22 0.996E+00 -0.658E-02 -0.122E-02 +GLN 658 N 697 ILE 548 CD1 24 0.104E+01 0.285E-01 -0.954E-03 +GLN 658 C 699 GLY 547 CA 13 0.101E+01 -0.409E-01 -0.909E-03 +GLN 658 C 699 ILE 548 CG1 22 0.103E+01 0.674E-02 -0.791E-03 +GLU 659 N 709 SER 546 OG 9 0.996E+00 0.209E+00 -0.125E-02 +GLU 659 N 709 SER 546 HG 11 0.946E+00 -0.158E+00 0.000E+00 +GLU 659 N 709 GLY 547 N 12 0.930E+00 0.136E+00 -0.201E-02 +GLU 659 N 709 GLY 547 CA 13 0.884E+00 0.508E-01 -0.251E-02 +GLU 659 N 709 GLY 547 C 14 0.943E+00 -0.207E+00 -0.151E-02 +GLU 659 N 709 GLY 547 O 15 0.998E+00 0.166E+00 -0.111E-02 +GLU 659 N 709 ILE 548 N 17 0.960E+00 0.156E+00 -0.166E-02 +GLU 659 N 709 ILE 548 CA 18 0.105E+01 0.310E-01 -0.898E-03 +GLU 659 N 709 ILE 548 CG1 22 0.922E+00 -0.810E-02 -0.194E-02 +GLU 659 N 709 ILE 548 CD1 24 0.948E+00 0.356E-01 -0.165E-02 +GLU 659 CA 710 SER 546 N 4 0.977E+00 -0.138E-01 -0.138E-02 +GLU 659 CA 710 SER 546 CA 5 0.105E+01 0.272E-02 -0.835E-03 +GLU 659 CA 710 SER 546 C 6 0.101E+01 0.117E-01 -0.908E-03 +GLU 659 CA 710 SER 546 OG 9 0.921E+00 -0.178E-01 -0.183E-02 +GLU 659 CA 710 SER 546 HG 11 0.862E+00 0.138E-01 0.000E+00 +GLU 659 CA 710 GLY 547 N 12 0.884E+00 -0.111E-01 -0.249E-02 +GLU 659 CA 710 GLY 547 CA 13 0.861E+00 -0.401E-02 -0.268E-02 +GLU 659 CA 710 GLY 547 C 14 0.931E+00 0.159E-01 -0.149E-02 +GLU 659 CA 710 GLY 547 O 15 0.100E+01 -0.125E-01 -0.101E-02 +GLU 659 CA 710 ILE 548 N 17 0.938E+00 -0.122E-01 -0.175E-02 +GLU 659 CA 710 ILE 548 CA 18 0.103E+01 -0.239E-02 -0.898E-03 +GLU 659 CA 710 ILE 548 CB 21 0.102E+01 0.147E-02 -0.950E-03 +GLU 659 CA 710 ILE 548 CG1 22 0.896E+00 0.641E-03 -0.211E-02 +GLU 659 CA 710 ILE 548 CD1 24 0.907E+00 -0.288E-02 -0.196E-02 +GLU 659 C 711 SER 546 N 4 0.987E+00 -0.199E+00 -0.115E-02 +GLU 659 C 711 SER 546 OG 9 0.970E+00 -0.242E+00 -0.120E-02 +GLU 659 C 711 SER 546 HG 11 0.902E+00 0.189E+00 0.000E+00 +GLU 659 C 711 GLY 547 N 12 0.928E+00 -0.152E+00 -0.166E-02 +GLU 659 C 711 GLY 547 CA 13 0.916E+00 -0.533E-01 -0.164E-02 +GLU 659 C 711 GLY 547 C 14 0.973E+00 0.219E+00 -0.101E-02 +GLU 659 C 711 ILE 548 N 17 0.960E+00 -0.173E+00 -0.135E-02 +GLU 659 C 711 ILE 548 CA 18 0.104E+01 -0.347E-01 -0.758E-03 +GLU 659 C 711 ILE 548 CB 21 0.101E+01 0.221E-01 -0.912E-03 +GLU 659 C 711 ILE 548 CG1 22 0.873E+00 0.982E-02 -0.219E-02 +GLU 659 C 711 ILE 548 CD1 24 0.860E+00 -0.463E-01 -0.240E-02 +GLU 659 O 712 SER 546 N 4 0.985E+00 0.252E+00 -0.120E-02 +GLU 659 O 712 SER 546 OG 9 0.974E+00 0.303E+00 -0.120E-02 +GLU 659 O 712 SER 546 HG 11 0.898E+00 -0.240E+00 0.000E+00 +GLU 659 O 712 GLY 547 N 12 0.959E+00 0.182E+00 -0.141E-02 +GLU 659 O 712 GLY 547 CA 13 0.965E+00 0.620E-01 -0.126E-02 +GLU 659 O 712 GLY 547 C 14 0.103E+01 -0.254E+00 -0.760E-03 +GLU 659 O 712 ILE 548 N 17 0.101E+01 0.203E+00 -0.105E-02 +GLU 659 O 712 ILE 548 CB 21 0.105E+01 -0.264E-01 -0.766E-03 +GLU 659 O 712 ILE 548 CG1 22 0.913E+00 -0.115E-01 -0.175E-02 +GLU 659 O 712 ILE 548 CD1 24 0.884E+00 0.557E-01 -0.213E-02 +GLU 659 CB 713 SER 546 N 4 0.836E+00 -0.414E-01 -0.349E-02 +GLU 659 CB 713 SER 546 CA 5 0.900E+00 0.801E-02 -0.206E-02 +GLU 659 CB 713 SER 546 C 6 0.864E+00 0.350E-01 -0.233E-02 +GLU 659 CB 713 SER 546 O 7 0.965E+00 -0.353E-01 -0.126E-02 +GLU 659 CB 713 SER 546 CB 8 0.902E+00 0.994E-02 -0.204E-02 +GLU 659 CB 713 SER 546 OG 9 0.773E+00 -0.563E-01 -0.526E-02 +GLU 659 CB 713 SER 546 HG 11 0.716E+00 0.452E-01 0.000E+00 +GLU 659 CB 713 GLY 547 N 12 0.738E+00 -0.358E-01 -0.734E-02 +GLU 659 CB 713 GLY 547 CA 13 0.720E+00 -0.129E-01 -0.781E-02 +GLU 659 CB 713 GLY 547 C 14 0.799E+00 0.481E-01 -0.371E-02 +GLU 659 CB 713 GLY 547 O 15 0.875E+00 -0.361E-01 -0.226E-02 +GLU 659 CB 713 ILE 548 N 17 0.810E+00 -0.364E-01 -0.420E-02 +GLU 659 CB 713 ILE 548 CA 18 0.915E+00 -0.673E-02 -0.186E-02 +GLU 659 CB 713 ILE 548 CB 21 0.913E+00 0.411E-02 -0.189E-02 +GLU 659 CB 713 ILE 548 CG1 22 0.796E+00 0.183E-02 -0.427E-02 +GLU 659 CB 713 ILE 548 CG2 23 0.105E+01 -0.703E-02 -0.838E-03 +GLU 659 CB 713 ILE 548 CD1 24 0.819E+00 -0.801E-02 -0.362E-02 +GLU 659 CG 714 SER 546 N 4 0.768E+00 0.218E-01 -0.579E-02 +GLU 659 CG 714 SER 546 CA 5 0.840E+00 -0.406E-02 -0.311E-02 +GLU 659 CG 714 SER 546 C 6 0.829E+00 -0.170E-01 -0.298E-02 +GLU 659 CG 714 SER 546 O 7 0.940E+00 0.167E-01 -0.147E-02 +GLU 659 CG 714 SER 546 CB 8 0.829E+00 -0.517E-02 -0.336E-02 +GLU 659 CG 714 SER 546 OG 9 0.700E+00 0.307E-01 -0.950E-02 +GLU 659 CG 714 SER 546 HG 11 0.631E+00 -0.263E-01 0.000E+00 +GLU 659 CG 714 GLY 547 N 12 0.714E+00 0.173E-01 -0.894E-02 +GLU 659 CG 714 GLY 547 CA 13 0.726E+00 0.577E-02 -0.744E-02 +GLU 659 CG 714 GLY 547 C 14 0.820E+00 -0.208E-01 -0.318E-02 +GLU 659 CG 714 GLY 547 O 15 0.910E+00 0.154E-01 -0.179E-02 +GLU 659 CG 714 ILE 548 N 17 0.823E+00 0.161E-01 -0.383E-02 +GLU 659 CG 714 ILE 548 CA 18 0.936E+00 0.295E-02 -0.163E-02 +GLU 659 CG 714 ILE 548 CB 21 0.924E+00 -0.183E-02 -0.176E-02 +GLU 659 CG 714 ILE 548 CG1 22 0.816E+00 -0.796E-03 -0.370E-02 +GLU 659 CG 714 ILE 548 CD1 24 0.825E+00 0.359E-02 -0.347E-02 +GLU 659 CD 715 SER 546 N 4 0.632E+00 -0.716E+00 -0.163E-01 +GLU 659 CD 715 SER 546 CA 5 0.696E+00 0.129E+00 -0.848E-02 +GLU 659 CD 715 SER 546 C 6 0.689E+00 0.538E+00 -0.796E-02 +GLU 659 CD 715 SER 546 O 7 0.802E+00 -0.488E+00 -0.339E-02 +GLU 659 CD 715 SER 546 CB 8 0.678E+00 0.169E+00 -0.983E-02 +GLU 659 CD 715 SER 546 OG 9 0.548E+00 -0.115E+01 -0.354E-01 +GLU 659 CD 715 SER 546 HG 11 0.480E+00 0.109E+01 0.000E+00 +GLU 659 CD 715 GLY 547 N 12 0.579E+00 -0.596E+00 -0.271E-01 +GLU 659 CD 715 GLY 547 CA 13 0.605E+00 -0.187E+00 -0.192E-01 +GLU 659 CD 715 GLY 547 C 14 0.712E+00 0.606E+00 -0.654E-02 +GLU 659 CD 715 GLY 547 O 15 0.808E+00 -0.421E+00 -0.322E-02 +GLU 659 CD 715 ILE 548 N 17 0.720E+00 -0.461E+00 -0.757E-02 +GLU 659 CD 715 ILE 548 CA 18 0.842E+00 -0.787E-01 -0.271E-02 +GLU 659 CD 715 ILE 548 C 19 0.963E+00 0.354E+00 -0.108E-02 +GLU 659 CD 715 ILE 548 CB 21 0.839E+00 0.481E-01 -0.277E-02 +GLU 659 CD 715 ILE 548 CG1 22 0.750E+00 0.208E-01 -0.540E-02 +GLU 659 CD 715 ILE 548 CG2 23 0.984E+00 -0.783E-01 -0.107E-02 +GLU 659 CD 715 ILE 548 CD1 24 0.771E+00 -0.908E-01 -0.458E-02 +GLU 659 CD 715 VAL 549 N 26 0.964E+00 -0.280E+00 -0.132E-02 +GLU 659 CD 715 GLN 550 N 34 0.103E+01 -0.217E+00 -0.871E-03 +GLU 659 CD 715 GLN 550 CB 38 0.964E+00 -0.199E-01 -0.121E-02 +GLU 659 CD 715 GLN 550 CG 39 0.100E+01 -0.117E-01 -0.966E-03 +GLU 659 OE1 716 SER 546 N 4 0.592E+00 0.885E+00 -0.249E-01 +GLU 659 OE1 716 SER 546 CA 5 0.639E+00 -0.164E+00 -0.147E-01 +GLU 659 OE1 716 SER 546 C 6 0.609E+00 -0.743E+00 -0.173E-01 +GLU 659 OE1 716 SER 546 O 7 0.715E+00 0.648E+00 -0.683E-02 +GLU 659 OE1 716 SER 546 CB 8 0.629E+00 -0.211E+00 -0.161E-01 +GLU 659 OE1 716 SER 546 OG 9 0.499E+00 0.155E+01 -0.633E-01 +GLU 659 OE1 716 SER 546 HG 11 0.448E+00 -0.140E+01 0.000E+00 +GLU 659 OE1 716 GLY 547 N 12 0.490E+00 0.941E+00 -0.741E-01 +GLU 659 OE1 716 GLY 547 CA 13 0.497E+00 0.315E+00 -0.631E-01 +GLU 659 OE1 716 GLY 547 C 14 0.605E+00 -0.907E+00 -0.180E-01 +GLU 659 OE1 716 GLY 547 O 15 0.695E+00 0.599E+00 -0.807E-02 +GLU 659 OE1 716 ILE 548 N 17 0.626E+00 0.656E+00 -0.180E-01 +GLU 659 OE1 716 ILE 548 CA 18 0.754E+00 0.103E+00 -0.553E-02 +GLU 659 OE1 716 ILE 548 C 19 0.873E+00 -0.446E+00 -0.204E-02 +GLU 659 OE1 716 ILE 548 O 20 0.973E+00 0.409E+00 -0.108E-02 +GLU 659 OE1 716 ILE 548 CB 21 0.768E+00 -0.605E-01 -0.493E-02 +GLU 659 OE1 716 ILE 548 CG1 22 0.687E+00 -0.265E-01 -0.961E-02 +GLU 659 OE1 716 ILE 548 CG2 23 0.915E+00 0.943E-01 -0.173E-02 +GLU 659 OE1 716 ILE 548 CD1 24 0.731E+00 0.108E+00 -0.665E-02 +GLU 659 OE1 716 VAL 549 N 26 0.880E+00 0.348E+00 -0.236E-02 +GLU 659 OE1 716 VAL 549 CA 27 0.100E+01 0.329E-01 -0.101E-02 +GLU 659 OE1 716 VAL 549 C 28 0.103E+01 -0.273E+00 -0.772E-03 +GLU 659 OE1 716 VAL 549 CB 30 0.102E+01 -0.244E+00 -0.923E-03 +GLU 659 OE1 716 VAL 549 CG2 32 0.104E+01 0.539E-01 -0.807E-03 +GLU 659 OE1 716 GLN 550 N 34 0.934E+00 0.272E+00 -0.166E-02 +GLU 659 OE1 716 GLN 550 CA 35 0.966E+00 -0.247E-01 -0.125E-02 +GLU 659 OE1 716 GLN 550 C 36 0.102E+01 -0.257E+00 -0.787E-03 +GLU 659 OE1 716 GLN 550 CB 38 0.854E+00 0.260E-01 -0.262E-02 +GLU 659 OE1 716 GLN 550 CG 39 0.894E+00 0.151E-01 -0.199E-02 +GLU 659 OE1 716 GLN 550 CD 40 0.103E+01 -0.406E+00 -0.757E-03 +GLU 659 OE1 716 GLN 