USER MOD reduce.3.24.130724 H: found=0, std=0, add=4176, rem=0, adj=143 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSFERASE 03-MAR-06 2G8X TITLE ESCHERICHIA COLI Y209W APOPROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: TS, TSASE; COMPND 5 EC: 2.1.1.45; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 GENE: THYA; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: CHI2913RECA; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID KEYWDS BETA SHEET, ALPHA/BETA PROTEIN, DTT, TRANSFERASE EXPDTA X-RAY DIFFRACTION AUTHOR T.T.LEE,J.S.FINER-MOORE,R.M.STROUD REVDAT 3 13-JUL-11 2G8X 1 VERSN REVDAT 2 24-FEB-09 2G8X 1 VERSN REVDAT 1 14-MAR-06 2G8X 0 JRNL AUTH Z.NEWBY,T.T.LEE,R.J.MORSE,L.LIU,Y.LIU,P.VENKATRAMAN, JRNL AUTH 2 D.V.SANTI,J.S.FINER-MOORE,R.M.STROUD JRNL TITL THE ROLE OF PROTEIN DYNAMICS IN THYMIDYLATE SYNTHASE JRNL TITL 2 CATALYSIS: VARIANTS OF CONSERVED DUMP-BINDING TYR-261 JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.83 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.83 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.70 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 2091436.200 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.4 REMARK 3 NUMBER OF REFLECTIONS : 41153 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) : 0.164 REMARK 3 FREE R VALUE : 0.202 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2076 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.83 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.91 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.00 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 4773 REMARK 3 BIN R VALUE (WORKING SET) : 0.2250 REMARK 3 BIN FREE R VALUE : 0.3010 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.10 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 256 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.019 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 4276 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 38 REMARK 3 SOLVENT ATOMS : 348 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 25.90 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 1.15000 REMARK 3 B22 (A**2) : -5.39000 REMARK 3 B33 (A**2) : 4.24000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 8.60000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.17 REMARK 3 ESD FROM SIGMAA (A) : 0.15 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.22 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.22 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.016 REMARK 3 BOND ANGLES (DEGREES) : 1.60 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.40 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.55 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 0.990 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.600 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.440 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.340 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.43 REMARK 3 BSOL : 57.54 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 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : PARAM.PO4 REMARK 3 PARAMETER FILE 4 : CARBONATE.PARAM REMARK 3 PARAMETER FILE 5 : DTT_ODT_GCL.PARAM REMARK 3 PARAMETER FILE 6 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : CARBONATE.TOPO REMARK 3 TOPOLOGY FILE 4 : TOPO.FORMIC REMARK 3 TOPOLOGY FILE 5 : DTT_ODT_GCL.TOP REMARK 3 TOPOLOGY FILE 6 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HIS-51 AND CYS-146 IN CHAIN A ARE IN REMARK 3 TWO CONFORMATIONS IN THE CRYSTAL REMARK 4 REMARK 4 2G8X COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-MAR-06. REMARK 100 THE RCSB ID CODE IS RCSB036836. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-JAN-01 REMARK 200 TEMPERATURE (KELVIN) : 173 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : BL7-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.08 REMARK 200 MONOCHROMATOR : SI(111) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 41273 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.830 REMARK 200 RESOLUTION RANGE LOW (A) : 30.700 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 200 DATA REDUNDANCY : 7.300 REMARK 200 R MERGE (I) : 0.06400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 28.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.83 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.86 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.9 REMARK 200 DATA REDUNDANCY IN SHELL : 6.00 REMARK 200 R MERGE FOR SHELL (I) : 0.45000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 3.200 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: PDB CODE 1TJS REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 36.66 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.94 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 7.8MG/ML PROTEIN, 25MM KPO4, PH 7.5, REMARK 280 AND 5MM DTT EQUILIBRATED AGAINST A WELL BUFFER CONTAINING 28% PEG REMARK 280 4K, 100 MM TRIS-CL, PH 8.9, 200MM SODIUM ACETATE AND 5MM DTT, REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 33.30500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 39.84500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 33.30500 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 39.84500 REMARK 290 SMTRY3 4 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 300 REMARK: CHAINS A AND B CONSTITUTE THE BIOLOGICAL HOMODIMER 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 6360 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 20040 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -35.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ALA A 263 REMARK 465 ILE A 264 REMARK 465 ALA B 263 REMARK 465 ILE B 264 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ARG B 21 CG CD NE CZ NH1 NH2 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 OE2 GLU A 237 O HOH A 498 2.05 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 LEU A 143 CA - CB - CG ANGL. DEV. = 14.6 DEGREES REMARK 500 ARG A 222 NE - CZ - NH1 ANGL. DEV. = 6.3 DEGREES REMARK 500 ARG A 222 NE - CZ - NH2 ANGL. DEV. = -4.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 TYR A 94 -67.85 -27.05 REMARK 500 ALA A 100 53.89 -156.12 REMARK 500 ASP A 122 56.72 -148.23 REMARK 500 TYR B 94 -72.57 -16.05 REMARK 500 ALA B 100 51.72 -158.77 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 671 DISTANCE = 5.04 ANGSTROMS REMARK 525 HOH B 696 DISTANCE = 5.05 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CO3 A 803 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CO3 B 804 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CO3 B 805 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 565 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 B 567 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DTT A 800 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DTT B 801 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2G8M RELATED DB: PDB REMARK 900 E. COLI Y209W IN COMPLEX WITH DUMP AND CB3717 REMARK 900 RELATED ID: 2G86 RELATED DB: PDB REMARK 900 L. CASEI THYMIDYLATE SYNTHASE Y261F-DUMP REMARK 900 RELATED ID: 2G8A RELATED DB: PDB REMARK 900 L. CASEI THYMIDYLATE SYNTHASE Y261M-DUMP REMARK 900 RELATED ID: 2G89 RELATED DB: PDB REMARK 900 L. CASEI THYMIDYLATE SYNTHASE Y261A-DUMP REMARK 900 RELATED ID: 2G8D RELATED DB: PDB REMARK 900 L. CASEI THYMIDYLATE SYNTHASE Y261W-DUMP REMARK 900 RELATED ID: 2G8O RELATED DB: PDB REMARK 900 E. COLI IN COMPLEX WITH DUMP AND CB3717 DBREF 2G8X A 1 264 UNP P0A884 TYSY_ECOLI 1 264 DBREF 2G8X B 1 264 UNP P0A884 TYSY_ECOLI 1 264 SEQADV 2G8X CXM A 1 UNP P0A884 MET 1 MODIFIED RESIDUE SEQADV 2G8X TRP A 209 UNP P0A884 TYR 209 ENGINEERED SEQADV 2G8X CXM B 1 UNP P0A884 MET 1 MODIFIED RESIDUE SEQADV 2G8X TRP B 209 UNP P0A884 TYR 209 ENGINEERED SEQRES 1 A 264 CXM LYS GLN TYR LEU GLU LEU MET GLN LYS VAL LEU ASP SEQRES 2 A 264 GLU GLY THR GLN LYS ASN ASP ARG THR GLY THR GLY THR SEQRES 3 A 264 LEU SER ILE PHE GLY HIS GLN MET ARG PHE ASN LEU GLN SEQRES 4 A 264 ASP GLY PHE PRO LEU VAL THR THR LYS ARG CYS HIS LEU SEQRES 5 A 264 ARG SER ILE ILE HIS GLU LEU LEU TRP PHE LEU GLN GLY SEQRES 6 A 264 ASP THR ASN ILE ALA TYR LEU HIS GLU ASN ASN VAL THR SEQRES 7 A 264 ILE TRP ASP GLU TRP ALA ASP GLU ASN GLY ASP LEU GLY SEQRES 8 A 264 PRO VAL TYR GLY LYS GLN TRP ARG ALA TRP PRO THR PRO SEQRES 9 A 264 ASP GLY ARG HIS ILE ASP GLN ILE THR THR VAL LEU ASN SEQRES 10 A 264 GLN LEU LYS ASN ASP PRO ASP SER ARG ARG ILE ILE VAL SEQRES 11 A 264 SER ALA TRP ASN VAL GLY GLU LEU ASP LYS MET ALA LEU SEQRES 12 A 264 ALA PRO CYS HIS ALA PHE PHE GLN PHE TYR VAL ALA ASP SEQRES 13 A 264 GLY LYS LEU SER CYS GLN LEU TYR GLN ARG SER CYS ASP SEQRES 14 A 264 VAL PHE LEU GLY LEU PRO PHE ASN ILE ALA SER TYR ALA SEQRES 15 A 264 LEU LEU VAL HIS MET MET ALA GLN GLN CYS ASP LEU GLU SEQRES 16 A 264 VAL GLY ASP PHE VAL TRP THR GLY GLY ASP THR HIS LEU SEQRES 17 A 264 TRP SER ASN HIS MET ASP GLN THR HIS LEU GLN LEU SER SEQRES 18 A 264 ARG GLU PRO ARG PRO LEU PRO LYS LEU ILE ILE LYS ARG SEQRES 19 A 264 LYS PRO GLU SER ILE PHE ASP TYR ARG PHE GLU ASP PHE SEQRES 20 A 264 GLU ILE GLU GLY TYR ASP PRO HIS PRO GLY ILE LYS ALA SEQRES 21 A 264 PRO VAL ALA ILE SEQRES 1 B 264 CXM LYS GLN TYR LEU GLU LEU MET GLN LYS VAL LEU ASP SEQRES 2 B 264 GLU GLY THR GLN LYS ASN ASP ARG THR GLY THR GLY THR SEQRES 3 B 264 LEU SER ILE PHE GLY HIS GLN MET ARG PHE ASN LEU GLN SEQRES 4 B 264 ASP GLY PHE PRO LEU VAL THR THR LYS ARG CYS HIS LEU SEQRES 5 B 264 ARG SER ILE ILE HIS GLU LEU LEU TRP PHE LEU GLN GLY SEQRES 6 B 264 ASP THR ASN ILE ALA TYR LEU HIS GLU ASN ASN VAL THR SEQRES 7 B 264 ILE TRP ASP GLU TRP ALA ASP GLU ASN GLY ASP LEU GLY SEQRES 8 B 264 PRO VAL TYR GLY LYS GLN TRP ARG ALA TRP PRO THR PRO SEQRES 9 B 264 ASP GLY ARG HIS ILE ASP GLN ILE THR THR VAL LEU ASN SEQRES 10 B 264 GLN LEU LYS ASN ASP PRO ASP SER ARG ARG ILE ILE VAL SEQRES 11 B 264 SER ALA TRP ASN VAL GLY GLU LEU ASP LYS MET ALA LEU SEQRES 12 B 264 ALA PRO CYS HIS ALA PHE PHE GLN PHE TYR VAL ALA ASP SEQRES 13 B 264 GLY LYS LEU SER CYS GLN LEU TYR GLN ARG SER CYS ASP SEQRES 14 B 264 VAL PHE LEU GLY LEU PRO PHE ASN ILE ALA SER TYR ALA SEQRES 15 B 264 LEU LEU VAL HIS MET MET ALA GLN GLN CYS ASP LEU GLU SEQRES 16 B 264 VAL GLY ASP PHE VAL TRP THR GLY GLY ASP THR HIS LEU SEQRES 17 B 264 TRP SER ASN HIS MET ASP GLN THR HIS LEU GLN LEU SER SEQRES 18 B 264 ARG GLU PRO ARG PRO LEU PRO LYS LEU ILE ILE LYS ARG SEQRES 19 B 264 LYS PRO GLU SER ILE PHE ASP TYR ARG PHE GLU ASP PHE SEQRES 20 B 264 GLU ILE GLU GLY TYR ASP PRO HIS PRO GLY ILE LYS ALA SEQRES 21 B 264 PRO VAL ALA ILE MODRES 2G8X CXM A 1 MET N-CARBOXYMETHIONINE MODRES 2G8X CXM B 1 MET N-CARBOXYMETHIONINE HET CXM A 1 11 HET CXM B 1 11 HET CO3 A 803 4 HET CO3 B 804 4 HET CO3 B 805 4 HET PO4 A 565 5 HET PO4 B 567 5 HET DTT A 800 8 HET DTT B 801 8 HETNAM CXM N-CARBOXYMETHIONINE HETNAM CO3 CARBONATE ION HETNAM PO4 PHOSPHATE ION HETNAM DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE HETSYN DTT 1,4-DITHIOTHREITOL FORMUL 1 CXM 2(C6 H11 N O4 S) FORMUL 3 CO3 3(C O3 2-) FORMUL 6 PO4 2(O4 P 3-) FORMUL 8 DTT 2(C4 H10 O2 S2) FORMUL 10 HOH *348(H2 O) HELIX 1 1 CXM A 1 GLY A 15 1 15 HELIX 2 2 LEU A 52 GLY A 65 1 14 HELIX 3 3 ILE A 69 ASN A 75 1 7 HELIX 4 4 VAL A 93 ALA A 100 1 8 HELIX 5 5 ASP A 110 ASP A 122 1 13 HELIX 6 6 ASN A 134 MET A 141 5 8 HELIX 7 7 LEU A 172 CYS A 192 1 21 HELIX 8 8 HIS A 212 SER A 221 1 10 HELIX 9 9 ARG A 243 GLU A 245 5 3 HELIX 10 10 CXM B 1 GLY B 15 1 15 HELIX 11 11 HIS B 51 GLY B 65 1 15 HELIX 12 12 ILE B 69 ASN B 75 1 7 HELIX 13 13 VAL B 93 ALA B 100 1 8 HELIX 14 14 ASP B 110 ASP B 122 1 13 HELIX 15 15 ASN B 134 MET B 141 5 8 HELIX 16 16 LEU B 172 CYS B 192 1 21 HELIX 17 17 HIS B 212 SER B 221 1 10 HELIX 18 18 ARG B 243 GLU B 245 5 3 SHEET 1 A 6 THR A 16 LYS A 18 0 SHEET 2 A 6 THR A 26 ASN A 37 -1 O SER A 28 N THR A 16 SHEET 3 A 6 GLU A 195 TRP A 209 -1 O PHE A 199 N PHE A 36 SHEET 4 A 6 LYS A 158 ASP A 169 1 N GLN A 165 O THR A 202 SHEET 5 A 6 HIS A 147 ALA A 155 -1 N TYR A 153 O SER A 160 SHEET 6 A 6 ILE A 128 SER A 131 -1 N VAL A 130 O PHE A 150 SHEET 1 B 2 TRP A 101 PRO A 102 0 SHEET 2 B 2 HIS A 108 ILE A 109 -1 O ILE A 109 N TRP A 101 SHEET 1 C 2 LYS A 229 ILE A 232 0 SHEET 2 C 2 PHE A 247 GLU A 250 -1 O GLU A 248 N ILE A 231 SHEET 1 D 6 THR B 16 LYS B 18 0 SHEET 2 D 6 THR B 26 ASN B 37 -1 O THR B 26 N LYS B 18 SHEET 3 D 6 GLU B 195 TRP B 209 -1 O PHE B 199 N PHE B 36 SHEET 4 D 6 LYS B 158 ASP B 169 1 N GLN B 165 O THR B 202 SHEET 5 D 6 HIS B 147 ALA B 155 -1 N TYR B 153 O SER B 160 SHEET 6 D 6 ILE B 129 SER B 131 -1 N VAL B 130 O PHE B 150 SHEET 1 E 2 TRP B 101 PRO B 102 0 SHEET 2 E 2 HIS B 108 ILE B 109 -1 O ILE B 109 N TRP B 101 SHEET 1 F 2 LYS B 229 ILE B 232 0 SHEET 2 F 2 PHE B 247 GLU B 250 -1 O GLU B 248 N ILE B 231 LINK C CXM A 1 N LYS A 2 1555 1555 1.32 LINK C CXM B 1 N LYS B 2 1555 1555 1.33 SITE *** AC1 5 CYS A 50 HIS A 51 HOH A 317 HOH A 517 SITE *** AC1 5 HOH A 655 SITE *** AC2 4 CYS B 50 HIS B 51 HOH B 340 HOH B 532 SITE *** AC3 8 TRP A 101 PRO A 102 PRO A 104 HOH A 291 SITE *** AC3 8 TRP B 101 PRO B 102 ASN B 134 GLY B 136 SITE *** AC4 5 ARG A 21 ARG A 166 SER A 167 HOH A 608 SITE *** AC4 5 ARG B 126 SITE *** AC5 5 ARG A 126 ARG B 166 SER B 167 HOH B 296 SITE *** AC5 5 HOH B 512 SITE *** AC6 7 GLU A 58 ILE A 79 TRP A 80 PHE A 176 SITE *** AC6 7 HOH A 615 HOH A 642 HOH A 661 SITE *** AC7 4 GLU B 58 ILE B 79 TRP B 80 HOH B 697 CRYST1 66.610 79.690 92.240 90.00 103.86 90.00 C 1 2 1 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.015013 0.000000 0.003704 0.00000 SCALE2 0.000000 0.012549 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011166 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 1 CXM HO2 : A 1 CXM ON2 : A 1 CXM CN :(short bond) USER MOD NoAdj-H: B 1 CXM HO2 : B 1 CXM ON2 : B 1 CXM CN :(short bond) USER MOD Set 1.1: B 190 GLN :FLIP amide:sc= 1.04 F(o=0.5,f=3.1) USER MOD Set 1.2: B 191 GLN :FLIP amide:sc= 0.71 F(o=1.3,f=3.1) USER MOD Set 1.3: B 242 TYR OH : rot -174:sc= 1.33 USER MOD Set 2.1: B 94 TYR OH : rot 142:sc= 1.62 USER MOD Set 2.2: B 147 HIS :FLIP no HD1:sc= 0.809 F(o=-6!,f=4.7) USER MOD Set 2.3: B 181 TYR OH : rot 169:sc= 2.25 USER MOD Set 3.1: B 167 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 207 HIS : no HD1:sc= -0.0197 X(o=-0.02,f=-0.025) USER MOD Set 4.1: B 165 GLN : amide:sc= 1.6 K(o=2.4,f=-4.7!) USER MOD Set 4.2: B 177 ASN :FLIP amide:sc= 0.798 F(o=-5.7,f=2.4) USER MOD Set 5.1: A 33 GLN :FLIP amide:sc= 0.59 F(o=3.6,f=6.4) USER MOD Set 5.2: A 151 GLN : amide:sc= 1.55 K(o=6.4,f=3.8) USER MOD Set 5.3: A 162 GLN :FLIP amide:sc= 1.48 F(o=2.7,f=6.4) USER MOD Set 5.4: A 202 THR OG1 : rot 143:sc= 1.67 USER MOD Set 5.5: B 164 TYR OH : rot -170:sc= 1.13 USER MOD Set 6.1: B 97 GLN : amide:sc= 0.792 K(o=1.2,f=-5.2) USER MOD Set 6.2: B 134 ASN :FLIP amide:sc= 0.381 F(o=-3.4!,f=1.2) USER MOD Set 7.1: B 117 ASN :FLIP amide:sc= -0.0164 F(o=0.6,f=1.4) USER MOD Set 7.2: B 121 ASN : amide:sc= 1.38 X(o=1.4,f=1.2) USER MOD Set 8.1: B 57 HIS : no HD1:sc= 0.938 K(o=2.3,f=-5.9!) USER MOD Set 8.2: B 71 TYR OH : rot -138:sc= 1.37 USER MOD Set 9.1: B 26 THR OG1 : rot 114:sc= 0.292 USER MOD Set 9.2: B 28 SER OG : rot -114:sc= 1.63 USER MOD Set10.1: B 10 LYS NZ :NH3+ 155:sc= 1.35 (180deg=0.0497) USER MOD Set10.2: B 32 HIS : no HD1:sc= -1.66 K(o=-0.31,f=-19!) USER MOD Set11.1: B 4 TYR OH : rot -17:sc= 2.64 USER MOD Set11.2: B 8 MET CE :methyl -130:sc= -0.0295 (180deg=0) USER MOD Set11.3: B 47 THR OG1 : rot -70:sc= 0.996 USER MOD Set11.4: B 216 THR OG1 : rot 79:sc= 0.539 USER MOD Set11.5: B 219 GLN :FLIP amide:sc= 1.02 F(o=3.4!,f=5.2) USER MOD Set12.1: A 190 GLN :FLIP amide:sc= 1.04 F(o=2.1!,f=4.4) USER MOD Set12.2: A 191 GLN : amide:sc= 2.06 K(o=4.4,f=2.9) USER MOD Set12.3: A 242 TYR OH : rot -162:sc= 1.3 USER MOD Set13.1: A 147 HIS :FLIP no HD1:sc= 0.536 F(o=-11!,f=2.6) USER MOD Set13.2: A 181 TYR OH : rot 159:sc= 2.08 USER MOD Set14.1: A 167 SER OG : rot -129:sc= -1.61! USER MOD Set14.2: A 207 HIS :FLIP no HE2:sc= 0.0843 F(o=-2.1,f=-1.5) USER MOD Set15.1: A 164 TYR OH : rot -172:sc= 1.27 USER MOD Set15.2: B 33 GLN :FLIP amide:sc= 0.254 F(o=3.5,f=5.5) USER MOD Set15.3: B 151 GLN : amide:sc= 1.54 K(o=5.5,f=2.3) USER MOD Set15.4: B 162 GLN :FLIP amide:sc= 1.02 F(o=3.2,f=5.5) USER MOD Set15.5: B 202 THR OG1 : rot 141:sc= 1.39 USER MOD Set16.1: A 146 CYS SG B: rot 180:sc= -3.34! USER MOD Set16.2: A 165 GLN : amide:sc= 1.35 K(o=-1.6,f=-7.6!) USER MOD Set16.3: A 177 ASN :FLIP amide:sc= 0.398 F(o=-7!,f=-1.6) USER MOD Set17.1: A 117 ASN :FLIP amide:sc= 0.492 F(o=-0.42,f=1.9) USER MOD Set17.2: A 121 ASN : amide:sc= 1.38 K(o=1.9,f=0.39) USER MOD Set18.1: A 118 GLN : amide:sc= 1.23 K(o=2.1,f=0.19) USER MOD Set18.2: A 125 SER OG : rot -159:sc= 0.884 USER MOD Set19.1: A 97 GLN : amide:sc= 1.29 K(o=2.3,f=-3.6) USER MOD Set19.2: A 134 ASN :FLIP amide:sc= 0.988 F(o=-1.7!,f=2.3) USER MOD Set20.1: A 57 HIS : no HD1:sc= 0.607 K(o=2,f=-6.2!) USER MOD Set20.2: A 71 TYR OH : rot -116:sc= 1.34 USER MOD Set21.1: A 10 LYS NZ :NH3+ -125:sc= 0.969 (180deg=0) USER MOD Set21.2: A 32 HIS : no HD1:sc= -0.623 K(o=0.35,f=-19!) USER MOD Set22.1: A 28 SER OG : rot 106:sc= 1.72 USER MOD Set22.2: B 153 TYR OH : rot -178:sc= 2.33 USER MOD Set23.1: A 4 TYR OH : rot -36:sc= 2.36 USER MOD Set23.2: A 8 MET CE :methyl -179:sc= -0.0102 (180deg=-0.0104) USER MOD Set23.3: A 47 THR OG1 : rot -67:sc= 1.53 USER MOD Set23.4: A 216 THR OG1 : rot 77:sc= 0.611 USER MOD Set23.5: A 219 GLN :FLIP amide:sc= 0.896 F(o=4.5,f=5.4) USER MOD Single : A 1 CXM CE :methyl 147:sc= -0.0341 (180deg=-0.14) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.12 K(o=1.1,f=-4.4!) USER MOD Single : A 9 GLN : amide:sc= 2.2 K(o=2.2,f=1) USER MOD Single : A 16 THR OG1 : rot -150:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= 0.627 F(o=-1.1!,f=0.63) USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 1.6 (180deg=1.54) USER MOD Single : A 19 ASN : amide:sc= -0.931 X(o=-0.93,f=-0.98) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 26 THR OG1 : rot -47:sc= 1.32 USER MOD Single : A 34 MET CE :methyl 172:sc= -0.817 (180deg=-0.936) USER MOD Single : A 37 ASN :FLIP amide:sc= -1.67 F(o=-8.9!,f=-1.7) USER MOD Single : A 39 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.38) USER MOD Single : A 46 THR OG1 : rot -69:sc= 2.01 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 1.54 (180deg=1.51) USER MOD Single : A 50 CYS SG : rot 54:sc= 0.0138 USER MOD Single : A 51 HIS A: no HD1:sc= 0.363 K(o=0.36,f=-4!) USER MOD Single : A 51 HIS B: no HD1:sc=0.000872 X(o=0.00087,f=-0.057) USER