551 N 46 0.964E+00 0.259E+00 -0.137E-02 +GLU 659 OE1 716 GLN 551 CA 47 0.104E+01 -0.222E-01 -0.815E-03 +GLU 659 OE1 716 GLN 551 CB 50 0.962E+00 0.215E-01 -0.129E-02 +GLU 659 OE1 716 GLN 551 CG 51 0.105E+01 0.119E-01 -0.779E-03 +GLU 659 OE2 717 SER 546 N 4 0.590E+00 0.893E+00 -0.256E-01 +GLU 659 OE2 717 SER 546 CA 5 0.659E+00 -0.155E+00 -0.123E-01 +GLU 659 OE2 717 SER 546 C 6 0.678E+00 -0.598E+00 -0.920E-02 +GLU 659 OE2 717 SER 546 O 7 0.796E+00 0.532E+00 -0.359E-02 +GLU 659 OE2 717 SER 546 CB 8 0.628E+00 -0.212E+00 -0.163E-01 +GLU 659 OE2 717 SER 546 OG 9 0.502E+00 0.152E+01 -0.611E-01 +GLU 659 OE2 717 SER 546 HG 11 0.423E+00 -0.162E+01 0.000E+00 +GLU 659 OE2 717 GLY 547 N 12 0.585E+00 0.627E+00 -0.267E-01 +GLU 659 OE2 717 GLY 547 CA 13 0.639E+00 0.180E+00 -0.148E-01 +GLU 659 OE2 717 GLY 547 C 14 0.753E+00 -0.588E+00 -0.492E-02 +GLU 659 OE2 717 GLY 547 O 15 0.857E+00 0.411E+00 -0.231E-02 +GLU 659 OE2 717 ILE 548 N 17 0.753E+00 0.456E+00 -0.599E-02 +GLU 659 OE2 717 ILE 548 CA 18 0.878E+00 0.791E-01 -0.222E-02 +GLU 659 OE2 717 ILE 548 C 19 0.988E+00 -0.367E+00 -0.967E-03 +GLU 659 OE2 717 ILE 548 CB 21 0.867E+00 -0.491E-01 -0.239E-02 +GLU 659 OE2 717 ILE 548 CG1 22 0.790E+00 -0.204E-01 -0.417E-02 +GLU 659 OE2 717 ILE 548 CG2 23 0.101E+01 0.809E-01 -0.945E-03 +GLU 659 OE2 717 ILE 548 CD1 24 0.800E+00 0.917E-01 -0.387E-02 +GLU 659 OE2 717 VAL 549 N 26 0.973E+00 0.297E+00 -0.129E-02 +GLU 659 OE2 717 GLN 550 N 34 0.105E+01 0.230E+00 -0.839E-03 +GLU 659 OE2 717 GLN 550 CB 38 0.987E+00 0.207E-01 -0.110E-02 +GLU 659 OE2 717 GLN 550 CG 39 0.102E+01 0.124E-01 -0.920E-03 +LEU 660 N 719 SER 546 N 4 0.101E+01 0.145E+00 -0.122E-02 +LEU 660 N 719 SER 546 OG 9 0.102E+01 0.170E+00 -0.109E-02 +LEU 660 N 719 SER 546 HG 11 0.955E+00 -0.131E+00 0.000E+00 +LEU 660 N 719 GLY 547 N 12 0.942E+00 0.112E+00 -0.186E-02 +LEU 660 N 719 GLY 547 CA 13 0.920E+00 0.400E-01 -0.197E-02 +LEU 660 N 719 GLY 547 C 14 0.958E+00 -0.169E+00 -0.137E-02 +LEU 660 N 719 GLY 547 O 15 0.103E+01 0.133E+00 -0.929E-03 +LEU 660 N 719 ILE 548 N 17 0.937E+00 0.136E+00 -0.192E-02 +LEU 660 N 719 ILE 548 CA 18 0.100E+01 0.277E-01 -0.117E-02 +LEU 660 N 719 ILE 548 CB 21 0.967E+00 -0.178E-01 -0.146E-02 +LEU 660 N 719 ILE 548 CG1 22 0.822E+00 -0.821E-02 -0.387E-02 +LEU 660 N 719 ILE 548 CD1 24 0.806E+00 0.390E-01 -0.435E-02 +LEU 660 CA 720 SER 546 HG 11 0.103E+01 -0.331E-01 0.000E+00 +LEU 660 CA 720 GLY 547 N 12 0.102E+01 0.282E-01 -0.106E-02 +LEU 660 CA 720 GLY 547 CA 13 0.101E+01 0.991E-02 -0.105E-02 +LEU 660 CA 720 GLY 547 C 14 0.103E+01 -0.431E-01 -0.801E-03 +LEU 660 CA 720 ILE 548 N 17 0.995E+00 0.353E-01 -0.123E-02 +LEU 660 CA 720 ILE 548 CA 18 0.105E+01 0.741E-02 -0.829E-03 +LEU 660 CA 720 ILE 548 CB 21 0.991E+00 -0.488E-02 -0.115E-02 +LEU 660 CA 720 ILE 548 CG1 22 0.841E+00 -0.225E-02 -0.309E-02 +LEU 660 CA 720 ILE 548 CD1 24 0.801E+00 0.112E-01 -0.413E-02 +LEU 660 C 721 ILE 548 CG1 22 0.991E+00 0.982E-02 -0.102E-02 +LEU 660 C 721 ILE 548 CD1 24 0.945E+00 -0.484E-01 -0.136E-02 +LEU 660 O 722 ILE 548 CG1 22 0.104E+01 -0.892E-02 -0.804E-03 +LEU 660 O 722 ILE 548 CD1 24 0.977E+00 0.449E-01 -0.117E-02 +LEU 660 CB 723 GLY 547 N 12 0.103E+01 0.395E-01 -0.984E-03 +LEU 660 CB 723 GLY 547 CA 13 0.101E+01 0.141E-01 -0.105E-02 +LEU 660 CB 723 GLY 547 C 14 0.101E+01 -0.634E-01 -0.913E-03 +LEU 660 CB 723 ILE 548 N 17 0.967E+00 0.525E-01 -0.146E-02 +LEU 660 CB 723 ILE 548 CA 18 0.100E+01 0.113E-01 -0.109E-02 +LEU 660 CB 723 ILE 548 CB 21 0.941E+00 -0.752E-02 -0.158E-02 +LEU 660 CB 723 ILE 548 CG1 22 0.787E+00 -0.359E-02 -0.458E-02 +LEU 660 CB 723 ILE 548 CG2 23 0.101E+01 0.141E-01 -0.100E-02 +LEU 660 CB 723 ILE 548 CD1 24 0.748E+00 0.181E-01 -0.619E-02 +LEU 660 CG 724 SER 546 N 4 0.105E+01 -0.749E-01 -0.916E-03 +LEU 660 CG 724 GLY 547 N 12 0.102E+01 -0.538E-01 -0.107E-02 +LEU 660 CG 724 GLY 547 CA 13 0.100E+01 -0.189E-01 -0.107E-02 +LEU 660 CG 724 GLY 547 C 14 0.993E+00 0.866E-01 -0.101E-02 +LEU 660 CG 724 ILE 548 N 17 0.931E+00 -0.742E-01 -0.183E-02 +LEU 660 CG 724 ILE 548 CA 18 0.948E+00 -0.163E-01 -0.151E-02 +LEU 660 CG 724 ILE 548 CB 21 0.869E+00 0.114E-01 -0.254E-02 +LEU 660 CG 724 ILE 548 CG1 22 0.716E+00 0.571E-02 -0.806E-02 +LEU 660 CG 724 ILE 548 CG2 23 0.929E+00 -0.215E-01 -0.171E-02 +LEU 660 CG 724 ILE 548 CD1 24 0.653E+00 -0.314E-01 -0.138E-01 +LEU 660 CD1 725 SER 546 N 4 0.902E+00 0.599E-01 -0.221E-02 +LEU 660 CD1 725 SER 546 CA 5 0.102E+01 -0.109E-01 -0.990E-03 +LEU 660 CD1 725 SER 546 C 6 0.999E+00 -0.458E-01 -0.979E-03 +LEU 660 CD1 725 SER 546 OG 9 0.101E+01 0.597E-01 -0.106E-02 +LEU 660 CD1 725 SER 546 HG 11 0.943E+00 -0.461E-01 0.000E+00 +LEU 660 CD1 725 GLY 547 N 12 0.898E+00 0.417E-01 -0.227E-02 +LEU 660 CD1 725 GLY 547 CA 13 0.900E+00 0.143E-01 -0.205E-02 +LEU 660 CD1 725 GLY 547 C 14 0.896E+00 -0.650E-01 -0.187E-02 +LEU 660 CD1 725 GLY 547 O 15 0.977E+00 0.498E-01 -0.117E-02 +LEU 660 CD1 725 ILE 548 N 17 0.827E+00 0.577E-01 -0.373E-02 +LEU 660 CD1 725 ILE 548 CA 18 0.851E+00 0.124E-01 -0.288E-02 +LEU 660 CD1 725 ILE 548 C 19 0.997E+00 -0.540E-01 -0.988E-03 +LEU 660 CD1 725 ILE 548 CB 21 0.764E+00 -0.911E-02 -0.546E-02 +LEU 660 CD1 725 ILE 548 CG1 22 0.614E+00 -0.497E-02 -0.198E-01 +LEU 660 CD1 725 ILE 548 CG2 23 0.835E+00 0.164E-01 -0.322E-02 +LEU 660 CD1 725 ILE 548 CD1 24 0.542E+00 0.301E-01 -0.408E-01 +LEU 660 CD1 725 VAL 549 N 26 0.105E+01 0.398E-01 -0.904E-03 +LEU 660 CD2 726 GLY 547 N 12 0.104E+01 0.336E-01 -0.968E-03 +LEU 660 CD2 726 GLY 547 CA 13 0.101E+01 0.121E-01 -0.105E-02 +LEU 660 CD2 726 GLY 547 C 14 0.976E+00 -0.570E-01 -0.112E-02 +LEU 660 CD2 726 GLY 547 O 15 0.103E+01 0.460E-01 -0.840E-03 +LEU 660 CD2 726 ILE 548 N 17 0.912E+00 0.491E-01 -0.208E-02 +LEU 660 CD2 726 ILE 548 CA 18 0.909E+00 0.112E-01 -0.193E-02 +LEU 660 CD2 726 ILE 548 CB 21 0.833E+00 -0.784E-02 -0.328E-02 +LEU 660 CD2 726 ILE 548 CG1 22 0.682E+00 -0.402E-02 -0.108E-01 +LEU 660 CD2 726 ILE 548 CG2 23 0.874E+00 0.152E-01 -0.245E-02 +LEU 660 CD2 726 ILE 548 CD1 24 0.628E+00 0.218E-01 -0.174E-01 +LEU 661 N 728 ILE 548 CD1 24 0.104E+01 0.259E-01 -0.925E-03
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/fineab.pdb Thu May 16 11:27:07 2019 -0400 @@ -0,0 +1,292 @@ +ATOM 372 N TRP C 628 11.939 18.567 24.754 14.007 -0.428 +ATOM 374 C TRP C 628 11.305 16.438 23.468 12.011 0.584 +ATOM 377 CG TRP C 628 14.324 16.987 25.710 12.011 -0.100 +ATOM 378 CD1 TRP C 628 14.560 17.945 26.654 12.011 -0.174 +ATOM 379 CD2 TRP C 628 15.466 16.576 25.059 12.011 0.090 +ATOM 380 NE1 TRP C 628 15.852 18.149 26.605 14.007 -0.298 +ATOM 381 CE2 TRP C 628 16.442 17.360 25.680 12.011 0.142 +ATOM 382 CE3 TRP C 628 15.833 15.676 24.060 12.011 -0.154 +ATOM 383 CZ2 TRP C 628 17.793 17.256 25.297 12.011 -0.211 +ATOM 384 CZ3 TRP C 628 17.180 15.570 23.699 12.011 -0.164 +ATOM 385 CH2 TRP C 628 18.158 16.350 24.304 12.011 -0.133 +ATOM 387 HE1 TRP C 628 16.338 18.759 27.208 1.008 0.322 +ATOM 409 C TRP C 631 12.541 15.931 18.819 12.011 0.584 +ATOM 410 O TRP C 631 12.869 15.598 17.708 15.999 -0.495 +ATOM 411 CB TRP C 631 13.836 17.478 20.395 12.011 -0.098 +ATOM 412 CG TRP C 631 15.206 16.925 19.960 12.011 -0.100 +ATOM 413 CD1 TRP C 631 16.103 17.708 19.291 12.011 -0.174 +ATOM 415 NE1 TRP C 631 17.137 16.928 19.120 14.007 -0.298 +ATOM 416 CE2 TRP C 631 16.924 15.687 19.621 12.011 0.142 +ATOM 418 CZ2 TRP C 631 17.755 14.558 19.662 12.011 -0.211 +ATOM 422 HE1 TRP C 631 17.965 17.239 18.688 1.008 0.322 +ATOM 423 N ASP C 632 11.873 15.089 19.562 14.007 -0.558 +ATOM 450 CA GLU C 634 11.159 16.676 14.569 12.011 0.032 +ATOM 451 C GLU C 634 12.229 15.727 14.081 12.011 0.470 +ATOM 452 O GLU C 634 12.486 15.655 12.877 15.999 -0.593 +ATOM 453 CB GLU C 634 11.823 17.935 14.998 12.011 0.075 +ATOM 455 CD GLU C 634 11.401 20.433 14.751 12.011 0.765 +ATOM 456 OE1 GLU C 634 12.353 20.598 13.977 15.999 -0.824 +ATOM 457 OE2 GLU C 634 10.902 21.363 15.384 15.999 -0.824 +ATOM 459 N ILE C 635 12.783 14.913 14.993 14.007 -0.451 +ATOM 460 CA ILE C 635 13.782 13.906 14.663 12.011 -0.102 +ATOM 461 C ILE C 635 13.110 12.816 13.854 12.011 0.569 +ATOM 462 O ILE C 635 13.714 12.292 12.927 15.999 -0.620 +ATOM 464 CG1 ILE C 635 15.236 14.321 16.698 12.011 0.022 +ATOM 465 CG2 ILE C 635 15.388 12.182 15.569 12.011 -0.130 +ATOM 466 CD1 ILE