MOD Single : A 54 SER OG : rot -137:sc= 1.85 USER MOD Single : A 64 GLN : amide:sc= 0.825 X(o=0.82,f=1) USER MOD Single : A 67 THR OG1 : rot -152:sc= 2.13 USER MOD Single : A 68 ASN :FLIP amide:sc= 1.68 F(o=-3.8!,f=1.7) USER MOD Single : A 73 HIS : no HD1:sc= 0.341 K(o=0.34,f=-5.9!) USER MOD Single : A 75 ASN : amide:sc= -0.0265 X(o=-0.027,f=-0.3) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0977 F(o=-1.1,f=-0.098) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.978 K(o=0.98,f=0.25) USER MOD Single : A 94 TYR OH : rot -60:sc= 2.2 USER MOD Single : A 96 LYS NZ :NH3+ -176:sc= -0.158 (180deg=-0.223) USER MOD Single : A 103 THR OG1 : rot 110:sc= 1.49 USER MOD Single : A 108 HIS : no HD1:sc= -0.0662 X(o=-0.066,f=-0.17) USER MOD Single : A 111 GLN : amide:sc= 3.22 K(o=3.2,f=-3.8!) USER MOD Single : A 113 THR OG1 : rot -170:sc= 1.38 USER MOD Single : A 114 THR OG1 : rot 81:sc= 1.43 USER MOD Single : A 120 LYS NZ :NH3+ -160:sc= -0.178 (180deg=-0.644) USER MOD Single : A 131 SER OG : rot -172:sc= 1.13 USER MOD Single : A 140 LYS NZ :NH3+ -136:sc= 1.31 (180deg=-0.329) USER MOD Single : A 141 MET CE :methyl -133:sc= 0 (180deg=-1.34) USER MOD Single : A 146 CYS SG A: rot 180:sc= 0 USER MOD Single : A 153 TYR OH : rot -25:sc= 1.08 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 SER OG : rot 87:sc= 2.37 USER MOD Single : A 161 CYS SG : rot 180:sc= 0 USER MOD Single : A 168 CYS SG : rot 170:sc= -1.34 USER MOD Single : A 180 SER OG : rot 116:sc= 1.28 USER MOD Single : A 186 HIS : no HD1:sc= 1.47 K(o=1.5,f=-3.7!) USER MOD Single : A 187 MET CE :methyl -173:sc= -0.645 (180deg=-0.748) USER MOD Single : A 188 MET CE :methyl -166:sc= -4.65! (180deg=-5.39!) USER MOD Single : A 192 CYS SG : rot 86:sc= 0.00544 USER MOD Single : A 206 THR OG1 : rot 67:sc= 0.176 USER MOD Single : A 210 SER OG : rot -129:sc= 0.951 USER MOD Single : A 211 ASN : amide:sc= 0.0155 K(o=0.015,f=-4.1!) USER MOD Single : A 212 HIS :FLIP no HD1:sc= 0.804 F(o=-3.1!,f=0.8) USER MOD Single : A 213 MET CE :methyl -134:sc= -0.335 (180deg=-1.15) USER MOD Single : A 215 GLN :FLIP amide:sc= 0.491 F(o=-4.1!,f=0.49) USER MOD Single : A 217 HIS : no HD1:sc= 1.07 K(o=1.1,f=-2.2!) USER MOD Single : A 221 SER OG : rot -73:sc= 1.36 USER MOD Single : A 229 LYS NZ :NH3+ 164:sc= 0.484 (180deg=0.392) USER MOD Single : A 233 LYS NZ :NH3+ 178:sc= 1.36 (180deg=1.29) USER MOD Single : A 235 LYS NZ :NH3+ -143:sc= 1.29 (180deg=-0.0777) USER MOD Single : A 238 SER OG : rot -99:sc= 1.47 USER MOD Single : A 252 TYR OH : rot 2:sc= 2.33 USER MOD Single : A 255 HIS : no HD1:sc=-0.00252 K(o=-0.0025,f=-3.2!) USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 800 DTT O2 : rot 25:sc= 0.239 USER MOD Single : A 800 DTT O3 : rot 19:sc= 2.57 USER MOD Single : A 800 DTT S1 : rot 7:sc= -2.64! USER MOD Single : A 800 DTT S4 : rot 180:sc= 0 USER MOD Single : B 1 CXM CE :methyl -118:sc= 0 (180deg=-0.0626) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 GLN : amide:sc= 1.63 K(o=1.6,f=-3.6!) USER MOD Single : B 9 GLN : amide:sc= 0.667 K(o=0.67,f=-0.19) USER MOD Single : B 16 THR OG1 : rot 107:sc= 0.0752 USER MOD Single : B 17 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : B 18 LYS NZ :NH3+ -175:sc= 2.04 (180deg=1.93) USER MOD Single : B 19 ASN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 34 MET CE :methyl 167:sc= -0.585 (180deg=-0.998) USER MOD Single : B 37 ASN :FLIP amide:sc= 0.405 F(o=-5.6!,f=0.41) USER MOD Single : B 39 GLN : amide:sc= -2.06! C(o=-2.1!,f=-5.6!) USER MOD Single : B 46 THR OG1 : rot -60:sc= 1.89 USER MOD Single : B 48 LYS NZ :NH3+ -178:sc= 2.24 (180deg=2.23) USER MOD Single : B 50 CYS SG : rot 51:sc= -0.153 USER MOD Single : B 51 HIS : no HD1:sc= 0.187 X(o=0.19,f=-0.14) USER MOD Single : B 54 SER OG : rot 83:sc= 1.58 USER MOD Single : B 64 GLN : amide:sc= 0.797 X(o=0.8,f=0.4) USER MOD Single : B 67 THR OG1 : rot 88:sc= 2.08 USER MOD Single : B 68 ASN :FLIP amide:sc= 1.51 F(o=-3.4!,f=1.5) USER MOD Single : B 73 HIS :FLIP no HD1:sc= 0.194 F(o=-3.7!,f=0.19) USER MOD Single : B 75 ASN : amide:sc= -0.0155 X(o=-0.015,f=-0.015) USER MOD Single : B 76 ASN :FLIP amide:sc= -0.305 F(o=-1.3,f=-0.3) USER MOD Single : B 78 THR OG1 : rot 180:sc= 0 USER MOD Single : B 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 96 LYS NZ :NH3+ 173:sc= 3.2 (180deg=3.11) USER MOD Single : B 103 THR OG1 : rot 155:sc= 1.38 USER MOD Single : B 108 HIS : no HE2:sc= 1.3 K(o=1.3,f=-2.2!) USER MOD Single : B 111 GLN : amide:sc= 3.34 K(o=3.3,f=-3.2!) USER MOD Single : B 113 THR OG1 : rot 115:sc= 0.547 USER MOD Single : B 114 THR OG1 : rot 82:sc= 0.623 USER MOD Single : B 118 GLN : amide:sc= 1.04 K(o=1,f=-0.51) USER MOD Single : B 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 125 SER OG : rot -140:sc= -0.153 USER MOD Single : B 131 SER OG : rot -171:sc= 0.937 USER MOD Single : B 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 141 MET CE :methyl -144:sc= 0 (180deg=-0.409) USER MOD Single : B 146 CYS SG : rot 180:sc= 0 USER MOD Single : B 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 160 SER OG : rot 89:sc= 2.52 USER MOD Single : B 161 CYS SG : rot 180:sc= 0 USER MOD Single : B 168 CYS SG : rot 160:sc= -0.453 USER MOD Single : B 180 SER OG : rot 75:sc= 1.39 USER MOD Single : B 186 HIS : no HD1:sc= 0.689 K(o=0.69,f=-4.4!) USER MOD Single : B 187 MET CE :methyl -165:sc= -0.519 (180deg=-0.822) USER MOD Single : B 188 MET CE :methyl 140:sc= -14.2! (180deg=-22.3!) USER MOD Single : B 192 CYS SG : rot 150:sc= -0.174 USER MOD Single : B 206 THR OG1 : rot 73:sc= 0.222 USER MOD Single : B 210 SER OG : rot -144:sc= 0.811 USER MOD Single : B 211 ASN : amide:sc= -2.3! C(o=-2.3!,f=-3.5!) USER MOD Single : B 212 HIS :FLIP no HD1:sc= 0.161 F(o=-1.4,f=0.16) USER MOD Single : B 213 MET CE :methyl -169:sc= -0.657 (180deg=-1.04) USER MOD Single : B 215 GLN :FLIP amide:sc= 0.0321 F(o=-4.3!,f=0.032) USER MOD Single : B 217 HIS : no HD1:sc= -0.0207 X(o=-0.021,f=-0.047) USER MOD Single : B 221 SER OG : rot -31:sc= 1.34 USER MOD Single : B 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 233 LYS NZ :NH3+ -162:sc= -0.567 (180deg=-0.985) USER MOD Single : B 235 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 238 SER OG : rot 122:sc= 0.541 USER MOD Single : B 252 TYR OH : rot 11:sc= 2.01 USER MOD Single : B 255 HIS : no HD1:sc= 1.53 K(o=1.5,f=-4.8!) USER MOD Single : B 259 LYS NZ :NH3+ -122:sc= 0.0667 (180deg=0) USER MOD Single : B 801 DTT O2 : rot 41:sc= 0.415 USER MOD Single : B 801 DTT O3 : rot 32:sc= 0.934 USER MOD Single : B 801 DTT S1 : rot 180:sc= 0.773 USER MOD Single : B 801 DTT S4 : rot -27:sc= 0.0207 USER MOD ----------------------------------------------------------------- HETATM 1 N CXM A 1 11.572 -9.469 46.695 1.00 19.23 N HETATM 2 CA CXM A 1 12.712 -10.324 46.254 1.00 20.21 C HETATM 3 CB CXM A 1 12.400 -11.096 44.934 1.00 20.72 C HETATM 4 CG CXM A 1 11.214 -12.023 44.999 1.00 23.49 C HETATM 5 SD CXM A 1 10.837 -12.696 43.356 1.00 23.37 S HETATM 6 CE CXM A 1 10.008 -11.363 42.496 1.00 21.58 C HETATM 7 C CXM A 1 13.897 -9.451 45.968 1.00 19.96 C HETATM 8 O CXM A 1 13.755 -8.281 45.612 1.00 19.97 O HETATM 9 CN CXM A 1 10.696 -9.849 47.617 1.00 19.09 C HETATM 10 ON1 CXM A 1 9.776 -9.017 47.833 1.00 18.77 O HETATM 11 ON2 CXM A 1 10.561 -11.057 47.923 1.00 19.07 O HETATM 0 HG3 CXM A 1 11.398 -12.748 45.617 1.00 23.49 H new HETATM 0 HG2 CXM A 1 10.443 -11.546 45.343 1.00 23.49 H new HETATM 0 HE3 CXM A 1 10.226 -11.402 41.552 1.00 21.58 H new HETATM 0 HE2 CXM A 1 9.049 -11.451 42.610 1.00 21.58 H new HETATM 0 HE1 CXM A 1 10.299 -10.512 42.860 1.00 21.58 H new HETATM 0 HB3 CXM A 1 12.249 -10.450 44.226 1.00 20.72 H new HETATM 0 HB2 CXM A 1 13.183 -11.612 44.685 1.00 20.72 H new HETATM 0 HA CXM A 1 12.879 -10.960 46.967 1.00 20.21 H new HETATM 0 H CXM A 1 11.478 -8.694 46.335 1.00 19.23 H new ATOM 12 N LYS A 2 15.081 -10.004 46.142 1.00 19.96 N ATOM 13 CA LYS A 2 16.297 -9.209 45.997 1.00 20.96 C ATOM 14 C LYS A 2 16.339 -8.440 44.658 1.00 20.40 C ATOM 15 O LYS A 2 16.553 -7.236 44.626 1.00 19.95 O ATOM 16 CB LYS A 2 17.495 -10.128 46.136 1.00 21.84 C ATOM 17 CG LYS A 2 18.821 -9.365 46.255 1.00 26.85 C ATOM 18 CD LYS A 2 20.007 -10.320 46.250 1.00 35.13 C ATOM 19 CE LYS A 2 21.317 -9.508 46.380 1.00 40.84 C ATOM 20 NZ LYS A 2 22.562 -10.327 46.178 1.00 45.71 N ATOM 0 H LYS A 2 15.209 -10.830 46.343 1.00 19.96 H new ATOM 0 HA LYS A 2 16.313 -8.535 46.695 1.00 20.96 H new ATOM 0 HB2 LYS A 2 17.378 -10.688 46.919 1.00 21.84 H new ATOM 0 HB3 LYS A 2 17.535 -10.719 45.368 1.00 21.84 H new ATOM 0 HG2 LYS A 2 18.904 -8.738 45.519 1.00 26.85 H new ATOM 0 HG3 LYS A 2 18.825 -8.844 47.073 1.00 26.85 H new ATOM 0 HD2 LYS A 2 19.931 -10.951 46.983 1.00 35.13 H new ATOM 0 HD3 LYS A 2 20.015 -10.838 45.430 1.00 35.13 H new ATOM 0 HE2 LYS A 2 21.306 -8.787 45.732 1.00 40.84 H new ATOM 0 HE3 LYS A 2 21.348 -9.099 47.259 1.00 40.84 H new ATOM 0 HZ1 LYS A 2 23.278 -9.806 46.265 1.00 45.71 H new ATOM 0 HZ2 LYS A 2 22.593 -10.976 46.786 1.00 45.71 H new ATOM 0 HZ3 LYS A 2 22.553 -10.685 45.363 1.00 45.71 H new ATOM 21 N GLN A 3 16.130 -9.125 43.550 1.00 19.90 N ATOM 22 CA GLN A 3 16.227 -8.442 42.268 1.00 20.20 C ATOM 23 C GLN A 3 15.146 -7.365 42.096 1.00 18.91 C ATOM 24 O GLN A 3 15.353 -6.345 41.428 1.00 19.26 O ATOM 25 CB GLN A 3 16.072 -9.474 41.160 1.00 21.15 C ATOM 26 CG GLN A 3 17.351 -10.291 40.992 1.00 26.43 C ATOM 27 CD GLN A 3 17.284 -11.229 39.841 1.00 32.51 C ATOM 28 OE1 GLN A 3 17.825 -10.942 38.734 1.00 34.15 O ATOM 29 NE2 GLN A 3 16.632 -12.374 40.067 1.00 34.53 N ATOM 0 H GLN A 3 15.936 -9.962 43.512 1.00 19.90 H new ATOM 0 HA GLN A 3 17.090 -8.001 42.228 1.00 20.20 H new ATOM 0 HB2 GLN A 3 15.331 -10.065 41.365 1.00 21.15 H new ATOM 0 HB3 GLN A 3 15.857 -9.028 40.326 1.00 21.15 H new ATOM 0 HG2 GLN A 3 18.102 -9.689 40.871 1.00 26.43 H new ATOM 0 HG3 GLN A 3 17.519 -10.793 41.805 1.00 26.43 H new ATOM 0 HE21 GLN A 3 16.280 -12.524 40.837 1.00 34.53 H new ATOM 0 HE22 GLN A 3 16.564 -12.961 39.442 1.00 34.53 H new ATOM 30 N TYR A 4 13.982 -7.631 42.665 1.00 17.99 N ATOM 31 CA TYR A 4 12.841 -6.716 42.544 1.00 18.24 C ATOM 32 C TYR A 4 13.145 -5.431 43.311 1.00 18.44 C ATOM 33 O TYR A 4 12.960 -4.306 42.828 1.00 17.34 O ATOM 34 CB TYR A 4 11.587 -7.372 43.112 1.00 18.09 C ATOM 35 CG TYR A 4 10.412 -6.437 43.067 1.00 19.19 C ATOM 36 CD1 TYR A 4 9.748 -6.203 41.865 1.00 17.16 C ATOM 37 CD2 TYR A 4 9.960 -5.767 44.225 1.00 18.94 C ATOM 38 CE1 TYR A 4 8.640 -5.318 41.822 1.00 15.38 C ATOM 39 CE2 TYR A 4 8.873 -4.891 44.195 1.00 16.83 C ATOM 40 CZ TYR A 4 8.216 -4.672 42.979 1.00 18.87 C ATOM 41 OH TYR A 4 7.144 -3.829 42.921 1.00 19.05 O ATOM 0 H TYR A 4 13.824 -8.337 43.129 1.00 17.99 H new ATOM 0 HA TYR A 4 12.690 -6.509 41.608 1.00 18.24 H new ATOM 0 HB2 TYR A 4 11.383 -8.175 42.608 1.00 18.09 H new ATOM 0 HB3 TYR A 4 11.750 -7.646 44.028 1.00 18.09 H new ATOM 0 HD1 TYR A 4 10.032 -6.628 41.088 1.00 17.16 H new ATOM 0 HD2 TYR A 4 10.399 -5.914 45.032 1.00 18.94 H new ATOM 0 HE1 TYR A 4 8.196 -5.169 41.018 1.00 15.38 H new ATOM 0 HE2 TYR A 4 8.591 -4.461 44.970 1.00 16.83 H new ATOM 0 HH TYR A 4 7.150 -3.418 42.188 1.00 19.05 H new ATOM 42 N LEU A 5 13.634 -5.589 44.537 1.00 18.69 N ATOM 43 CA LEU A 5 14.008 -4.414 45.335 1.00 19.28 C ATOM 44 C LEU A 5 15.211 -3.673 44.731 1.00 19.07 C ATOM 45 O LEU A 5 15.266 -2.458 44.800 1.00 18.24 O ATOM 46 CB LEU A 5 14.355 -4.821 46.779 1.00 19.72 C ATOM 47 CG LEU A 5 13.241 -5.436 47.608 1.00 22.34 C ATOM 48 CD1 LEU A 5 13.769 -5.792 48.987 1.00 26.89 C ATOM 49 CD2 LEU A 5 12.015 -4.492 47.705 1.00 24.56 C ATOM 0 H LEU A 5 13.757 -6.348 44.923 1.00 18.69 H new ATOM 0 HA LEU A 5 13.240 -3.821 45.334 1.00 19.28 H new ATOM 0 HB2 LEU A 5 15.090 -5.453 46.746 1.00 19.72 H new ATOM 0 HB3 LEU A 5 14.678 -4.034 47.245 1.00 19.72 H new ATOM 0 HG LEU A 5 12.939 -6.246 47.167 1.00 22.34 H new ATOM 0 HD11 LEU A 5 13.056 -6.185 49.515 1.00 26.89 H new ATOM 0 HD12 LEU A 5 14.496 -6.429 48.901 1.00 26.89 H new ATOM 0 HD13 LEU A 5 14.093 -4.990 49.427 1.00 26.89 H new ATOM 0 HD21 LEU A 5 11.324 -4.913 48.239 1.00 24.56 H new ATOM 0 HD22 LEU A 5 12.281 -3.657 48.121 1.00 24.56 H new ATOM 0 HD23 LEU A 5 11.672 -4.314 46.815 1.00 24.56 H new ATOM 50 N GLU A 6 16.167 -4.394 44.163 1.00 19.92 N ATOM 51 CA GLU A 6 17.239 -3.761 43.419 1.00 21.39 C ATOM 52 C GLU A 6 16.716 -2.897 42.266 1.00 20.20 C ATOM 53 O GLU A 6 17.181 -1.776 42.042 1.00 19.43 O ATOM 54 CB GLU A 6 18.267 -4.788 42.942 1.00 21.95 C ATOM 55 CG GLU A 6 19.142 -5.331 44.104 1.00 25.82 C ATOM 56 CD GLU A 6 19.998 -6.549 43.724 1.00 28.63 C ATOM 57 OE1 GLU A 6 19.908 -7.022 42.560 1.00 33.13 O ATOM 58 OE2 GLU A 6 20.752 -7.038 44.609 1.00 38.37 O ATOM 0 H GLU A 6 16.212 -5.252 44.198 1.00 19.92 H new ATOM 0 HA GLU A 6 17.691 -3.158 44.030 1.00 21.39 H new ATOM 0 HB2 GLU A 6 17.808 -5.527 42.513 1.00 21.95 H new ATOM 0 HB3 GLU A 6 18.839 -4.382 42.272 1.00 21.95 H new ATOM 0 HG2 GLU A 6 19.725 -4.622 44.416 1.00 25.82 H new ATOM 0 HG3 GLU A 6 18.565 -5.571 44.846 1.00 25.82 H new ATOM 59 N LEU A 7 15.734 -3.408 41.547 1.00 19.91 N ATOM 60 CA LEU A 7 15.117 -2.634 40.476 1.00 19.01 C ATOM 61 C LEU A 7 14.430 -1.372 41.040 1.00 18.85 C ATOM 62 O LEU A 7 14.650 -0.278 40.536 1.00 18.90 O ATOM 63 CB LEU A 7 14.147 -3.505 39.680 1.00 18.47 C ATOM 64 CG LEU A 7 13.278 -2.751 38.666 1.00 18.13 C ATOM 65 CD1 LEU A 7 14.119 -1.955 37.616 1.00 21.77 C ATOM 66 CD2 LEU A 7 12.370 -3.742 37.978 1.00 17.88 C ATOM 0 H LEU A 7 15.408 -4.196 41.658 1.00 19.91 H new ATOM 0 HA LEU A 7 15.810 -2.335 39.866 1.00 19.01 H new ATOM 0 HB2 LEU A 7 14.655 -4.183 39.208 1.00 18.47 H new ATOM 0 HB3 LEU A 7 13.565 -3.969 40.302 1.00 18.47 H new ATOM 0 HG LEU A 7 12.757 -2.090 39.148 1.00 18.13 H new ATOM 0 HD11 LEU A 7 13.522 -1.499 37.002 1.00 21.77 H new ATOM 0 HD12 LEU A 7 14.673 -1.303 38.072 1.00 21.77 H new ATOM 0 HD13 LEU A 7 14.684 -2.569 37.121 1.00 21.77 H new ATOM 0 HD21 LEU A 7 11.814 -3.278 37.333 1.00 17.88 H new ATOM 0 HD22 LEU A 7 12.906 -4.409 37.521 1.00 17.88 H new ATOM 0 HD23 LEU A 7 11.806 -4.176 38.637 1.00 17.88 H new ATOM 67 N MET A 8 13.627 -1.509 42.095 1.00 19.14 N ATOM 68 CA MET A 8 13.033 -0.307 42.708 1.00 20.50 C ATOM 69 C MET A 8 14.088 0.731 43.001 1.00 19.76 C ATOM 70 O MET A 8 13.944 1.896 42.643 1.00 17.86 O ATOM 71 CB MET A 8 12.317 -0.636 44.014 1.00 20.68 C ATOM 72 CG MET A 8 10.984 -1.305 43.816 1.00 21.78 C ATOM 73 SD MET A 8 10.227 -1.562 45.448 1.00 22.35 S ATOM 74 CE MET A 8 8.542 -1.206 44.899 1.00 16.07 C ATOM 0 H MET A 8 13.416 -2.257 42.464 1.00 19.14 H new ATOM 0 HA MET A 8 12.393 0.040 42.066 1.00 20.50 H new ATOM 0 HB2 MET A 8 12.884 -1.213 44.549 1.00 20.68 H new ATOM 0 HB3 MET A 8 12.188 0.182 44.519 1.00 20.68 H new ATOM 0 HG2 MET A 8 10.410 -0.756 43.260 1.00 21.78 H new ATOM 0 HG3 MET A 8 11.096 -2.153 43.358 1.00 21.78 H new ATOM 0 HE1 MET A 8 7.935 -1.272 45.653 1.00 16.07 H new ATOM 0 HE2 MET A 8 8.504 -0.309 44.532 1.00 16.07 H new ATOM 0 HE3 MET A 8 8.282 -1.845 44.218 1.00 16.07 H new ATOM 75 N GLN A 9 15.165 0.296 43.632 1.00 19.33 N ATOM 76 CA GLN A 9 16.230 1.247 43.995 1.00 19.78 C ATOM 77 C GLN A 9 16.915 1.824 42.746 1.00 19.69 C ATOM 78 O GLN A 9 17.297 2.995 42.734 1.00 19.43 O ATOM 79 CB GLN A 9 17.225 0.576 44.936 1.00 20.20 C ATOM 80 CG GLN A 9 18.222 1.547 45.515 1.00 18.89 C ATOM 81 CD GLN A 9 17.578 2.579 46.375 1.00 17.55 C ATOM 82 OE1 GLN A 9 16.878 2.255 47.309 1.00 18.09 O ATOM 83 NE2 GLN A 9 17.807 3.847 46.057 1.00 20.67 N ATOM 0 H GLN A 9 15.307 -0.521 43.859 1.00 19.33 H new ATOM 0 HA GLN A 9 15.833 1.998 44.463 1.00 19.78 H new ATOM 0 HB2 GLN A 9 16.742 0.145 45.658 1.00 20.20 H new ATOM 0 HB3 GLN A 9 17.699 -0.121 44.456 1.00 20.20 H new ATOM 0 HG2 GLN A 9 18.879 1.060 46.036 1.00 18.89 H new ATOM 0 HG3 GLN A 9 18.700 1.984 44.793 1.00 18.89 H new ATOM 0 HE21 GLN A 9 18.310 4.038 45.386 1.00 20.67 H new ATOM 0 HE22 GLN A 9 17.452 4.478 46.522 1.00 20.67 H new ATOM 84 N LYS A 10 17.042 1.021 41.687 1.00 19.02 N ATOM 85 CA LYS A 10 17.641 1.498 40.448 1.00 19.85 C ATOM 86 C LYS A 10 16.789 2.622 39.859 1.00 19.34 C ATOM 87 O LYS A 10 17.305 3.626 39.399 1.00 19.86 O ATOM 88 CB LYS A 10 17.789 0.359 39.416 1.00 20.58 C ATOM 89 CG LYS A 10 18.632 0.699 38.151 1.00 21.21 C ATOM 90 CD LYS A 10 18.645 -0.534 37.168 1.00 23.32 C ATOM 91 CE LYS A 10 19.230 -0.226 35.757 1.00 27.57 C ATOM 92 NZ LYS A 10 18.761 -1.146 34.562 1.00 26.25 N ATOM 0 H LYS A 10 16.787 0.200 41.669 1.00 19.02 H new ATOM 0 HA LYS A 10 18.528 1.833 40.654 1.00 19.85 H new ATOM 0 HB2 LYS A 10 18.192 -0.405 39.857 1.00 20.58 H new ATOM 0 HB3 LYS A 10 16.903 0.086 39.130 1.00 20.58 H new ATOM 0 HG2 LYS A 10 18.260 1.475 37.704 1.00 21.21 H new ATOM 0 HG3 LYS A 10 19.539 0.927 38.409 1.00 21.21 H new ATOM 0 HD2 LYS A 10 19.161 -1.250 37.571 1.00 23.32 H new ATOM 0 HD3 LYS A 10 17.738 -0.862 37.066 1.00 23.32 H new ATOM 0 HE2 LYS A 10 19.009 0.692 35.534 1.00 27.57 H new ATOM 0 HE3 LYS A 10 20.197 -0.279 35.815 1.00 27.57 H new ATOM 0 HZ1 LYS A 10 19.473 -1.495 34.159 1.00 26.25 H new ATOM 0 HZ2 LYS A 10 18.247 -1.802 34.876 1.00 26.25 H new ATOM 0 HZ3 LYS A 10 18.298 -0.660 33.977 1.00 26.25 H new ATOM 93 N VAL A 11 15.466 2.462 39.899 1.00 19.50 N ATOM 94 CA VAL A 11 14.585 3.487 39.362 1.00 19.70 C ATOM 95 C VAL A 11 14.719 4.780 40.193 1.00 20.25 C ATOM 96 O VAL A 11 14.803 5.863 39.620 1.00 20.17 O ATOM 97 CB VAL A 11 13.107 3.009 39.268 1.00 19.38 C ATOM 98 CG1 VAL A 11 12.214 4.157 38.791 1.00 20.08 C ATOM 99 CG2 VAL A 11 12.984 1.805 38.340 1.00 18.62 C ATOM 0 H VAL A 11 15.067 1.776 40.229 1.00 19.50 H new ATOM 0 HA VAL A 11 14.861 3.674 38.451 1.00 19.70 H new ATOM 0 HB VAL A 11 12.814 2.734 40.151 1.00 19.38 H new ATOM 0 HG11 VAL A 11 11.295 3.851 38.735 1.00 20.08 H new ATOM 0 HG12 VAL A 11 12.271 4.894 39.419 1.00 20.08 H new ATOM 0 HG13 VAL A 11 12.509 4.455 37.916 1.00 20.08 H new ATOM 0 HG21 VAL A 11 12.057 1.524 38.296 1.00 18.62 H new ATOM 0 HG22 VAL A 11 13.291 2.048 37.452 1.00 18.62 H new ATOM 0 HG23 VAL A 11 13.526 1.077 38.681 1.00 18.62 H new ATOM 100 N LEU A 12 14.807 4.659 41.526 1.00 19.00 N ATOM 101 CA LEU A 12 15.036 5.837 42.391 1.00 19.33 C ATOM 102 C LEU A 12 16.349 6.550 42.066 1.00 19.93 C ATOM 103 O LEU A 12 16.381 7.776 41.984 1.00 19.46 O ATOM 104 CB LEU A 12 15.062 5.434 43.890 1.00 18.09 C ATOM 105 CG LEU A 12 13.690 4.935 44.410 1.00 19.52 C ATOM 106 CD1 LEU A 12 13.805 4.489 45.872 1.00 16.82 C ATOM 107 CD2 LEU A 12 12.590 6.027 44.250 1.00 18.50 C ATOM 0 H LEU A 12 14.738 3.913 41.948 1.00 