C 635 16.358 14.961 15.927 12.011 -0.101 +ATOM 481 C ASN C 637 10.834 13.839 9.723 12.011 0.617 +ATOM 482 O ASN C 637 10.585 13.594 8.538 15.999 -0.524 +ATOM 486 ND2 ASN C 637 7.948 16.748 12.355 14.007 -0.782 +ATOM 490 N TYR C 638 12.033 14.300 10.102 14.007 -0.488 +ATOM 492 C TYR C 638 13.679 13.029 8.854 12.011 0.622 +ATOM 493 O TYR C 638 14.008 12.788 7.698 15.999 -0.527 +ATOM 494 CB TYR C 638 14.165 15.327 9.774 12.011 -0.052 +ATOM 495 CG TYR C 638 13.667 16.749 9.673 12.011 0.113 +ATOM 496 CD1 TYR C 638 13.303 17.225 8.418 12.011 -0.183 +ATOM 497 CD2 TYR C 638 13.521 17.567 10.800 12.011 -0.183 +ATOM 498 CE1 TYR C 638 12.850 18.517 8.256 12.011 -0.182 +ATOM 499 CE2 TYR C 638 13.091 18.900 10.637 12.011 -0.182 +ATOM 500 CZ TYR C 638 12.738 19.343 9.354 12.011 0.206 +ATOM 501 OH TYR C 638 12.451 20.666 9.088 15.999 -0.421 +ATOM 503 HH TYR C 638 12.351 20.876 8.165 1.008 0.330 +ATOM 504 N THR C 639 13.706 12.108 9.796 14.007 -0.245 +ATOM 506 C THR C 639 13.232 10.085 8.424 12.011 0.560 +ATOM 507 O THR C 639 13.725 9.331 7.554 15.999 -0.552 +ATOM 509 OG1 THR C 639 15.110 10.474 11.544 15.999 -0.602 +ATOM 512 HG1 THR C 639 14.818 11.323 11.889 1.008 0.405 +ATOM 516 O SER C 640 11.169 9.642 5.177 15.999 -0.581 +ATOM 523 C LEU C 641 12.948 11.832 4.190 12.011 0.573 +ATOM 524 O LEU C 641 13.039 11.552 2.988 15.999 -0.558 +ATOM 528 CD2 LEU C 641 12.047 16.198 4.163 12.011 -0.123 +ATOM 530 N ILE C 642 13.988 11.612 5.019 14.007 -0.451 +ATOM 532 C ILE C 642 15.163 9.729 4.112 12.011 0.569 +ATOM 533 O ILE C 642 15.740 9.343 3.115 15.999 -0.620 +ATOM 534 CB ILE C 642 16.384 11.240 5.647 12.011 0.062 +ATOM 535 CG1 ILE C 642 16.630 12.661 6.041 12.011 0.022 +ATOM 536 CG2 ILE C 642 17.722 10.778 5.097 12.011 -0.130 +ATOM 537 CD1 ILE C 642 17.480 12.825 7.287 12.011 -0.101 +ATOM 539 N HIS C 643 14.415 8.904 4.785 14.007 -0.528 +ATOM 541 C HIS C 643 13.527 7.512 2.940 12.011 0.662 +ATOM 552 N SER C 644 12.502 8.344 2.761 14.007 -0.541 +ATOM 554 C SER C 644 12.782 8.888 0.398 12.011 0.483 +ATOM 555 O SER C 644 12.797 8.293 -0.691 15.999 -0.581 +ATOM 557 OG SER C 644 9.823 9.759 2.572 15.999 -0.640 +ATOM 560 N LEU C 645 13.612 9.918 0.673 14.007 -0.355 +ATOM 562 C LEU C 645 15.593 9.476 -0.651 12.011 0.573 +ATOM 563 O LEU C 645 15.914 9.316 -1.820 15.999 -0.558 +ATOM 564 CB LEU C 645 15.027 11.807 0.080 12.011 -0.144 +ATOM 565 CG LEU C 645 13.979 12.903 0.305 12.011 0.192 +ATOM 566 CD1 LEU C 645 14.665 14.149 0.710 12.011 -0.123 +ATOM 567 CD2 LEU C 645 13.200 13.183 -0.954 12.011 -0.123 +ATOM 569 N ILE C 646 16.114 8.734 0.334 14.007 -0.451 +ATOM 571 C ILE C 646 16.595 6.620 -0.736 12.011 0.569 +ATOM 572 O ILE C 646 17.236 6.140 -1.676 15.999 -0.620 +ATOM 580 C GLU C 647 14.377 5.647 -2.682 12.011 0.470 +ATOM 581 O GLU C 647 14.604 4.923 -3.662 15.999 -0.593 +ATOM 588 N GLU C 648 13.876 6.871 -2.874 14.007 -0.423 +ATOM 590 C GLU C 648 14.863 7.517 -4.984 12.011 0.470 +ATOM 591 O GLU C 648 14.864 7.188 -6.175 15.999 -0.593 +ATOM 593 CG GLU C 648 12.503 9.437 -5.318 12.011 -0.034 +ATOM 594 CD GLU C 648 11.969 10.872 -5.126 12.011 0.765 +ATOM 595 OE1 GLU C 648 11.991 11.409 -4.008 15.999 -0.824 +ATOM 596 OE2 GLU C 648 11.521 11.471 -6.110 15.999 -0.824 +ATOM 598 N SER C 649 15.950 7.961 -4.364 14.007 -0.541 +ATOM 599 CA SER C 649 17.251 8.032 -4.994 12.011 0.118 +ATOM 600 C SER C 649 17.811 6.694 -5.403 12.011 0.483 +ATOM 601 O SER C 649 18.368 6.564 -6.482 15.999 -0.581 +ATOM 602 CB SER C 649 18.191 8.704 -4.055 12.011 0.147 +ATOM 603 OG SER C 649 17.841 10.043 -3.742 15.999 -0.640 +ATOM 605 HG SER C 649 17.888 10.547 -4.561 1.008 0.446 +ATOM 606 N GLN C 650 17.622 5.684 -4.563 14.007 -0.387 +ATOM 608 C GLN C 650 17.303 3.776 -6.071 12.011 0.419 +ATOM 609 O GLN C 650 17.951 3.085 -6.882 15.999 -0.565 +ATOM 612 CD GLN C 650 17.982 2.264 -1.334 12.011 0.668 +ATOM 614 NE2 GLN C 650 18.538 2.637 -0.192 14.007 -0.883 +ATOM 618 N ASN C 651 16.035 4.183 -6.268 14.007 -0.430 +ATOM 620 C ASN C 651 15.708 4.500 -8.681 12.011 0.617 +ATOM 621 O ASN C 651 15.988 3.912 -9.726 15.999 -0.524 +ATOM 623 CG ASN C 651 13.276 3.154 -6.125 12.011 0.584 +ATOM 625 ND2 ASN C 651 12.418 3.728 -5.276 14.007 -0.782 +ATOM 629 N GLN C 652 15.864 5.821 -8.587 14.007 -0.387 +ATOM 631 C GLN C 652 17.758 6.187 -10.002 12.011 0.419 +ATOM 632 O GLN C 652 18.093 6.195 -11.164 15.999 -0.565 +ATOM 633 CB GLN C 652 16.307 8.040 -9.279 12.011 -0.032 +ATOM 634 CG GLN C 652 16.453 9.174 -10.302 12.011 -0.020 +ATOM 635 CD GLN C 652 15.382 9.271 -11.366 12.011 0.668 +ATOM 636 OE1 GLN C 652 14.275 9.750 -11.134 15.999 -0.628 +ATOM 637 NE2 GLN C 652 15.688 8.915 -12.603 14.007 -0.883 +ATOM 641 N GLN C 653 18.596 5.741 -9.080 14.007 -0.387 +ATOM 642 CA GLN C 653 19.926 5.262 -9.403 12.011 0.037 +ATOM 643 C GLN C 653 19.851 4.058 -10.322 12.011 0.419 +ATOM 644 O GLN C 653 20.554 4.029 -11.335 15.999 -0.565 +ATOM 645 CB GLN C 653 20.669 4.856 -8.157 12.011 -0.032 +ATOM 646 CG GLN C 653 22.164 4.660 -8.449 12.011 -0.020 +ATOM 647 CD GLN C 653 22.929 5.903 -8.922 12.011 0.668 +ATOM 648 OE1 GLN C 653 22.474 7.036 -8.956 15.999 -0.628 +ATOM 649 NE2 GLN C 653 24.191 5.913 -9.220 14.007 -0.883 +ATOM 653 N GLU C 654 18.952 3.102 -10.025 14.007 -0.423 +ATOM 655 C GLU C 654 18.222 2.339 -12.253 12.011 0.470 +ATOM 656 O GLU C 654 18.762 1.916 -13.285 15.999 -0.593 +ATOM 659 CD GLU C 654 17.642 -0.522 -8.002 12.011 0.765 +ATOM 660 OE1 GLU C 654 17.220 0.245 -7.134 15.999 -0.824 +ATOM 665 C LYS C 655 17.643 4.441 -14.445 12.011 0.725 +ATOM 666 O LYS C 655 17.713 4.286 -15.665 15.999 -0.563 +ATOM 673 HZ1 LYS C 655 11.029 6.298 -12.366 1.008 0.295 +ATOM 676 N ASN C 656 18.474 5.275 -13.838 14.007 -0.430 +ATOM 678 C ASN C 656 20.510 5.128 -15.026 12.011 0.617 +ATOM 679 O ASN C 656 20.860 5.283 -16.194 15.999 -0.524 +ATOM 681 CG ASN C 656 19.142 8.214 -13.246 12.011 0.584 +ATOM 682 OD1 ASN C 656 18.270 8.618 -14.035 15.999 -0.527 +ATOM 683 ND2 ASN C 656 19.141 8.698 -12.009 14.007 -0.782 +ATOM 689 C GLU C 657 21.326 2.381 -15.914 12.011 0.470 +ATOM 693 CD GLU C 657 23.410 1.852 -11.389 12.011 0.765 +ATOM 694 OE1 GLU C 657 23.152 0.650 -11.481 15.999 -0.824 +ATOM 695 OE2 GLU C 657 23.970 2.322 -10.407 15.999 -0.824 +ATOM 715 CD GLU C 659 17.379 7.956 -19.530 12.011 0.765 +ATOM 716 OE1 GLU C 659 17.214 8.159 -18.321 15.999 -0.824 +ATOM 717 OE2 GLU C 659 17.049 8.781 -20.388 15.999 -0.824 +ATOM 264 CH2 TRP N 571 15.524 20.395 23.451 12.011 -0.133 +ATOM 300 CD GLN N 575 18.143 22.472 25.591 12.011 0.668 +ATOM 301 OE1 GLN N 575 17.537 22.387 26.656 15.999 -0.628 +ATOM 302 NE2 GLN N 575 18.305 23.636 25.024 14.007 -0.883 +ATOM 342 NH1 ARG N 579 17.230 19.303 30.253 14.007 -0.686 +ATOM 343 NH2 ARG N 579 16.430 21.352 29.931 14.007 -0.686 +ATOM 263 CZ3 TRP N 571 16.181 19.419 22.697 12.011 -0.164 +ATOM 298 CB GLN N 575 19.690 20.480 25.617 12.011 -0.032 +ATOM 299 CG GLN N 575 18.703 21.312 24.814 12.011 -0.020 +ATOM 341 CZ ARG N 579 17.385 20.587 30.457 12.011 0.566 +ATOM 268 CA GLY N 572 20.270 18.034 21.892 12.011 -0.129 +ATOM 269 C GLY N 572 21.532 18.044 22.719 12.011 0.581 +ATOM 270 O GLY N 572 21.491 18.102 23.948 15.999 -0.509 +ATOM 311 CG LEU N 576 21.688 16.085 26.553 12.011 0.192 +ATOM 313 CD2 LEU N 576 20.643 15.931 27.638 12.011 -0.123 +ATOM 297 O GLN N 575 21.530 20.599 28.288 15.999 -0.565 +ATOM 228 O LEU N 568 19.319 18.457 18.167 15.999 -0.558 +ATOM 227 C LEU N 568 19.410 18.201 16.958 12.011 0.573 +ATOM 261 CE3 TRP N 571 17.056 19.805 21.674 12.011 -0.154 +ATOM 226 CA LEU N 568 18.513 18.907 15.980 12.011 -0.101 +ATOM 229 CB LEU N 568 17.399 18.019 15.472 12.011 -0.144 +ATOM 258 CD2 TRP N 571 17.291 21.171 21.401 12.011 0.090 +ATOM 234 N THR N 569 20.343 17.385 16.474 14.007 -0.245 +ATOM 235 CA THR N 569 21.300 16.706 17.345 12.011 -0.271 +ATOM 236 C THR N 569 22.179 17.733 18.051 12.011 0.560 +ATOM 253 C TRP N 571 20.408 20.357 21.079 12.011 0.584 +ATOM 267 N GLY N 572 20.356 19.036 20.842 14.007 -0.374 +ATOM 198 O LEU N 565 20.106 16.694 13.603 15.999 -0.558 +ATOM 216 O GLN N 567 20.379 20.878 16.165 15.999 -0.565 +ATOM 225 N LEU N 568 19.313 19.365 14.871 14.007 -0.355 +ATOM 237 O THR N 569 22.428 17.562 19.238 15.999 -0.552 +ATOM 239 OG1 THR N 569 22.896 16.453 15.512 15.999 -0.602 +ATOM 243 N VAL N 570 22.568 18.851 17.411 14.007 -0.450 +ATOM 251 N TRP N 571 21.311 20.824 18.901 14.007 -0.428 +ATOM 254 O TRP N 571 20.466 20.796 22.237 15.999 -0.495 +ATOM 231 CD1 LEU N 568 15.376 17.669 14.033 12.011 -0.123 +ATOM 185 O HIS N 564 18.167 19.105 12.118 15.999 -0.529 +ATOM 154 C ALA N 561 17.880 16.505 6.441 12.011 0.570 +ATOM 184 C HIS N 564 18.133 18.647 10.985 12.011 0.662 +ATOM 197 C LEU N 565 20.023 16.771 12.360 12.011 0.573 +ATOM 230 CG LEU N 568 16.441 18.651 14.453 12.011 0.192 +ATOM 232 CD2 LEU N 568 15.844 19.917 15.044 12.011 -0.123 +ATOM 155 O ALA N 561 17.661 16.726 7.641 15.999 -0.555 +ATOM 173 O GLN N 563 20.607 19.846 9.965 15.999 -0.565 +ATOM 182 N HIS N 564 18.842 19.364 8.714 14.007 -0.528 +ATOM 188 ND1 HIS N 564 15.024 20.554 7.683 14.007 -0.423 +ATOM 187 CG HIS N 564 16.122 20.497 8.389 12.011 0.278 +ATOM 206 C LEU N 566 22.041 18.835 13.232 12.011 0.573 +ATOM 215 C GLN N 567 20.124 20.425 15.041 12.011 0.419 +ATOM 219 CD GLN N 567 21.964 23.290 12.278 12.011 0.668 +ATOM 202 CD2 LEU N 565 16.843 13.988 11.920 12.011 -0.123 +ATOM 200 CG LEU N 565 17.893 13.938 10.810 12.011 0.192 +ATOM 113 O ARG N 557 17.012 16.740 1.622 15.999 -0.578 +ATOM 130 O ALA N 558 19.295 14.930 3.360 15.999 -0.555 +ATOM 136 O ILE N 559 20.961 17.946 4.334 15.999 -0.620 +ATOM 145 O GLU N 560 18.199 19.290 5.659 15.999 -0.593 +ATOM 152 N ALA N 561 17.605 17.606 4.311 14.007 -0.405 +ATOM 156 CB ALA N 561 16.221 15.671 4.797 12.011 -0.230 +ATOM 158 N GLN N 562 19.053 16.076 6.014 14.007 -0.387 +ATOM 161 O GLN N 562 20.989 16.658 8.934 15.999 -0.565 +ATOM 165 OE1 GLN N 562 22.693 13.426 4.578 15.999 -0.628 +ATOM 166 NE2 GLN N 562 21.828 11.590 5.556 14.007 -0.883 +ATOM 195 N LEU N 565 18.352 17.382 10.651 14.007 -0.355 +ATOM 112 C ARG N 557 17.200 16.394 0.467 12.011 0.730 +ATOM 129 C ALA N 558 19.392 15.061 2.144 12.011 0.570 +ATOM 164 CD GLN N 562 21.844 12.875 5.276 12.011 0.668 +ATOM 186 CB HIS N 564 16.508 19.405 9.372 12.011 -0.152 +ATOM 193 HD1 HIS N 564 14.318 19.929 7.750 1.008 0.160 +ATOM 190 CE1 HIS N 564 15.029 21.609 6.945 12.011 0.026 +ATOM 191 NE2 HIS N 564 16.140 22.240 7.177 14.007 -0.098 +ATOM 189 CD2 HIS N 564 16.858 21.617 8.051 12.011 -0.298 +ATOM 201 CD1 LEU N 565 18.612 12.580 10.876 12.011 -0.123 +ATOM 84 O ASN N 554 17.628 13.893 -2.508 15.999 -0.524 +ATOM 119 NH1 ARG N 557 11.397 15.396 -3.011 14.007 -0.686 +ATOM 120 NH2 ARG N 557 12.335 14.867 -5.036 14.007 -0.686 +ATOM 127 N ALA N 558 17.915 15.313 0.192 14.007 -0.405 +ATOM 83 C ASN N 554 17.876 13.908 -3.715 12.011 0.617 +ATOM 118 CZ ARG N 557 12.355 15.631 -3.918 12.011 0.566 +ATOM 94 C LEU N 555 20.274 15.341 -2.498 12.011 0.573 +ATOM 153 CA ALA N 561 16.886 16.905 5.362 12.011 -0.028 +ATOM 163 CG GLN N 562 20.703 13.620 5.857 12.011 -0.020 +ATOM 159 CA GLN N 562 20.042 15.666 6.986 12.011 0.037 +ATOM 162 CB GLN N 562 21.194 14.960 6.319 12.011 -0.032 +ATOM 199 CB LEU N 565 18.955 15.028 10.980 12.011 -0.144 +ATOM 88 ND2 ASN N 554 15.485 12.022 -7.460 14.007 -0.782 +ATOM 86 CG ASN N 554 15.340 12.520 -6.239 12.011 0.584 +ATOM 42 NE2 GLN N 550 13.111 12.750 -9.753 14.007 -0.883 +ATOM 49 O GLN N 551 19.330 13.334 -6.868 15.999 -0.565 +ATOM 53 OE1 GLN N 551 18.955 9.872 -7.134 15.999 -0.628 +ATOM 54 NE2 GLN N 551 20.573 8.430 -7.469 14.007 -0.883 +ATOM 73 O ASN N 553 16.914 16.649 -4.433 15.999 -0.524 +ATOM 87 OD1 ASN N 554 14.277 13.033 -5.925 15.999 -0.527 +ATOM 92 N LEU N 555 19.125 14.034 -4.177 14.007 -0.355 +ATOM 95 O LEU N 555 20.383 15.280 -1.272 15.999 -0.558 +ATOM 131 CB ALA N 558 19.030 13.199 0.587 12.011 -0.230 +ATOM 52 CD GLN N 551 19.994 9.589 -7.719 12.011 0.668 +ATOM 72 C ASN N 553 17.047 16.173 -5.554 12.011 0.617 +ATOM 128 CA ALA N 558 18.387 14.409 1.226 12.011 -0.028 +ATOM 114 CB ARG N 557 15.457 16.809 -1.356 12.011 -0.037 +ATOM 111 CA ARG N 557 16.776 17.288 -0.685 12.011 -0.131 +ATOM 117 NE ARG N 557 13.280 16.625 -3.751 14.007 0.465 +ATOM 37 O GLN N 550 16.520 14.236 -8.736 15.999 -0.565 +ATOM 40 CD GLN N 550 13.343 13.742 -10.585 12.011 0.668 +ATOM 15 O GLY N 547 18.147 11.667 -12.391 15.999 -0.509 +ATOM 41 OE1 GLN N 550 13.048 14.884 -10.294 15.999 -0.628 +ATOM 46 N GLN N 551 17.847 13.009 -10.014 14.007 -0.387 +ATOM 61 O GLN N 552 19.987 16.732 -6.006 15.999 -0.565 +ATOM 70 N ASN N 553 18.383 16.452 -7.534 14.007 -0.430 +ATOM 76 OD1 ASN N 553 15.256 18.608 -5.669 15.999 -0.527 +ATOM 77 ND2 ASN N 553 14.006 18.540 -7.412 14.007 -0.782 +ATOM 81 N ASN N 554 17.005 14.883 -5.807 14.007 -0.430 +ATOM 36 C GLN N 550 16.843 13.895 -9.861 12.011 0.419 +ATOM 48 C GLN N 551 19.320 13.416 -8.092 12.011 0.419 +ATOM 75 CG ASN N 553 15.095 18.168 -6.802 12.011 0.584 +ATOM 103 C LEU N 556 18.997 17.825 -1.428 12.011 0.573 +ATOM 14 C GLY N 547 18.299 11.783 -13.596 12.011 0.581 +ATOM 85 CB ASN N 554 16.534 12.538 -5.331 12.011 -0.094 +ATOM 99 CD2 LEU N 555 21.643 11.526 -4.019 12.011 -0.123 +ATOM 60 C GLN N 552 19.620 16.316 -7.096 12.011 0.419 +ATOM 82 CA ASN N 554 16.731 13.930 -4.736 12.011 0.045 +ATOM 97 CG LEU N 555 21.762 12.724 -4.945 12.011 0.192 +ATOM 58 N GLN N 552 19.874 14.445 -8.725 14.007 -0.387 +ATOM 19 C ILE N 548 20.218 14.116 -12.696 12.011 0.569 +ATOM 47 CA GLN N 551 18.607 12.368 -8.940 12.011 0.037 +ATOM 50 CB GLN N 551 19.605 11.378 -9.582 12.011 -0.032 +ATOM 4 N SER N 546 17.955 14.014 -17.827 14.007 -0.541 +ATOM 7 O SER N 546 16.736 14.255 -14.615 15.999 -0.581 +ATOM 9 OG SER N 546 15.498 12.815 -17.842 15.999 -0.640 +ATOM 12 N GLY N 547 17.181 12.316 -15.724 14.007 -0.374 +ATOM 13 CA GLY N 547 17.202 11.414 -14.570 12.011 -0.129 +ATOM 17 N ILE N 548 19.399 12.280 -14.145 14.007 -0.451 +ATOM 20 O ILE N 548 20.543 14.273 -11.519 15.999 -0.620 +ATOM 26 N VAL N 549 19.590 15.054 -13.393 14.007 -0.450 +ATOM 29 O VAL N 549 17.992 16.598 -10.674 15.999 -0.405 +ATOM 34 N GLN N 550 17.187 15.030 -12.001 14.007 -0.387 +ATOM 38 CB GLN N 550 15.452 13.398 -11.814 12.011 -0.032 +ATOM 6 C SER N 546 16.909 13.631 -15.655 12.011 0.483 +ATOM 11 HG SER N 546 15.988 12.455 -18.582 1.008 0.446 +ATOM 28 C VAL N 549 18.036 15.977 -11.726 12.011 0.447 +ATOM 39 CG GLN N 550 13.929 13.475 -11.925 12.011 -0.020 +ATOM 30 CB VAL N 549 18.451 17.196 -13.841 12.011 0.395 +ATOM 51 CG GLN N 551 20.600 10.535 -8.719 12.011 -0.020 +ATOM 64 CD GLN N 552 23.257 16.787 -10.486 12.011 0.668 +ATOM 66 NE2 GLN N 552 24.575 16.670 -10.575 14.007 -0.883 +ATOM 18 CA ILE N 548 20.551 12.815 -13.425 12.011 -0.102
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/finedata.txt Thu May 16 11:27:07 2019 -0400 @@ -0,0 +1,727 @@ +TRP 628 N 372 TRP 571 CH2 264 0.423E+00 0.250E+00 -0.142E+00 +TRP 628 N 372 GLN 575 CD 300 0.738E+00 -0.365E+00 -0.652E-02 +TRP 628 C 374 GLN 575 OE1 301 0.919E+00 -0.321E+00 -0.150E-02 +TRP 628 C 374 GLN 575 NE2 302 0.102E+01 -0.387E+00 -0.963E-03 +TRP 628 C 374 ARG 579 NH1 342 0.945E+00 -0.335E+00 -0.148E-02 +TRP 628 C 374 ARG 579 NH2 343 0.960E+00 -0.327E+00 -0.135E-02 +TRP 628 CG 377 TRP 571 CZ3 263 0.429E+00 0.694E-01 -0.104E+00 +TRP 628 CG 377 TRP 571 CH2 264 0.426E+00 0.574E-01 -0.107E+00 +TRP 628 CD1 378 TRP 571 CH2 264 0.415E+00 0.107E+00 -0.118E+00 +TRP 628 CD2 379 TRP 571 CZ3 263 0.376E+00 -0.880E-01 -0.139E+00 +TRP 628 CD2 379 TRP 571 CH2 264 0.414E+00 -0.555E-01 -0.118E+00 +TRP 628 NE1 380 TRP 571 CZ3 263 0.412E+00 0.230E+00 -0.157E+00 +TRP 628 NE1 380 TRP 571 CH2 264 0.389E+00 0.217E+00 -0.187E+00 +TRP 628 NE1 380 GLN 575 CB 298 0.460E+00 0.340E-01 -0.109E+00 +TRP 628 NE1 380 GLN 575 CG 299 0.462E+00 0.210E-01 -0.106E+00 +TRP 628 NE1 380 GLN 575 CD 300 0.500E+00 -0.581E+00 -0.623E-01 +TRP 628 NE1 380 GLN 575 OE1 301 0.456E+00 0.681E+00 -0.110E+00 +TRP 628 NE1 380 ARG 579 CZ 341 0.481E+00 -0.539E+00 -0.764E-01 +TRP 628 NE1 380 ARG 579 NH1 342 0.407E+00 0.995E+00 -0.213E+00 +TRP 628 NE1 380 ARG 579 NH2 343 0.465E+00 0.708E+00 -0.113E+00 +TRP 628 CE2 381 TRP 571 CZ3 263 0.363E+00 -0.153E+00 -0.123E+00 +TRP 628 CE2 381 TRP 571 CH2 264 0.388E+00 -0.104E+00 -0.138E+00 +TRP 628 CE3 382 TRP 571 CZ3 263 0.400E+00 0.128E+00 -0.131E+00 +TRP 628 CZ2 383 TRP 571 CZ3 263 0.375E+00 0.209E+00 -0.138E+00 +TRP 628 CZ2 383 TRP 571 CH2 264 0.429E+00 0.119E+00 -0.104E+00 +TRP 628 CZ2 383 GLY 572 