19.00 H new ATOM 0 HA LEU A 12 14.297 6.441 42.218 1.00 19.33 H new ATOM 0 HB2 LEU A 12 15.724 4.737 44.020 1.00 18.09 H new ATOM 0 HB3 LEU A 12 15.345 6.196 44.419 1.00 18.09 H new ATOM 0 HG LEU A 12 13.425 4.172 43.873 1.00 19.52 H new ATOM 0 HD11 LEU A 12 12.941 4.179 46.185 1.00 16.82 H new ATOM 0 HD12 LEU A 12 14.451 3.768 45.941 1.00 16.82 H new ATOM 0 HD13 LEU A 12 14.097 5.237 46.417 1.00 16.82 H new ATOM 0 HD21 LEU A 12 11.745 5.687 44.583 1.00 18.50 H new ATOM 0 HD22 LEU A 12 12.842 6.816 44.755 1.00 18.50 H new ATOM 0 HD23 LEU A 12 12.498 6.259 43.313 1.00 18.50 H new ATOM 108 N ASP A 13 17.403 5.757 41.887 1.00 19.70 N ATOM 109 CA ASP A 13 18.755 6.253 41.591 1.00 21.78 C ATOM 110 C ASP A 13 18.932 6.887 40.205 1.00 22.77 C ATOM 111 O ASP A 13 19.607 7.909 40.061 1.00 22.67 O ATOM 112 CB ASP A 13 19.738 5.087 41.719 1.00 22.24 C ATOM 113 CG ASP A 13 19.917 4.629 43.167 1.00 24.59 C ATOM 114 OD1 ASP A 13 19.450 5.315 44.070 1.00 24.98 O ATOM 115 OD2 ASP A 13 20.537 3.569 43.391 1.00 28.40 O ATOM 0 H ASP A 13 17.356 4.900 41.934 1.00 19.70 H new ATOM 0 HA ASP A 13 18.923 6.963 42.231 1.00 21.78 H new ATOM 0 HB2 ASP A 13 19.423 4.342 41.184 1.00 22.24 H new ATOM 0 HB3 ASP A 13 20.598 5.352 41.358 1.00 22.24 H new ATOM 116 N GLU A 14 18.330 6.265 39.189 1.00 22.43 N ATOM 117 CA GLU A 14 18.671 6.549 37.793 1.00 23.77 C ATOM 118 C GLU A 14 17.453 7.075 37.052 1.00 23.67 C ATOM 119 O GLU A 14 17.580 7.567 35.929 1.00 24.11 O ATOM 120 CB GLU A 14 19.183 5.279 37.083 1.00 23.82 C ATOM 121 CG GLU A 14 20.222 4.445 37.853 1.00 30.82 C ATOM 122 CD GLU A 14 21.488 5.235 38.124 1.00 36.35 C ATOM 123 OE1 GLU A 14 21.900 5.978 37.225 1.00 38.34 O ATOM 124 OE2 GLU A 14 22.067 5.143 39.234 1.00 41.04 O ATOM 0 H GLU A 14 17.717 5.671 39.289 1.00 22.43 H new ATOM 0 HA GLU A 14 19.372 7.219 37.788 1.00 23.77 H new ATOM 0 HB2 GLU A 14 18.421 4.711 36.886 1.00 23.82 H new ATOM 0 HB3 GLU A 14 19.570 5.540 36.233 1.00 23.82 H new ATOM 0 HG2 GLU A 14 19.840 4.148 38.694 1.00 30.82 H new ATOM 0 HG3 GLU A 14 20.440 3.649 37.343 1.00 30.82 H new ATOM 125 N GLY A 15 16.270 6.939 37.654 1.00 23.19 N ATOM 126 CA GLY A 15 15.016 7.263 36.967 1.00 23.34 C ATOM 127 C GLY A 15 14.921 8.730 36.601 1.00 24.76 C ATOM 128 O GLY A 15 15.294 9.601 37.406 1.00 23.84 O ATOM 0 H GLY A 15 16.171 6.660 38.462 1.00 23.19 H new ATOM 0 HA2 GLY A 15 14.943 6.726 36.163 1.00 23.34 H new ATOM 0 HA3 GLY A 15 14.267 7.025 37.536 1.00 23.34 H new ATOM 129 N THR A 16 14.413 9.011 35.397 1.00 24.51 N ATOM 130 CA THR A 16 14.177 10.383 35.002 1.00 26.24 C ATOM 131 C THR A 16 12.692 10.667 34.936 1.00 26.87 C ATOM 132 O THR A 16 11.894 9.767 34.690 1.00 25.84 O ATOM 133 CB THR A 16 14.805 10.726 33.634 1.00 27.30 C ATOM 134 OG1 THR A 16 14.204 9.926 32.618 1.00 29.63 O ATOM 135 CG2 THR A 16 16.279 10.468 33.640 1.00 29.93 C ATOM 0 H THR A 16 14.203 8.422 34.807 1.00 24.51 H new ATOM 0 HA THR A 16 14.600 10.936 35.677 1.00 26.24 H new ATOM 0 HB THR A 16 14.651 11.667 33.459 1.00 27.30 H new ATOM 0 HG1 THR A 16 14.760 9.790 32.003 1.00 29.63 H new ATOM 0 HG21 THR A 16 16.650 10.690 32.772 1.00 29.93 H new ATOM 0 HG22 THR A 16 16.701 11.015 34.321 1.00 29.93 H new ATOM 0 HG23 THR A 16 16.443 9.531 33.831 1.00 29.93 H new ATOM 136 N GLN A 17 12.331 11.928 35.138 1.00 27.57 N ATOM 137 CA GLN A 17 10.951 12.341 35.100 1.00 30.19 C ATOM 138 C GLN A 17 10.455 12.243 33.683 1.00 33.11 C ATOM 139 O GLN A 17 11.090 12.728 32.759 1.00 32.45 O ATOM 140 CB GLN A 17 10.789 13.767 35.627 1.00 29.82 C ATOM 141 CG GLN A 17 10.744 13.799 37.125 1.00 28.79 C ATOM 142 CD GLN A 17 10.640 15.200 37.732 1.00 31.00 C ATOM 143 OE1 GLN A 17 9.974 16.117 37.045 1.00 31.34 O flip ATOM 144 NE2 GLN A 17 11.139 15.429 38.821 1.00 30.69 N flip ATOM 0 H GLN A 17 12.886 12.564 35.301 1.00 27.57 H new ATOM 0 HA GLN A 17 10.428 11.758 35.672 1.00 30.19 H new ATOM 0 HB2 GLN A 17 11.525 14.315 35.313 1.00 29.82 H new ATOM 0 HB3 GLN A 17 9.975 14.154 35.270 1.00 29.82 H new ATOM 0 HG2 GLN A 17 9.986 13.273 37.425 1.00 28.79 H new ATOM 0 HG3 GLN A 17 11.542 13.369 37.470 1.00 28.79 H new ATOM 0 HE21 GLN A 17 11.564 14.809 39.238 1.00 30.69 H new ATOM 0 HE22 GLN A 17 11.066 16.211 39.172 1.00 30.69 H new ATOM 145 N LYS A 18 9.323 11.575 33.535 1.00 36.39 N ATOM 146 CA LYS A 18 8.737 11.345 32.247 1.00 40.55 C ATOM 147 C LYS A 18 7.249 11.420 32.493 1.00 43.58 C ATOM 148 O LYS A 18 6.687 10.629 33.268 1.00 43.41 O ATOM 149 CB LYS A 18 9.126 9.957 31.755 1.00 40.27 C ATOM 150 CG LYS A 18 9.834 9.943 30.442 1.00 40.31 C ATOM 151 CD LYS A 18 10.111 8.513 30.020 1.00 37.15 C ATOM 152 CE LYS A 18 9.872 8.352 28.535 1.00 38.41 C ATOM 153 NZ LYS A 18 8.680 7.522 28.236 1.00 38.69 N ATOM 0 H LYS A 18 8.876 11.243 34.190 1.00 36.39 H new ATOM 0 HA LYS A 18 9.029 11.982 31.576 1.00 40.55 H new ATOM 0 HB2 LYS A 18 9.694 9.538 32.420 1.00 40.27 H new ATOM 0 HB3 LYS A 18 8.325 9.415 31.684 1.00 40.27 H new ATOM 0 HG2 LYS A 18 9.295 10.388 29.770 1.00 40.31 H new ATOM 0 HG3 LYS A 18 10.667 10.436 30.509 1.00 40.31 H new ATOM 0 HD2 LYS A 18 11.027 8.277 30.235 1.00 37.15 H new ATOM 0 HD3 LYS A 18 9.538 7.906 30.514 1.00 37.15 H new ATOM 0 HE2 LYS A 18 9.762 9.227 28.132 1.00 38.41 H new ATOM 0 HE3 LYS A 18 10.654 7.948 28.127 1.00 38.41 H new ATOM 0 HZ1 LYS A 18 8.644 7.358 27.362 1.00 38.69 H new ATOM 0 HZ2 LYS A 18 8.735 6.753 28.680 1.00 38.69 H new ATOM 0 HZ3 LYS A 18 7.945 7.957 28.486 1.00 38.69 H new ATOM 154 N ASN A 19 6.618 12.406 31.864 1.00 47.49 N ATOM 155 CA ASN A 19 5.198 12.587 32.038 1.00 51.12 C ATOM 156 C ASN A 19 4.437 11.482 31.325 1.00 53.23 C ATOM 157 O ASN A 19 5.037 10.506 30.847 1.00 53.80 O ATOM 158 CB ASN A 19 4.762 13.972 31.577 1.00 51.38 C ATOM 159 CG ASN A 19 3.557 14.468 32.338 1.00 53.33 C ATOM 160 OD1 ASN A 19 3.573 14.539 33.570 1.00 54.79 O ATOM 161 ND2 ASN A 19 2.491 14.791 31.611 1.00 54.89 N ATOM 0 H ASN A 19 6.996 12.972 31.338 1.00 47.49 H new ATOM 0 HA ASN A 19 4.989 12.527 32.983 1.00 51.12 H new ATOM 0 HB2 ASN A 19 5.496 14.596 31.692 1.00 51.38 H new ATOM 0 HB3 ASN A 19 4.557 13.947 30.629 1.00 51.38 H new ATOM 0 HD21 ASN A 19 1.773 15.063 31.998 1.00 54.89 H new ATOM 0 HD22 ASN A 19 2.520 14.728 30.754 1.00 54.89 H new ATOM 162 N ASP A 20 3.118 11.628 31.267 1.00 55.92 N ATOM 163 CA ASP A 20 2.251 10.572 30.758 1.00 58.23 C ATOM 164 C ASP A 20 0.863 11.086 30.359 1.00 59.30 C ATOM 165 O ASP A 20 0.538 12.272 30.537 1.00 59.80 O ATOM 166 CB ASP A 20 2.114 9.480 31.821 1.00 58.55 C ATOM 167 CG ASP A 20 1.874 10.057 33.197 1.00 59.86 C ATOM 168 OD1 ASP A 20 0.735 10.508 33.475 1.00 61.24 O ATOM 169 OD2 ASP A 20 2.839 10.077 33.992 1.00 61.70 O ATOM 0 H ASP A 20 2.702 12.337 31.520 1.00 55.92 H new ATOM 0 HA ASP A 20 2.662 10.217 29.954 1.00 58.23 H new ATOM 0 HB2 ASP A 20 1.380 8.891 31.586 1.00 58.55 H new ATOM 0 HB3 ASP A 20 2.919 8.939 31.834 1.00 58.55 H new ATOM 170 N ARG A 21 0.063 10.158 29.831 1.00 60.24 N ATOM 171 CA ARG A 21 -1.325 10.351 29.408 1.00 60.82 C ATOM 172 C ARG A 21 -2.205 11.011 30.466 1.00 60.65 C ATOM 173 O ARG A 21 -3.058 11.849 30.148 1.00 60.90 O ATOM 174 CB ARG A 21 -1.922 8.991 28.996 1.00 61.40 C ATOM 175 CG ARG A 21 -1.415 7.774 29.823 1.00 63.53 C ATOM 176 CD ARG A 21 -0.172 7.053 29.200 1.00 66.90 C ATOM 177 NE ARG A 21 0.912 7.968 28.806 1.00 68.97 N ATOM 178 CZ ARG A 21 2.159 7.610 28.490 1.00 69.87 C ATOM 179 NH1 ARG A 21 2.524 6.338 28.515 1.00 70.30 N ATOM 180 NH2 ARG A 21 3.054 8.532 28.150 1.00 69.28 N ATOM 0 H ARG A 21 0.333 9.351 29.703 1.00 60.24 H new ATOM 0 HA ARG A 21 -1.308 10.963 28.656 1.00 60.82 H new ATOM 0 HB2 ARG A 21 -2.888 9.039 29.075 1.00 61.40 H new ATOM 0 HB3 ARG A 21 -1.722 8.835 28.060 1.00 61.40 H new ATOM 0 HG2 ARG A 21 -1.188 8.074 30.717 1.00 63.53 H new ATOM 0 HG3 ARG A 21 -2.137 7.133 29.914 1.00 63.53 H new ATOM 0 HD2 ARG A 21 0.174 6.412 29.841 1.00 66.90 H new ATOM 0 HD3 ARG A 21 -0.458 6.550 28.422 1.00 66.90 H new ATOM 0 HE ARG A 21 0.726 8.807 28.777 1.00 68.97 H new ATOM 0 HH11 ARG A 21 1.956 5.732 28.736 1.00 70.30 H new ATOM 0 HH12 ARG A 21 3.330 6.118 28.310 1.00 70.30 H new ATOM 0 HH21 ARG A 21 2.831 9.362 28.133 1.00 69.28 H new ATOM 0 HH22 ARG A 21 3.856 8.298 27.947 1.00 69.28 H new ATOM 181 N THR A 22 -1.989 10.640 31.724 1.00 60.35 N ATOM 182 CA THR A 22 -2.805 11.152 32.820 1.00 59.77 C ATOM 183 C THR A 22 -2.215 12.404 33.504 1.00 58.85 C ATOM 184 O THR A 22 -2.955 13.194 34.093 1.00 59.13 O ATOM 185 CB THR A 22 -3.175 10.017 33.845 1.00 60.01 C ATOM 186 OG1 THR A 22 -4.086 10.522 34.832 1.00 61.16 O ATOM 187 CG2 THR A 22 -1.934 9.426 34.532 1.00 59.82 C ATOM 0 H THR A 22 -1.373 10.091 31.965 1.00 60.35 H new ATOM 0 HA THR A 22 -3.633 11.458 32.418 1.00 59.77 H new ATOM 0 HB THR A 22 -3.598 9.303 33.343 1.00 60.01 H new ATOM 0 HG1 THR A 22 -4.279 9.910 35.374 1.00 61.16 H new ATOM 0 HG21 THR A 22 -2.207 8.733 35.153 1.00 59.82 H new ATOM 0 HG22 THR A 22 -1.344 9.046 33.863 1.00 59.82 H new ATOM 0 HG23 THR A 22 -1.467 10.126 35.014 1.00 59.82 H new ATOM 188 N GLY A 23 -0.899 12.591 33.410 1.00 57.45 N ATOM 189 CA GLY A 23 -0.231 13.720 34.072 1.00 55.52 C ATOM 190 C GLY A 23 0.098 13.507 35.552 1.00 53.99 C ATOM 191 O GLY A 23 0.152 14.474 36.345 1.00 54.36 O ATOM 0 H GLY A 23 -0.371 12.076 32.967 1.00 57.45 H new ATOM 0 HA2 GLY A 23 0.592 13.913 33.597 1.00 55.52 H new ATOM 0 HA3 GLY A 23 -0.796 14.504 33.991 1.00 55.52 H new ATOM 192 N THR A 24 0.327 12.247 35.926 1.00 51.79 N ATOM 193 CA THR A 24 0.762 11.895 37.286 1.00 49.21 C ATOM 194 C THR A 24 2.281 11.945 37.408 1.00 46.42 C ATOM 195 O THR A 24 2.815 12.212 38.492 1.00 47.39 O ATOM 196 CB THR A 24 0.289 10.473 37.686 1.00 49.55 C ATOM 197 OG1 THR A 24 -1.127 10.370 37.485 1.00 50.85 O ATOM 198 CG2 THR A 24 0.651 10.150 39.158 1.00 50.01 C ATOM 0 H THR A 24 0.236 11.572 35.402 1.00 51.79 H new ATOM 0 HA THR A 24 0.361 12.548 37.881 1.00 49.21 H new ATOM 0 HB THR A 24 0.745 9.826 37.125 1.00 49.55 H new ATOM 0 HG1 THR A 24 -1.385 9.600 37.700 1.00 50.85 H new ATOM 0 HG21 THR A 24 0.343 9.257 39.379 1.00 50.01 H new ATOM 0 HG22 THR A 24 1.613 10.198 39.273 1.00 50.01 H new ATOM 0 HG23 THR A 24 0.223 10.793 39.745 1.00 50.01 H new ATOM 199 N GLY A 25 2.959 11.652 36.305 1.00 42.31 N ATOM 200 CA GLY A 25 4.407 11.575 36.274 1.00 36.82 C ATOM 201 C GLY A 25 4.951 10.254 36.800 1.00 33.17 C ATOM 202 O GLY A 25 4.411 9.638 37.716 1.00 31.20 O ATOM 0 H GLY A 25 2.585 11.491 35.548 1.00 42.31 H new ATOM 0 HA2 GLY A 25 4.712 11.703 35.362 1.00 36.82 H new ATOM 0 HA3 GLY A 25 4.775 12.302 36.801 1.00 36.82 H new ATOM 203 N THR A 26 6.046 9.837 36.193 1.00 30.51 N ATOM 204 CA THR A 26 6.781 8.665 36.609 1.00 28.49 C ATOM 205 C THR A 26 8.256 9.053 36.756 1.00 27.55 C ATOM 206 O THR A 26 8.705 10.093 36.244 1.00 26.59 O ATOM 207 CB THR A 26 6.682 7.519 35.565 1.00 28.89 C ATOM 208 OG1 THR A 26 7.339 7.908 34.340 1.00 31.39 O ATOM 209 CG2 THR A 26 5.233 7.139 35.269 1.00 26.96 C ATOM 0 H THR A 26 6.389 10.237 35.513 1.00 30.51 H new ATOM 0 HA THR A 26 6.404 8.349 37.445 1.00 28.49 H new ATOM 0 HB THR A 26 7.122 6.742 35.944 1.00 28.89 H new ATOM 0 HG1 THR A 26 7.092 8.681 34.122 1.00 31.39 H new ATOM 0 HG21 THR A 26 5.213 6.423 34.615 1.00 26.96 H new ATOM 0 HG22 THR A 26 4.803 6.842 36.086 1.00 26.96 H new ATOM 0 HG23 THR A 26 4.761 7.910 34.918 1.00 26.96 H new ATOM 210 N LEU A 27 8.987 8.208 37.468 1.00 25.13 N ATOM 211 CA LEU A 27 10.434 8.148 37.389 1.00 24.33 C ATOM 212 C LEU A 27 10.671 6.918 36.553 1.00 24.01 C ATOM 213 O LEU A 27 10.194 5.839 36.917 1.00 24.10 O ATOM 214 CB LEU A 27 11.054 7.919 38.765 1.00 24.77 C ATOM 215 CG LEU A 27 10.996 9.052 39.795 1.00 25.75 C ATOM 216 CD1 LEU A 27 11.510 8.537 41.125 1.00 26.85 C ATOM 217 CD2 LEU A 27 11.851 10.228 39.258 1.00 24.14 C ATOM 0 H LEU A 27 8.648 7.643 38.021 1.00 25.13 H new ATOM 0 HA LEU A 27 10.818 8.966 37.035 1.00 24.33 H new ATOM 0 HB2 LEU A 27 10.623 7.143 39.156 1.00 24.77 H new ATOM 0 HB3 LEU A 27 11.987 7.689 38.633 1.00 24.77 H new ATOM 0 HG LEU A 27 10.088 9.365 39.933 1.00 25.75 H new ATOM 0 HD11 LEU A 27 11.476 9.249 41.783 1.00 26.85 H new ATOM 0 HD12 LEU A 27 10.957 7.797 41.421 1.00 26.85 H new ATOM 0 HD13 LEU A 27 12.426 8.235 41.023 1.00 26.85 H new ATOM 0 HD21 LEU A 27 11.830 10.960 39.894 1.00 24.14 H new ATOM 0 HD22 LEU A 27 12.767 9.933 39.135 1.00 24.14 H new ATOM 0 HD23 LEU A 27 11.492 10.528 38.408 1.00 24.14 H new ATOM 218 N SER A 28 11.404 7.084 35.456 1.00 22.73 N ATOM 219 CA SER A 28 11.523 6.053 34.421 1.00 21.04 C ATOM 220 C SER A 28 12.980 5.753 34.026 1.00 20.37 C ATOM 221 O SER A 28 13.827 6.658 33.931 1.00 18.81 O ATOM 222 CB SER A 28 10.740 6.512 33.192 1.00 21.79 C ATOM 223 OG SER A 28 11.111 5.808 32.030 1.00 22.17 O ATOM 0 H SER A 28 11.849 7.800 35.288 1.00 22.73 H new ATOM 0 HA SER A 28 11.163 5.228 34.783 1.00 21.04 H new ATOM 0 HB2 SER A 28 9.791 6.391 33.352 1.00 21.79 H new ATOM 0 HB3 SER A 28 10.886 7.461 33.054 1.00 21.79 H new ATOM 0 HG SER A 28 10.504 5.264 31.826 1.00 22.17 H new ATOM 224 N ILE A 29 13.253 4.469 33.798 1.00 19.62 N ATOM 225 CA ILE A 29 14.480 4.041 33.165 1.00 18.68 C ATOM 226 C ILE A 29 14.086 3.222 31.945 1.00 18.49 C ATOM 227 O ILE A 29 12.938 2.831 31.802 1.00 18.86 O ATOM 228 CB ILE A 29 15.360 3.196 34.105 1.00 18.79 C ATOM 229 CG1 ILE A 29 14.682 1.854 34.448 1.00 17.67 C ATOM 230 CG2 ILE A 29 15.823 4.033 35.340 1.00 19.46 C ATOM 231 CD1 ILE A 29 15.586 0.854 35.158 1.00 19.85 C ATOM 0 H ILE A 29 12.724 3.825 34.010 1.00 19.62 H new ATOM 0 HA ILE A 29 15.007 4.818 32.923 1.00 18.68 H new ATOM 0 HB ILE A 29 16.178 2.951 33.644 1.00 18.79 H new ATOM 0 HG12 ILE A 29 13.909 2.029 35.008 1.00 17.67 H new ATOM 0 HG13 ILE A 29 14.354 1.451 33.629 1.00 17.67 H new ATOM 0 HG21 ILE A 29 16.375 3.481 35.917 1.00 19.46 H new ATOM 0 HG22 ILE A 29 16.336 4.799 35.038 1.00 19.46 H new ATOM 0 HG23 ILE A 29 15.046 4.339 35.833 1.00 19.46 H new ATOM 0 HD11 ILE A 29 15.090 0.040 35.339 1.00 19.85 H new ATOM 0 HD12 ILE A 29 16.348 0.649 34.594 1.00 19.85 H new ATOM 0 HD13 ILE A 29 15.896 1.235 35.994 1.00 19.85 H new ATOM 232 N PHE A 30 15.037 2.998 31.053 1.00 17.15 N ATOM 233 CA PHE A 30 14.747 2.200 29.859 1.00 17.49 C ATOM 234 C PHE A 30 15.710 1.035 29.767 1.00 17.81 C ATOM 235 O PHE A 30 16.933 1.219 29.672 1.00 18.07 O ATOM 236 CB PHE A 30 14.812 3.091 28.618 1.00 17.47 C ATOM 237 CG PHE A 30 14.445 2.376 27.346 1.00 18.18 C ATOM 238 CD1 PHE A 30 13.133 1.872 27.144 1.00 18.02 C ATOM 239 CD2 PHE A 30 15.397 2.187 26.361 1.00 17.52 C ATOM 240 CE1 PHE A 30 12.782 1.212 25.947 1.00 17.80 C ATOM 241 CE2 PHE A 30 15.081 1.524 25.174 1.00 18.17 C ATOM 242 CZ PHE A 30 13.756 1.042 24.958 1.00 17.02 C ATOM 0 H PHE A 30 15.844 3.290 31.112 1.00 17.15 H new ATOM 0 HA PHE A 30 13.851 1.834 29.918 1.00 17.49 H new ATOM 0 HB2 PHE A 30 14.216 3.847 28.739 1.00 17.47 H new ATOM 0 HB3 PHE A 30 15.710 3.449 28.532 1.00 17.47 H new ATOM 0 HD1 PHE A 30 12.494 1.979 27.812 1.00 18.02 H new ATOM 0 HD2 PHE A 30 16.261 2.506 26.491 1.00 17.52 H new ATOM 0 HE1 PHE A 30 11.917 0.895 25.818 1.00 17.80 H new ATOM 0 HE2 PHE A 30 15.734 1.397 24.524 1.00 18.17 H new ATOM 0 HZ PHE A 30 13.540 0.615 24.160 1.00 17.02 H new ATOM 243 N GLY A 31 15.170 -0.179 29.791 1.00 17.72 N ATOM 244 CA GLY A 31 15.989 -1.359 29.588 1.00 17.60 C ATOM 245 C GLY A 31 16.441 -1.897 30.921 1.00 18.03 C ATOM 246 O GLY A 31 17.193 -1.236 31.656 1.00 16.77 O ATOM 0 H GLY A 31 14.335 -0.337 29.923 1.00 17.72 H new ATOM 0 HA2 GLY A 31 15.484 -2.036 29.110 1.00 17.60 H new ATOM 0 HA3 GLY A 31 16.759 -1.139 29.040 1.00 17.60 H new ATOM 247 N HIS A 32 15.939 -3.072 31.270 1.00 17.91 N ATOM 248 CA HIS A 32 16.333 -3.719 32.511 1.00 17.47 C ATOM 249 C HIS A 32 16.127 -5.212 32.313 1.00 18.04 C ATOM 250 O HIS A 32 15.325 -5.599 31.497 1.00 17.11 O ATOM 251 CB HIS A 32 15.506 -3.244 33.710 1.00 17.36 C ATOM 252 CG HIS A 32 16.130 -3.636 35.029 1.00 19.53 C ATOM 253 ND1 HIS A 32 17.237 -3.010 35.555 1.00 24.15 N ATOM 254 CD2 HIS A 32 15.746 -4.550 35.951 1.00 19.41 C ATOM 255 CE1 HIS A 32 17.534 -3.540 36.734 1.00 21.59 C ATOM 256 NE2 HIS A 32 16.642 -4.478 37.000 1.00 24.05 N ATOM 0 H HIS A 32 15.368 -3.512 30.801 1.00 17.91 H new ATOM 0 HA HIS A 32 17.257 -3.497 32.707 1.00 17.47 H new ATOM 0 HB2 HIS A 32 15.412 -2.279 33.673 1.00 17.36 H new ATOM 0 HB3 HIS A 32 14.613 -3.619 33.653 1.00 17.36 H new ATOM 0 HD2 HIS A 32 15.014 -5.121 35.890 1.00 19.41 H new ATOM 0 HE1 HIS A 32 18.246 -3.294 37.279 1.00 21.59 H new ATOM 0 HE2 HIS A 32 16.622 -4.964 37.709 1.00 24.05 H new ATOM 257 N GLN A 33 16.893 -6.057 33.005 1.00 16.84 N ATOM 258 CA GLN A 33 16.611 -7.483 32.893 1.00 16.96 C ATOM 259 C GLN A 33 16.871 -8.139 34.243 1.00 17.46 C ATOM 260 O GLN A 33 17.788 -7.732 34.932 1.00 17.57 O ATOM 261 CB GLN A 33 17.480 -8.095 31.806 1.00 15.48 C ATOM 262 CG GLN A 33 17.273 -9.587 31.550 1.00 16.29 C ATOM 263 CD GLN A 33 18.051 -10.006 30.356 1.00 18.54 C ATOM 264 OE1 GLN A 33 19.265 -10.437 30.587 1.00 21.90 O flip ATOM 265 NE2 GLN A 33 17.584 -9.912 29.210 1.00 12.31 N flip ATOM 0 H GLN A 33 17.547 -5.839 33.519 1.00 16.84 H new ATOM 0 HA GLN A 33 15.684 -7.627 32.647 1.00 16.96 H new ATOM 0 HB2 GLN A 33 17.318 -7.617 30.978 1.00 15.48 H new ATOM 0 HB3 GLN A 33 18.410 -7.950 32.039 1.00 15.48 H new ATOM 0 HG2 GLN A 33 17.554 -10.099 32.325 1.00 16.29 H new ATOM 0 HG3 GLN A 33 16.331 -9.773 31.414 1.00 16.29 H new ATOM 0 HE21 GLN A 33 16.782 -9.625 29.095 1.00 12.31 H new ATOM 0 HE22 GLN A 33 18.063 -10.134 28.531 1.00 12.31 H new ATOM 266 N MET A 34 16.019 -9.096 34.606 1.00 17.21 N ATOM 267 CA MET A 34 16.159 -9.884 35.816 1.00 19.33 C ATOM 268 C MET A 34 16.046 -11.365 35.476 1.00 17.21 C ATOM 269 O MET A 34 15.302 -11.767 34.582 1.00 18.11 O ATOM 270 CB MET A 34 15.036 -9.521 36.794 1.00 17.13 C ATOM 271 CG MET A 34 15.150 -8.108 37.302 1.00 23.19 C ATOM 272 SD MET A 34 13.868 -7.611 38.424 1.00 23.10 S ATOM 273 CE MET A 34 12.284 -7.845 37.548 1.00 24.82 C ATOM 0 H MET A 34 15.328 -9.306 34.140 1.00 17.21 H new ATOM 0 HA MET A 34 17.023 -9.700 36.217 1.00 19.33 H new ATOM 0 HB2 MET A 34 14.179 -9.636 36.355 1.00 17.13 H new ATOM 0 HB3 MET A 34 15.054 -10.134 37.545 1.00 17.13 H new ATOM 0 HG2 MET A 34 16.007 -8.006 37.745 1.00 23.19 H new ATOM 0 HG3 MET A 34 15.149 -7.504 36.543 1.00 23.19 H new ATOM 0 HE1 MET A 34 11.549 -7.706 38.165 1.00 24.82 H new ATOM 0 HE2 MET A 34 12.219 -7.207 36.820 1.00 24.82 H new ATOM 0 HE3 MET A 34 12.241 -8.746 37.192 1.00 24.82 H new ATOM 274 N ARG A 35 16.740 -12.191 36.221 1.00 17.57 N ATOM 275 CA ARG A 35 