CA 268 0.428E+00 0.116E+00 -0.118E+00 +TRP 628 CZ2 383 GLY 572 C 269 0.461E+00 -0.435E+00 -0.754E-01 +TRP 628 CZ2 383 GLY 572 O 270 0.403E+00 0.536E+00 -0.160E+00 +TRP 628 CZ2 383 GLN 575 CB 298 0.375E+00 0.406E-01 -0.156E+00 +TRP 628 CZ2 383 GLN 575 CG 299 0.418E+00 0.191E-01 -0.129E+00 +TRP 628 CZ2 383 GLN 575 CD 300 0.524E+00 -0.369E+00 -0.387E-01 +TRP 628 CZ2 383 LEU 576 CG 311 0.426E+00 -0.175E+00 -0.121E+00 +TRP 628 CZ2 383 LEU 576 CD2 313 0.392E+00 0.139E+00 -0.154E+00 +TRP 628 CZ3 384 TRP 571 CZ3 263 0.410E+00 0.128E+00 -0.122E+00 +TRP 628 CZ3 384 GLY 572 CA 268 0.435E+00 0.869E-01 -0.111E+00 +TRP 628 CH2 385 TRP 571 CZ3 263 0.399E+00 0.112E+00 -0.132E+00 +TRP 628 CH2 385 GLY 572 CA 268 0.362E+00 0.114E+00 -0.136E+00 +TRP 628 CH2 385 GLY 572 C 269 0.409E+00 -0.369E+00 -0.123E+00 +TRP 628 CH2 385 GLY 572 O 270 0.378E+00 0.399E+00 -0.199E+00 +TRP 628 CH2 385 LEU 576 CG 311 0.419E+00 -0.115E+00 -0.128E+00 +TRP 628 CH2 385 LEU 576 CD2 313 0.418E+00 0.742E-01 -0.130E+00 +TRP 628 HE1 387 GLY 572 O 270 0.613E+00 -0.302E+00 -0.468E-03 +TRP 628 HE1 387 GLN 575 O 297 0.561E+00 -0.406E+00 -0.795E-03 +TRP 628 HE1 387 GLN 575 OE1 301 0.386E+00 -0.113E+01 -0.737E-02 +TRP 628 HE1 387 GLN 575 NE2 302 0.569E+00 -0.615E+00 -0.995E-03 +TRP 628 HE1 387 ARG 579 NH1 342 0.322E+00 -0.202E+01 -0.278E-01 +TRP 628 HE1 387 ARG 579 NH2 343 0.376E+00 -0.132E+01 -0.116E-01 +TRP 631 C 409 LEU 568 O 228 0.726E+00 -0.428E+00 -0.610E-02 +TRP 631 O 410 LEU 568 C 227 0.708E+00 -0.391E+00 -0.711E-02 +TRP 631 CB 411 TRP 571 CE3 261 0.417E+00 0.687E-01 -0.130E+00 +TRP 631 CB 411 TRP 571 CZ3 263 0.382E+00 0.924E-01 -0.157E+00 +TRP 631 CG 412 TRP 571 CE3 261 0.383E+00 0.878E-01 -0.140E+00 +TRP 631 CG 412 TRP 571 CZ3 263 0.383E+00 0.935E-01 -0.140E+00 +TRP 631 CD1 413 LEU 568 CA 226 0.427E+00 0.756E-01 -0.120E+00 +TRP 631 CD1 413 LEU 568 C 227 0.408E+00 -0.482E+00 -0.125E+00 +TRP 631 CD1 413 LEU 568 O 228 0.349E+00 0.711E+00 -0.213E+00 +TRP 631 CD1 413 LEU 568 CB 229 0.404E+00 0.124E+00 -0.144E+00 +TRP 631 CD1 413 TRP 571 CD2 258 0.423E+00 -0.690E-01 -0.110E+00 +TRP 631 CD1 413 TRP 571 CZ3 263 0.381E+00 0.165E+00 -0.140E+00 +TRP 631 NE1 415 LEU 568 CA 226 0.396E+00 0.157E+00 -0.202E+00 +TRP 631 NE1 415 LEU 568 C 227 0.339E+00 -0.136E+01 -0.722E-01 +TRP 631 NE1 415 LEU 568 CB 229 0.382E+00 0.247E+00 -0.218E+00 +TRP 631 NE1 415 THR 569 N 234 0.418E+00 0.331E+00 -0.190E+00 +TRP 631 NE1 415 THR 569 CA 235 0.453E+00 0.299E+00 -0.117E+00 +TRP 631 NE1 415 THR 569 C 236 0.522E+00 -0.440E+00 -0.491E-01 +TRP 631 NE1 415 TRP 571 C 253 0.513E+00 -0.478E+00 -0.540E-01 +TRP 631 NE1 415 TRP 571 CE3 261 0.385E+00 0.258E+00 -0.191E+00 +TRP 631 NE1 415 TRP 571 CZ3 263 0.446E+00 0.188E+00 -0.111E+00 +TRP 631 NE1 415 GLY 572 N 267 0.422E+00 0.494E+00 -0.183E+00 +TRP 631 NE1 415 GLY 572 CA 268 0.433E+00 0.160E+00 -0.145E+00 +TRP 631 NE1 415 GLY 572 C 269 0.579E+00 -0.361E+00 -0.272E-01 +TRP 631 CE2 416 LEU 568 O 228 0.394E+00 -0.419E+00 -0.175E+00 +TRP 631 CZ2 418 LEU 568 C 227 0.483E+00 -0.383E+00 -0.597E-01 +TRP 631 HE1 422 LEU 565 O 198 0.554E+00 -0.412E+00 -0.856E-03 +TRP 631 HE1 422 GLN 567 O 216 0.504E+00 -0.519E+00 -0.151E-02 +TRP 631 HE1 422 LEU 568 N 225 0.457E+00 -0.413E+00 -0.368E-02 +TRP 631 HE1 422 LEU 568 O 228 0.189E+00 -0.776E+01 0.241E+00 +TRP 631 HE1 422 LEU 568 CB 229 0.336E+00 -0.377E+00 -0.214E-01 +TRP 631 HE1 422 THR 569 N 234 0.325E+00 -0.701E+00 -0.263E-01 +TRP 631 HE1 422 THR 569 CA 235 0.363E+00 -0.572E+00 -0.137E-01 +TRP 631 HE1 422 THR 569 O 237 0.451E+00 -0.666E+00 -0.294E-02 +TRP 631 HE1 422 THR 569 OG1 239 0.592E+00 -0.385E+00 -0.677E-03 +TRP 631 HE1 422 VAL 570 N 243 0.504E+00 -0.414E+00 -0.206E-02 +TRP 631 HE1 422 TRP 571 N 251 0.491E+00 -0.419E+00 -0.242E-02 +TRP 631 HE1 422 TRP 571 O 254 0.561E+00 -0.356E+00 -0.795E-03 +TRP 631 HE1 422 GLY 572 N 267 0.369E+00 -0.760E+00 -0.130E-01 +ASP 632 N 423 LEU 568 C 227 0.856E+00 -0.314E+00 -0.269E-02 +GLU 634 CA 450 LEU 568 CD1 231 0.437E+00 -0.160E-01 -0.123E+00 +GLU 634 C 451 HIS 564 O 185 0.711E+00 -0.340E+00 -0.694E-02 +GLU 634 C 451 LEU 568 CD1 231 0.370E+00 -0.361E+00 -0.151E+00 +GLU 634 O 452 ALA 561 C 154 0.844E+00 -0.340E+00 -0.249E-02 +GLU 634 O 452 HIS 564 C 184 0.666E+00 -0.610E+00 -0.102E-01 +GLU 634 O 452 LEU 565 C 197 0.764E+00 -0.407E+00 -0.453E-02 +GLU 634 O 452 LEU 568 C 227 0.843E+00 -0.342E+00 -0.251E-02 +GLU 634 O 452 LEU 568 CG 230 0.521E+00 -0.302E+00 -0.485E-01 +GLU 634 O 452 LEU 568 CD1 231 0.371E+00 0.453E+00 -0.236E+00 +GLU 634 CB 453 LEU 568 CD1 231 0.369E+00 -0.580E-01 -0.169E+00 +GLU 634 CB 453 LEU 568 CD2 232 0.448E+00 -0.350E-01 -0.109E+00 +GLU 634 CD 455 ALA 561 O 155 0.102E+01 -0.318E+00 -0.813E-03 +GLU 634 CD 455 GLN 563 O 173 0.104E+01 -0.314E+00 -0.716E-03 +GLU 634 CD 455 HIS 564 N 182 0.964E+00 -0.328E+00 -0.132E-02 +GLU 634 CD 455 HIS 564 O 185 0.738E+00 -0.516E+00 -0.555E-02 +GLU 634 CD 455 HIS 564 ND1 188 0.794E+00 -0.361E+00 -0.420E-02 +GLU 634 CD 455 LEU 565 O 198 0.954E+00 -0.352E+00 -0.119E-02 +GLU 634 CD 455 GLN 567 O 216 0.910E+00 -0.384E+00 -0.159E-02 +GLU 634 CD 455 LEU 568 N 225 0.798E+00 -0.300E+00 -0.407E-02 +GLU 634 CD 455 LEU 568 O 228 0.885E+00 -0.397E+00 -0.188E-02 +GLU 634 CD 455 LEU 568 CD2 232 0.448E+00 -0.357E+00 -0.971E-01 +GLU 634 OE1 456 ALA 561 C 154 0.102E+01 -0.351E+00 -0.799E-03 +GLU 634 OE1 456 HIS 564 C 184 0.679E+00 -0.815E+00 -0.907E-02 +GLU 634 OE1 456 HIS 564 CG 187 0.674E+00 -0.348E+00 -0.951E-02 +GLU 634 OE1 456 LEU 565 C 197 0.872E+00 -0.449E+00 -0.204E-02 +GLU 634 OE1 456 LEU 566 C 206 0.988E+00 -0.370E+00 -0.972E-03 +GLU 634 OE1 456 GLN 567 C 215 0.785E+00 -0.394E+00 -0.385E-02 +GLU 634 OE1 456 GLN 567 CD 219 0.101E+01 -0.416E+00 -0.837E-03 +GLU 634 OE1 456 LEU 568 C 227 0.803E+00 -0.517E+00 -0.336E-02 +GLU 634 OE1 456 LEU 568 CG 230 0.455E+00 -0.578E+00 -0.101E+00 +GLU 634 OE1 456 LEU 568 CD1 231 0.421E+00 0.451E+00 -0.149E+00 +GLU 634 OE1 456 LEU 568 CD2 232 0.371E+00 0.627E+00 -0.235E+00 +GLU 634 OE2 457 HIS 564 C 184 0.889E+00 -0.503E+00 -0.183E-02 +GLU 634 OE2 457 LEU 568 C 227 0.921E+00 -0.411E+00 -0.147E-02 +ILE 635 N 459 HIS 564 C 184 0.766E+00 -0.356E+00 -0.523E-02 +ILE 635 N 459 LEU 568 C 227 0.765E+00 -0.308E+00 -0.524E-02 +ILE 635 N 459 LEU 568 CD1 231 0.390E+00 0.300E+00 -0.209E+00 +ILE 635 CA 460 LEU 565 CD2 202 0.411E+00 0.594E-01 -0.155E+00 +ILE 635 CA 460 LEU 568 CD1 231 0.413E+00 0.585E-01 -0.152E+00 +ILE 635 C 461 ALA 561 O 155 0.864E+00 -0.305E+00 -0.217E-02 +ILE 635 C 461 HIS 564 O 185 0.825E+00 -0.314E+00 -0.284E-02 +ILE 635 C 461 LEU 565 O 198 0.800E+00 -0.350E+00 -0.342E-02 +ILE 635 C 461 LEU 565 CD2 202 0.436E+00 -0.284E+00 -0.109E+00 +ILE 635 O 462 ALA 561 C 154 0.878E+00 -0.332E+00 -0.196E-02 +ILE 635 O 462 HIS 564 C 184 0.798E+00 -0.454E+00 -0.348E-02 +ILE 635 O 462 LEU 565 C 197 0.776E+00 -0.413E+00 -0.412E-02 +ILE 635 O 462 LEU 565 CG 200 0.497E+00 -0.352E+00 -0.632E-01 +ILE 635 O 462 LEU 565 CD2 202 0.370E+00 0.477E+00 -0.237E+00 +ILE 635 O 462 LEU 568 C 227 0.914E+00 -0.313E+00 -0.154E-02 +ILE 635 CG1 464 LEU 568 CB 229 0.446E+00 -0.122E-01 -0.112E+00 +ILE 635 CG1 464 LEU 568 CD1 231 0.428E+00 -0.115E-01 -0.133E+00 +ILE 635 CG2 465 LEU 565 CD2 202 0.432E+00 0.665E-01 -0.128E+00 +ILE 635 CD1 466 LEU 565 CD2 202 0.415E+00 0.573E-01 -0.150E+00 +ILE 635 CD1 466 LEU 568 CA 226 0.450E+00 0.384E-01 -0.108E+00 +ILE 635 CD1 466 LEU 568 CG 230 0.397E+00 -0.100E+00 -0.169E+00 +ASN 637 C 481 ALA 561 O 155 0.770E+00 -0.404E+00 -0.431E-02 +ASN 637 O 482 ALA 561 C 154 0.813E+00 -0.320E+00 -0.311E-02 +ASN 637 ND2 486 HIS 564 C 184 0.105E+01 -0.373E+00 -0.813E-03 +TYR 638 N 490 ALA 561 C 154 0.724E+00 -0.367E+00 -0.728E-02 +TYR 638 N 490 HIS 564 C 184 0.754E+00 -0.396E+00 -0.572E-02 +TYR 638 C 492 ARG 557 O 113 0.879E+00 -0.338E+00 -0.196E-02 +TYR 638 C 492 ALA 558 O 130 0.808E+00 -0.374E+00 -0.322E-02 +TYR 638 C 492 ILE 559 O 136 0.988E+00 -0.302E+00 -0.968E-03 +TYR 638 C 492 GLU 560 O 145 0.836E+00 -0.377E+00 -0.264E-02 +TYR 638 C 492 ALA 561 N 152 0.755E+00 -0.308E+00 -0.569E-02 +TYR 638 C 492 ALA 561 O 155 0.557E+00 -0.785E+00 -0.292E-01 +TYR 638 C 492 ALA 561 CB 156 0.547E+00 -0.339E+00 -0.343E-01 +TYR 638 C 492 GLN 562 N 158 0.680E+00 -0.359E+00 -0.106E-01 +TYR 638 C 492 GLN 562 O 161 0.816E+00 -0.374E+00 -0.304E-02 +TYR 638 C 492 GLN 562 OE1 165 0.998E+00 -0.301E+00 -0.910E-03 +TYR 638 C 492 GLN 562 NE2 166 0.891E+00 -0.505E+00 -0.212E-02 +TYR 638 C 492 HIS 564 N 182 0.817E+00 -0.349E+00 -0.354E-02 +TYR 638 C 492 HIS 564 O 185 0.823E+00 -0.345E+00 -0.290E-02 +TYR 638 C 492 HIS 564 ND1 188 0.773E+00 -0.308E+00 -0.493E-02 +TYR 638 C 492 LEU 565 N 195 0.663E+00 -0.346E+00 -0.122E-01 +TYR 638 C 492 LEU 565 O 198 0.879E+00 -0.326E+00 -0.195E-02 +TYR 638 O 493 ARG 557 C 112 0.869E+00 -0.368E+00 -0.209E-02 +TYR 638 O 493 ALA 558 C 129 0.806E+00 -0.327E+00 -0.327E-02 +TYR 638 O 493 ALA 561 C 154 0.551E+00 -0.698E+00 -0.310E-01 +TYR 638 O 493 GLN 562 CD 164 0.820E+00 -0.371E+00 -0.295E-02 +TYR 638 O 493 HIS 564 C 184 0.788E+00 -0.394E+00 -0.374E-02 +TYR 638 CB 494 ALA 561 O 155 0.433E+00 0.120E+00 -0.131E+00 +TYR 638 CB 494 LEU 565 CG 200 0.411E+00 -0.472E-01 -0.155E+00 +TYR 638 CB 494 LEU 565 CD2 202 0.368E+00 0.404E-01 -0.168E+00 +TYR 638 CG 495 HIS 564 CB 186 0.390E+00 -0.932E-01 -0.155E+00 +TYR 638 CG 495 HIS 564 ND1 188 0.450E+00 -0.179E+00 -0.107E+00 +TYR 638 CD1 496 ALA 561 O 155 0.445E+00 0.392E+00 -0.100E+00 +TYR 638 CD1 496 HIS 564 CB 186 0.399E+00 0.142E+00 -0.149E+00 +TYR 638 CD1 496 HIS 564 CG 187 0.432E+00 -0.212E+00 -0.101E+00 +TYR 638 CD1 496 HIS 564 ND1 188 0.382E+00 0.444E+00 -0.193E+00 +TYR 638 CD1 496 HIS 564 HD1 193 0.296E+00 -0.338E+00 -0.357E-01 +TYR 638 CD2 497 HIS 564 C 184 0.474E+00 -0.401E+00 -0.657E-01 +TYR 638 CD2 497 HIS 564 CB 186 0.379E+00 0.163E+00 -0.157E+00 +TYR 638 CD2 497 LEU 568 CD1 231 0.373E+00 0.138E+00 -0.154E+00 +TYR 638 CE1 498 HIS 564 CB 186 0.393E+00 0.148E+00 -0.154E+00 +TYR 638 CE1 498 HIS 564 CG 187 0.383E+00 -0.289E+00 -0.140E+00 +TYR 638 CE1 498 HIS 564 CE1 190 0.400E+00 -0.240E-01 -0.131E+00 +TYR 638 CE1 498 HIS 564 HD1 193 0.210E+00 -0.926E+00 0.159E+00 +TYR 638 CE2 499 HIS 564 C 184 0.506E+00 -0.341E+00 -0.466E-01 +TYR 638 CE2 499 HIS 564 CB 186 0.368E+00 0.176E+00 -0.148E+00 +TYR 638 CE2 499 HIS 564 CG 187 0.410E+00 -0.241E+00 -0.123E+00 +TYR 638 CE2 499 HIS 564 ND1 188 0.390E+00 0.418E+00 -0.186E+00 +TYR 638 CE2 499 LEU 568 CD1 231 0.427E+00 0.959E-01 -0.119E+00 +TYR 638 CZ 500 HIS 564 CB 186 0.377E+00 -0.186E+00 -0.157E+00 +TYR 638 CZ 500 HIS 564 CG 187 0.370E+00 0.357E+00 -0.134E+00 +TYR 638 CZ 500 HIS 564 ND1 188 0.308E+00 -0.903E+00 0.726E+00 +TYR 638 CZ 500 HIS 564 CE1 190 0.402E+00 0.268E-01 -0.129E+00 +TYR 638 OH 501 ALA 561 C 154 0.733E+00 -0.310E+00 -0.636E-02 +TYR 638 OH 501 HIS 564 C 184 0.632E+00 -0.482E+00 -0.154E-01 +TYR 638 OH 501 HIS 564 CB 186 0.426E+00 0.277E+00 -0.153E+00 +TYR 638 OH 501 HIS 564 CG 187 0.374E+00 -0.710E+00 -0.212E+00 +TYR 638 OH 501 HIS 564 CE1 190 0.348E+00 -0.806E-01 -0.201E+00 +TYR 638 OH 501 HIS 564 NE2 191 0.444E+00 0.160E+00 -0.138E+00 +TYR 638 OH 501 HIS 564 HD1 193 0.241E+00 -0.142E+01 -0.893E-01 +TYR 638 HH 503 GLU 560 O 145 0.656E+00 -0.314E+00 0.000E+00 +TYR 638 HH 503 HIS 564 ND1 188 0.274E+00 -0.203E+01 0.000E+00 +TYR 638 HH 503 HIS 564 CD2 189 0.457E+00 -0.356E+00 0.000E+00 +THR 639 N 504 LEU 565 CD2 202 0.423E+00 0.133E+00 -0.160E+00 +THR 639 C 506 ALA 561 O 155 0.802E+00 -0.341E+00 -0.338E-02 +THR 639 C 506 GLN 562 NE2 166 0.919E+00 -0.433E+00 -0.176E-02 +THR 639 O 507 ALA 561 C 154 0.836E+00 -0.321E+00 -0.263E-02 +THR 639 O 507 GLN 562 CD 164 0.915E+00 -0.325E+00 -0.154E-02 +THR 639 OG1 509 ALA 561 C 154 0.837E+00 -0.350E+00 -0.289E-02 +THR 639 OG1 509 GLN 562 CD 164 0.951E+00 -0.334E+00 -0.135E-02 +THR 639 OG1 509 HIS 564 C 184 0.873E+00 -0.378E+00 -0.224E-02 +THR 639 OG1 509 LEU 565 C 197 0.803E+00 -0.378E+00 -0.371E-02 +THR 639 OG1 509 LEU 565 CG 200 0.450E+00 -0.434E+00 -0.116E+00 +THR 639 OG1 509 LEU 565 CD1 201 0.414E+00 0.344E+00 -0.173E+00 +THR 639 OG1 509 LEU 565 CD2 202 0.394E+00 0.392E+00 -0.210E+00 +THR 639 HG1 512 LEU 565 CD2 202 0.335E+00 -0.409E+00 0.000E+00 +SER 640 O 516 ARG 557 C 112 0.102E+01 -0.317E+00 -0.798E-03 +LEU 641 C 523 ASN 554 O 84 0.843E+00 -0.302E+00 -0.251E-02 +LEU 641 C 523 ARG 557 O 113 0.687E+00 -0.484E+00 -0.850E-02 +LEU 641 C 523 ARG 557 NH1 119 0.818E+00 -0.416E+00 -0.352E-02 +LEU 641 C 523 ARG 557 NH2 120 0.973E+00 -0.315E+00 -0.125E-02 +LEU 641 C 523 ALA 558 N 127 0.726E+00 -0.305E+00 -0.715E-02 +LEU 641 C 523 ALA 558 O 130 0.711E+00 -0.435E+00 -0.692E-02 +LEU 641 C 523 ALA 561 O 155 0.762E+00 -0.382E+00 -0.458E-02 +LEU 641 C 523 ALA 561 CB 156 0.508E+00 -0.370E+00 -0.515E-01 +LEU 641 C 523 GLN 562 NE2 166 0.899E+00 -0.458E+00 -0.201E-02 +LEU 641 O 524 ASN 554 C 83 0.860E+00 -0.336E+00 -0.223E-02 +LEU 641 O 524 ARG 557 C 112 0.686E+00 -0.597E+00 -0.854E-02 +LEU 641 O 524 ARG 557 CZ 118 0.805E+00 -0.344E+00 -0.330E-02 +LEU 641 O 524 ALA 558 C 129 0.731E+00 -0.413E+00 -0.589E-02 +LEU 641 O 524 ALA 561 C 154 0.774E+00 -0.372E+00 -0.418E-02 +LEU 641 O 524 GLN 562 CD 164 0.919E+00 -0.326E+00 -0.149E-02 +LEU 641 CD2 528 ALA 561 CB 156 0.425E+00 0.123E+00 -0.137E+00 +ILE 642 N 530 ARG 557 C 112 0.734E+00 -0.424E+00 -0.671E-02 +ILE 642 N 530 ALA 558 C 129 0.703E+00 -0.360E+00 -0.872E-02 +ILE 642 N 530 ALA 561 C 154 0.641E+00 -0.432E+00 -0.150E-01 +ILE 642 N 530 ALA 561 CB 156 0.464E+00 0.362E+00 -0.104E+00 +ILE 642 N 530 GLN 562 CD 164 0.796E+00 -0.335E+00 -0.415E-02 +ILE 642 C 532 ASN 554 O 84 0.820E+00 -0.315E+00 -0.296E-02 +ILE 642 C 532 ARG 557 O 113 0.767E+00 -0.391E+00 -0.442E-02 +ILE 642 C 532 ARG 557 NH1 119 0.985E+00 -0.307E+00 -0.116E-02 +ILE 642 C 532 ALA 558 O 130 0.669E+00 -0.487E+00 -0.999E-02 +ILE 642 C 532 ALA 561 O 155 0.823E+00 -0.332E+00 -0.290E-02 +ILE 642 C 532 GLN 562 OE1 165 0.840E+00 -0.362E+00 -0.256E-02 +ILE 642 C 532 GLN 562 NE2 166 0.707E+00 -0.695E+00 -0.841E-02 +ILE 642 O 533 ASN 554 C 83 0.849E+00 -0.381E+00 -0.241E-02 +ILE 642 O 533 LEU 555 C 94 0.938E+00 -0.301E+00 -0.132E-02 +ILE 642 O 533 ARG 557 C 112 0.767E+00 -0.537E+00 -0.440E-02 +ILE 642 O 533 ALA 558 C 129 0.685E+00 -0.519E+00 -0.862E-02 +ILE 642 O 533 ALA 561 C 154 0.818E+00 -0.374E+00 -0.300E-02 +ILE 642 O 533 GLN 562 CD 164 0.738E+00 -0.529E+00 -0.557E-02 +ILE 642 CB 534 ALA 561 CB 156 0.451E+00 -0.532E-01 -0.106E+00 +ILE 642 CG1 535 ALA 558 O 130 0.441E+00 -0.483E-01 -0.119E+00 +ILE 642 CG1 535 ALA 561 CA 153 0.431E+00 -0.259E-02 -0.130E+00 +ILE 642 CG1 535 ALA 561 C 154 0.406E+00 0.612E-01 -0.142E+00 +ILE 642 CG1 535 ALA 561 O 155 0.449E+00 -0.462E-01 -0.109E+00 +ILE 642 CG1 535 GLN 562 N 158 0.419E+00 -0.384E-01 -0.166E+00 +ILE 642 CG1 535 GLN 562 CG 163 0.419E+00 -0.198E-02 -0.145E+00 +ILE 642 CG2 536 GLN 562 CG 163 0.419E+00 0.117E-01 -0.145E+00 +ILE 642 CG2 536 GLN 562 CD 164 0.463E+00 -0.305E+00 -0.834E-01 +ILE 642 CG2 536 GLN 562 NE2 166 0.421E+00 0.511E+00 -0.163E+00 +ILE 642 CD1 537 ALA 561 CA 153 0.455E+00 0.103E-01 -0.102E+00 +ILE 642 CD1 537 ALA 561 C 154 0.380E+00 -0.335E+00 -0.157E+00 +ILE 642 CD1 537 ALA 561 O 155 0.392E+00 0.300E+00 -0.200E+00 +ILE 642 CD1 537 ALA 561 CB 156 0.399E+00 0.119E+00 -0.168E+00 +ILE 642 CD1 537 GLN 562 N 158 0.383E+00 0.223E+00 -0.217E+00 +ILE 642 CD1 537 GLN 562 CA 159 0.384E+00 -0.212E-01 -0.177E+00 +ILE 642 CD1 537 GLN 562 CB 162 0.439E+00 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-0.388E+00 -0.782E-02 +SER 649 C 600 GLN 551 CD 52 0.430E+00 0.136E+01 -0.103E+00 +SER 649 C 600 GLN 551 OE1 53 0.380E+00 -0.177E+01 -0.197E+00 +SER 649 C 600 GLN 551 NE2 54 0.386E+00 -0.238E+01 -0.190E+00 +SER 649 C 600 ASN 554 OD1 87 0.728E+00 -0.333E+00 -0.604E-02 +SER 649 C 600 ASN 554 ND2 88 0.617E+00 -0.688E+00 -0.188E-01 +SER 649 O 601 GLY 547 C 14 0.882E+00 -0.315E+00 -0.191E-02 +SER 649 O 601 GLN 550 CD 40 0.968E+00 -0.313E+00 -0.110E-02 +SER 649 O 601 GLN 551 C 48 0.710E+00 -0.334E+00 -0.697E-02 +SER 649 O 601 GLN 551 CD 52 0.365E+00 -0.251E+01 -0.215E+00 +SER 649 O 601 GLN 551 OE1 53 0.342E+00 0.282E+01 -0.332E+00 +SER 649 O 601 ASN 554 C 83 0.786E+00 -0.407E+00 -0.380E-02 +SER 649 O 601 ASN 554 CG 86 0.669E+00 -0.524E+00 -0.998E-02 +SER 649 CB 602 GLN 551 CD 52 0.418E+00 0.446E+00 -0.130E+00 +SER 649 CB 602 GLN 551 OE1 53 0.338E+00 -0.737E+00 -0.209E+00 +SER 649 CB 602 GLN 551 NE2 54 0.417E+00 -0.591E+00 -0.169E+00 +SER 649 CB 602 ASN 554 CB 85 0.437E+00 -0.560E-01 -0.123E+00 +SER 649 CB 602 LEU 555 CD2 99 