16.617 -13.637 36.005 1.00 18.54 C ATOM 276 C ARG A 35 16.168 -14.318 37.313 1.00 18.47 C ATOM 277 O ARG A 35 16.767 -14.105 38.361 1.00 18.36 O ATOM 278 CB ARG A 35 17.955 -14.232 35.568 1.00 18.56 C ATOM 279 CG ARG A 35 17.951 -15.774 35.355 1.00 18.74 C ATOM 280 CD ARG A 35 19.293 -16.258 34.817 1.00 20.25 C ATOM 281 NE ARG A 35 19.685 -15.473 33.670 1.00 21.11 N ATOM 282 CZ ARG A 35 19.492 -15.846 32.400 1.00 22.98 C ATOM 283 NH1 ARG A 35 19.020 -17.039 32.102 1.00 21.00 N ATOM 284 NH2 ARG A 35 19.851 -15.042 31.431 1.00 25.04 N ATOM 0 H ARG A 35 17.280 -11.956 36.847 1.00 17.57 H new ATOM 0 HA ARG A 35 15.960 -13.789 35.307 1.00 18.54 H new ATOM 0 HB2 ARG A 35 18.229 -13.806 34.741 1.00 18.56 H new ATOM 0 HB3 ARG A 35 18.624 -14.013 36.235 1.00 18.56 H new ATOM 0 HG2 ARG A 35 17.757 -16.219 36.195 1.00 18.74 H new ATOM 0 HG3 ARG A 35 17.245 -16.016 34.736 1.00 18.74 H new ATOM 0 HD2 ARG A 35 19.969 -16.191 35.509 1.00 20.25 H new ATOM 0 HD3 ARG A 35 19.231 -17.194 34.570 1.00 20.25 H new ATOM 0 HE ARG A 35 20.068 -14.716 33.813 1.00 21.11 H new ATOM 0 HH11 ARG A 35 18.830 -17.595 32.730 1.00 21.00 H new ATOM 0 HH12 ARG A 35 18.902 -17.262 31.280 1.00 21.00 H new ATOM 0 HH21 ARG A 35 20.208 -14.281 31.614 1.00 25.04 H new ATOM 0 HH22 ARG A 35 19.730 -15.275 30.612 1.00 25.04 H new ATOM 285 N PHE A 36 15.115 -15.121 37.229 1.00 17.97 N ATOM 286 CA PHE A 36 14.587 -15.850 38.376 1.00 18.18 C ATOM 287 C PHE A 36 14.779 -17.330 38.069 1.00 18.50 C ATOM 288 O PHE A 36 14.133 -17.908 37.181 1.00 17.59 O ATOM 289 CB PHE A 36 13.099 -15.507 38.604 1.00 18.21 C ATOM 290 CG PHE A 36 12.843 -14.034 38.814 1.00 18.72 C ATOM 291 CD1 PHE A 36 12.975 -13.450 40.085 1.00 19.39 C ATOM 292 CD2 PHE A 36 12.521 -13.202 37.729 1.00 20.42 C ATOM 293 CE1 PHE A 36 12.797 -12.078 40.265 1.00 18.52 C ATOM 294 CE2 PHE A 36 12.326 -11.816 37.918 1.00 18.67 C ATOM 295 CZ PHE A 36 12.455 -11.263 39.196 1.00 17.40 C ATOM 0 H PHE A 36 14.683 -15.260 36.499 1.00 17.97 H new ATOM 0 HA PHE A 36 15.050 -15.608 39.193 1.00 18.18 H new ATOM 0 HB2 PHE A 36 12.584 -15.811 37.840 1.00 18.21 H new ATOM 0 HB3 PHE A 36 12.777 -15.997 39.377 1.00 18.21 H new ATOM 0 HD1 PHE A 36 13.184 -13.985 40.816 1.00 19.39 H new ATOM 0 HD2 PHE A 36 12.435 -13.567 36.878 1.00 20.42 H new ATOM 0 HE1 PHE A 36 12.909 -11.706 41.110 1.00 18.52 H new ATOM 0 HE2 PHE A 36 12.112 -11.272 37.194 1.00 18.67 H new ATOM 0 HZ PHE A 36 12.312 -10.354 39.328 1.00 17.40 H new ATOM 296 N ASN A 37 15.692 -17.965 38.795 1.00 18.33 N ATOM 297 CA ASN A 37 15.810 -19.406 38.684 1.00 18.35 C ATOM 298 C ASN A 37 14.621 -20.070 39.403 1.00 18.15 C ATOM 299 O ASN A 37 14.525 -20.100 40.663 1.00 18.74 O ATOM 300 CB ASN A 37 17.149 -19.861 39.272 1.00 18.74 C ATOM 301 CG ASN A 37 17.401 -21.380 39.118 1.00 21.18 C ATOM 302 OD1 ASN A 37 16.403 -22.134 38.751 1.00 28.82 O flip ATOM 303 ND2 ASN A 37 18.530 -21.845 39.339 1.00 15.35 N flip ATOM 0 H ASN A 37 16.238 -17.589 39.343 1.00 18.33 H new ATOM 0 HA ASN A 37 15.789 -19.673 37.752 1.00 18.35 H new ATOM 0 HB2 ASN A 37 17.867 -19.375 38.838 1.00 18.74 H new ATOM 0 HB3 ASN A 37 17.177 -19.629 40.213 1.00 18.74 H new ATOM 0 HD21 ASN A 37 19.170 -21.324 39.580 1.00 15.35 H new ATOM 0 HD22 ASN A 37 18.672 -22.689 39.251 1.00 15.35 H new ATOM 304 N LEU A 38 13.711 -20.641 38.629 1.00 16.60 N ATOM 305 CA LEU A 38 12.452 -21.120 39.208 1.00 18.18 C ATOM 306 C LEU A 38 12.648 -22.322 40.127 1.00 18.75 C ATOM 307 O LEU A 38 11.761 -22.618 40.924 1.00 19.29 O ATOM 308 CB LEU A 38 11.434 -21.454 38.114 1.00 17.01 C ATOM 309 CG LEU A 38 11.075 -20.242 37.249 1.00 18.01 C ATOM 310 CD1 LEU A 38 10.125 -20.651 36.161 1.00 17.20 C ATOM 311 CD2 LEU A 38 10.455 -19.058 38.055 1.00 17.80 C ATOM 0 H LEU A 38 13.794 -20.762 37.782 1.00 16.60 H new ATOM 0 HA LEU A 38 12.107 -20.393 39.750 1.00 18.18 H new ATOM 0 HB2 LEU A 38 11.792 -22.156 37.548 1.00 17.01 H new ATOM 0 HB3 LEU A 38 10.628 -21.804 38.524 1.00 17.01 H new ATOM 0 HG LEU A 38 11.911 -19.922 36.875 1.00 18.01 H new ATOM 0 HD11 LEU A 38 9.903 -19.879 35.618 1.00 17.20 H new ATOM 0 HD12 LEU A 38 10.542 -21.328 35.605 1.00 17.20 H new ATOM 0 HD13 LEU A 38 9.316 -21.012 36.556 1.00 17.20 H new ATOM 0 HD21 LEU A 38 10.252 -18.327 37.451 1.00 17.80 H new ATOM 0 HD22 LEU A 38 9.640 -19.354 38.490 1.00 17.80 H new ATOM 0 HD23 LEU A 38 11.088 -18.757 38.726 1.00 17.80 H new ATOM 312 N GLN A 39 13.807 -22.974 39.992 1.00 20.00 N ATOM 313 CA GLN A 39 14.282 -24.062 40.882 1.00 23.72 C ATOM 314 C GLN A 39 14.530 -23.519 42.301 1.00 23.38 C ATOM 315 O GLN A 39 14.489 -24.281 43.270 1.00 24.06 O ATOM 316 CB GLN A 39 15.592 -24.623 40.318 1.00 24.12 C ATOM 317 CG GLN A 39 15.761 -26.139 40.019 1.00 33.06 C ATOM 318 CD GLN A 39 14.512 -26.866 39.604 1.00 38.00 C ATOM 319 OE1 GLN A 39 13.890 -27.524 40.430 1.00 43.00 O ATOM 320 NE2 GLN A 39 14.149 -26.787 38.322 1.00 39.69 N ATOM 0 H GLN A 39 14.362 -22.794 39.360 1.00 20.00 H new ATOM 0 HA GLN A 39 13.609 -24.759 40.927 1.00 23.72 H new ATOM 0 HB2 GLN A 39 15.768 -24.150 39.489 1.00 24.12 H new ATOM 0 HB3 GLN A 39 16.295 -24.378 40.940 1.00 24.12 H new ATOM 0 HG2 GLN A 39 16.423 -26.241 39.318 1.00 33.06 H new ATOM 0 HG3 GLN A 39 16.118 -26.570 40.811 1.00 33.06 H new ATOM 0 HE21 GLN A 39 14.612 -26.314 37.772 1.00 39.69 H new ATOM 0 HE22 GLN A 39 13.452 -27.209 38.046 1.00 39.69 H new ATOM 321 N ASP A 40 14.796 -22.230 42.436 1.00 23.79 N ATOM 322 CA ASP A 40 15.076 -21.643 43.754 1.00 25.24 C ATOM 323 C ASP A 40 13.797 -21.380 44.530 1.00 25.77 C ATOM 324 O ASP A 40 13.789 -21.349 45.759 1.00 27.00 O ATOM 325 CB ASP A 40 15.824 -20.333 43.612 1.00 25.63 C ATOM 326 CG ASP A 40 17.245 -20.522 43.154 1.00 26.65 C ATOM 327 OD1 ASP A 40 17.778 -21.630 43.316 1.00 26.83 O ATOM 328 OD2 ASP A 40 17.825 -19.557 42.623 1.00 28.70 O ATOM 0 H ASP A 40 14.821 -21.671 41.783 1.00 23.79 H new ATOM 0 HA ASP A 40 15.619 -22.286 44.237 1.00 25.24 H new ATOM 0 HB2 ASP A 40 15.357 -19.765 42.979 1.00 25.63 H new ATOM 0 HB3 ASP A 40 15.822 -19.870 44.464 1.00 25.63 H new ATOM 329 N GLY A 41 12.714 -21.167 43.792 1.00 24.22 N ATOM 330 CA GLY A 41 11.431 -20.895 44.391 1.00 22.52 C ATOM 331 C GLY A 41 10.567 -20.102 43.441 1.00 21.53 C ATOM 332 O GLY A 41 11.032 -19.613 42.401 1.00 19.45 O ATOM 0 H GLY A 41 12.709 -21.178 42.932 1.00 24.22 H new ATOM 0 HA2 GLY A 41 10.991 -21.728 44.620 1.00 22.52 H new ATOM 0 HA3 GLY A 41 11.551 -20.402 45.217 1.00 22.52 H new ATOM 333 N PHE A 42 9.299 -19.973 43.802 1.00 20.77 N ATOM 334 CA PHE A 42 8.369 -19.279 42.927 1.00 20.00 C ATOM 335 C PHE A 42 8.516 -17.770 43.157 1.00 19.88 C ATOM 336 O PHE A 42 8.498 -17.314 44.297 1.00 19.63 O ATOM 337 CB PHE A 42 6.939 -19.741 43.183 1.00 20.01 C ATOM 338 CG PHE A 42 5.972 -19.183 42.200 1.00 18.41 C ATOM 339 CD1 PHE A 42 5.824 -19.783 40.947 1.00 20.91 C ATOM 340 CD2 PHE A 42 5.263 -18.040 42.501 1.00 18.69 C ATOM 341 CE1 PHE A 42 4.950 -19.246 40.019 1.00 19.72 C ATOM 342 CE2 PHE A 42 4.387 -17.507 41.602 1.00 20.29 C ATOM 343 CZ PHE A 42 4.238 -18.105 40.352 1.00 18.63 C ATOM 0 H PHE A 42 8.962 -20.273 44.534 1.00 20.77 H new ATOM 0 HA PHE A 42 8.573 -19.484 42.001 1.00 20.00 H new ATOM 0 HB2 PHE A 42 6.905 -20.710 43.150 1.00 20.01 H new ATOM 0 HB3 PHE A 42 6.673 -19.478 44.078 1.00 20.01 H new ATOM 0 HD1 PHE A 42 6.314 -20.545 40.736 1.00 20.91 H new ATOM 0 HD2 PHE A 42 5.383 -17.628 43.326 1.00 18.69 H new ATOM 0 HE1 PHE A 42 4.842 -19.644 39.186 1.00 19.72 H new ATOM 0 HE2 PHE A 42 3.893 -16.750 41.821 1.00 20.29 H new ATOM 0 HZ PHE A 42 3.652 -17.733 39.733 1.00 18.63 H new ATOM 344 N PRO A 43 8.750 -16.998 42.093 1.00 19.22 N ATOM 345 CA PRO A 43 9.083 -15.591 42.312 1.00 19.56 C ATOM 346 C PRO A 43 7.889 -14.682 42.602 1.00 18.79 C ATOM 347 O PRO A 43 7.550 -13.795 41.800 1.00 18.54 O ATOM 348 CB PRO A 43 9.806 -15.209 41.017 1.00 19.57 C ATOM 349 CG PRO A 43 9.078 -16.051 39.957 1.00 18.87 C ATOM 350 CD PRO A 43 8.788 -17.372 40.661 1.00 19.56 C ATOM 0 HA PRO A 43 9.617 -15.474 43.113 1.00 19.56 H new ATOM 0 HB2 PRO A 43 9.736 -14.259 40.832 1.00 19.57 H new ATOM 0 HB3 PRO A 43 10.752 -15.421 41.057 1.00 19.57 H new ATOM 0 HG2 PRO A 43 8.261 -15.620 39.662 1.00 18.87 H new ATOM 0 HG3 PRO A 43 9.629 -16.183 39.170 1.00 18.87 H new ATOM 0 HD2 PRO A 43 7.946 -17.755 40.369 1.00 19.56 H new ATOM 0 HD3 PRO A 43 9.477 -18.031 40.482 1.00 19.56 H new ATOM 351 N LEU A 44 7.223 -14.944 43.725 1.00 18.90 N ATOM 352 CA LEU A 44 6.141 -14.105 44.229 1.00 18.58 C ATOM 353 C LEU A 44 6.727 -13.171 45.291 1.00 19.18 C ATOM 354 O LEU A 44 7.281 -13.658 46.307 1.00 19.30 O ATOM 355 CB LEU A 44 5.027 -14.985 44.851 1.00 18.69 C ATOM 356 CG LEU A 44 3.729 -14.256 45.240 1.00 19.12 C ATOM 357 CD1 LEU A 44 3.061 -13.537 44.070 1.00 18.59 C ATOM 358 CD2 LEU A 44 2.706 -15.176 45.923 1.00 18.57 C ATOM 0 H LEU A 44 7.391 -15.625 44.222 1.00 18.90 H new ATOM 0 HA LEU A 44 5.750 -13.591 43.506 1.00 18.58 H new ATOM 0 HB2 LEU A 44 4.805 -15.688 44.221 1.00 18.69 H new ATOM 0 HB3 LEU A 44 5.385 -15.416 45.643 1.00 18.69 H new ATOM 0 HG LEU A 44 4.018 -13.586 45.879 1.00 19.12 H new ATOM 0 HD11 LEU A 44 2.252 -13.099 44.378 1.00 18.59 H new ATOM 0 HD12 LEU A 44 3.669 -12.874 43.708 1.00 18.59 H new ATOM 0 HD13 LEU A 44 2.837 -14.181 43.380 1.00 18.59 H new ATOM 0 HD21 LEU A 44 1.911 -14.667 46.146 1.00 18.57 H new ATOM 0 HD22 LEU A 44 2.469 -15.899 45.322 1.00 18.57 H new ATOM 0 HD23 LEU A 44 3.092 -15.544 46.734 1.00 18.57 H new ATOM 359 N VAL A 45 6.646 -11.857 45.042 1.00 18.46 N ATOM 360 CA VAL A 45 7.129 -10.818 45.957 1.00 19.14 C ATOM 361 C VAL A 45 6.672 -11.099 47.384 1.00 19.45 C ATOM 362 O VAL A 45 5.485 -11.367 47.619 1.00 19.82 O ATOM 363 CB VAL A 45 6.714 -9.391 45.443 1.00 18.23 C ATOM 364 CG1 VAL A 45 6.783 -8.358 46.531 1.00 21.54 C ATOM 365 CG2 VAL A 45 7.623 -8.987 44.214 1.00 18.84 C ATOM 0 H VAL A 45 6.301 -11.541 44.320 1.00 18.46 H new ATOM 0 HA VAL A 45 8.099 -10.834 45.973 1.00 19.14 H new ATOM 0 HB VAL A 45 5.788 -9.429 45.156 1.00 18.23 H new ATOM 0 HG11 VAL A 45 6.521 -7.495 46.175 1.00 21.54 H new ATOM 0 HG12 VAL A 45 6.183 -8.606 47.252 1.00 21.54 H new ATOM 0 HG13 VAL A 45 7.690 -8.305 46.870 1.00 21.54 H new ATOM 0 HG21 VAL A 45 7.367 -8.107 43.897 1.00 18.84 H new ATOM 0 HG22 VAL A 45 8.553 -8.973 44.490 1.00 18.84 H new ATOM 0 HG23 VAL A 45 7.508 -9.633 43.500 1.00 18.84 H new ATOM 366 N THR A 46 7.641 -11.097 48.321 1.00 20.04 N ATOM 367 CA THR A 46 7.393 -11.345 49.750 1.00 19.55 C ATOM 368 C THR A 46 7.438 -10.070 50.594 1.00 20.24 C ATOM 369 O THR A 46 7.029 -10.091 51.779 1.00 20.04 O ATOM 370 CB THR A 46 8.487 -12.269 50.373 1.00 19.39 C ATOM 371 OG1 THR A 46 9.742 -11.560 50.388 1.00 19.52 O ATOM 372 CG2 THR A 46 8.630 -13.600 49.623 1.00 20.05 C ATOM 0 H THR A 46 8.468 -10.949 48.138 1.00 20.04 H new ATOM 0 HA THR A 46 6.511 -11.748 49.770 1.00 19.55 H new ATOM 0 HB THR A 46 8.216 -12.492 51.277 1.00 19.39 H new ATOM 0 HG1 THR A 46 10.022 -11.469 49.601 1.00 19.52 H new ATOM 0 HG21 THR A 46 9.318 -14.137 50.045 1.00 20.05 H new ATOM 0 HG22 THR A 46 7.786 -14.078 49.648 1.00 20.05 H new ATOM 0 HG23 THR A 46 8.876 -13.427 48.701 1.00 20.05 H new ATOM 373 N THR A 47 7.939 -8.967 50.017 1.00 19.28 N ATOM 374 CA THR A 47 8.046 -7.725 50.801 1.00 19.91 C ATOM 375 C THR A 47 6.736 -6.951 50.833 1.00 19.84 C ATOM 376 O THR A 47 6.673 -5.903 51.421 1.00 19.86 O ATOM 377 CB THR A 47 9.236 -6.813 50.409 1.00 19.30 C ATOM 378 OG1 THR A 47 9.262 -6.625 48.988 1.00 20.00 O ATOM 379 CG2 THR A 47 10.544 -7.427 50.864 1.00 18.13 C ATOM 0 H THR A 47 8.213 -8.916 49.203 1.00 19.28 H new ATOM 0 HA THR A 47 8.241 -8.024 51.703 1.00 19.91 H new ATOM 0 HB THR A 47 9.123 -5.954 50.845 1.00 19.30 H new ATOM 0 HG1 THR A 47 9.449 -7.353 48.612 1.00 20.00 H new ATOM 0 HG21 THR A 47 11.279 -6.846 50.612 1.00 18.13 H new ATOM 0 HG22 THR A 47 10.533 -7.535 51.828 1.00 18.13 H new ATOM 0 HG23 THR A 47 10.659 -8.294 50.443 1.00 18.13 H new ATOM 380 N LYS A 48 5.726 -7.436 50.107 1.00 19.58 N ATOM 381 CA LYS A 48 4.338 -7.103 50.404 1.00 19.17 C ATOM 382 C LYS A 48 3.516 -8.323 50.033 1.00 19.65 C ATOM 383 O LYS A 48 3.861 -9.068 49.125 1.00 18.63 O ATOM 384 CB LYS A 48 3.839 -5.874 49.635 1.00 20.11 C ATOM 385 CG LYS A 48 3.612 -6.189 48.118 1.00 20.31 C ATOM 386 CD LYS A 48 3.204 -4.931 47.316 1.00 19.52 C ATOM 387 CE LYS A 48 2.755 -5.364 45.923 1.00 22.30 C ATOM 388 NZ LYS A 48 2.510 -4.169 45.024 1.00 21.19 N ATOM 0 H LYS A 48 5.828 -7.963 49.435 1.00 19.58 H new ATOM 0 HA LYS A 48 4.254 -6.875 51.343 1.00 19.17 H new ATOM 0 HB2 LYS A 48 3.009 -5.562 50.028 1.00 20.11 H new ATOM 0 HB3 LYS A 48 4.483 -5.154 49.723 1.00 20.11 H new ATOM 0 HG2 LYS A 48 4.425 -6.561 47.741 1.00 20.31 H new ATOM 0 HG3 LYS A 48 2.922 -6.865 48.029 1.00 20.31 H new ATOM 0 HD2 LYS A 48 2.487 -4.461 47.770 1.00 19.52 H new ATOM 0 HD3 LYS A 48 3.951 -4.316 47.252 1.00 19.52 H new ATOM 0 HE2 LYS A 48 3.431 -5.936 45.527 1.00 22.30 H new ATOM 0 HE3 LYS A 48 1.943 -5.891 45.992 1.00 22.30 H new ATOM 0 HZ1 LYS A 48 2.335 -4.450 44.198 1.00 21.19 H new ATOM 0 HZ2 LYS A 48 1.817 -3.703 45.332 1.00 21.19 H new ATOM 0 HZ3 LYS A 48 3.234 -3.652 45.014 1.00 21.19 H new ATOM 389 N ARG A 49 2.431 -8.551 50.752 1.00 19.98 N ATOM 390 CA ARG A 49 1.613 -9.703 50.470 1.00 20.95 C ATOM 391 C ARG A 49 1.060 -9.539 49.062 1.00 21.38 C ATOM 392 O ARG A 49 0.453 -8.520 48.764 1.00 22.74 O ATOM 393 CB ARG A 49 0.441 -9.799 51.453 1.00 20.30 C ATOM 394 CG ARG A 49 -0.530 -10.908 51.039 1.00 21.71 C ATOM 395 CD ARG A 49 -1.555 -11.152 52.143 1.00 24.95 C ATOM 396 NE ARG A 49 -0.946 -11.731 53.345 1.00 26.92 N ATOM 397 CZ ARG A 49 -0.529 -12.998 53.457 1.00 28.48 C ATOM 398 NH1 ARG A 49 -0.027 -13.402 54.608 1.00 34.38 N ATOM 399 NH2 ARG A 49 -0.604 -13.865 52.444 1.00 30.24 N ATOM 0 H ARG A 49 2.157 -8.055 51.399 1.00 19.98 H new ATOM 0 HA ARG A 49 2.147 -10.508 50.554 1.00 20.95 H new ATOM 0 HB2 ARG A 49 0.777 -9.975 52.346 1.00 20.30 H new ATOM 0 HB3 ARG A 49 -0.027 -8.950 51.488 1.00 20.30 H new ATOM 0 HG2 ARG A 49 -0.983 -10.660 50.218 1.00 21.71 H new ATOM 0 HG3 ARG A 49 -0.040 -11.725 50.858 1.00 21.71 H new ATOM 0 HD2 ARG A 49 -1.987 -10.314 52.372 1.00 24.95 H new ATOM 0 HD3 ARG A 49 -2.247 -11.747 51.814 1.00 24.95 H new ATOM 0 HE ARG A 49 -0.850 -11.218 54.029 1.00 26.92 H new ATOM 0 HH11 ARG A 49 0.028 -12.855 55.269 1.00 34.38 H new ATOM 0 HH12 ARG A 49 0.246 -14.213 54.697 1.00 34.38 H new ATOM 0 HH21 ARG A 49 -0.929 -13.616 51.688 1.00 30.24 H new ATOM 0 HH22 ARG A 49 -0.327 -14.673 52.548 1.00 30.24 H new ATOM 400 N CYS A 50 1.323 -10.523 48.205 1.00 21.77 N ATOM 401 CA CYS A 50 0.721 -10.594 46.863 1.00 23.36 C ATOM 402 C CYS A 50 -0.157 -11.832 46.828 1.00 23.50 C ATOM 403 O CYS A 50 -0.001 -12.736 47.647 1.00 25.83 O ATOM 404 CB CYS A 50 1.797 -10.646 45.774 1.00 23.85 C ATOM 405 SG CYS A 50 2.827 -9.164 45.723 1.00 27.17 S ATOM 0 H CYS A 50 1.857 -11.173 48.381 1.00 21.77 H new ATOM 0 HA CYS A 50 0.193 -9.800 46.687 1.00 23.36 H new ATOM 0 HB2 CYS A 50 2.362 -11.421 45.922 1.00 23.85 H new ATOM 0 HB3 CYS A 50 1.370 -10.767 44.911 1.00 23.85 H new ATOM 0 HG CYS A 50 3.298 -8.966 46.809 1.00 27.17 H new ATOM 406 N AHIS A 51 -1.139 -11.857 45.939 0.50 23.16 N ATOM 407 N BHIS A 51 -1.068 -11.859 45.861 0.50 23.16 N ATOM 408 CA AHIS A 51 -2.025 -13.016 45.871 0.50 21.66 C ATOM 409 CA BHIS A 51 -2.117 -12.870 45.781 0.50 21.66 C ATOM 410 C AHIS A 51 -2.172 -13.437 44.433 0.50 21.59 C ATOM 411 C BHIS A 51 -2.112 -13.416 44.365 0.50 21.59 C ATOM 412 O AHIS A 51 -2.357 -12.604 43.562 0.50 22.10 O ATOM 413 O BHIS A 51 -2.117 -12.634 43.423 0.50 22.10 O ATOM 414 CB AHIS A 51 -3.392 -12.705 46.478 0.50 21.22 C ATOM 415 CB BHIS A 51 -3.471 -12.208 46.074 0.50 21.22 C ATOM 416 CG AHIS A 51 -4.130 -13.918 46.952 0.50 18.50 C ATOM 417 CG BHIS A 51 -3.440 -11.230 47.217 0.50 18.50 C ATOM 418 ND1AHIS A 51 -4.715 -14.821 46.089 0.50 11.58 N ATOM 419 ND1BHIS A 51 -3.132 -9.910 47.255 0.50 11.58 N ATOM 420 CD2AHIS A 51 -4.370 -14.381 48.200 0.50 15.94 C ATOM 421 CD2BHIS A 51 -3.757 -11.585 48.513 0.50 15.94 C ATOM 422 CE1AHIS A 51 -5.279 -15.791 46.783 0.50 13.90 C ATOM 423 CE1BHIS A 51 -3.254 -9.500 48.563 0.50 13.90 C ATOM 424 NE2AHIS A 51 -5.100 -15.541 48.069 0.50 14.98 N ATOM 425 NE2BHIS A 51 -3.657 -10.525 49.296 0.50 14.98 N ATOM 0 H AHIS A 51 -1.310 -11.230 45.376 0.50 23.16 H new ATOM 0 H BHIS A 51 -1.095 -11.282 45.224 0.50 23.16 H new ATOM 0 HA AHIS A 51 -1.636 -13.740 46.387 0.50 21.66 H new ATOM 0 HA BHIS A 51 -1.968 -13.583 46.422 0.50 21.66 H new ATOM 0 HB2AHIS A 51 -3.275 -12.096 47.224 0.50 21.22 H new ATOM 0 HB2BHIS A 51 -3.775 -11.749 45.276 0.50 21.22 H new ATOM 0 HB3AHIS A 51 -3.933 -12.245 45.818 0.50 21.22 H new ATOM 0 HB3BHIS A 51 -4.123 -12.899 46.270 0.50 21.22 H new ATOM 0 HD2AHIS A 51 -4.094 -13.989 48.997 0.50 15.94 H new ATOM 0 HD2BHIS A 51 -4.003 -12.438 48.792 0.50 15.94 H new ATOM 0 HE1AHIS A 51 -5.726 -16.525 46.428 0.50 13.90 H new ATOM 0 HE1BHIS A 51 -3.081 -8.643 48.880 0.50 13.90 H new ATOM 0 HE2AHIS A 51 -5.392 -16.024 48.718 0.50 14.98 H new ATOM 0 HE2BHIS A 51 -3.825 -10.505 50.139 0.50 14.98 H new ATOM 426 N LEU A 52 -2.078 -14.741 44.208 1.00 21.81 N ATOM 427 CA LEU A 52 -2.198 -15.365 42.873 1.00 21.57 C ATOM 428 C LEU A 52 -3.611 -15.313 42.243 1.00 21.04 C ATOM 429 O LEU A 52 -3.774 -15.586 41.065 1.00 21.59 O ATOM 430 CB LEU A 52 -1.741 -16.820 42.944 1.00 21.42 C ATOM 431 CG LEU A 52 -0.242 -17.056 43.239 1.00 22.37 C ATOM 432 CD1 LEU A 52 0.074 -18.529 43.111 1.00 23.88 C ATOM 433 CD2 LEU A 52 0.665 -16.230 42.296 1.00 20.37 C ATOM 0 H ALEU A 52 -1.939 -15.311 44.837 0.50 21.81 H new ATOM 0 H BLEU A 52 -1.987 -15.300 44.855 0.50 21.81 H new ATOM 0 HA LEU A 52 -1.630 -14.834 42.294 1.00 21.57 H new ATOM 0 HB2 LEU A 52 -2.260 -17.269 43.630 1.00 21.42 H new ATOM 0 HB3 LEU A 52 -1.956 -17.248 42.100 1.00 21.42 H new ATOM 0 HG LEU A 52 -0.063 -16.761 44.146 1.00 22.37 H new ATOM 0 HD11 LEU A 52 1.015 -18.676 43.296 1.00 23.88 H new ATOM 0 HD12 LEU A 52 -0.462 -19.031 43.744 1.00 23.88 H new ATOM 0 HD13 LEU A 52 -0.128 -18.826 42.210 1.00 23.88 H new ATOM 0 HD21 LEU A 52 1.596 -16.402 42.509 1.00 20.37 H new ATOM 0 HD22 LEU A 52 0.492 -16.484 41.376 1.00 20.37 H new ATOM 0 HD23 LEU A 52 0.477 -15.285 42.411 1.00 20.37 H new ATOM 434 N ARG A 53 -4.621 -14.950 43.020 1.00 20.69 N ATOM 435 CA ARG A 53 -6.008 -15.141 42.589 1.00 19.71 C ATOM 436 C ARG A 53 -6.316 -14.540 41.208 1.00 18.68 C ATOM 437 O ARG A 53 -6.672 -15.286 40.280 1.00 18.25 O ATOM 438 CB ARG A 53 -6.986 -14.647 43.649 1.00 20.30 C ATOM 439 CG ARG A 53 -8.480 -14.834 43.263 1.00 22.86 C ATOM 440 CD ARG A 53 -9.401 -14.099 44.255 1.00 21.42 C ATOM 441 NE ARG A 53 -9.272 -12.637 44.227 1.00 23.12 N ATOM 442 CZ ARG A 53 -9.946 -11.820 43.406 1.00 26.29 C ATOM 443 NH1 ARG A 53 -9.767 -10.509 43.483 1.00 28.22 N ATOM 444 NH2 ARG A 53 -10.832 -12.302 42.530 1.00 25.75 N ATOM 0 H ARG A 53 -4.531 -14.593 43.797 1.00 20.69 H new ATOM 0 HA ARG A 53 -6.127 -16.098 42.486 1.00 19.71 H new ATOM 0 HB2 ARG A 53 -6.814 -15.118 44.479 1.00 20.30 H new ATOM 0 HB3 ARG A 53 -6.820 -13.706 43.817 1.00 20.30 H new ATOM 0 HG2 ARG A 53 -8.631 -14.497 42.366 1.00 22.86 H new ATOM 0 HG3 ARG A 53 -8.699 -15.779 43.252 1.00 22.86 H new ATOM 0 HD2 ARG A 53 -10.322 -14.336 44.062 1.00 21.42 H new ATOM 0 HD3 ARG A 53 -9.209 -14.413 45.152 1.00 21.42 H new ATOM 0 HE ARG A 53 -8.721 -12.277 44.780 1.00 23.12 H new ATOM 0 HH11 ARG A 53 -9.219 -10.183 44.060 1.00 28.22 H new ATOM 0 HH12 ARG A 53 -10.199 -9.984 42.956 1.00 28.22 H new ATOM 0 HH21 ARG A 53 -10.977 -13.149 42.487 1.00 25.75 H new ATOM 0 HH22 ARG A 53 -11.257 -11.766 42.009 1.00 25.75 H new ATOM 445 N SER A 54 -6.142 -13.224 41.076 1.00 18.01 N ATOM 446 CA SER A 54 -6.436 -12.556 39.802 1.00 17.76 C ATOM 447 C SER A 54 -5.466 -12.982 38.728 1.00 17.96 C ATOM 448 O SER A 54 -5.818 -12.998 37.527 1.00 18.04 O ATOM 449 CB SER A 54 -6.450 -11.037 39.923 1.00 17.08 C ATOM 450 OG SER A 54 -7.494 -10.594 40.809 1.00 19.06 O ATOM 0 H SER A 54 -5.859 -12.705 41.701 1.00 18.01 H new ATOM 0 HA SER A 54 -7.330 -12.834 39.550 1.00 17.76 H new ATOM 0 HB2 SER A 54 -5.591 -10.728 40.252 1.00 17.08 H new ATOM 0 HB3 SER A 54 -6.577 -10.642 39.046 1.00 17.08 H new ATOM 0 HG SER A 54 -7.882 -9.929 40.474 1.00 19.06 H new ATOM 451 N ILE A 55 -4.233 -13.268 39.150 1.00 17.74 N ATOM 452 CA ILE A 55 -3.157 -13.690 38.226 1.00 17.81 C ATOM 453 C ILE A 55 -3.527 -14.985 37.511 1.00 17.21 C ATOM 454 O ILE A 55 -3.477 -15.077 36.266 1.00 16.91 O ATOM 455 CB ILE A 55 -1.802 -13.836 38.975 1.00 17.59 C ATOM 456 CG1 ILE A 55 -1.397 -12.482 39.593 1.00 19.99 C ATOM 457 CG2 ILE A 55 -0.741 -14.381 38.015 1.00 19.01 C ATOM 458 CD1 ILE A 55 -0.170 -12.549 40.605 1.00 18.54 C ATOM 0 H ILE A 55 -3.991 -13.225 39.974 1.00 17.74 H new ATOM 0 HA ILE A 55 -3.053 -12.997 37.555 1.00 17.81 H new ATOM 0 HB ILE A 55 -1.889 -14.470 39.704 1.00 17.59 H new ATOM 0 HG12 ILE A 55 -1.175 -11.867 38.876 1.00 19.99 H new ATOM 0 HG13 ILE A 55 -2.163 -12.111 40.058 1.00 19.99 H new ATOM 0 HG21 ILE A 55 0.104 -14.472 38.483 1.00 19.01 H new ATOM 0 HG22 ILE A 55 -1.020 -15.248 37.682 1.00 19.01 H new ATOM 0 HG23 ILE A 55 -0.633 -13.769 37.270 1.00 19.01 H new ATOM 0 HD11 ILE A 55 0.018 -11.660 40.945 1.00 18.54 H new ATOM 0 HD12 ILE A 55 -0.391 -13.138 41.344 1.00 18.54 H new ATOM 0 HD13 ILE A 55 0.612 -12.890 40.144 1.00 18.54 H new ATOM 459 N ILE A 56 -3.942 -15.977 38.291 1.00 17.34 N ATOM 460 CA ILE A 56 -4.370 -17.264 37.749 1.00 16.39 C ATOM 461 C ILE A 56 -5.548 -17.087 36.791 1.00 17.15 C ATOM 462 O ILE A 56 -5.515 -17.597 35.674 1.00 17.62 O ATOM 463 CB ILE A 56 -4.752 -18.227 38.896 1.00 17.34 C ATOM 464 CG1 ILE A 56 -3.503 -18.589 39.726 1.00 16.90 C ATOM 465 CG2 ILE A 56 -5.327 -19.580 38.334 1.00 17.60 C ATOM 466 CD1 ILE A 56 -3.841 -19.340 41.130 1.00 15.29 C ATOM 0 H ILE A 56 -3.984 -15.924 39.148 1.00 17.34 H new ATOM 0 HA ILE A 56 -3.630 -17.646 37.252 1.00 16.39 H new ATOM 0 HB ILE A 56 -5.418 -17.773 39.436 1.00 17.34 H new ATOM 0 HG12 ILE A 56 -2.926 -19.160 39.194 1.00 16.90 H new ATOM 0 HG13 ILE A 56 -3.004 -17.779 39.914 1.00 16.90 H new ATOM 0 HG21 ILE A 56 -5.558 -20.165 39.072 1.00 17.60 H new ATOM 0 HG22 ILE A 56 -6.119 -19.400 37.804 1.00 17.60 H new ATOM 0 HG23 ILE A 56 -4.658 -20.010 37.779 1.00 17.60 H new ATOM 0 HD11 ILE A 56 -3.015 -19.538 41.599 1.00 15.29 H new ATOM 0 HD12 ILE A 56 -4.395 -18.764 41.680 1.00 15.29 H new ATOM 0 HD13 ILE A 56 -4.315 -20.167 40.949 1.00 15.29 H new ATOM 467 N HIS A 57 -6.597 -16.392 37.220 1.00 16.60 N ATOM 468 CA HIS A 57 -7.779 -16.268 36.355 1.00 18.05 C ATOM 469 C HIS A 57 -7.444 -15.594 35.038 1.00 17.55 C ATOM 470 O HIS A 57 -7.940 -16.012 33.989 1.00 19.30 O ATOM 471 CB HIS A 57 -8.938 -15.559 37.032 1.00 16.26 C ATOM 472 CG HIS A 57 -9.665 -16.421 38.020 1.00 19.73 C ATOM 473 ND1 HIS A 57 -10.286 -17.603 37.664 1.00 20.17 N ATOM 474 CD2 HIS A 57 -9.864 -16.277 39.351 1.00 21.68 C ATOM 475 CE1 HIS A 57 -10.832 -18.147 38.734 1.00 22.56 C ATOM 476 NE2 HIS A 57 -10.598 -17.357 39.770 1.00 21.99 N ATOM 0 H HIS A 57 -6.651 -15.995 37.981 1.00 16.60 H new ATOM 0 HA HIS A 57 -8.066 -17.176 36.172 1.00 18.05 H new ATOM 0 HB2 HIS A 57 -8.605 -14.769 37.485 1.00 16.26 H new ATOM 0 HB3 HIS A 57 -9.563 -15.256 36.355 1.00 16.26 H new ATOM 0 HD2 HIS A 57 -9.560 -15.577 39.882 1.00 21.68 H new ATOM 0 HE1 HIS A 57 -11.302 -18.949 38.757 1.00 22.56 H new ATOM 0 HE2 HIS A 57 -10.863 -17.498 40.576 1.00 21.99 H new ATOM 477 N GLU A 58 -6.612 -14.563 35.103 1.00 17.97 N ATOM 478 CA GLU A 58 -6.225 -13.815 33.905 1.00 17.67 C ATOM 479 C GLU A 58 -5.471 -14.717 32.957 1.00 17.20 C ATOM 480 O GLU A 58 -5.725 -14.727 31.737 1.00 16.57 O ATOM 481 CB GLU A 58 -5.412 -12.578 34.285 1.00 18.14 C ATOM 482 CG GLU A 58 -5.276 -11.616 33.092 1.00 19.62 C ATOM 483 CD GLU A 58 -4.076 -10.716 33.157 1.00 19.34 C ATOM 484 OE1 GLU A 58 -3.009 -11.119 33.681 1.00 18.10 O ATOM 485 OE2 GLU A 58 -4.210 -9.587 32.627 1.00 18.54 O ATOM 0 H GLU A 58 -6.257 -14.276 35.832 1.00 17.97 H new ATOM 0 HA GLU A 58 -7.023 -13.504 33.448 1.00 17.67 H new ATOM 0 HB2 GLU A 58 -5.840 -12.121 35.026 1.00 18.14 H new ATOM 0 HB3 GLU A 58 -4.531 -12.847 34.589 1.00 18.14 H new ATOM 0 HG2 GLU A 58 -5.233 -12.136 32.274 1.00 19.62 H new ATOM 0 HG3 GLU A 58 -6.075 -11.069 33.039 1.00 19.62 H new ATOM 486 N LEU A 59 -4.530 -15.472 33.512 1.00 16.83 N ATOM 487 CA LEU A 59 -3.766 -16.417 32.719 1.00 17.07 C ATOM 488 C LEU A 59 -4.647 -17.534 32.126 1.00 16.79 C ATOM 489 O LEU A 59 -4.555 -17.830 30.930 1.00 18.42 O ATOM 490 CB LEU A 59 -2.628 -17.015 33.534 1.00 16.73 C ATOM 491 CG LEU A 59 -1.723 -17.965 32.755 1.00 16.33 C ATOM 492 CD1 LEU A 59 -1.148 -17.354 31.470 1.00 15.50 C ATOM 493 CD2 LEU A 59 -0.599 -18.437 33.675 1.00 16.46 C ATOM 0 H LEU A 59 -4.321 -15.450 34.346 1.00 16.83 H new ATOM 0 HA LEU A 59 -3.392 -15.919 31.975 1.00 17.07 H new ATOM 0 HB2 LEU A 59 -2.088 -16.293 33.893 1.00 16.73 H new ATOM 0 HB3 LEU A 59 -3.003 -17.492 34.291 1.00 16.73 H new ATOM 0 HG LEU A 59 -2.267 -18.714 32.465 1.00 16.33 H new ATOM 0 HD11 LEU A 59 -0.585 -18.006 31.025 1.00 15.50 H new ATOM 0 HD12 LEU A 59 -1.874 -17.098 30.880 1.00 15.50 H new ATOM 0 HD13 LEU A 59 -0.621 -16.570 31.692 1.00 15.50 H new ATOM 0 HD21 LEU A 59 -0.016 -19.042 33.190 1.00 16.46 H new ATOM 0 HD22 LEU A 59 -0.087 -17.671 33.980 1.00 16.46 H new ATOM 0 HD23 LEU A 59 -0.978 -18.897 34.440 1.00 16.46 H new ATOM 494 N LEU A 60 -5.545 -18.112 32.906 1.00 16.87 N ATOM 495 CA LEU A 60 -6.482 -19.145 32.339 1.00 17.56 C ATOM 496 C LEU A 60 -7.313 -18.534 31.198 1.00 18.22 C ATOM 497 O LEU A 60 -7.551 -19.161 30.171 1.00 18.57 O ATOM 498 CB LEU A 60 -7.409 -19.684 33.413 1.00 18.41 C ATOM 499 CG LEU A 60 -6.674 -20.452 34.534 1.00 18.52 C ATOM 500 CD1 LEU A 60 -7.699 -20.927 35.555 1.00 23.89 C ATOM 501 CD2 LEU A 60 -5.819 -21.613 33.997 1.00 20.67 C ATOM 0 H LEU A 60 -5.648 -17.945 33.743 1.00 16.87 H new ATOM 0 HA LEU A 60 -5.949 -19.879 31.994 1.00 17.56 H new ATOM 0 HB2 LEU A 60 -7.901 -18.946 33.806 1.00 18.41 H new ATOM 0 HB3 LEU A 60 -8.061 -20.273 33.002 1.00 18.41 H new ATOM 0 HG LEU A 60 -6.046 -19.849 34.962 1.00 18.52 H new ATOM 0 HD11 LEU A 60 -7.249 -21.411 36.265 1.00 23.89 H new ATOM 0 HD12 LEU A 60 -8.162 -20.161 35.930 1.00 23.89 H new ATOM 0 HD13 LEU A 60 -8.341 -21.512 35.122 1.00 23.89 H new ATOM 0 HD21 LEU A 60 -5.380 -22.061 34.737 1.00 20.67 H new ATOM 0 HD22 LEU A 60 -6.387 -22.244 33.529 1.00 20.67 H new ATOM 0 HD23 LEU A 60 -5.149 -21.267 33.386 1.00 20.67 H new ATOM 502 N TRP A 61 -7.733 -17.297 31.417 1.00 17.74 N ATOM 503 CA TRP A 61 -8.503 -16.504 30.456 1.00 18.57 C ATOM 504 C TRP A 61 -7.705 -16.270 29.170 1.00 18.83 C ATOM 505 O TRP A 61 -8.223 -16.523 28.077 1.00 17.83 O ATOM 506 CB TRP A 61 -8.894 -15.186 31.143 1.00 17.90 C ATOM 507 CG TRP A 61 -9.636 -14.142 30.347 1.00 18.11 C ATOM 508 CD1 TRP A 61 -10.916 -14.198 29.877 1.00 18.90 C ATOM 509 CD2 TRP A 61 -9.147 -12.842 30.045 1.00 18.15 C ATOM 510 NE1 TRP A 61 -11.239 -13.003 29.233 1.00 16.64 N ATOM 511 CE2 TRP A 61 -10.173 -12.150 29.353 1.00 19.40 C ATOM 512 CE3 TRP A 61 -7.931 -12.182 30.307 1.00 17.72 C ATOM 513 CZ2 TRP A 61 -10.020 -10.832 28.928 1.00 16.87 C ATOM 514 CZ3 TRP A 61 -7.771 -10.897 29.878 1.00 16.35 C ATOM 515 CH2 TRP A 61 -8.817 -10.224 29.165 1.00 17.95 C ATOM 0 H TRP A 61 -7.575 -16.878 32.151 1.00 17.74 H new ATOM 0 HA TRP A 61 -9.306 -16.979 30.189 1.00 18.57 H new ATOM 0 HB2 TRP A 61 -9.438 -15.408 31.915 1.00 17.90 H new ATOM 0 HB3 TRP A 61 -8.081 -14.777 31.477 1.00 17.90 H new ATOM 0 HD1 TRP A 61 -11.488 -14.925 29.972 1.00 18.90 H new ATOM 0 HE1 TRP A 61 -11.979 -12.831 28.830 1.00 16.64 H new ATOM 0 HE3 TRP A 61 -7.248 -12.615 30.765 1.00 17.72 H new ATOM 0 HZ2 TRP A 61 -10.711 -10.381 28.498 1.00 16.87 H new ATOM 0 HZ3 TRP A 61 -6.973 -10.452 30.050 1.00 16.35 H new ATOM 0 HH2 TRP A 61 -8.675 -9.358 28.858 1.00 17.95 H new ATOM 516 N PHE A 62 -6.459 -15.816 29.287 1.00 17.15 N ATOM 517 CA PHE A 62 -5.592 -15.678 28.093 1.00 18.64 C ATOM 518 C PHE A 62 -5.512 -16.989 27.336 1.00 18.88 C ATOM 519 O PHE A 62 -5.659 -17.009 26.109 1.00 18.24 O ATOM 520 CB PHE A 62 -4.135 -15.377 28.488 1.00 17.31 C ATOM 521 CG PHE A 62 -3.900 -13.988 28.999 1.00 20.92 C ATOM 522 CD1 PHE A 62 -4.749 -12.934 28.654 1.00 18.69 C ATOM 523 CD2 PHE A 62 -2.808 -13.736 29.858 1.00 19.01 C ATOM 524 CE1 PHE A 62 -4.518 -11.657 29.130 1.00 19.80 C ATOM 525 CE2 PHE A 62 -2.577 -12.449 30.325 1.00 19.10 C ATOM 526 CZ PHE A 62 -3.399 -11.421 29.979 1.00 20.60 C ATOM 0 H PHE A 62 -6.093 -15.584 30.030 1.00 17.15 H new ATOM 0 HA PHE A 62 -5.981 -14.963 27.565 1.00 18.64 H new ATOM 0 HB2 PHE A 62 -3.860 -16.010 29.169 1.00 17.31 H new ATOM 0 HB3 PHE A 62 -3.566 -15.525 27.716 1.00 17.31 H new ATOM 0 HD1 PHE A 62 -5.477 -13.093 28.098 1.00 18.69 H new ATOM 0 HD2 PHE A 62 -2.244 -14.431 30.111 1.00 19.01 H new ATOM 0 HE1 PHE A 62 -5.087 -10.959 28.898 1.00 19.80 H new ATOM 0 HE2 PHE A 62 -1.850 -12.287 30.882 1.00 19.10 H new ATOM 0 HZ PHE A 62 -3.230 -10.564 30.297 1.00 20.60 H new ATOM 527 N LEU A 63 -5.250 -18.083 28.078 1.00 17.78 N ATOM 528 CA LEU A 63 -5.075 -19.404 27.471 1.00 19.32 C ATOM 529 C LEU A 63 -6.305 -19.896 26.747 1.00 19.33 C ATOM 530 O LEU A 63 -6.178 -20.670 25.803 1.00 19.60 O ATOM 531 CB LEU A 63 -4.626 -20.450 28.488 1.00 18.92 C ATOM 532 CG LEU A 63 -3.155 -20.279 28.923 1.00 18.66 C ATOM 533 CD1 LEU A 63 -2.843 -21.149 30.127 1.00 16.29 C ATOM 534 CD2 LEU A 63 -2.180 -20.584 27.742 1.00 21.18 C ATOM 0 H LEU A 63 -5.171 -18.073 28.934 1.00 17.78 H new ATOM 0 HA LEU A 63 -4.373 -19.285 26.812 1.00 19.32 H new ATOM 0 HB2 LEU A 63 -5.197 -20.399 29.270 1.00 18.92 H new ATOM 0 HB3 LEU A 63 -4.745 -21.335 28.108 1.00 18.92 H new ATOM 0 HG LEU A 63 -3.025 -19.353 29.181 1.00 18.66 H new ATOM 0 HD11 LEU A 63 -1.916 -21.027 30.383 1.00 16.29 H new ATOM 0 HD12 LEU A 63 -3.418 -20.897 30.866 1.00 16.29 H new ATOM 0 HD13 LEU A 63 -2.996 -22.080 29.902 1.00 16.29 H new ATOM 0 HD21 LEU A 63 -1.264 -20.470 28.040 1.00 21.18 H new ATOM 0 HD22 LEU A 63 -2.310 -21.497 27.442 1.00 21.18 H new ATOM 0 HD23 LEU A 63 -2.359 -19.975 27.009 1.00 21.18 H new ATOM 535 N GLN A 64 -7.476 -19.443 27.186 1.00 19.86 N ATOM 536 CA GLN A 64 -8.740 -19.734 26.474 1.00 21.07 C ATOM 537 C GLN A 64 -8.919 -18.943 25.177 1.00 21.47 C ATOM 538 O GLN A 64 -9.801 -19.271 24.373 1.00 20.67 O ATOM 539 CB GLN A 64 -9.942 -19.534 27.392 1.00 22.48 C ATOM 540 CG GLN A 64 -10.062 -20.607 28.526 1.00 26.62 C ATOM 541 CD GLN A 64 -10.036 -22.070 27.994 1.00 32.83 C ATOM 542 OE1 GLN A 64 -9.088 -22.861 28.261 1.00 32.14 O ATOM 543 NE2 GLN A 64 -11.069 -22.420 27.202 1.00 32.91 N ATOM 0 H GLN A 64 -7.570 -18.964 27.894 1.00 19.86 H new ATOM 0 HA GLN A 64 -8.684 -20.667 26.214 1.00 21.07 H new ATOM 0 HB2 GLN A 64 -9.886 -18.654 27.796 1.00 22.48 H new ATOM 0 HB3 GLN A 64 -10.752 -19.549 26.858 1.00 22.48 H new ATOM 0 HG2 GLN A 64 -9.335 -20.486 29.156 1.00 26.62 H new ATOM 0 HG3 GLN A 64 -10.887 -20.462 29.014 1.00 26.62 H new ATOM 0 HE21 GLN A 64 -11.698 -21.856 27.041 1.00 32.91 H new ATOM 0 HE22 GLN A 64 -11.099 -23.207 26.858 1.00 32.91 H new ATOM 544 N GLY A 65 -8.095 -17.923 24.952 1.00 20.79 N ATOM 545 CA GLY A 65 -8.240 -17.097 23.737 1.00 21.35 C ATOM 546 C GLY A 65 -9.322 -16.041 23.846 1.00 22.27 C ATOM 547 O GLY A 65 -9.699 -15.414 22.863 1.00 22.63 O ATOM 0 H GLY A 65 -7.454 -17.689 25.475 1.00 20.79 H new ATOM 0 HA2 GLY A 65 -7.393 -16.663 23.547 1.00 21.35 H new ATOM 0 HA3 GLY A 65 -8.438 -17.675 22.984 1.00 21.35 H new ATOM 548 N ASP A 66 -9.739 -15.794 25.077 1.00 22.79 N ATOM 549 CA ASP A 66 -10.836 -14.895 25.397 1.00 23.72 C ATOM 550 C ASP A 66 -10.325 -13.475 25.580 1.00 23.45 C ATOM 551 O ASP A 66 -9.247 -13.255 26.197 1.00 22.76 O ATOM 552 CB ASP A 66 -11.463 -15.391 26.684 1.00 24.75 C ATOM 553 CG ASP A 66 -12.851 -14.925 26.858 1.00 26.73 C ATOM 554 OD1 ASP A 66 -13.290 -14.018 26.110 1.00 25.21 O ATOM 555 OD2 ASP A 66 -13.511 -15.465 27.771 1.00 30.05 O ATOM 0 H ASP A 66 -9.381 -16.155 25.771 1.00 22.79 H new ATOM 0 HA ASP A 66 -11.486 -14.884 24.677 1.00 23.72 H new ATOM 0 HB2 ASP A 66 -11.448 -16.361 26.694 1.00 24.75 H new ATOM 0 HB3 ASP A 66 -10.929 -15.091 27.436 1.00 24.75 H new ATOM 556 N THR A 67 -11.053 -12.524 24.988 1.00 22.23 N ATOM 557 CA THR A 67 -10.739 -11.087 25.108 1.00 21.24 C ATOM 558 C THR A 67 -11.955 -10.284 25.610 1.00 21.88 C ATOM 559 O THR A 67 -11.944 -9.047 25.654 1.00 21.47 O ATOM 560 CB THR A 67 -10.263 -10.501 23.784 1.00 21.90 C ATOM 561 OG1 THR A 67 -11.321 -10.614 22.794 1.00 22.27 O ATOM 562 CG2 THR A 67 -9.011 -11.193 23.292 1.00 21.27 C ATOM 0 H THR A 67 -11.744 -12.690 24.504 1.00 22.23 H new ATOM 0 HA THR A 67 -10.022 -11.016 25.757 1.00 21.24 H new ATOM 0 HB THR A 67 -10.047 -9.566 23.924 1.00 21.90 H new ATOM 0 HG1 THR A 67 -10.983 -10.667 22.027 1.00 22.27 H new ATOM 0 HG21 THR A 67 -8.733 -10.799 22.450 1.00 21.27 H new ATOM 0 HG22 THR A 67 -8.304 -11.087 23.947 1.00 21.27 H new ATOM 0 HG23 THR A 67 -9.192 -12.137 23.163 1.00 21.27 H new ATOM 563 N ASN A 68 -13.004 -11.014 25.975 1.00 22.66 N ATOM 564 CA ASN A 68 -14.145 -10.458 26.643 1.00 22.63 C ATOM 565 C ASN A 68 -14.038 -10.718 28.126 1.00 22.45 C ATOM 566 O ASN A 68 -13.749 -11.814 28.561 1.00 23.43 O ATOM 567 CB ASN A 68 -15.453 -11.015 26.053 1.00 22.76 C ATOM 568 CG ASN A 68 -16.653 -10.264 26.533 1.00 24.88 C ATOM 569 OD1 ASN A 68 -17.091 -10.573 27.742 1.00 26.88 O flip ATOM 570 ND2 ASN A 68 -17.172 -9.385 25.836 1.00 22.15 N flip ATOM 0 H ASN A 68 -13.063 -11.860 25.834 1.00 22.66 H new ATOM 0 HA ASN A 68 -14.162 -9.498 26.504 1.00 22.63 H new ATOM 0 HB2 ASN A 68 -15.413 -10.973 25.085 1.00 22.76 H new ATOM 0 HB3 ASN A 68 -15.542 -11.951 26.293 1.00 22.76 H new ATOM 0 HD21 ASN A 68 -16.857 -9.214 25.054 1.00 22.15 H new ATOM 0 HD22 ASN A 68 -17.848 -8.944 26.133 1.00 22.15 H new ATOM 571 N ILE A 69 -14.295 -9.691 28.910 1.00 23.43 N ATOM 572 CA ILE A 69 -14.086 -9.775 30.347 1.00 24.30 C ATOM 573 C ILE A 69 -15.174 -10.553 31.107 1.00 23.40 C ATOM 574 O ILE A 69 -15.050 -10.721 32.306 1.00 21.89 O ATOM 575 CB ILE A 69 -13.882 -8.365 30.987 1.00 24.01 C ATOM 576 CG1 ILE A 69 -15.130 -7.486 30.811 1.00 25.66 C ATOM 577 CG2 ILE A 69 -12.626 -7.706 30.390 1.00 26.28 C ATOM 578 CD1 ILE A 69 -15.088 -6.131 31.583 1.00 25.89 C ATOM 0 H ILE A 69 -14.592 -8.933 28.633 1.00 23.43 H new ATOM 0 HA ILE A 69 -13.270 -10.290 30.442 1.00 24.30 H new ATOM 0 HB ILE A 69 -13.749 -8.467 31.942 1.00 24.01 H new ATOM 0 HG12 ILE A 69 -15.250 -7.302 29.866 1.00 25.66 H new ATOM 0 HG13 ILE A 69 -15.907 -7.987 31.104 1.00 25.66 H new ATOM 0 HG21 ILE A 69 -12.500 -6.830 30.788 1.00 26.28 H new ATOM 0 HG22 ILE A 69 -11.851 -8.259 30.575 1.00 26.28 H new ATOM 0 HG23 ILE A 69 -12.734 -7.612 29.431 1.00 26.28 H new ATOM 0 HD11 ILE A 69 -15.908 -5.640 31.420 1.00 25.89 H new ATOM 0 HD12 ILE A 69 -14.998 -6.303 32.533 1.00 25.89 H new ATOM 0 HD13 ILE A 69 -14.331 -5.607 31.277 1.00 25.89 H new ATOM 579 N ALA A 70 -16.206 -11.060 30.409 1.00 22.67 N ATOM 580 CA ALA A 70 -17.262 -11.815 31.115 1.00 22.70 C ATOM 581 C ALA A 70 -16.717 -12.934 32.003 1.00 22.24 C ATOM 582 O ALA A 70 -17.157 -13.086 33.148 1.00 22.98 O ATOM 583 CB ALA A 70 -18.308 -12.372 30.131 1.00 24.21 C ATOM 0 H ALA A 70 -16.313 -10.983 29.559 1.00 22.67 H new ATOM 0 HA ALA A 70 -17.693 -11.175 31.703 1.00 22.70 H new ATOM 0 HB1 ALA A 70 -18.986 -12.861 30.622 1.00 24.21 H new ATOM 0 HB2 ALA A 70 -18.723 -11.639 29.650 1.00 24.21 H new ATOM 0 HB3 ALA A 70 -17.874 -12.967 29.500 1.00 24.21 H new ATOM 584 N TYR A 71 -15.786 -13.743 31.479 1.00 21.63 N ATOM 585 CA TYR A 71 -15.147 -14.802 32.310 1.00 21.31 C ATOM 586 C TYR A 71 -14.532 -14.214 33.564 1.00 20.66 C ATOM 587 O TYR A 71 -14.620 -14.799 34.645 1.00 20.81 O ATOM 588 CB TYR A 71 -14.025 -15.537 31.545 1.00 22.56 C ATOM 589 CG TYR A 71 -13.188 -16.408 32.485 1.00 23.89 C ATOM 590 CD1 TYR A 71 -13.623 -17.676 32.863 1.00 26.30 C ATOM 591 CD2 TYR A 71 -11.981 -15.946 33.022 1.00 26.02 C ATOM 592 CE1 TYR A 71 -12.868 -18.478 33.756 1.00 27.43 C ATOM 593 CE2 TYR A 71 -11.206 -16.739 33.901 1.00 26.75 C ATOM 594 CZ TYR A 71 -11.661 -17.990 34.274 1.00 28.31 C ATOM 595 OH TYR A 71 -10.907 -18.745 35.166 1.00 29.38 O ATOM 0 H TYR A 71 -15.510 -13.705 30.666 1.00 21.63 H new ATOM 0 HA TYR A 71 -15.853 -15.427 32.536 1.00 21.31 H new ATOM 0 HB2 TYR A 71 -14.414 -16.090 30.849 1.00 22.56 H new ATOM 0 HB3 TYR A 71 -13.452 -14.889 31.106 1.00 22.56 H new ATOM 0 HD1 TYR A 71 -14.424 -18.003 32.523 1.00 26.30 H new ATOM 0 HD2 TYR A 71 -11.680 -15.096 32.795 1.00 26.02 H new ATOM 0 HE1 TYR A 71 -13.172 -19.323 33.997 1.00 27.43 H new ATOM 0 HE2 TYR A 71 -10.395 -16.420 34.226 1.00 26.75 H new ATOM 0 HH TYR A 71 -10.865 -18.347 35.905 1.00 29.38 H new ATOM 596 N LEU A 72 -13.847 -13.085 33.420 1.00 19.59 N ATOM 597 CA LEU A 72 -13.205 -12.455 34.584 1.00 18.44 C ATOM 598 C LEU A 72 -14.274 -11.993 35.590 1.00 20.36 C ATOM 599 O LEU A 72 -14.133 -12.197 36.799 1.00 21.86 O ATOM 