0.446E+00 -0.696E-01 -0.112E+00 +SER 649 OG 603 GLN 550 C 36 0.730E+00 -0.349E+00 -0.655E-02 +SER 649 OG 603 GLN 550 CD 40 0.899E+00 -0.388E+00 -0.189E-02 +SER 649 OG 603 GLN 551 C 48 0.570E+00 -0.579E+00 -0.281E-01 +SER 649 OG 603 GLN 551 CD 52 0.455E+00 -0.157E+01 -0.985E-01 +SER 649 OG 603 GLN 551 OE1 53 0.357E+00 0.276E+01 -0.314E+00 +SER 649 OG 603 GLN 552 C 60 0.733E+00 -0.346E+00 -0.637E-02 +SER 649 OG 603 ASN 553 C 72 0.644E+00 -0.657E+00 -0.137E-01 +SER 649 OG 603 ASN 553 CG 75 0.911E+00 -0.332E+00 -0.175E-02 +SER 649 OG 603 ASN 554 CA 82 0.416E+00 -0.132E+00 -0.169E+00 +SER 649 OG 603 ASN 554 C 83 0.387E+00 -0.220E+01 -0.197E+00 +SER 649 OG 603 ASN 554 O 84 0.405E+00 0.165E+01 -0.192E+00 +SER 649 OG 603 ASN 554 CG 86 0.432E+00 -0.156E+01 -0.127E+00 +SER 649 OG 603 LEU 555 N 92 0.421E+00 0.101E+01 -0.179E+00 +SER 649 OG 603 LEU 555 C 94 0.596E+00 -0.718E+00 -0.217E-01 +SER 649 OG 603 LEU 555 CG 97 0.490E+00 -0.376E+00 -0.746E-01 +SER 649 OG 603 LEU 555 CD2 99 0.409E+00 0.377E+00 -0.182E+00 +SER 649 OG 603 LEU 556 C 103 0.820E+00 -0.387E+00 -0.327E-02 +SER 649 OG 603 ARG 557 C 112 0.765E+00 -0.558E+00 -0.496E-02 +SER 649 OG 603 ARG 557 NE 117 0.801E+00 -0.327E+00 -0.460E-02 +SER 649 OG 603 ARG 557 CZ 118 0.783E+00 -0.414E+00 -0.430E-02 +SER 649 OG 603 ALA 558 C 129 0.789E+00 -0.412E+00 -0.412E-02 +SER 649 OG 603 GLN 562 CD 164 0.103E+01 -0.316E+00 -0.852E-03 +SER 649 HG 605 GLN 550 O 37 0.574E+00 -0.536E+00 0.000E+00 +SER 649 HG 605 GLN 550 NE2 42 0.739E+00 -0.501E+00 0.000E+00 +SER 649 HG 605 GLN 551 N 46 0.598E+00 -0.335E+00 0.000E+00 +SER 649 HG 605 GLN 551 O 49 0.389E+00 -0.137E+01 0.000E+00 +SER 649 HG 605 GLN 551 OE1 53 0.287E+00 -0.356E+01 0.000E+00 +SER 649 HG 605 GLN 551 NE2 54 0.449E+00 -0.149E+01 0.000E+00 +SER 649 HG 605 GLN 552 N 58 0.604E+00 -0.329E+00 0.000E+00 +SER 649 HG 605 GLN 552 O 61 0.669E+00 -0.388E+00 0.000E+00 +SER 649 HG 605 ASN 553 N 70 0.663E+00 -0.301E+00 0.000E+00 +SER 649 HG 605 ASN 553 O 73 0.618E+00 -0.424E+00 0.000E+00 +SER 649 HG 605 ASN 554 N 81 0.460E+00 -0.684E+00 0.000E+00 +SER 649 HG 605 ASN 554 O 84 0.393E+00 -0.124E+01 0.000E+00 +SER 649 HG 605 ASN 554 CB 85 0.253E+00 -0.769E+00 0.000E+00 +SER 649 HG 605 ASN 554 OD1 87 0.459E+00 -0.841E+00 0.000E+00 +SER 649 HG 605 ASN 554 ND2 88 0.404E+00 -0.172E+01 0.000E+00 +SER 649 HG 605 LEU 555 N 92 0.372E+00 -0.975E+00 0.000E+00 +SER 649 HG 605 LEU 555 O 95 0.628E+00 -0.436E+00 0.000E+00 +SER 649 HG 605 ARG 557 NH1 119 0.825E+00 -0.320E+00 0.000E+00 +SER 649 HG 605 ARG 557 NH2 120 0.705E+00 -0.425E+00 0.000E+00 +GLN 650 N 606 GLN 551 CD 52 0.555E+00 -0.591E+00 -0.345E-01 +GLN 650 C 608 GLN 551 OE1 53 0.640E+00 -0.443E+00 -0.129E-01 +GLN 650 C 608 GLN 551 NE2 54 0.586E+00 -0.752E+00 -0.254E-01 +GLN 650 C 608 ASN 554 ND2 88 0.856E+00 -0.322E+00 -0.269E-02 +GLN 650 O 609 GLN 551 CD 52 0.687E+00 -0.552E+00 -0.851E-02 +GLN 650 CD 612 GLN 551 OE1 53 0.962E+00 -0.342E+00 -0.114E-02 +GLN 650 CD 612 GLN 551 NE2 54 0.908E+00 -0.526E+00 -0.189E-02 +GLN 650 NE2 614 GLN 551 CD 52 0.103E+01 -0.431E+00 -0.862E-03 +ASN 651 N 618 GLN 551 CD 52 0.686E+00 -0.422E+00 -0.101E-01 +ASN 651 C 620 GLY 547 O 15 0.843E+00 -0.316E+00 -0.251E-02 +ASN 651 C 620 GLN 550 NE2 42 0.872E+00 -0.519E+00 -0.241E-02 +ASN 651 C 620 GLN 551 OE1 53 0.646E+00 -0.640E+00 -0.122E-01 +ASN 651 C 620 GLN 551 NE2 54 0.637E+00 -0.927E+00 -0.156E-01 +ASN 651 C 620 ASN 554 ND2 88 0.762E+00 -0.579E+00 -0.537E-02 +ASN 651 O 621 GLN 551 CD 52 0.723E+00 -0.464E+00 -0.626E-02 +ASN 651 CG 623 GLN 550 NE2 42 0.103E+01 -0.382E+00 -0.908E-03 +ASN 651 CG 623 GLN 551 OE1 53 0.885E+00 -0.340E+00 -0.187E-02 +ASN 651 CG 623 GLN 551 NE2 54 0.910E+00 -0.458E+00 -0.186E-02 +ASN 651 CG 623 ASN 554 ND2 88 0.924E+00 -0.396E+00 -0.171E-02 +ASN 651 ND2 625 GLN 551 CD 52 0.989E+00 -0.409E+00 -0.114E-02 +ASN 651 ND2 625 ASN 554 CG 86 0.931E+00 -0.391E+00 -0.162E-02 +GLN 652 N 629 GLN 551 CD 52 0.566E+00 -0.567E+00 -0.310E-01 +GLN 652 N 629 ASN 554 CG 86 0.712E+00 -0.309E+00 -0.807E-02 +GLN 652 C 631 GLY 547 O 15 0.599E+00 -0.413E+00 -0.191E-01 +GLN 652 C 631 GLN 550 NE2 42 0.805E+00 -0.404E+00 -0.389E-02 +GLN 652 C 631 GLN 551 OE1 53 0.482E+00 -0.836E+00 -0.660E-01 +GLN 652 C 631 GLN 551 NE2 54 0.440E+00 -0.147E+01 -0.119E+00 +GLN 652 C 631 ASN 554 ND2 88 0.676E+00 -0.495E+00 -0.110E-01 +GLN 652 O 632 GLY 547 C 14 0.610E+00 -0.612E+00 -0.172E-01 +GLN 652 O 632 ILE 548 C 19 0.834E+00 -0.329E+00 -0.267E-02 +GLN 652 O 632 GLN 550 CD 40 0.894E+00 -0.345E+00 -0.177E-02 +GLN 652 O 632 GLN 551 CD 52 0.520E+00 -0.100E+01 -0.434E-01 +GLN 652 O 632 ASN 554 CG 86 0.848E+00 -0.329E+00 -0.243E-02 +GLN 652 CB 633 GLN 551 CD 52 0.429E+00 -0.905E-01 -0.117E+00 +GLN 652 CB 633 GLN 551 OE1 53 0.387E+00 0.111E+00 -0.210E+00 +GLN 652 CB 633 GLN 551 NE2 54 0.465E+00 0.980E-01 -0.102E+00 +GLN 652 CB 633 ASN 554 ND2 88 0.445E+00 0.966E-01 -0.127E+00 +GLN 652 CG 634 GLY 547 O 15 0.367E+00 0.651E-01 -0.241E+00 +GLN 652 CG 634 GLN 551 N 46 0.409E+00 0.371E-01 -0.182E+00 +GLN 652 CG 634 GLN 551 CA 47 0.409E+00 -0.356E-02 -0.158E+00 +GLN 652 CG 634 GLN 551 CB 50 0.391E+00 0.344E-02 -0.174E+00 +GLN 652 CG 634 GLN 551 CD 52 0.440E+00 -0.531E-01 -0.105E+00 +GLN 652 CG 634 GLN 551 OE1 53 0.410E+00 0.600E-01 -0.168E+00 +GLN 652 CG 634 ASN 554 ND2 88 0.414E+00 0.727E-01 -0.174E+00 +GLN 652 CD 635 SER 546 N 4 0.842E+00 -0.365E+00 -0.297E-02 +GLN 652 CD 635 SER 546 O 7 0.610E+00 -0.723E+00 -0.171E-01 +GLN 652 CD 635 SER 546 OG 9 0.738E+00 -0.545E+00 -0.611E-02 +GLN 652 CD 635 GLY 547 N 12 0.561E+00 -0.558E+00 -0.325E-01 +GLN 652 CD 635 GLY 547 CA 13 0.426E+00 -0.372E+00 -0.120E+00 +GLN 652 CD 635 GLY 547 O 15 0.380E+00 -0.198E+01 -0.197E+00 +GLN 652 CD 635 ILE 548 N 17 0.574E+00 -0.641E+00 -0.286E-01 +GLN 652 CD 635 ILE 548 O 20 0.719E+00 -0.555E+00 -0.649E-02 +GLN 652 CD 635 VAL 549 N 26 0.743E+00 -0.378E+00 -0.624E-02 +GLN 652 CD 635 VAL 549 O 29 0.781E+00 -0.311E+00 -0.396E-02 +GLN 652 CD 635 GLN 550 N 34 0.607E+00 -0.487E+00 -0.207E-01 +GLN 652 CD 635 GLN 550 O 37 0.573E+00 -0.804E+00 -0.247E-01 +GLN 652 CD 635 GLN 550 CB 38 0.415E+00 -0.986E-01 -0.133E+00 +GLN 652 CD 635 GLN 550 OE1 41 0.617E+00 -0.762E+00 -0.160E-01 +GLN 652 CD 635 GLN 550 NE2 42 0.446E+00 -0.227E+01 -0.112E+00 +GLN 652 CD 635 GLN 551 N 46 0.468E+00 -0.884E+00 -0.882E-01 +GLN 652 CD 635 GLN 551 O 49 0.723E+00 -0.500E+00 -0.625E-02 +GLN 652 CD 635 GLN 551 OE1 53 0.557E+00 -0.952E+00 -0.291E-01 +GLN 652 CD 635 GLN 551 NE2 54 0.655E+00 -0.950E+00 -0.133E-01 +GLN 652 CD 635 GLN 552 N 58 0.734E+00 -0.333E+00 -0.671E-02 +GLN 652 CD 635 ASN 553 ND2 77 0.102E+01 -0.392E+00 -0.957E-03 +GLN 652 CD 635 ASN 554 N 81 0.806E+00 -0.312E+00 -0.384E-02 +GLN 652 CD 635 ASN 554 OD1 87 0.671E+00 -0.540E+00 -0.980E-02 +GLN 652 CD 635 ASN 554 ND2 88 0.478E+00 -0.170E+01 -0.790E-01 +GLN 652 CD 635 ARG 557 NH2 120 0.898E+00 -0.416E+00 -0.202E-02 +GLN 652 OE1 636 SER 546 C 6 0.651E+00 -0.493E+00 -0.116E-01 +GLN 652 OE1 636 SER 546 HG 11 0.811E+00 -0.302E+00 0.000E+00 +GLN 652 OE1 636 GLY 547 C 14 0.514E+00 -0.997E+00 -0.463E-01 +GLN 652 OE1 636 GLY 547 O 15 0.450E+00 0.120E+01 -0.102E+00 +GLN 652 OE1 636 ILE 548 C 19 0.754E+00 -0.438E+00 -0.489E-02 +GLN 652 OE1 636 VAL 549 C 28 0.730E+00 -0.365E+00 -0.593E-02 +GLN 652 OE1 636 GLN 550 C 36 0.504E+00 -0.752E+00 -0.516E-01 +GLN 652 OE1 636 GLN 550 CB 38 0.389E+00 0.110E+00 -0.205E+00 +GLN 652 OE1 636 GLN 550 CG 39 0.382E+00 0.718E-01 -0.218E+00 +GLN 652 OE1 636 GLN 550 CD 40 0.414E+00 -0.195E+01 -0.143E+00 +GLN 652 OE1 636 GLN 550 NE2 42 0.350E+00 0.402E+01 -0.306E+00 +GLN 652 OE1 636 GLN 551 C 48 0.694E+00 -0.377E+00 -0.801E-02 +GLN 652 OE1 636 GLN 551 CD 52 0.666E+00 -0.652E+00 -0.102E-01 +GLN 652 OE1 636 ASN 553 C 72 0.895E+00 -0.354E+00 -0.175E-02 +GLN 652 OE1 636 ASN 553 CG 75 0.950E+00 -0.304E+00 -0.122E-02 +GLN 652 OE1 636 ASN 554 C 83 0.924E+00 -0.336E+00 -0.145E-02 +GLN 652 OE1 636 ASN 554 CG 86 0.572E+00 -0.784E+00 -0.249E-01 +GLN 652 OE1 636 ASN 554 ND2 88 0.449E+00 0.186E+01 -0.120E+00 +GLN 652 NE2 637 SER 546 C 6 0.575E+00 -0.903E+00 -0.283E-01 +GLN 652 NE2 637 SER 546 HG 11 0.695E+00 -0.562E+00 0.000E+00 +GLN 652 NE2 637 GLY 547 CA 13 0.352E+00 0.813E+00 -0.183E+00 +GLN 652 NE2 637 GLY 547 C 14 0.400E+00 -0.260E+01 -0.173E+00 +GLN 652 NE2 637 GLY 547 O 15 0.370E+00 0.281E+01 -0.280E+00 +GLN 652 NE2 637 ILE 548 C 19 0.690E+00 -0.729E+00 -0.973E-02 +GLN 652 NE2 637 VAL 549 C 28 0.749E+00 -0.489E+00 -0.595E-02 +GLN 652 NE2 637 VAL 549 CB 30 0.882E+00 -0.326E+00 -0.254E-02 +GLN 652 NE2 637 GLN 550 C 36 0.580E+00 -0.768E+00 -0.268E-01 +GLN 652 NE2 637 GLN 550 CB 38 0.456E+00 0.103E+00 -0.113E+00 +GLN 652 NE2 637 GLN 550 CD 40 0.573E+00 -0.126E+01 -0.287E-01 +GLN 652 NE2 637 GLN 551 C 48 0.733E+00 -0.477E+00 -0.675E-02 +GLN 652 NE2 637 GLN 551 CD 52 0.655E+00 -0.950E+00 -0.133E-01 +GLN 652 NE2 637 ASN 553 C 72 0.102E+01 -0.406E+00 -0.936E-03 +GLN 652 NE2 637 ASN 554 C 83 0.104E+01 -0.394E+00 -0.825E-03 +GLN 652 NE2 637 ASN 554 CG 86 0.732E+00 -0.667E+00 -0.682E-02 +GLN 653 N 641 GLN 551 CD 52 0.431E+00 -0.108E+01 -0.130E+00 +GLN 653 N 641 GLN 551 OE1 53 0.458E+00 0.875E+00 -0.107E+00 +GLN 653 N 641 GLN 551 NE2 54 0.371E+00 0.212E+01 -0.274E+00 +GLN 653 CA 642 GLN 551 NE2 54 0.377E+00 -0.194E+00 -0.221E+00 +GLN 653 C 643 GLN 551 OE1 53 0.669E+00 -0.405E+00 -0.994E-02 +GLN 653 C 643 GLN 551 NE2 54 0.527E+00 -0.953E+00 -0.464E-01 +GLN 653 O 644 GLY 547 C 14 0.839E+00 -0.333E+00 -0.259E-02 +GLN 653 O 644 GLN 551 CD 52 0.666E+00 -0.588E+00 -0.103E-01 +GLN 653 CB 645 GLN 551 NE2 54 0.364E+00 0.184E+00 -0.216E+00 +GLN 653 CG 646 GLN 551 NE2 54 0.421E+00 0.787E-01 -0.163E+00 +GLN 653 CD 647 GLY 547 O 15 0.825E+00 -0.355E+00 -0.284E-02 +GLN 653 CD 647 ILE 548 O 20 0.908E+00 -0.369E+00 -0.160E-02 +GLN 653 CD 647 GLN 551 O 49 0.851E+00 -0.374E+00 -0.237E-02 +GLN 653 CD 647 GLN 551 OE1 53 0.589E+00 -0.841E+00 -0.210E-01 +GLN 653 CD 647 GLN 551 NE2 54 0.375E+00 -0.356E+01 -0.196E+00 +GLN 653 CD 647 ASN 554 ND2 88 0.975E+00 -0.417E+00 -0.124E-02 +GLN 653 OE1 648 GLY 547 C 14 0.784E+00 -0.416E+00 -0.386E-02 +GLN 653 OE1 648 ILE 548 C 19 0.832E+00 -0.368E+00 -0.271E-02 +GLN 653 OE1 648 GLN 551 C 48 0.717E+00 -0.354E+00 -0.659E-02 +GLN 653 OE1 648 GLN 551 CG 51 0.398E+00 0.648E-01 -0.190E+00 +GLN 653 OE1 648 GLN 551 CD 52 0.377E+00 -0.250E+01 -0.201E+00 +GLN 653 OE1 648 GLN 552 CD 64 0.990E+00 -0.327E+00 -0.957E-03 +GLN 653 OE1 648 ASN 554 C 83 0.979E+00 -0.307E+00 -0.102E-02 +GLN 653 OE1 648 ASN 554 CG 86 0.940E+00 -0.310E+00 -0.131E-02 +GLN 653 NE2 649 GLY 547 C 14 0.940E+00 -0.433E+00 -0.154E-02 +GLN 653 NE2 649 ILE 548 C 19 0.975E+00 -0.401E+00 -0.123E-02 +GLN 653 NE2 649 GLN 551 C 48 0.902E+00 -0.334E+00 -0.197E-02 +GLN 653 NE2 649 GLN 551 CD 52 0.578E+00 -0.124E+01 -0.275E-01 +GLN 653 NE2 649 GLN 551 NE2 54 0.474E+00 0.258E+01 -0.102E+00 +GLU 654 N 653 GLN 551 CD 52 0.696E+00 -0.402E+00 -0.920E-02 +GLU 654 C 655 GLN 551 NE2 54 0.809E+00 -0.448E+00 -0.375E-02 +GLU 654 O 656 GLN 551 CD 52 0.956E+00 -0.326E+00 -0.118E-02 +GLU 654 CD 659 GLN 551 NE2 54 0.943E+00 -0.567E+00 -0.150E-02 +GLU 654 OE1 660 GLN 551 CD 52 0.976E+00 -0.438E+00 -0.104E-02 +LYS 655 C 665 SER 546 O 7 0.986E+00 -0.331E+00 -0.982E-03 +LYS 655 C 665 SER 546 OG 9 0.929E+00 -0.399E+00 -0.155E-02 +LYS 655 C 665 GLY 547 O 15 0.753E+00 -0.453E+00 -0.492E-02 +LYS 655 C 665 ILE 548 N 17 0.804E+00 -0.357E+00 -0.391E-02 +LYS 655 C 665 GLN 551 OE1 53 0.920E+00 -0.397E+00 -0.148E-02 +LYS 655 C 665 GLN 551 NE2 54 0.855E+00 -0.629E+00 -0.270E-02 +LYS 655 O 666 GLY 547 C 14 0.780E+00 -0.377E+00 -0.399E-02 +LYS 655 HZ1 673 GLN 550 NE2 42 0.727E+00 -0.342E+00 -0.231E-03 +ASN 656 N 676 GLY 547 C 14 0.651E+00 -0.406E+00 -0.136E-01 +ASN 656 N 676 GLN 551 CD 52 0.764E+00 -0.344E+00 -0.530E-02 +ASN 656 C 678 SER 546 OG 9 0.960E+00 -0.323E+00 -0.127E-02 +ASN 656 C 678 GLY 547 O 15 0.744E+00 -0.395E+00 -0.531E-02 +ASN 656 C 678 ILE 548 N 17 0.729E+00 -0.363E+00 -0.700E-02 +ASN 656 C 678 ILE 548 O 20 0.979E+00 -0.303E+00 -0.102E-02 +ASN 656 C 678 GLN 551 OE1 53 0.934E+00 -0.330E+00 -0.136E-02 +ASN 656 C 678 GLN 551 NE2 54 0.825E+00 -0.569E+00 -0.336E-02 +ASN 656 O 679 GLY 547 C 14 0.745E+00 -0.381E+00 -0.523E-02 +ASN 656 CG 681 SER 546 N 4 0.749E+00 -0.392E+00 -0.598E-02 +ASN 656 CG 681 SER 546 O 7 0.665E+00 -0.530E+00 -0.104E-01 +ASN 656 CG 681 SER 546 OG 9 0.745E+00 -0.468E+00 -0.577E-02 +ASN 656 CG 681 GLY 547 N 12 0.518E+00 -0.586E+00 -0.512E-01 +ASN 656 CG 681 GLY 547 CA 13 0.397E+00 -0.390E+00 -0.150E+00 +ASN 656 CG 681 GLY 547 C 14 0.368E+00 0.214E+01 -0.132E+00 +ASN 656 CG 681 GLY 547 O 15 0.369E+00 -0.186E+01 -0.211E+00 +ASN 656 CG 681 ILE 548 N 17 0.417E+00 -0.120E+01 -0.150E+00 +ASN 656 CG 681 ILE 548 O 20 0.645E+00 -0.600E+00 -0.123E-01 +ASN 656 CG 681 VAL 549 N 26 0.686E+00 -0.386E+00 -0.101E-01 +ASN 656 CG 681 GLN 550 N 34 0.720E+00 -0.302E+00 -0.755E-02 +ASN 656 CG 681 GLN 550 O 37 0.797E+00 -0.366E+00 -0.351E-02 +ASN 656 CG 681 GLN 550 OE1 41 0.950E+00 -0.304E+00 -0.122E-02 +ASN 656 CG 681 GLN 550 NE2 42 0.832E+00 -0.531E+00 -0.320E-02 +ASN 656 CG 681 GLN 551 N 46 0.593E+00 -0.448E+00 -0.237E-01 +ASN 656 CG 681 GLN 551 O 49 0.818E+00 -0.350E+00 -0.300E-02 +ASN 656 CG 681 GLN 551 OE1 53 0.634E+00 -0.631E+00 -0.137E-01 +ASN 656 CG 681 GLN 551 NE2 54 0.596E+00 -0.101E+01 -0.231E-01 +ASN 656 CG 681 GLN 552 NE2 66 0.104E+01 -0.375E+00 -0.838E-03 +ASN 656 CG 681 ASN 554 ND2 88 0.783E+00 -0.522E+00 -0.457E-02 +ASN 656 OD1 682 SER 546 C 6 0.544E+00 -0.609E+00 -0.334E-01 +ASN 656 OD1 682 SER 546 HG 11 0.637E+00 -0.400E+00 0.000E+00 +ASN 656 OD1 682 GLY 547 N 12 0.421E+00 0.878E+00 -0.166E+00 +ASN 656 OD1 682 GLY 547 C 14 0.320E+00 -0.286E+01 -0.243E-01 +ASN 656 OD1 682 GLY 547 O 15 0.347E+00 0.200E+01 -0.324E+00 +ASN 656 OD1 682 ILE 548 N 17 0.383E+00 0.135E+01 -0.249E+00 +ASN 656 OD1 682 ILE 548 C 19 0.598E+00 -0.582E+00 -0.192E-01 +ASN 656 OD1 682 GLN 550 C 36 0.688E+00 -0.322E+00 -0.844E-02 +ASN 656 OD1 682 GLN 550 CD 40 0.790E+00 -0.396E+00 -0.369E-02 +ASN 656 OD1 682 GLN 551 CD 52 0.662E+00 -0.554E+00 -0.106E-01 +ASN 656 ND2 683 SER 546 C 6 0.653E+00 -0.612E+00 -0.135E-01 +ASN 656 ND2 683 SER 546 HG 11 0.820E+00 -0.368E+00 0.000E+00 +ASN 656 ND2 683 GLY 547 CA 13 0.421E+00 0.450E+00 -0.163E+00 +ASN 656 ND2 683 GLY 547 C 14 0.357E+00 -0.313E+01 -0.178E+00 +ASN 656 ND2 683 GLY 547 O 15 0.315E+00 0.386E+01 -0.100E+00 +ASN 656 ND2 683 ILE 548 N 17 0.418E+00 0.160E+01 -0.190E+00 +ASN 656 ND2 683 ILE 548 CA 18 0.458E+00 0.288E+00 -0.111E+00 +ASN 656 ND2 683 ILE 548 C 19 0.557E+00 -0.101E+01 -0.340E-01 +ASN 656 ND2 683 VAL 549 C 28 0.737E+00 -0.447E+00 -0.658E-02 +ASN 656 ND2 683 GLN 550 C 36 0.607E+00 -0.616E+00 -0.205E-01 +ASN 656 ND2 683 GLN 550 CD 40 0.782E+00 -0.600E+00 -0.463E-02 +ASN 656 ND2 683 GLN 551 C 48 0.613E+00 -0.603E+00 -0.194E-01 +ASN 656 ND2 683 GLN 551 CB 50 0.365E+00 0.163E+00 -0.216E+00 +ASN 656 ND2 683 GLN 551 CG 51 0.404E+00 0.774E-01 -0.190E+00 +ASN 656 ND2 683 GLN 551 CD 52 0.446E+00 -0.201E+01 -0.111E+00 +ASN 656 ND2 683 GLN 552 CD 64 0.920E+00 -0.456E+00 -0.174E-02 +ASN 656 ND2 683 ASN 553 C 72 0.101E+01 -0.366E+00 -0.100E-02 +ASN 656 ND2 683 ASN 554 C 83 0.988E+00 -0.378E+00 -0.114E-02 +ASN 656 ND2 683 ASN 554 CG 86 0.790E+00 -0.515E+00 -0.435E-02 +GLU 657 C 689 GLN 551 NE2 54 0.104E+01 -0.301E+00 -0.830E-03 +GLU 657 CD 693 GLN 551 OE1 53 0.101E+01 -0.363E+00 -0.843E-03 +GLU 657 CD 693 GLN 551 NE2 54 0.817E+00 -0.718E+00 -0.356E-02 +GLU 657 OE1 694 GLN 551 CD 52 0.102E+01 -0.411E+00 -0.801E-03 +GLU 657 OE2 695 GLN 551 CD 52 0.871E+00 -0.525E+00 -0.206E-02 +GLU 659 CD 715 SER 546 N 4 0.632E+00 -0.716E+00 -0.163E-01 +GLU 659 CD 715 SER 546 O 7 0.802E+00 -0.488E+00 -0.339E-02 +GLU 659 CD 715 SER 546 OG 9 0.548E+00 -0.115E+01 -0.354E-01 +GLU 659 CD 715 GLY 547 N 12 0.579E+00 -0.596E+00 -0.271E-01 +GLU 659 CD 715 GLY 547 O 15 0.808E+00 -0.421E+00 -0.322E-02 +GLU 659 CD 715 ILE 548 N 17 0.720E+00 -0.461E+00 -0.757E-02 +GLU 659 OE1 716 SER 546 C 6 0.609E+00 -0.743E+00 -0.173E-01 +GLU 659 OE1 716 SER 546 HG 11 0.448E+00 -0.140E+01 0.000E+00 +GLU 659 OE1 716 GLY 547 C 14 0.605E+00 -0.907E+00 -0.180E-01 +GLU 659 OE1 716 ILE 548 C 19 0.873E+00 -0.446E+00 -0.204E-02 +GLU 659 OE1 716 GLN 550 CD 40 0.103E+01 -0.406E+00 -0.757E-03 +GLU 659 OE2 717 SER 546 C 6 0.678E+00 -0.598E+00 -0.920E-02 +GLU 659 OE2 717 SER 546 HG 11 0.423E+00 -0.162E+01 0.000E+00 +GLU 659 OE2 717 GLY 547 C 14 0.753E+00 -0.588E+00 -0.492E-02 +GLU 659 OE2 717 ILE 548 C 19 0.988E+00 -0.367E+00 -0.967E-03