600 CB LEU A 72 -12.317 -11.301 34.131 1.00 18.01 C ATOM 601 CG LEU A 72 -11.157 -11.696 33.184 1.00 17.06 C ATOM 602 CD1 LEU A 72 -10.359 -10.456 32.855 1.00 19.25 C ATOM 603 CD2 LEU A 72 -10.266 -12.753 33.812 1.00 17.45 C ATOM 0 H LEU A 72 -13.739 -12.669 32.675 1.00 19.59 H new ATOM 0 HA LEU A 72 -12.639 -13.103 35.032 1.00 18.44 H new ATOM 0 HB2 LEU A 72 -12.871 -10.642 33.684 1.00 18.01 H new ATOM 0 HB3 LEU A 72 -11.943 -10.872 34.916 1.00 18.01 H new ATOM 0 HG LEU A 72 -11.525 -12.078 32.372 1.00 17.06 H new ATOM 0 HD11 LEU A 72 -9.628 -10.689 32.262 1.00 19.25 H new ATOM 0 HD12 LEU A 72 -10.934 -9.807 32.420 1.00 19.25 H new ATOM 0 HD13 LEU A 72 -10.002 -10.074 33.672 1.00 19.25 H new ATOM 0 HD21 LEU A 72 -9.550 -12.980 33.198 1.00 17.45 H new ATOM 0 HD22 LEU A 72 -9.887 -12.409 34.636 1.00 17.45 H new ATOM 0 HD23 LEU A 72 -10.790 -13.546 34.004 1.00 17.45 H new ATOM 604 N HIS A 73 -15.354 -11.394 35.093 1.00 20.89 N ATOM 605 CA HIS A 73 -16.479 -11.019 35.972 1.00 22.77 C ATOM 606 C HIS A 73 -17.116 -12.193 36.689 1.00 22.55 C ATOM 607 O HIS A 73 -17.342 -12.133 37.900 1.00 23.54 O ATOM 608 CB HIS A 73 -17.503 -10.206 35.180 1.00 22.87 C ATOM 609 CG HIS A 73 -17.078 -8.790 34.991 1.00 27.68 C ATOM 610 ND1 HIS A 73 -17.899 -7.819 34.456 1.00 29.53 N ATOM 611 CD2 HIS A 73 -15.916 -8.168 35.322 1.00 29.35 C ATOM 612 CE1 HIS A 73 -17.251 -6.664 34.447 1.00 33.21 C ATOM 613 NE2 HIS A 73 -16.049 -6.850 34.970 1.00 30.29 N ATOM 0 H HIS A 73 -15.462 -11.195 34.263 1.00 20.89 H new ATOM 0 HA HIS A 73 -16.115 -10.468 36.683 1.00 22.77 H new ATOM 0 HB2 HIS A 73 -17.640 -10.619 34.313 1.00 22.87 H new ATOM 0 HB3 HIS A 73 -18.356 -10.227 35.642 1.00 22.87 H new ATOM 0 HD2 HIS A 73 -15.171 -8.563 35.714 1.00 29.35 H new ATOM 0 HE1 HIS A 73 -17.585 -5.857 34.127 1.00 33.21 H new ATOM 0 HE2 HIS A 73 -15.449 -6.242 35.072 1.00 30.29 H new ATOM 614 N GLU A 74 -17.357 -13.281 35.969 1.00 22.42 N ATOM 615 CA GLU A 74 -17.871 -14.514 36.569 1.00 23.68 C ATOM 616 C GLU A 74 -16.971 -14.977 37.702 1.00 22.91 C ATOM 617 O GLU A 74 -17.430 -15.561 38.688 1.00 23.47 O ATOM 618 CB GLU A 74 -18.023 -15.617 35.516 1.00 23.53 C ATOM 619 CG GLU A 74 -19.129 -15.268 34.555 1.00 28.30 C ATOM 620 CD GLU A 74 -19.192 -16.171 33.344 1.00 36.56 C ATOM 621 OE1 GLU A 74 -18.567 -17.262 33.369 1.00 38.81 O ATOM 622 OE2 GLU A 74 -19.870 -15.766 32.366 1.00 40.83 O ATOM 0 H GLU A 74 -17.229 -13.329 35.120 1.00 22.42 H new ATOM 0 HA GLU A 74 -18.749 -14.324 36.934 1.00 23.68 H new ATOM 0 HB2 GLU A 74 -17.189 -15.730 35.033 1.00 23.53 H new ATOM 0 HB3 GLU A 74 -18.217 -16.463 35.949 1.00 23.53 H new ATOM 0 HG2 GLU A 74 -19.978 -15.309 35.023 1.00 28.30 H new ATOM 0 HG3 GLU A 74 -19.012 -14.352 34.259 1.00 28.30 H new ATOM 623 N ASN A 75 -15.691 -14.657 37.593 1.00 23.66 N ATOM 624 CA ASN A 75 -14.758 -14.997 38.654 1.00 23.45 C ATOM 625 C ASN A 75 -14.292 -13.839 39.536 1.00 24.18 C ATOM 626 O ASN A 75 -13.266 -13.955 40.232 1.00 24.68 O ATOM 627 CB ASN A 75 -13.586 -15.737 38.031 1.00 24.26 C ATOM 628 CG ASN A 75 -13.989 -17.095 37.521 1.00 23.31 C ATOM 629 OD1 ASN A 75 -14.172 -17.300 36.314 1.00 26.91 O ATOM 630 ND2 ASN A 75 -14.152 -18.026 38.431 1.00 22.44 N ATOM 0 H ASN A 75 -15.345 -14.247 36.921 1.00 23.66 H new ATOM 0 HA ASN A 75 -15.241 -15.558 39.280 1.00 23.45 H new ATOM 0 HB2 ASN A 75 -13.223 -15.212 37.301 1.00 24.26 H new ATOM 0 HB3 ASN A 75 -12.879 -15.835 38.688 1.00 24.26 H new ATOM 0 HD21 ASN A 75 -14.396 -18.817 38.198 1.00 22.44 H new ATOM 0 HD22 ASN A 75 -14.015 -17.845 39.261 1.00 22.44 H new ATOM 631 N ASN A 76 -15.036 -12.729 39.520 1.00 23.05 N ATOM 632 CA ASN A 76 -14.790 -11.624 40.449 1.00 23.32 C ATOM 633 C ASN A 76 -13.369 -11.040 40.268 1.00 22.40 C ATOM 634 O ASN A 76 -12.709 -10.602 41.228 1.00 21.09 O ATOM 635 CB ASN A 76 -15.051 -12.106 41.893 1.00 24.12 C ATOM 636 CG ASN A 76 -15.145 -10.970 42.905 1.00 25.85 C ATOM 637 OD1 ASN A 76 -15.607 -9.795 42.469 1.00 27.53 O flip ATOM 638 ND2 ASN A 76 -14.806 -11.158 44.069 1.00 28.61 N flip ATOM 0 H ASN A 76 -15.690 -12.597 38.977 1.00 23.05 H new ATOM 0 HA ASN A 76 -15.403 -10.898 40.256 1.00 23.32 H new ATOM 0 HB2 ASN A 76 -15.876 -12.616 41.912 1.00 24.12 H new ATOM 0 HB3 ASN A 76 -14.339 -12.709 42.159 1.00 24.12 H new ATOM 0 HD21 ASN A 76 -14.513 -11.929 44.312 1.00 28.61 H new ATOM 0 HD22 ASN A 76 -14.861 -10.519 44.642 1.00 28.61 H new ATOM 639 N VAL A 77 -12.911 -11.024 39.017 1.00 20.41 N ATOM 640 CA VAL A 77 -11.649 -10.372 38.696 1.00 20.98 C ATOM 641 C VAL A 77 -11.969 -9.081 37.976 1.00 21.49 C ATOM 642 O VAL A 77 -12.590 -9.089 36.905 1.00 21.01 O ATOM 643 CB VAL A 77 -10.710 -11.301 37.891 1.00 21.36 C ATOM 644 CG1 VAL A 77 -9.533 -10.514 37.224 1.00 20.66 C ATOM 645 CG2 VAL A 77 -10.246 -12.477 38.788 1.00 21.30 C ATOM 0 H VAL A 77 -13.314 -11.382 38.347 1.00 20.41 H new ATOM 0 HA VAL A 77 -11.157 -10.169 39.507 1.00 20.98 H new ATOM 0 HB VAL A 77 -11.201 -11.682 37.147 1.00 21.36 H new ATOM 0 HG11 VAL A 77 -8.970 -11.131 36.731 1.00 20.66 H new ATOM 0 HG12 VAL A 77 -9.892 -9.848 36.617 1.00 20.66 H new ATOM 0 HG13 VAL A 77 -9.007 -10.075 37.911 1.00 20.66 H new ATOM 0 HG21 VAL A 77 -9.657 -13.058 38.281 1.00 21.30 H new ATOM 0 HG22 VAL A 77 -9.771 -12.129 39.559 1.00 21.30 H new ATOM 0 HG23 VAL A 77 -11.019 -12.981 39.086 1.00 21.30 H new ATOM 646 N THR A 78 -11.504 -7.978 38.561 1.00 22.80 N ATOM 647 CA THR A 78 -11.859 -6.629 38.120 1.00 24.22 C ATOM 648 C THR A 78 -10.745 -5.887 37.371 1.00 23.88 C ATOM 649 O THR A 78 -10.924 -4.730 36.958 1.00 23.71 O ATOM 650 CB THR A 78 -12.263 -5.761 39.341 1.00 24.65 C ATOM 651 OG1 THR A 78 -11.141 -5.681 40.229 1.00 26.76 O ATOM 652 CG2 THR A 78 -13.488 -6.369 40.067 1.00 27.54 C ATOM 0 H THR A 78 -10.967 -7.992 39.233 1.00 22.80 H new ATOM 0 HA THR A 78 -12.593 -6.754 37.498 1.00 24.22 H new ATOM 0 HB THR A 78 -12.513 -4.873 39.042 1.00 24.65 H new ATOM 0 HG1 THR A 78 -11.344 -5.212 40.896 1.00 26.76 H new ATOM 0 HG21 THR A 78 -13.724 -5.812 40.826 1.00 27.54 H new ATOM 0 HG22 THR A 78 -14.238 -6.414 39.454 1.00 27.54 H new ATOM 0 HG23 THR A 78 -13.270 -7.262 40.377 1.00 27.54 H new ATOM 653 N ILE A 79 -9.605 -6.546 37.171 1.00 23.16 N ATOM 654 CA ILE A 79 -8.387 -5.835 36.748 1.00 22.84 C ATOM 655 C ILE A 79 -8.502 -5.218 35.360 1.00 22.65 C ATOM 656 O ILE A 79 -7.752 -4.304 35.009 1.00 22.46 O ATOM 657 CB ILE A 79 -7.176 -6.758 36.787 1.00 23.17 C ATOM 658 CG1 ILE A 79 -7.386 -7.946 35.861 1.00 21.74 C ATOM 659 CG2 ILE A 79 -6.914 -7.254 38.231 1.00 23.16 C ATOM 660 CD1 ILE A 79 -6.226 -8.959 35.896 1.00 23.39 C ATOM 0 H ILE A 79 -9.511 -7.395 37.272 1.00 23.16 H new ATOM 0 HA ILE A 79 -8.273 -5.110 37.382 1.00 22.84 H new ATOM 0 HB ILE A 79 -6.402 -6.256 36.486 1.00 23.17 H new ATOM 0 HG12 ILE A 79 -8.209 -8.398 36.106 1.00 21.74 H new ATOM 0 HG13 ILE A 79 -7.499 -7.624 34.953 1.00 21.74 H new ATOM 0 HG21 ILE A 79 -6.141 -7.840 38.237 1.00 23.16 H new ATOM 0 HG22 ILE A 79 -6.748 -6.493 38.809 1.00 23.16 H new ATOM 0 HG23 ILE A 79 -7.690 -7.740 38.552 1.00 23.16 H new ATOM 0 HD11 ILE A 79 -6.417 -9.691 35.288 1.00 23.39 H new ATOM 0 HD12 ILE A 79 -5.404 -8.520 35.625 1.00 23.39 H new ATOM 0 HD13 ILE A 79 -6.126 -9.305 36.796 1.00 23.39 H new ATOM 661 N TRP A 80 -9.422 -5.725 34.551 1.00 21.12 N ATOM 662 CA TRP A 80 -9.576 -5.201 33.179 1.00 22.01 C ATOM 663 C TRP A 80 -10.776 -4.288 32.981 1.00 22.46 C ATOM 664 O TRP A 80 -11.069 -3.870 31.835 1.00 21.70 O ATOM 665 CB TRP A 80 -9.686 -6.374 32.191 1.00 21.28 C ATOM 666 CG TRP A 80 -8.326 -6.925 31.819 1.00 20.79 C ATOM 667 CD1 TRP A 80 -7.749 -8.069 32.258 1.00 19.47 C ATOM 668 CD2 TRP A 80 -7.392 -6.308 30.931 1.00 22.45 C ATOM 669 NE1 TRP A 80 -6.483 -8.213 31.689 1.00 20.43 N ATOM 670 CE2 TRP A 80 -6.244 -7.143 30.875 1.00 19.64 C ATOM 671 CE3 TRP A 80 -7.402 -5.120 30.189 1.00 23.33 C ATOM 672 CZ2 TRP A 80 -5.136 -6.833 30.096 1.00 22.41 C ATOM 673 CZ3 TRP A 80 -6.271 -4.806 29.399 1.00 22.03 C ATOM 674 CH2 TRP A 80 -5.171 -5.660 29.359 1.00 21.77 C ATOM 0 H TRP A 80 -9.962 -6.360 34.761 1.00 21.12 H new ATOM 0 HA TRP A 80 -8.787 -4.661 33.016 1.00 22.01 H new ATOM 0 HB2 TRP A 80 -10.224 -7.079 32.584 1.00 21.28 H new ATOM 0 HB3 TRP A 80 -10.146 -6.080 31.389 1.00 21.28 H new ATOM 0 HD1 TRP A 80 -8.139 -8.670 32.851 1.00 19.47 H new ATOM 0 HE1 TRP A 80 -5.943 -8.867 31.828 1.00 20.43 H new ATOM 0 HE3 TRP A 80 -8.136 -4.550 30.215 1.00 23.33 H new ATOM 0 HZ2 TRP A 80 -4.395 -7.394 30.070 1.00 22.41 H new ATOM 0 HZ3 TRP A 80 -6.262 -4.021 28.901 1.00 22.03 H new ATOM 0 HH2 TRP A 80 -4.443 -5.438 28.825 1.00 21.77 H new ATOM 675 N ASP A 81 -11.475 -3.983 34.067 1.00 23.24 N ATOM 676 CA ASP A 81 -12.767 -3.320 33.959 1.00 24.49 C ATOM 677 C ASP A 81 -12.667 -1.931 33.349 1.00 25.51 C ATOM 678 O ASP A 81 -13.536 -1.535 32.572 1.00 25.64 O ATOM 679 CB ASP A 81 -13.468 -3.237 35.313 1.00 25.39 C ATOM 680 CG ASP A 81 -13.951 -4.569 35.808 1.00 26.63 C ATOM 681 OD1 ASP A 81 -13.831 -5.575 35.093 1.00 28.21 O ATOM 682 OD2 ASP A 81 -14.447 -4.622 36.948 1.00 30.58 O ATOM 0 H ASP A 81 -11.221 -4.150 34.871 1.00 23.24 H new ATOM 0 HA ASP A 81 -13.296 -3.869 33.360 1.00 24.49 H new ATOM 0 HB2 ASP A 81 -12.858 -2.858 35.965 1.00 25.39 H new ATOM 0 HB3 ASP A 81 -14.222 -2.631 35.244 1.00 25.39 H new ATOM 683 N GLU A 82 -11.601 -1.191 33.657 1.00 25.94 N ATOM 684 CA GLU A 82 -11.528 0.172 33.153 1.00 27.75 C ATOM 685 C GLU A 82 -11.280 0.224 31.647 1.00 27.41 C ATOM 686 O GLU A 82 -11.480 1.265 31.034 1.00 27.89 O ATOM 687 CB GLU A 82 -10.507 0.996 33.933 1.00 29.39 C ATOM 688 CG GLU A 82 -10.913 1.201 35.398 1.00 33.77 C ATOM 689 CD GLU A 82 -12.341 1.742 35.553 1.00 42.76 C ATOM 690 OE1 GLU A 82 -12.743 2.672 34.784 1.00 44.00 O ATOM 691 OE2 GLU A 82 -13.070 1.226 36.442 1.00 46.40 O ATOM 0 H GLU A 82 -10.936 -1.449 34.137 1.00 25.94 H new ATOM 0 HA GLU A 82 -12.398 0.576 33.296 1.00 27.75 H new ATOM 0 HB2 GLU A 82 -9.644 0.554 33.898 1.00 29.39 H new ATOM 0 HB3 GLU A 82 -10.400 1.860 33.506 1.00 29.39 H new ATOM 0 HG2 GLU A 82 -10.839 0.357 35.870 1.00 33.77 H new ATOM 0 HG3 GLU A 82 -10.292 1.816 35.818 1.00 33.77 H new ATOM 692 N TRP A 83 -10.879 -0.898 31.050 1.00 25.32 N ATOM 693 CA TRP A 83 -10.466 -0.910 29.648 1.00 25.50 C ATOM 694 C TRP A 83 -11.502 -1.485 28.673 1.00 24.43 C ATOM 695 O TRP A 83 -11.425 -1.278 27.460 1.00 24.05 O ATOM 696 CB TRP A 83 -9.155 -1.663 29.536 1.00 26.92 C ATOM 697 CG TRP A 83 -8.042 -0.941 30.198 1.00 29.74 C ATOM 698 CD1 TRP A 83 -7.630 -1.078 31.495 1.00 30.51 C ATOM 699 CD2 TRP A 83 -7.203 0.058 29.606 1.00 30.23 C ATOM 700 NE1 TRP A 83 -6.577 -0.215 31.741 1.00 32.06 N ATOM 701 CE2 TRP A 83 -6.301 0.486 30.596 1.00 30.14 C ATOM 702 CE3 TRP A 83 -7.123 0.624 28.328 1.00 30.62 C ATOM 703 CZ2 TRP A 83 -5.337 1.452 30.355 1.00 31.37 C ATOM 704 CZ3 TRP A 83 -6.169 1.589 28.086 1.00 32.37 C ATOM 705 CH2 TRP A 83 -5.277 1.993 29.099 1.00 31.69 C ATOM 0 H TRP A 83 -10.839 -1.663 31.440 1.00 25.32 H new ATOM 0 HA TRP A 83 -10.366 0.017 29.380 1.00 25.50 H new ATOM 0 HB2 TRP A 83 -9.252 -2.542 29.935 1.00 26.92 H new ATOM 0 HB3 TRP A 83 -8.940 -1.799 28.600 1.00 26.92 H new ATOM 0 HD1 TRP A 83 -8.001 -1.662 32.117 1.00 30.51 H new ATOM 0 HE1 TRP A 83 -6.163 -0.132 32.490 1.00 32.06 H new ATOM 0 HE3 TRP A 83 -7.704 0.353 27.654 1.00 30.62 H new ATOM 0 HZ2 TRP A 83 -4.751 1.724 31.024 1.00 31.37 H new ATOM 0 HZ3 TRP A 83 -6.113 1.978 27.243 1.00 32.37 H new ATOM 0 HH2 TRP A 83 -4.635 2.639 28.911 1.00 31.69 H new ATOM 706 N ALA A 84 -12.465 -2.217 29.208 1.00 24.50 N ATOM 707 CA ALA A 84 -13.411 -2.956 28.367 1.00 23.44 C ATOM 708 C ALA A 84 -14.527 -2.016 27.906 1.00 24.84 C ATOM 709 O ALA A 84 -14.887 -1.072 28.612 1.00 24.24 O ATOM 710 CB ALA A 84 -13.962 -4.180 29.132 1.00 23.95 C ATOM 0 H ALA A 84 -12.594 -2.303 30.054 1.00 24.50 H new ATOM 0 HA ALA A 84 -12.958 -3.291 27.578 1.00 23.44 H new ATOM 0 HB1 ALA A 84 -14.586 -4.661 28.567 1.00 23.95 H new ATOM 0 HB2 ALA A 84 -13.229 -4.767 29.376 1.00 23.95 H new ATOM 0 HB3 ALA A 84 -14.417 -3.882 29.935 1.00 23.95 H new ATOM 711 N ASP A 85 -15.089 -2.258 26.724 1.00 24.71 N ATOM 712 CA ASP A 85 -16.209 -1.439 26.318 1.00 26.02 C ATOM 713 C ASP A 85 -17.489 -1.928 26.961 1.00 26.11 C ATOM 714 O ASP A 85 -17.460 -2.787 27.844 1.00 25.47 O ATOM 715 CB ASP A 85 -16.299 -1.338 24.778 1.00 26.51 C ATOM 716 CG ASP A 85 -16.659 -2.654 24.120 1.00 25.91 C ATOM 717 OD1 ASP A 85 -17.106 -3.595 24.796 1.00 23.97 O ATOM 718 OD2 ASP A 85 -16.521 -2.745 22.890 1.00 28.38 O ATOM 0 H ASP A 85 -14.845 -2.867 26.168 1.00 24.71 H new ATOM 0 HA ASP A 85 -16.067 -0.534 26.637 1.00 26.02 H new ATOM 0 HB2 ASP A 85 -16.962 -0.671 24.541 1.00 26.51 H new ATOM 0 HB3 ASP A 85 -15.448 -1.029 24.429 1.00 26.51 H new ATOM 719 N GLU A 86 -18.618 -1.360 26.533 1.00 27.30 N ATOM 720 CA GLU A 86 -19.936 -1.691 27.101 1.00 27.79 C ATOM 721 C GLU A 86 -20.317 -3.172 26.974 1.00 26.49 C ATOM 722 O GLU A 86 -21.016 -3.708 27.836 1.00 27.26 O ATOM 723 CB GLU A 86 -21.053 -0.792 26.506 1.00 29.52 C ATOM 724 CG GLU A 86 -21.117 -0.788 24.979 1.00 33.32 C ATOM 725 CD GLU A 86 -22.565 -0.852 24.442 1.00 42.66 C ATOM 726 OE1 GLU A 86 -23.236 0.221 24.404 1.00 41.61 O ATOM 727 OE2 GLU A 86 -23.015 -1.977 24.046 1.00 45.31 O ATOM 0 H GLU A 86 -18.645 -0.772 25.906 1.00 27.30 H new ATOM 0 HA GLU A 86 -19.855 -1.511 28.051 1.00 27.79 H new ATOM 0 HB2 GLU A 86 -21.909 -1.087 26.854 1.00 29.52 H new ATOM 0 HB3 GLU A 86 -20.919 0.118 26.815 1.00 29.52 H new ATOM 0 HG2 GLU A 86 -20.687 0.014 24.643 1.00 33.32 H new ATOM 0 HG3 GLU A 86 -20.615 -1.544 24.636 1.00 33.32 H new ATOM 728 N ASN A 87 -19.804 -3.826 25.939 1.00 25.33 N ATOM 729 CA ASN A 87 -20.082 -5.230 25.696 1.00 23.80 C ATOM 730 C ASN A 87 -19.115 -6.150 26.463 1.00 23.76 C ATOM 731 O ASN A 87 -19.223 -7.365 26.394 1.00 23.30 O ATOM 732 CB ASN A 87 -19.991 -5.502 24.197 1.00 24.50 C ATOM 733 CG ASN A 87 -20.580 -6.847 23.810 1.00 24.27 C ATOM 734 OD1 ASN A 87 -21.641 -7.205 24.276 1.00 26.63 O ATOM 735 ND2 ASN A 87 -19.874 -7.607 22.974 1.00 25.50 N ATOM 0 H ASN A 87 -19.284 -3.465 25.357 1.00 25.33 H new ATOM 0 HA ASN A 87 -20.976 -5.424 26.018 1.00 23.80 H new ATOM 0 HB2 ASN A 87 -20.455 -4.799 23.716 1.00 24.50 H new ATOM 0 HB3 ASN A 87 -19.062 -5.469 23.922 1.00 24.50 H new ATOM 0 HD21 ASN A 87 -20.167 -8.383 22.746 1.00 25.50 H new ATOM 0 HD22 ASN A 87 -19.125 -7.322 22.662 1.00 25.50 H new ATOM 736 N GLY A 88 -18.164 -5.553 27.179 1.00 22.78 N ATOM 737 CA GLY A 88 -17.137 -6.339 27.876 1.00 23.14 C ATOM 738 C GLY A 88 -15.934 -6.696 27.010 1.00 22.53 C ATOM 739 O GLY A 88 -15.044 -7.431 27.455 1.00 22.39 O ATOM 0 H GLY A 88 -18.093 -4.701 27.276 1.00 22.78 H new ATOM 0 HA2 GLY A 88 -16.830 -5.840 28.649 1.00 23.14 H new ATOM 0 HA3 GLY A 88 -17.539 -7.157 28.208 1.00 23.14 H new ATOM 740 N ASP A 89 -15.881 -6.138 25.802 1.00 23.08 N ATOM 741 CA ASP A 89 -14.825 -6.455 24.833 1.00 22.97 C ATOM 742 C ASP A 89 -13.606 -5.590 24.994 1.00 22.75 C ATOM 743 O ASP A 89 -13.713 -4.393 25.283 1.00 22.60 O ATOM 744 CB ASP A 89 -15.340 -6.297 23.402 1.00 23.57 C ATOM 745 CG ASP A 89 -16.228 -7.442 22.987 1.00 26.19 C ATOM 746 OD1 ASP A 89 -15.969 -8.611 23.383 1.00 28.42 O ATOM 747 OD2 ASP A 89 -17.211 -7.159 22.282 1.00 30.19 O ATOM 0 H ASP A 89 -16.455 -5.564 25.518 1.00 23.08 H new ATOM 0 HA ASP A 89 -14.573 -7.375 25.006 1.00 22.97 H new ATOM 0 HB2 ASP A 89 -15.832 -5.465 23.327 1.00 23.57 H new ATOM 0 HB3 ASP A 89 -14.587 -6.237 22.794 1.00 23.57 H new ATOM 748 N LEU A 90 -12.439 -6.193 24.780 1.00 22.05 N ATOM 749 CA LEU A 90 -11.167 -5.449 24.781 1.00 21.90 C ATOM 750 C LEU A 90 -10.551 -5.421 23.398 1.00 22.35 C ATOM 751 O LEU A 90 -9.496 -4.836 23.182 1.00 22.56 O ATOM 752 CB LEU A 90 -10.187 -6.130 25.753 1.00 21.42 C ATOM 753 CG LEU A 90 -10.543 -6.132 27.234 1.00 20.18 C ATOM 754 CD1 LEU A 90 -9.726 -7.186 27.975 1.00 19.01 C ATOM 755 CD2 LEU A 90 -10.273 -4.747 27.782 1.00 19.96 C ATOM 0 H LEU A 90 -12.356 -7.036 24.631 1.00 22.05 H new ATOM 0 HA LEU A 90 -11.344 -4.537 25.058 1.00 21.90 H new ATOM 0 HB2 LEU A 90 -10.080 -7.052 25.471 1.00 21.42 H new ATOM 0 HB3 LEU A 90 -9.323 -5.701 25.655 1.00 21.42 H new ATOM 0 HG LEU A 90 -11.479 -6.355 27.357 1.00 20.18 H new ATOM 0 HD11 LEU A 90 -9.962 -7.176 28.916 1.00 19.01 H new ATOM 0 HD12 LEU A 90 -9.915 -8.062 27.604 1.00 19.01 H new ATOM 0 HD13 LEU A 90 -8.781 -6.991 27.878 1.00 19.01 H new ATOM 0 HD21 LEU A 90 -10.493 -4.724 28.726 1.00 19.96 H new ATOM 0 HD22 LEU A 90 -9.335 -4.529 27.663 1.00 19.96 H new ATOM 0 HD23 LEU A 90 -10.818 -4.099 27.308 1.00 19.96 H new ATOM 756 N GLY A 91 -11.202 -6.075 22.448 1.00 22.79 N ATOM 757 CA GLY A 91 -10.661 -6.183 21.128 1.00 21.62 C ATOM 758 C GLY A 91 -9.672 -7.321 21.127 1.00 21.96 C ATOM 759 O GLY A 91 -9.573 -8.042 22.111 1.00 21.93 O ATOM 0 H GLY A 91 -11.962 -6.462 22.559 1.00 22.79 H new ATOM 0 HA2 GLY A 91 -11.367 -6.346 20.483 1.00 21.62 H new ATOM 0 HA3 GLY A 91 -10.227 -5.355 20.870 1.00 21.62 H new ATOM 760 N PRO A 92 -8.930 -7.485 20.018 1.00 22.43 N ATOM 761 CA PRO A 92 -8.072 -8.662 19.815 1.00 21.44 C ATOM 762 C PRO A 92 -6.760 -8.561 20.579 1.00 21.08 C ATOM 763 O PRO A 92 -5.705 -8.535 19.971 1.00 19.99 O ATOM 764 CB PRO A 92 -7.834 -8.659 18.294 1.00 22.22 C ATOM 765 CG PRO A 92 -7.941 -7.247 17.883 1.00 21.58 C ATOM 766 CD PRO A 92 -8.938 -6.594 18.843 1.00 22.36 C ATOM 0 HA PRO A 92 -8.480 -9.479 20.142 1.00 21.44 H new ATOM 0 HB2 PRO A 92 -6.961 -9.021 18.076 1.00 22.22 H new ATOM 0 HB3 PRO A 92 -8.491 -9.207 17.836 1.00 22.22 H new ATOM 0 HG2 PRO A 92 -7.078 -6.807 17.929 1.00 21.58 H new ATOM 0 HG3 PRO A 92 -8.247 -7.176 16.965 1.00 21.58 H new ATOM 0 HD2 PRO A 92 -8.668 -5.693 19.078 1.00 22.36 H new ATOM 0 HD3 PRO A 92 -9.822 -6.532 18.450 1.00 22.36 H new ATOM 767 N VAL A 93 -6.840 -8.486 21.907 1.00 20.61 N ATOM 768 CA VAL A 93 -5.639 -8.380 22.766 1.00 20.44 C ATOM 769 C VAL A 93 -5.067 -9.784 23.015 1.00 20.17 C ATOM 770 O VAL A 93 -5.389 -10.711 22.253 1.00 21.22 O ATOM 771 CB VAL A 93 -5.961 -7.624 24.066 1.00 20.26 C ATOM 772 CG1 VAL A 93 -6.360 -6.162 23.742 1.00 21.02 C ATOM 773 CG2 VAL A 93 -7.105 -8.326 24.810 1.00 19.60 C ATOM 0 H VAL A 93 -7.583 -8.494 22.341 1.00 20.61 H new ATOM 0 HA VAL A 93 -4.956 -7.859 22.316 1.00 20.44 H new ATOM 0 HB VAL A 93 -5.173 -7.618 24.632 1.00 20.26 H new ATOM 0 HG11 VAL A 93 -6.562 -5.691 24.566 1.00 21.02 H new ATOM 0 HG12 VAL A 93 -5.626 -5.719 23.288 1.00 21.02 H new ATOM 0 HG13 VAL A 93 -7.143 -6.159 23.169 1.00 21.02 H new ATOM 0 HG21 VAL A 93 -7.303 -7.844 25.628 1.00 19.60 H new ATOM 0 HG22 VAL A 93 -7.895 -8.344 24.247 1.00 19.60 H new ATOM 0 HG23 VAL A 93 -6.842 -9.234 25.026 1.00 19.60 H new ATOM 774 N TYR A 94 -4.225 -9.934 24.041 1.00 19.33 N ATOM 775 CA TYR A 94 -3.528 -11.182 24.366 1.00 19.16 C ATOM 776 C TYR A 94 -4.181 -12.505 23.948 1.00 19.43 C ATOM 777 O TYR A 94 -3.639 -13.184 23.100 1.00 20.23 O ATOM 778 CB TYR A 94 -3.182 -11.242 25.846 1.00 19.34 C ATOM 779 CG TYR A 94 -2.501 -10.003 26.340 1.00 19.79 C ATOM 780 CD1 TYR A 94 -1.135 -9.810 26.122 1.00 22.83 C ATOM 781 CD2 TYR A 94 -3.197 -9.049 27.066 1.00 18.87 C ATOM 782 CE1 TYR A 94 -0.488 -8.668 26.605 1.00 23.75 C ATOM 783 CE2 TYR A 94 -2.552 -7.896 27.549 1.00 22.13 C ATOM 784 CZ TYR A 94 -1.197 -7.725 27.314 1.00 21.75 C ATOM 785 OH TYR A 94 -0.566 -6.599 27.816 1.00 22.69 O ATOM 0 H TYR A 94 -4.038 -9.293 24.583 1.00 19.33 H new ATOM 0 HA TYR A 94 -2.739 -11.122 23.805 1.00 19.16 H new ATOM 0 HB2 TYR A 94 -3.994 -11.384 26.357 1.00 19.34 H new ATOM 0 HB3 TYR A 94 -2.608 -12.007 26.008 1.00 19.34 H new ATOM 0 HD1 TYR A 94 -0.650 -10.448 25.650 1.00 22.83 H new ATOM 0 HD2 TYR A 94 -4.103 -9.173 27.236 1.00 18.87 H new ATOM 0 HE1 TYR A 94 0.420 -8.546 26.447 1.00 23.75 H new ATOM 0 HE2 TYR A 94 -3.031 -7.254 28.022 1.00 22.13 H new ATOM 0 HH TYR A 94 0.041 -6.832 28.348 1.00 22.69 H new ATOM 786 N GLY A 95 -5.312 -12.875 24.550 1.00 19.09 N ATOM 787 CA GLY A 95 -5.943 -14.167 24.269 1.00 19.65 C ATOM 788 C GLY A 95 -6.138 -14.418 22.787 1.00 19.96 C ATOM 789 O GLY A 95 -5.843 -15.500 22.302 1.00 20.50 O ATOM 0 H GLY A 95 -5.731 -12.392 25.125 1.00 19.09 H new ATOM 0 HA2 GLY A 95 -5.398 -14.876 24.644 1.00 19.65 H new ATOM 0 HA3 GLY A 95 -6.804 -14.205 24.715 1.00 19.65 H new ATOM 790 N LYS A 96 -6.659 -13.427 22.064 1.00 19.46 N ATOM 791 CA LYS A 96 -6.917 -13.621 20.630 1.00 19.90 C ATOM 792 C LYS A 96 -5.615 -13.840 19.872 1.00 19.35 C ATOM 793 O LYS A 96 -5.535 -14.752 19.045 1.00 18.63 O ATOM 794 CB LYS A 96 -7.741 -12.438 20.048 1.00 20.30 C ATOM 795 CG LYS A 96 -7.855 -12.393 18.508 1.00 22.71 C ATOM 796 CD LYS A 96 -8.651 -13.520 17.904 1.00 26.47 C ATOM 797 CE LYS A 96 -8.748 -13.334 16.314 1.00 22.92 C ATOM 798 NZ LYS A 96 -8.488 -11.865 15.812 1.00 32.20 N ATOM 0 H LYS A 96 -6.867 -12.651 22.372 1.00 19.46 H new ATOM 0 HA LYS A 96 -7.453 -14.422 20.519 1.00 19.90 H new ATOM 0 HB2 LYS A 96 -8.636 -12.475 20.421 1.00 20.30 H new ATOM 0 HB3 LYS A 96 -7.341 -11.608 20.350 1.00 20.30 H new ATOM 0 HG2 LYS A 96 -8.262 -11.551 18.250 1.00 22.71 H new ATOM 0 HG3 LYS A 96 -6.962 -12.404 18.129 1.00 22.71 H new ATOM 0 HD2 LYS A 96 -8.232 -14.370 18.113 1.00 26.47 H new ATOM 0 HD3 LYS A 96 -9.541 -13.540 18.290 1.00 26.47 H new ATOM 0 HE2 LYS A 96 -8.107 -13.927 15.891 1.00 22.92 H new ATOM 0 HE3 LYS A 96 -9.629 -13.613 16.020 1.00 22.92 H new ATOM 0 HZ1 LYS A 96 -8.615 -11.825 14.932 1.00 32.20 H new ATOM 0 HZ2 LYS A 96 -9.051 -11.308 16.218 1.00 32.20 H new ATOM 0 HZ3 LYS A 96 -7.651 -11.630 16.002 1.00 32.20 H new ATOM 799 N GLN A 97 -4.564 -13.060 20.189 1.00 18.33 N ATOM 800 CA GLN A 97 -3.309 -13.259 19.484 1.00 18.04 C ATOM 801 C GLN A 97 -2.645 -14.572 19.860 1.00 17.22 C ATOM 802 O GLN A 97 -2.091 -15.218 18.997 1.00 17.29 O ATOM 803 CB GLN A 97 -2.357 -12.084 19.667 1.00 16.95 C ATOM 804 CG GLN A 97 -2.964 -10.737 19.240 1.00 18.49 C ATOM 805 CD GLN A 97 -3.502 -10.770 17.809 1.00 18.32 C ATOM 806 OE1 GLN A 97 -2.970 -11.478 16.932 1.00 17.35 O ATOM 807 NE2 GLN A 97 -4.533 -9.974 17.565 1.00 18.42 N ATOM 0 H GLN A 97 -4.565 -12.439 20.784 1.00 18.33 H new ATOM 0 HA GLN A 97 -3.529 -13.307 18.540 1.00 18.04 H new ATOM 0 HB2 GLN A 97 -2.093 -12.032 20.599 1.00 16.95 H new ATOM 0 HB3 GLN A 97 -1.551 -12.246 19.153 1.00 16.95 H new ATOM 0 HG2 GLN A 97 -3.682 -10.501 19.848 1.00 18.49 H new ATOM 0 HG3 GLN A 97 -2.290 -10.043 19.314 1.00 18.49 H new ATOM 0 HE21 GLN A 97 -4.871 -9.501 18.199 1.00 18.42 H new ATOM 0 HE22 GLN A 97 -4.864 -9.930 16.773 1.00 18.42 H new ATOM 808 N TRP A 98 -2.705 -14.965 21.138 1.00 16.87 N ATOM 809 CA TRP A 98 -2.087 -16.227 21.569 1.00 16.68 C ATOM 810 C TRP A 98 -2.710 -17.441 20.882 1.00 16.67 C ATOM 811 O TRP A 98 -2.022 -18.368 20.481 1.00 17.15 O ATOM 812 CB TRP A 98 -2.271 -16.445 23.053 1.00 17.58 C ATOM 813 CG TRP A 98 -1.390 -15.594 23.963 1.00 17.46 C ATOM 814 CD1 TRP A 98 -0.741 -14.431 23.654 1.00 17.22 C ATOM 815 CD2 TRP A 98 -1.159 -15.842 25.347 1.00 16.60 C ATOM 816 NE1 TRP A 98 -0.076 -13.946 24.787 1.00 16.80 N ATOM 817 CE2 TRP A 98 -0.319 -14.804 25.829 1.00 17.90 C ATOM 818 CE3 TRP A 98 -1.547 -16.872 26.220 1.00 19.15 C ATOM 819 CZ2 TRP A 98 0.138 -14.769 27.158 1.00 17.44 C ATOM 820 CZ3 TRP A 98 -1.092 -16.836 27.538 1.00 17.89 C ATOM 821 CH2 TRP A 98 -0.249 -15.770 27.986 1.00 16.03 C ATOM 0 H TRP A 98 -3.094 -14.522 21.764 1.00 16.87 H new ATOM 0 HA TRP A 98 -1.149 -16.148 21.333 1.00 16.68 H new ATOM 0 HB2 TRP A 98 -3.199 -16.272 23.276 1.00 17.58 H new ATOM 0 HB3 TRP A 98 -2.102 -17.380 23.249 1.00 17.58 H new ATOM 0 HD1 TRP A 98 -0.741 -14.024 22.818 1.00 17.22 H new ATOM 0 HE1 TRP A 98 0.403 -13.232 24.823 1.00 16.80 H new ATOM 0 HE3 TRP A 98 -2.095 -17.563 25.925 1.00 19.15 H new ATOM 0 HZ2 TRP A 98 0.688 -14.082 27.459 1.00 17.44 H new ATOM 0 HZ3 TRP A 98 -1.338 -17.510 28.130 1.00 17.89 H new ATOM 0 HH2 TRP A 98 0.041 -15.764 28.870 1.00 16.03 H new ATOM 822 N ARG A 99 -4.035 -17.437 20.778 1.00 16.53 N ATOM 823 CA ARG A 99 -4.754 -18.623 20.321 1.00 18.00 C ATOM 824 C ARG A 99 -5.199 -18.571 18.857 1.00 18.62 C ATOM 825 O ARG A 99 -5.479 -19.612 18.226 1.00 18.00 O ATOM 826 CB ARG A 99 -5.989 -18.838 21.193 1.00 18.04 C ATOM 827 CG ARG A 99 -5.679 -19.155 22.683 1.00 17.97 C ATOM 828 CD ARG A 99 -4.750 -20.383 22.863 1.00 19.12 C ATOM 829 NE ARG A 99 -5.193 -21.535 22.075 1.00 20.09 N ATOM 830 CZ ARG A 99 -6.251 -22.275 22.359 1.00 20.14 C ATOM 831 NH1 ARG A 99 -6.996 -22.010 23.449 1.00 16.90 N ATOM 832 NH2 ARG A 99 -6.556 -23.303 21.558 1.00 24.20 N ATOM 0 H ARG A 99 -4.535 -16.763 20.966 1.00 16.53 H new ATOM 0 HA ARG A 99 -4.123 -19.356 20.396 1.00 18.00 H new ATOM 0 HB2 ARG A 99 -6.542 -18.042 21.152 1.00 18.04 H new ATOM 0 HB3 ARG A 99 -6.511 -19.566 20.821 1.00 18.04 H new ATOM 0 HG2 ARG A 99 -5.265 -18.380 23.094 1.00 17.97 H new ATOM 0 HG3 ARG A 99 -6.512 -19.314 23.154 1.00 17.97 H new ATOM 0 HD2 ARG A 99 -3.847 -20.144 22.603 1.00 19.12 H new ATOM 0 HD3 ARG A 99 -4.719 -20.628 23.801 1.00 19.12 H new ATOM 0 HE ARG A 99 -4.733 -21.745 21.379 1.00 20.09 H new ATOM 0 HH11 ARG A 99 -6.785 -21.356 23.966 1.00 16.90 H new ATOM 0 HH12 ARG A 99 -7.683 -22.495 23.628 1.00 16.90 H new ATOM 0 HH21 ARG A 99 -6.067 -23.473 20.872 1.00 24.20 H new ATOM 0 HH22 ARG A 99 -7.241 -23.793 21.730 1.00 24.20 H new ATOM 833 N ALA A 100 -5.245 -17.378 18.309 1.00 17.87 N ATOM 834 CA ALA A 100 -5.876 -17.199 16.980 1.00 18.58 C ATOM 835 C ALA A 100 -5.374 -15.962 16.219 1.00 19.22 C ATOM 836 O ALA A 100 -6.153 -15.095 15.780 1.00 19.75 O ATOM 837 CB ALA A 100 -7.448 -17.191 17.134 1.00 18.71 C ATOM 0 H ALA A 100 -4.930 -16.661 18.665 1.00 17.87 H new ATOM 0 HA ALA A 100 -5.610 -17.955 16.433 1.00 18.58 H new ATOM 0 HB1 ALA A 100 -7.858 -17.074 16.263 1.00 18.71 H new ATOM 0 HB2 ALA A 100 -7.740 -18.033 17.518 1.00 18.71 H new ATOM 0 HB3 ALA A 100 -7.713 -16.462 17.716 1.00 18.71 H new ATOM 838 N TRP A 101 -4.059 -15.866 16.063 1.00 20.22 N ATOM 839 CA TRP A 101 -3.459 -14.751 15.316 1.00 20.53 C ATOM 840 C TRP A 101 -3.959 -14.826 13.887 1.00 21.06 C ATOM 841 O TRP A 101 -3.710 -15.814 13.253 1.00 21.01 O ATOM 842 CB TRP A 101 -1.935 -14.909 15.307 1.00 19.58 C ATOM 843 CG TRP A 101 -1.189 -13.887 14.516 1.00 20.50 C ATOM 844 CD1 TRP A 101 -1.198 -13.738 13.135 1.00 21.01 C ATOM 845 CD2 TRP A 101 -0.252 -12.896 15.009 1.00 20.62 C ATOM 846 NE1 TRP A 101 -0.356 -12.715 12.760 1.00 21.12 N ATOM 847 CE2 TRP A 101 0.227 -12.176 13.884 1.00 22.48 C ATOM 848 CE3 TRP A 101 0.219 -12.550 16.280 1.00 20.48 C ATOM 849 CZ2 TRP A 101 1.166 -11.127 14.003 1.00 20.90 C ATOM 850 CZ3 TRP A 101 1.141 -11.494 16.393 1.00 19.67 C ATOM 851 CH2 TRP A 101 1.618 -10.825 15.265 1.00 20.91 C ATOM 0 H TRP A 101 -3.493 -16.431 16.379 1.00 20.22 H new ATOM 0 HA TRP A 101 -3.697 -13.905 15.725 1.00 20.53 H new ATOM 0 HB2 TRP A 101 -1.617 -14.882 16.223 1.00 19.58 H new ATOM 0 HB3 TRP A 101 -1.718 -15.788 14.957 1.00 19.58 H new ATOM 0 HD1 TRP A 101 -1.701 -14.255 12.548 1.00 21.01 H new ATOM 0 HE1 TRP A 101 -0.217 -12.455 11.952 1.00 21.12 H new ATOM 0 HE3 TRP A 101 -0.072 -13.009 17.035 1.00 20.48 H new ATOM 0 HZ2 TRP A 101 1.466 -10.660 13.257 1.00 20.90 H new ATOM 0 HZ3 TRP A 101 1.439 -11.237 17.236 1.00 19.67 H new ATOM 0 HH2 TRP A 101 2.258 -10.158 15.370 1.00 20.91 H new ATOM 852 N PRO A 102 -4.660 -13.782 13.398 1.00 22.06 N ATOM 853 CA PRO A 102 -5.167 -13.804 12.033 1.00 23.40 C ATOM 854 C PRO A 102 -4.060 -13.574 11.003 1.00 24.68 C ATOM 855 O PRO A 102 -3.279 -12.641 11.129 1.00 25.52 O ATOM 856 CB PRO A 102 -6.187 -12.664 12.030 1.00 23.13 C ATOM 857 CG PRO A 102 -5.668 -11.704 13.034 1.00 22.81 C ATOM 858 CD PRO A 102 -5.056 -12.549 14.109 1.00 22.11 C ATOM 0 HA PRO A 102 -5.548 -14.661 11.786 1.00 23.40 H new ATOM 0 HB2 PRO A 102 -6.258 -12.255 11.153 1.00 23.13 H new ATOM 0 HB3 PRO A 102 -7.072 -12.981 12.268 1.00 23.13 H new ATOM 0 HG2 PRO A 102 -5.012 -11.107 12.641 1.00 22.81 H new ATOM 0 HG3 PRO A 102 -6.380 -11.149 13.388 1.00 22.81 H new ATOM 0 HD2 PRO A 102 -4.292 -12.111 14.516 1.00 22.11 H new ATOM 0 HD3 PRO A 102 -5.689 -12.735 14.820 1.00 22.11 H new ATOM 859 N THR A 103 -4.004 -14.410 9.988 1.00 26.03 N ATOM 860 CA THR A 103 -3.042 -14.206 8.926 1.00 28.45 C ATOM 861 C THR A 103 -3.704 -13.323 7.855 1.00 29.90 C ATOM 862 O THR A 103 -4.922 -13.197 7.848 1.00 29.98 O ATOM 863 CB THR A 103 -2.596 -15.528 8.340 1.00 28.43 C ATOM 864 OG1 THR A 103 -3.641 -16.056 7.499 1.00 29.72 O ATOM 865 CG2 THR A 103 -2.292 -16.520 9.435 1.00 28.76 C ATOM 0 H THR A 103 -4.510 -15.099 9.893 1.00 26.03 H new ATOM 0 HA THR A 103 -2.248 -13.769 9.273 1.00 28.45 H new ATOM 0 HB THR A 103 -1.791 -15.380 7.819 1.00 28.43 H new ATOM 0 HG1 THR A 103 -3.398 -16.022 6.696 1.00 29.72 H new ATOM 0 HG21 THR A 103 -2.008 -17.360 9.041 1.00 28.76 H new ATOM 0 HG22 THR A 103 -1.584 -16.172 9.999 1.00 28.76 H new ATOM 0 HG23 THR A 103 -3.088 -16.667 9.969 1.00 28.76 H new ATOM 866 N PRO A 104 -2.909 -12.705 6.960 1.00 30.91 N ATOM 867 CA PRO A 104 -3.555 -11.840 5.964 1.00 32.67 C ATOM 868 C PRO A 104 -4.488 -12.604 5.004 1.00 34.45 C ATOM 869 O PRO A 104 -5.382 -11.988 4.411 1.00 36.02 O ATOM 870 CB PRO A 104 -2.371 -11.233 5.186 1.00 32.65 C ATOM 871 CG PRO A 104 -1.154 -11.468 6.040 1.00 31.67 C ATOM 872 CD PRO A 104 -1.440 -12.729 6.814 1.00 31.18 C ATOM 0 HA PRO A 104 -4.128 -11.184 6.391 1.00 32.67 H new ATOM 0 HB2 PRO A 104 -2.273 -11.654 4.318 1.00 32.65 H new ATOM 0 HB3 PRO A 104 -2.508 -10.286 5.028 1.00 32.65 H new ATOM 0 HG2 PRO A 104 -0.358 -11.567 5.494 1.00 31.67 H new ATOM 0 HG3 PRO A 104 -0.997 -10.720 6.637 1.00 31.67 H new ATOM 0 HD2 PRO A 104 -1.140 -13.519 6.337 1.00 31.18 H new ATOM 0 HD3 PRO A 104 -0.994 -12.731 7.675 1.00 31.18 H new ATOM 873 N ASP A 105 -4.303 -13.918 4.884 1.00 35.61 N ATOM 874 CA ASP A 105 -5.078 -14.750 3.962 1.00 37.18 C ATOM 875 C ASP A 105 -6.119 -15.651 4.638 1.00 36.94 C ATOM 876 O ASP A 105 -6.406 -16.753 4.155 1.00 37.83 O ATOM 877 CB ASP A 105 -4.124 -15.595 3.108 1.00 38.24 C ATOM 878 CG ASP A 105 -3.524 -16.773 3.883 1.00 41.72 C ATOM 879 OD1 ASP A 105 -3.131 -16.601 5.064 1.00 43.95 O ATOM 880 OD2 ASP A 105 -3.461 -17.886 3.301 1.00 47.49 O ATOM 0 H ASP A 105 -3.719 -14.356 5.339 1.00 35.61 H new ATOM 0 HA ASP A 105 -5.587 -14.137 3.409 1.00 37.18 H new ATOM 0 HB2 ASP A 105 -4.601 -15.932 2.333 1.00 38.24 H new ATOM 0 HB3 ASP A 105 -3.407 -15.032 2.777 1.00 38.24 H new ATOM 881 N GLY A 106 -6.665 -15.196 5.758 1.00 36.53 N ATOM 882 CA GLY A 106 -7.832 -15.818 6.353 1.00 35.68 C ATOM 883 C GLY A 106 -7.641 -16.983 7.303 1.00 34.97 C ATOM 884 O GLY A 106 -8.626 -17.568 7.749 1.00 36.17 O ATOM 0 H GLY A 106 -6.367 -14.517 6.193 1.00 36.53 H new ATOM 0 HA2 GLY A 106 -8.320 -15.129 6.830 1.00 35.68 H new ATOM 0 HA3 GLY A 106 -8.403 -16.121 5.630 1.00 35.68 H new ATOM 885 N ARG A 107 -6.400 -17.334 7.624 1.00 33.45 N ATOM 886 CA ARG A 107 -6.166 -18.400 8.589 1.00 31.70 C ATOM 887 C ARG A 107 -5.955 -17.809 9.984 1.00 29.65 C ATOM 888 O ARG A 107 -5.871 -16.592 10.141 1.00 28.88 O ATOM 889 CB ARG A 107 -4.974 -19.254 8.186 1.00 32.83 C ATOM 890 CG ARG A 107 -5.114 -19.929 6.812 1.00 36.79 C ATOM 891 CD ARG A 107 -3.786 -19.851 6.065 1.00 43.29 C ATOM 892 NE ARG A 107 -2.696 -20.273 6.945 1.00 48.12 N ATOM 893 CZ ARG A 107 -1.533 -19.644 7.072 1.00 49.20 C ATOM 894 NH1 ARG A 107 -1.276 -18.541 6.374 1.00 49.29 N ATOM 895 NH2 ARG A 107 -0.628 -20.121 7.919 1.00 50.93 N ATOM 0 H ARG A 107 -5.690 -16.973 7.300 1.00 33.45 H new ATOM 0 HA ARG A 107 -6.949 -18.972 8.605 1.00 31.70 H new ATOM 0 HB2 ARG A 107 -4.179 -18.699 8.182 1.00 32.83 H new ATOM 0 HB3 ARG A 107 -4.838 -19.939 8.859 1.00 32.83 H new ATOM 0 HG2 ARG A 107 -5.380 -20.855 6.922 1.00 36.79 H new ATOM 0 HG3 ARG A 107 -5.811 -19.493 6.297 1.00 36.79 H new ATOM 0 HD2 ARG A 107 -3.815 -20.417 5.278 1.00 43.29 H new ATOM 0 HD3 ARG A 107 -3.631 -18.944 5.757 1.00 43.29 H new ATOM 0 HE ARG A 107 -2.818 -20.982 7.416 1.00 48.12 H new ATOM 0 HH11 ARG A 107 -1.866 -18.227 5.833 1.00 49.29 H new ATOM 0 HH12 ARG A 107 -0.520 -18.142 6.464 1.00 49.29 H new ATOM 0 HH21 ARG A 107 -0.799 -20.829 8.377 1.00 50.93 H new ATOM 0 HH22 ARG A 107 0.129 -19.722 8.010 1.00 50.93 H new ATOM 896 N HIS A 108 -5.897 -18.673 10.993 1.00 28.17 N ATOM 897 CA HIS A 108 -5.585 -18.242 12.342 1.00 26.68 C ATOM 898 C HIS A 108 -4.539 -19.187 12.890 1.00 26.58 C ATOM 899 O HIS A 108 -4.665 -20.410 12.737 1.00 25.95 O ATOM 900 CB HIS A 108 -6.816 -18.227 13.229 1.00 27.54 C ATOM 901 CG HIS A 108 -7.814 -17.201 12.816 1.00 28.89 C ATOM 902 ND1 HIS A 108 -8.701 -17.413 11.781 1.00 34.15 N ATOM 903 CD2 HIS A 108 -8.034 -15.937 13.253 1.00 30.89 C ATOM 904 CE1 HIS A 108 -9.443 -16.331 11.618 1.00 33.05 C ATOM 905 NE2 HIS A 108 -9.051 -15.417 12.488 1.00 32.20 N ATOM 0 H HIS A 108 -6.037 -19.518 10.912 1.00 28.17 H new ATOM 0 HA HIS A 108 -5.251 -17.332 12.325 1.00 26.68 H new ATOM 0 HB2 HIS A 108 -7.233 -19.103 13.211 1.00 27.54 H new ATOM 0 HB3 HIS A 108 -6.547 -18.059 14.146 1.00 27.54 H new ATOM 0 HD2 HIS A 108 -7.582 -15.503 13.941 1.00 30.89 H new ATOM 0 HE1 HIS A 108 -10.126 -16.230 10.995 1.00 33.05 H new ATOM 0 HE2 HIS A 108 -9.379 -14.626 12.563 1.00 32.20 H new ATOM 906 N ILE A 109 -3.519 -18.620 13.516 1.00 23.72 N ATOM 907 CA ILE A 109 -2.401 -19.407 14.036 1.00 22.87 C ATOM 908 C ILE A 109 -2.535 -19.511 15.549 1.00 21.03 C ATOM 909 O ILE A 109 -2.648 -18.487 16.223 1.00 20.45 O ATOM 910 CB ILE A 109 -1.032 -18.737 13.716 1.00 23.18 C ATOM 911 CG1 ILE A 109 -0.798 -18.636 12.190 1.00 26.14 C ATOM 912 CG2 ILE A 109 0.105 -19.493 14.394 1.00 22.59 C ATOM 913 CD1 ILE A 109 -1.255 -19.857 11.368 1.00 31.49 C ATOM 0 H ILE A 109 -3.451 -17.774 13.653 1.00 23.72 H new ATOM 0 HA ILE A 109 -2.427 -20.281 13.616 1.00 22.87 H new ATOM 0 HB ILE A 109 -1.051 -17.834 14.069 1.00 23.18 H new ATOM 0 HG12 ILE A 109 -1.261 -17.851 11.859 1.00 26.14 H new ATOM 0 HG13 ILE A 109 0.149 -18.495 12.032 1.00 26.14 H new ATOM 0 HG21 ILE A 109 0.949 -19.064 14.185 1.00 22.59 H new ATOM 0 HG22 ILE A 109 -0.031 -19.488 15.354 1.00 22.59 H new ATOM 0 HG23 ILE A 109 0.121 -20.409 14.075 1.00 22.59 H new ATOM 0 HD11 ILE A 109 -1.069 -19.703 10.429 1.00 31.49 H new ATOM 0 HD12 ILE A 109 -0.776 -20.646 11.667 1.00 31.49 H new ATOM 0 HD13 ILE A 109 -2.208 -19.992 11.491 1.00 31.49 H new ATOM 914 N ASP A 110 -2.559 -20.736 16.077 1.00 20.23 N ATOM 915 CA ASP A 110 -2.660 -20.945 17.507 1.00 19.34 C ATOM 916 C ASP A 110 -1.218 -20.996 18.010 1.00 19.15 C ATOM 917 O ASP A 110 -0.549 -22.033 17.920 1.00 19.15 O ATOM 918 CB ASP A 110 -3.414 -22.236 17.820 1.00 19.79 C ATOM 919 CG ASP A 110 -3.667 -22.422 19.309 1.00 21.73 C ATOM 920 OD1 ASP A 110 -2.907 -21.865 20.133 1.00 21.84 O ATOM 921 OD2 ASP A 110 -4.615 -23.159 19.661 1.00 24.23 O ATOM 0 H ASP A 110 -2.517 -21.460 15.614 1.00 20.23 H new ATOM 0 HA ASP A 110 -3.161 -20.238 17.943 1.00 19.34 H new ATOM 0 HB2 ASP A 110 -4.262 -22.233 17.350 1.00 19.79 H new ATOM 0 HB3 ASP A 110 -2.907 -22.992 17.485 1.00 19.79 H new ATOM 922 N GLN A 111 -0.733 -19.872 18.512 1.00 18.85 N ATOM 923 CA GLN A 111 0.674 -19.820 18.921 1.00 18.11 C ATOM 924 C GLN A 111 0.958 -20.704 20.100 1.00 18.95 C ATOM 925 O GLN A 111 2.113 -21.183 20.281 1.00 19.05 O ATOM 926 CB GLN A 111 1.124 -18.403 19.234 1.00 17.70 C ATOM 927 CG GLN A 111 1.008 -17.466 18.019 1.00 16.05 C ATOM 928 CD GLN A 111 1.562 -16.115 18.363 1.00 19.41 C ATOM 929 OE1 GLN A 111 2.784 -15.946 18.384 1.00 18.74 O ATOM 930 NE2 GLN A 111 0.697 -15.160 18.660 1.00 18.14 N ATOM 0 H GLN A 111 -1.180 -19.146 18.625 1.00 18.85 H new ATOM 0 HA GLN A 111 1.180 -20.149 18.161 1.00 18.11 H new ATOM 0 HB2 GLN A 111 0.589 -18.051 19.963 1.00 17.70 H new ATOM 0 HB3 GLN A 111 2.044 -18.419 19.540 1.00 17.70 H new ATOM 0 HG2 GLN A 111 1.490 -17.840 17.265 1.00 16.05 H new ATOM 0 HG3 GLN A 111 0.080 -17.385 17.750 1.00 16.05 H new ATOM 0 HE21 GLN A 111 -0.147 -15.321 18.633 1.00 18.14 H new ATOM 0 HE22 GLN A 111 0.979 -14.378 18.880 1.00 18.14 H new ATOM 931 N ILE A 112 -0.074 -20.935 20.904 1.00 17.57 N ATOM 932 CA ILE A 112 0.132 -21.721 22.107 1.00 17.76 C ATOM 933 C ILE A 112 0.343 -23.188 21.794 1.00 18.08 C ATOM 934 O ILE A 112 1.276 -23.791 22.301 1.00 17.95 O ATOM 935 CB ILE A 112 -1.010 -21.534 23.126 1.00 18.13 C ATOM 936 CG1 ILE A 112 -1.105 -20.050 23.525 1.00 17.37 C ATOM 937 CG2 ILE A 112 -0.735 -22.461 24.360 1.00 18.71 C ATOM 938 CD1 ILE A 112 0.210 -19.423 24.110 1.00 18.15 C ATOM 0 H ILE A 112 -0.877 -20.655 20.775 1.00 17.57 H new ATOM 0 HA ILE A 112 0.945 -21.387 22.517 1.00 17.76 H new ATOM 0 HB ILE A 112 -1.864 -21.785 22.741 1.00 18.13 H new ATOM 0 HG12 ILE A 112 -1.370 -19.538 22.745 1.00 17.37 H new ATOM 0 HG13 ILE A 112 -1.812 -19.952 24.182 1.00 17.37 H new ATOM 0 HG21 ILE A 112 -1.447 -22.354 25.010 1.00 18.71 H new ATOM 0 HG22 ILE A 112 -0.700 -23.386 24.069 1.00 18.71 H new ATOM 0 HG23 ILE A 112 0.112 -22.218 24.765 1.00 18.71 H new ATOM 0 HD11 ILE A 112 0.054 -18.491 24.331 1.00 18.15 H new ATOM 0 HD12 ILE A 112 0.471 -19.905 24.910 1.00 18.15 H new ATOM 0 HD13 ILE A 112 0.919 -19.484 23.451 1.00 18.15 H new ATOM 939 N THR A 113 -0.522 -23.769 20.949 1.00 17.84 N ATOM 940 CA THR A 113 -0.334 -25.145 20.556 1.00 19.02 C ATOM 941 C THR A 113 0.922 -25.313 19.699 1.00 19.49 C ATOM 942 O THR A 113 1.524 -26.384 19.737 1.00 19.60 O ATOM 943 CB THR A 113 -1.563 -25.779 19.852 1.00 18.77 C ATOM 944 OG1 THR A 113 -1.843 -25.093 18.632 1.00 22.43 O ATOM 945 CG2 THR A 113 -2.763 -25.714 20.735 1.00 18.13 C ATOM 0 H THR A 113 -1.208 -23.381 20.605 1.00 17.84 H new ATOM 0 HA THR A 113 -0.221 -25.632 21.387 1.00 19.02 H new ATOM 0 HB THR A 113 -1.355 -26.707 19.662 1.00 18.77 H new ATOM 0 HG1 THR A 113 -2.583 -25.350 18.329 1.00 22.43 H new ATOM 0 HG21 THR A 113 -3.521 -26.114 20.281 1.00 18.13 H new ATOM 0 HG22 THR A 113 -2.587 -26.198 21.557 1.00 18.13 H new ATOM 0 HG23 THR A 113 -2.963 -24.788 20.942 1.00 18.13 H new ATOM 946 N THR A 114 1.305 -24.275 18.944 1.00 19.51 N ATOM 947 CA THR A 114 2.574 -24.281 18.203 1.00 20.24 C ATOM 948 C THR A 114 3.737 -24.433 19.181 1.00 19.36 C ATOM 949 O THR A 114 4.565 -25.300 19.002 1.00 19.17 O ATOM 950 CB THR A 114 2.747 -22.988 17.394 1.00 21.25 C ATOM 951 OG1 THR A 114 1.751 -22.973 16.349 1.00 23.26 O ATOM 952 CG2 THR A 114 4.161 -22.903 16.760 1.00 22.08 C ATOM 0 H THR A 114 0.842 -23.556 18.848 1.00 19.51 H new ATOM 0 HA THR A 114 2.563 -25.028 17.585 1.00 20.24 H new ATOM 0 HB THR A 114 2.641 -22.227 17.986 1.00 21.25 H new ATOM 0 HG1 THR A 114 1.016 -22.716 16.665 1.00 23.26 H new ATOM 0 HG21 THR A 114 4.241 -22.078 16.256 1.00 22.08 H new ATOM 0 HG22 THR A 114 4.832 -22.920 17.461 1.00 22.08 H new ATOM 0 HG23 THR A 114 4.295 -23.658 16.166 1.00 22.08 H new ATOM 953 N VAL A 115 3.788 -23.587 20.212 1.00 20.27 N ATOM 954 CA VAL A 115 4.884 -23.628 21.192 1.00 20.35 C ATOM 955 C VAL A 115 4.927 -24.968 21.930 1.00 20.72 C ATOM 956 O VAL A 115 5.996 -25.527 22.144 1.00 20.19 O ATOM 957 CB VAL A 115 4.754 -22.435 22.174 1.00 20.97 C ATOM 958 CG1 VAL A 115 5.324 -22.745 23.557 1.00 23.95 C ATOM 959 CG2 VAL A 115 5.380 -21.182 21.531 1.00 21.16 C ATOM 0 H VAL A 115 3.198 -22.980 20.364 1.00 20.27 H new ATOM 0 HA VAL A 115 5.727 -23.546 20.719 1.00 20.35 H new ATOM 0 HB VAL A 115 3.813 -22.261 22.332 1.00 20.97 H new ATOM 0 HG11 VAL A 115 5.219 -21.971 24.132 1.00 23.95 H new ATOM 0 HG12 VAL A 115 4.850 -23.499 23.941 1.00 23.95 H new ATOM 0 HG13 VAL A 115 6.266 -22.963 23.478 1.00 23.95 H new ATOM 0 HG21 VAL A 115 5.302 -20.432 22.141 1.00 21.16 H new ATOM 0 HG22 VAL A 115 6.317 -21.349 21.342 1.00 21.16 H new ATOM 0 HG23 VAL A 115 4.916 -20.976 20.704 1.00 21.16 H new ATOM 960 N LEU A 116 3.762 -25.461 22.343 1.00 20.37 N ATOM 961 CA LEU A 116 3.663 -26.786 22.944 1.00 22.20 C ATOM 962 C LEU A 116 4.286 -27.844 22.033 1.00 21.22 C ATOM 963 O LEU A 116 5.093 -28.670 22.459 1.00 20.03 O ATOM 964 CB LEU A 116 2.193 -27.121 23.225 1.00 23.33 C ATOM 965 CG LEU A 116 1.943 -28.413 23.998 1.00 27.07 C ATOM 966 CD1 LEU A 116 2.086 -28.113 25.509 1.00 28.56 C ATOM 967 CD2 LEU A 116 0.551 -29.041 23.663 1.00 27.30 C ATOM 0 H LEU A 116 3.014 -25.041 22.283 1.00 20.37 H new ATOM 0 HA LEU A 116 4.153 -26.784 23.781 1.00 22.20 H new ATOM 0 HB2 LEU A 116 1.800 -26.386 23.721 1.00 23.33 H new ATOM 0 HB3 LEU A 116 1.723 -27.175 22.378 1.00 23.33 H new ATOM 0 HG LEU A 116 2.600 -29.075 23.733 1.00 27.07 H new ATOM 0 HD11 LEU A 116 1.930 -28.925 26.016 1.00 28.56 H new ATOM 0 HD12 LEU A 116 2.981 -27.785 25.691 1.00 28.56 H new ATOM 0 HD13 LEU A 116 1.437 -27.440 25.768 1.00 28.56 H new ATOM 0 HD21 LEU A 116 0.433 -29.857 24.174 1.00 27.30 H new ATOM 0 HD22 LEU A 116 -0.151 -28.412 23.892 1.00 27.30 H new ATOM 0 HD23 LEU A 116 0.507 -29.244 22.715 1.00 27.30 H new ATOM 968 N ASN A 117 3.908 -27.815 20.758 1.00 20.78 N ATOM 969 CA ASN A 117 4.421 -28.784 19.815 1.00 20.19 C ATOM 970 C ASN A 117 5.944 -28.647 19.682 1.00 20.01 C ATOM 971 O ASN A 117 6.663 -29.622 19.602 1.00 20.46 O ATOM 972 CB ASN A 117 3.739 -28.561 18.472 1.00 20.49 C ATOM 973 CG ASN A 117 4.018 -29.676 17.496 1.00 24.50 C ATOM 974 OD1 ASN A 117 3.908 -30.925 17.945 1.00 31.69 O flip ATOM 975 ND2 ASN A 117 4.354 -29.409 16.346 1.00 23.59 N flip ATOM 0 H ASN A 117 3.358 -27.243 20.426 1.00 20.78 H new ATOM 0 HA ASN A 117 4.233 -29.682 20.129 1.00 20.19 H new ATOM 0 HB2 ASN A 117 2.781 -28.484 18.607 1.00 20.49 H new ATOM 0 HB3 ASN A 117 4.041 -27.720 18.094 1.00 20.49 H new ATOM 0 HD21 ASN A 117 4.413 -28.589 16.095 1.00 23.59 H new ATOM 0 HD22 ASN A 117 4.530 -30.042 15.791 1.00 23.59 H new ATOM 976 N GLN A 118 6.437 -27.423 19.757 1.00 19.68 N ATOM 977 CA GLN A 118 7.864 -27.188 19.635 1.00 18.96 C ATOM 978 C GLN A 118 8.599 -27.671 20.851 1.00 18.74 C ATOM 979 O GLN A 118 9.645 -28.303 20.740 1.00 20.56 O ATOM 980 CB GLN A 118 8.141 -25.695 19.429 1.00 19.39 C ATOM 981 CG GLN A 118 7.860 -25.230 18.029 1.00 18.02 C ATOM 982 CD GLN A 118 8.024 -23.705 17.940 1.00 18.55 C ATOM 983 OE1 GLN A 118 7.332 -22.959 18.616 1.00 22.41 O ATOM 984 NE2 GLN A 118 8.994 -23.265 17.169 1.00 20.28 N ATOM 0 H GLN A 118 5.964 -26.715 19.878 1.00 19.68 H new ATOM 0 HA GLN A 118 8.181 -27.685 18.865 1.00 18.96 H new ATOM 0 HB2 GLN A 118 7.599 -25.183 20.049 1.00 19.39 H new ATOM 0 HB3 GLN A 118 9.069 -25.511 19.645 1.00 19.39 H new ATOM 0 HG2 GLN A 118 8.465 -25.665 17.408 1.00 18.02 H new ATOM 0 HG3 GLN A 118 6.959 -25.482 17.771 1.00 18.02 H new ATOM 0 HE21 GLN A 118 9.461 -23.820 16.707 1.00 20.28 H new ATOM 0 HE22 GLN A 118 9.161 -22.422 17.127 1.00 20.28 H new ATOM 985 N LEU A 119 8.069 -27.384 22.025 1.00 18.86 N ATOM 986 CA LEU A 119 8.744 -27.802 23.247 1.00 18.57 C ATOM 987 C LEU A 119 8.825 -29.308 23.365 1.00 19.79 C ATOM 988 O LEU A 119 9.819 -29.825 23.885 1.00 19.54 O ATOM 989 CB LEU A 119 8.010 -27.245 24.462 1.00 18.76 C ATOM 990 CG LEU A 119 8.197 -25.738 24.575 1.00 19.03 C ATOM 991 CD1 LEU A 119 7.294 -25.180 25.688 1.00 20.79 C ATOM 992 CD2 LEU A 119 9.699 -25.404 24.814 1.00 19.29 C ATOM 0 H LEU A 119 7.332 -26.956 22.141 1.00 18.86 H new ATOM 0 HA LEU A 119 9.648 -27.453 23.210 1.00 18.57 H new ATOM 0 HB2 LEU A 119 7.065 -27.452 24.395 1.00 18.76 H new ATOM 0 HB3 LEU A 119 8.338 -27.675 25.267 1.00 18.76 H new ATOM 0 HG LEU A 119 7.934 -25.312 23.745 1.00 19.03 H new ATOM 0 HD11 LEU A 119 7.418 -24.220 25.755 1.00 20.79 H new ATOM 0 HD12 LEU A 119 6.366 -25.372 25.479 1.00 20.79 H new ATOM 0 HD13 LEU A 119 7.527 -25.595 26.533 1.00 20.79 H new ATOM 0 HD21 LEU A 119 9.810 -24.443 24.885 1.00 19.29 H new ATOM 0 HD22 LEU A 119 9.998 -25.825 25.635 1.00 19.29 H new ATOM 0 HD23 LEU A 119 10.227 -25.736 24.071 1.00 19.29 H new ATOM 993 N LYS A 120 7.789 -30.000 22.854 1.00 19.79 N ATOM 994 CA LYS A 120 7.727 -31.460 22.913 1.00 20.34 C ATOM 995 C LYS A 120 8.552 -32.107 21.798 1.00 20.37 C ATOM 996 O LYS A 120 9.249 -33.059 22.023 1.00 20.34 O ATOM 997 CB LYS A 120 6.293 -31.958 22.787 1.00 19.74 C ATOM 998 CG LYS A 120 5.399 -31.655 23.977 1.00 20.56 C ATOM 999 CD LYS A 120 3.965 -31.931 23.627 1.00 22.76 C ATOM 1000 CE LYS A 120 3.057 -31.967 24.831 1.00 27.72 C ATOM 1001 NZ LYS A 120 1.664 -32.187 24.298 1.00 29.64 N ATOM 0 H LYS A 120 7.113 -29.633 22.469 1.00 19.79 H new ATOM 0 HA LYS A 120 8.092 -31.712 23.776 1.00 20.34 H new ATOM 0 HB2 LYS A 120 5.897 -31.564 21.994 1.00 19.74 H new ATOM 0 HB3 LYS A 120 6.310 -32.918 22.649 1.00 19.74 H new ATOM 0 HG2 LYS A 120 5.664 -32.197 24.736 1.00 20.56 H new ATOM 0 HG3 LYS A 120 5.502 -30.727 24.241 1.00 20.56 H new ATOM 0 HD2 LYS A 120 3.651 -31.249 23.012 1.00 22.76 H new ATOM 0 HD3 LYS A 120 3.909 -32.780 23.161 1.00 22.76 H new ATOM 0 HE2 LYS A 120 3.313 -32.680 25.437 1.00 27.72 H new ATOM 0 HE3 LYS A 120 3.110 -31.137 25.330 1.00 27.72 H new ATOM 0 HZ1 LYS A 120 1.069 -31.933 24.909 1.00 29.64 H new ATOM 0 HZ2 LYS A 120 1.551 -31.708 23.556 1.00 29.64 H new ATOM 0 HZ3 LYS A 120 1.549 -33.050 24.114 1.00 29.64 H new ATOM 1002 N ASN A 121 8.451 -31.581 20.592 1.00 20.69 N ATOM 1003 CA ASN A 121 8.988 -32.292 19.426 1.00 21.48 C ATOM 1004 C ASN A 121 10.194 -31.641 18.767 1.00 22.57 C ATOM 1005 O ASN A 121 10.882 -32.261 17.942 1.00 22.76 O ATOM 1006 CB ASN A 121 7.840 -32.507 18.431 1.00 21.81 C ATOM 1007 CG ASN A 121 6.764 -33.410 19.016 1.00 21.71 C ATOM 1008 OD1 ASN A 121 7.068 -34.480 19.518 1.00 23.95 O ATOM 1009 ND2 ASN A 121 5.530 -32.954 19.020 1.00 23.83 N ATOM 0 H ASN A 121 8.082 -30.824 20.418 1.00 20.69 H new ATOM 0 HA ASN A 121 9.340 -33.139 19.741 1.00 21.48 H new ATOM 0 HB2 ASN A 121 7.452 -31.651 18.192 1.00 21.81 H new ATOM 0 HB3 ASN A 121 8.186 -32.900 17.614 1.00 21.81 H new ATOM 0 HD21 ASN A 121 4.903 -33.415 19.386 1.00 23.83 H new ATOM 0 HD22 ASN A 121 5.351 -32.195 18.657 1.00 23.83 H new ATOM 1010 N ASP A 122 10.477 -30.402 19.138 1.00 22.56 N ATOM 1011 CA ASP A 122 11.596 -29.680 18.541 1.00 22.01 C ATOM 1012 C ASP A 122 12.179 -28.737 19.562 1.00 21.42 C ATOM 1013 O ASP A 122 12.238 -27.537 19.295 1.00 22.37 O ATOM 1014 CB ASP A 122 11.117 -28.914 17.290 1.00 22.39 C ATOM 1015 CG ASP A 122 12.265 -28.442 16.397 1.00 23.14 C ATOM 1016 OD1 ASP A 122 13.369 -29.028 16.444 1.00 25.95 O ATOM 1017 OD2 ASP A 122 12.050 -27.468 15.638 1.00 25.88 O ATOM 0 H ASP A 122 10.038 -29.960 19.731 1.00 22.56 H new ATOM 0 HA ASP A 122 12.284 -30.306 18.266 1.00 22.01 H new ATOM 0 HB2 ASP A 122 10.527 -29.486 16.774 1.00 22.39 H new ATOM 0 HB3 ASP A 122 10.595 -28.146 17.569 1.00 22.39 H new ATOM 1018 N PRO A 123 12.605 -29.263 20.736 1.00 21.44 N ATOM 1019 CA PRO A 123 12.973 -28.410 21.880 1.00 21.75 C ATOM 1020 C PRO A 123 14.189 -27.527 21.648 1.00 22.21 C ATOM 1021 O PRO A 123 14.319 -26.506 22.312 1.00 22.64 O ATOM 1022 CB PRO A 123 13.240 -29.408 23.013 1.00 21.69 C ATOM 1023 CG PRO A 123 13.598 -30.695 22.284 1.00 22.88 C ATOM 1024 CD PRO A 123 12.730 -30.689 21.071 1.00 21.59 C ATOM 0 HA PRO A 123 12.264 -27.775 22.066 1.00 21.75 H new ATOM 0 HB2 PRO A 123 13.963 -29.110 23.587 1.00 21.69 H new ATOM 0 HB3 PRO A 123 12.460 -29.523 23.577 1.00 21.69 H new ATOM 0 HG2 PRO A 123 14.538 -30.717 22.046 1.00 22.88 H new ATOM 0 HG3 PRO A 123 13.427 -31.474 22.837 1.00 22.88 H new ATOM 0 HD2 PRO A 123 13.130 -31.192 20.344 1.00 21.59 H new ATOM 0 HD3 PRO A 123 11.865 -31.090 21.250 1.00 21.59 H new ATOM 1025 N ASP A 124 15.048 -27.881 20.697 1.00 22.58 N ATOM 1026 CA ASP A 124 16.158 -26.994 20.365 1.00 23.42 C ATOM 1027 C ASP A 124 15.868 -25.908 19.350 1.00 22.96 C ATOM 1028 O ASP A 124 16.782 -25.180 18.954 1.00 24.21 O ATOM 1029 CB ASP A 124 17.392 -27.804 20.020 1.00 23.68 C ATOM 1030 CG ASP A 124 17.856 -28.610 21.197 1.00 26.23 C ATOM 1031 OD1 ASP A 124 17.766 -28.098 22.347 1.00 31.28 O ATOM 1032 OD2 ASP A 124 18.259 -29.763 20.985 1.00 30.17 O ATOM 0 H ASP A 124 15.009 -28.610 20.243 1.00 22.58 H new ATOM 0 HA ASP A 124 16.324 -26.482 21.172 1.00 23.42 H new ATOM 0 HB2 ASP A 124 17.197 -28.395 19.276 1.00 23.68 H new ATOM 0 HB3 ASP A 124 18.102 -27.210 19.731 1.00 23.68 H new ATOM 1033 N SER A 125 14.610 -25.776 18.922 1.00 21.35 N ATOM 1034 CA SER A 125 14.243 -24.651 18.027 1.00 20.32 C ATOM 1035 C SER A 125 14.650 -23.304 18.636 1.00 19.78 C ATOM 1036 O SER A 125 14.449 -23.080 19.833 1.00 19.95 O ATOM 1037 CB SER A 125 12.736 -24.613 17.789 1.00 18.91 C ATOM 1038 OG SER A 125 12.382 -23.453 17.028 1.00 20.26 O ATOM 0 H SER A 125 13.964 -26.306 19.126 1.00 21.35 H new ATOM 0 HA SER A 125 14.713 -24.795 17.191 1.00 20.32 H new ATOM 0 HB2 SER A 125 12.456 -25.414 17.319 1.00 18.91 H new ATOM 0 HB3 SER A 125 12.268 -24.605 18.639 1.00 18.91 H new ATOM 0 HG SER A 125 11.568 -23.281 17.141 1.00 20.26 H new ATOM 1039 N ARG A 126 15.158 -22.385 17.824 1.00 19.58 N ATOM 1040 CA ARG A 126 15.506 -21.057 18.352 1.00 20.72 C ATOM 1041 C ARG A 126 14.414 -20.020 18.129 1.00 19.85 C ATOM 1042 O ARG A 126 14.644 -18.850 18.331 1.00 20.43 O ATOM 1043 CB ARG A 126 16.838 -20.557 17.795 1.00 20.40 C ATOM 1044 CG ARG A 126 17.969 -21.498 18.003 1.00 23.23 C ATOM 1045 CD ARG A 126 19.179 -20.991 17.295 1.00 31.74 C ATOM 1046 NE ARG A 126 20.307 -21.889 17.516 1.00 40.78 N ATOM 1047 CZ ARG A 126 20.763 -22.769 16.624 1.00 45.06 C ATOM 1048 NH1 ARG A 126 20.193 -22.882 15.421 1.00 45.33 N ATOM 1049 NH2 ARG A 126 21.804 -23.538 16.941 1.00 46.82 N ATOM 0 H ARG A 126 15.309 -22.498 16.985 1.00 19.58 H new ATOM 0 HA ARG A 126 15.596 -21.173 19.311 1.00 20.72 H new ATOM 0 HB2 ARG A 126 16.739 -20.390 16.845 1.00 20.40 H new ATOM 0 HB3 ARG A 126 17.054 -19.708 18.211 1.00 20.40 H new ATOM 0 HG2 ARG A 126 18.153 -21.592 18.951 1.00 23.23 H new ATOM 0 HG3 ARG A 126 17.734 -22.379 17.671 1.00 23.23 H new ATOM 0 HD2 ARG A 126 18.998 -20.916 16.345 1.00 31.74 H new ATOM 0 HD3 ARG A 126 19.399 -20.101 17.613 1.00 31.74 H new ATOM 0 HE ARG A 126 20.707 -21.848 18.276 1.00 40.78 H new ATOM 0 HH11 ARG A 126 19.523 -22.384 15.214 1.00 45.33 H new ATOM 0 HH12 ARG A 126 20.496 -23.453 14.854 1.00 45.33 H new ATOM 0 HH21 ARG A 126 22.174 -23.464 17.714 1.00 46.82 H new ATOM 0 HH22 ARG A 126 22.106 -24.109 16.373 1.00 46.82 H new ATOM 1050 N ARG A 127 13.235 -20.467 17.699 1.00 19.95 N ATOM 1051 CA ARG A 127 12.110 -19.587 17.565 1.00 19.68 C ATOM 1052 C ARG A 127 10.887 -20.165 18.252 1.00 19.46 C ATOM 1053 O ARG A 127 9.862 -20.372 17.602 1.00 19.73 O ATOM 1054 CB ARG A 127 11.811 -19.323 16.066 1.00 20.27 C ATOM 1055 CG ARG A 127 11.772 -20.556 15.168 1.00 22.29 C ATOM 1056 CD ARG A 127 10.729 -20.296 14.112 1.00 27.84 C ATOM 1057 NE ARG A 127 9.420 -20.234 14.778 1.00 28.77 N ATOM 1058 CZ ARG A 127 8.260 -20.171 14.138 1.00 33.16 C ATOM 1059 NH1 ARG A 127 7.122 -20.129 14.832 1.00 32.76 N ATOM 1060 NH2 ARG A 127 8.250 -20.169 12.799 1.00 25.87 N ATOM 0 H ARG A 127 13.078 -21.284 17.482 1.00 19.95 H new ATOM 0 HA ARG A 127 12.329 -18.745 17.994 1.00 19.68 H new ATOM 0 HB2 ARG A 127 10.957 -18.868 15.999 1.00 20.27 H new ATOM 0 HB3 ARG A 127 12.484 -18.715 15.722 1.00 20.27 H new ATOM 0 HG2 ARG A 127 12.639 -20.714 14.763 1.00 22.29 H new ATOM 0 HG3 ARG A 127 11.551 -21.348 15.682 1.00 22.29 H new ATOM 0 HD2 ARG A 127 10.914 -19.464 13.649 1.00 27.84 H new ATOM 0 HD3 ARG A 127 10.738 -21.000 13.445 1.00 27.84 H new ATOM 0 HE ARG A 127 9.405 -20.239 15.638 1.00 28.77 H new ATOM 0 HH11 ARG A 127 7.142 -20.143 15.692 1.00 32.76 H new ATOM 0 HH12 ARG A 127 6.368 -20.088 14.420 1.00 32.76 H new ATOM 0 HH21 ARG A 127 8.990 -20.208 12.363 1.00 25.87 H new ATOM 0 HH22 ARG A 127 7.503 -20.128 12.375 1.00 25.87 H new ATOM 1061 N ILE A 128 10.980 -20.453 19.557 1.00 16.94 N ATOM 1062 CA ILE A 128 9.794 -20.917 20.259 1.00 17.27 C ATOM 1063 C ILE A 128 9.167 -19.686 20.867 1.00 17.14 C ATOM 1064 O ILE A 128 9.494 -19.324 21.977 1.00 18.17 O ATOM 1065 CB ILE A 128 10.116 -22.017 21.300 1.00 16.60 C ATOM 1066 CG1 ILE A 128 10.978 -23.092 20.617 1.00 18.73 C ATOM 1067 CG2 ILE A 128 8.807 -22.586 21.943 1.00 17.04 C ATOM 1068 CD1 ILE A 128 11.418 -24.207 21.545 1.00 18.47 C ATOM 0 H ILE A 128 11.694 -20.388 20.032 1.00 16.94 H new ATOM 0 HA ILE A 128 9.172 -21.351 19.654 1.00 17.27 H new ATOM 0 HB ILE A 128 10.623 -21.648 22.040 1.00 16.60 H new ATOM 0 HG12 ILE A 128 10.477 -23.475 19.880 1.00 18.73 H new ATOM 0 HG13 ILE A 128 11.764 -22.670 20.237 1.00 18.73 H new ATOM 0 HG21 ILE A 128 9.036 -23.272 22.590 1.00 17.04 H new ATOM 0 HG22 ILE A 128 8.327 -21.870 22.387 1.00 17.04 H new ATOM 0 HG23 ILE A 128 8.246 -22.969 21.251 1.00 17.04 H new ATOM 0 HD11 ILE A 128 11.955 -24.846 21.051 1.00 18.47 H new ATOM 0 HD12 ILE A 128 11.944 -23.836 22.271 1.00 18.47 H new ATOM 0 HD13 ILE A 128 10.637 -24.653 21.908 1.00 18.47 H new ATOM 1069 N ILE A 129 8.266 -19.047 20.120 1.00 17.12 N ATOM 1070 CA ILE A 129 7.936 -17.688 20.425 1.00 17.69 C ATOM 1071 C ILE A 129 6.446 -17.466 20.406 1.00 18.57 C ATOM 1072 O ILE A 129 5.726 -17.984 19.518 1.00 18.09 O ATOM 1073 CB ILE A 129 8.601 -16.749 19.420 1.00 18.53 C ATOM 1074 CG1 ILE A 129 10.089 -16.621 19.747 1.00 18.07 C ATOM 1075 CG2 ILE A 129 8.014 -15.343 19.466 1.00 18.92 C ATOM 1076 CD1 ILE A 129 10.902 -16.021 18.633 1.00 21.17 C ATOM 0 H ILE A 129 7.850 -19.387 19.448 1.00 17.12 H new ATOM 0 HA ILE A 129 8.263 -17.498 21.318 1.00 17.69 H new ATOM 0 HB ILE A 129 8.452 -17.131 18.541 1.00 18.53 H new ATOM 0 HG12 ILE A 129 10.192 -16.075 20.542 1.00 18.07 H new ATOM 0 HG13 ILE A 129 10.443 -17.499 19.958 1.00 18.07 H new ATOM 0 HG21 ILE A 129 8.464 -14.783 18.814 1.00 18.92 H new ATOM 0 HG22 ILE A 129 7.067 -15.381 19.260 1.00 18.92 H new ATOM 0 HG23 ILE A 129 8.137 -14.970 20.353 1.00 18.92 H new ATOM 0 HD11 ILE A 129 11.832 -15.968 18.903 1.00 21.17 H new ATOM 0 HD12 ILE A 129 10.827 -16.577 17.842 1.00 21.17 H new ATOM 0 HD13 ILE A 129 10.572 -15.131 18.435 1.00 21.17 H new ATOM 1077 N VAL A 130 5.988 -16.693 21.378 1.00 17.29 N ATOM 1078 CA VAL A 130 4.632 -16.148 21.285 1.00 18.95 C ATOM 1079 C VAL A 130 4.675 -14.604 21.210 1.00 18.75 C ATOM 1080 O VAL A 130 5.316 -13.960 22.046 1.00 18.29 O ATOM 1081 CB VAL A 130 3.739 -16.648 22.452 1.00 17.93 C ATOM 1082 CG1 VAL A 130 2.274 -16.196 22.325 1.00 18.39 C ATOM 1083 CG2 VAL A 130 3.800 -18.157 22.580 1.00 19.07 C ATOM 0 H VAL A 130 6.428 -16.473 22.084 1.00 17.29 H new ATOM 0 HA VAL A 130 4.228 -16.473 20.465 1.00 18.95 H new ATOM 0 HB VAL A 130 4.100 -16.241 23.255 1.00 17.93 H new ATOM 0 HG11 VAL A 130 1.764 -16.535 23.077 1.00 18.39 H new ATOM 0 HG12 VAL A 130 2.234 -15.227 22.318 1.00 18.39 H new ATOM 0 HG13 VAL A 130 1.899 -16.541 21.499 1.00 18.39 H new ATOM 0 HG21 VAL A 130 3.235 -18.443 23.315 1.00 19.07 H new ATOM 0 HG22 VAL A 130 3.490 -18.565 21.756 1.00 19.07 H new ATOM 0 HG23 VAL A 130 4.715 -18.431 22.751 1.00 19.07 H new ATOM 1084 N SER A 131 3.988 -14.029 20.215 1.00 18.19 N ATOM 1085 CA SER A 131 3.862 -12.574 20.104 1.00 19.03 C ATOM 1086 C SER A 131 2.412 -12.132 20.229 1.00 19.42 C ATOM 1087 O SER A 131 1.536 -12.664 19.531 1.00 21.06 O ATOM 1088 CB SER A 131 4.386 -12.040 18.765 1.00 18.04 C ATOM 1089 OG SER A 131 4.428 -10.616 18.856 1.00 19.86 O ATOM 0 H SER A 131 3.587 -14.468 19.593 1.00 18.19 H new ATOM 0 HA SER A 131 4.396 -12.214 20.830 1.00 19.03 H new ATOM 0 HB2 SER A 131 5.269 -12.396 18.578 1.00 18.04 H new ATOM 0 HB3 SER A 131 3.808 -12.318 18.037 1.00 18.04 H new ATOM 0 HG SER A 131 4.605 -10.292 18.102 1.00 19.86 H new ATOM 1090 N ALA A 132 2.174 -11.144 21.088 1.00 19.45 N ATOM 1091 CA ALA A 132 0.886 -10.433 21.156 1.00 19.10 C ATOM 1092 C ALA A 132 0.905 -9.175 20.296 1.00 19.90 C ATOM 1093 O ALA A 132 -0.145 -8.533 20.095 1.00 19.79 O ATOM 1094 CB ALA A 132 0.566 -10.037 22.619 1.00 19.73 C ATOM 0 H ALA A 132 2.756 -10.861 21.654 1.00 19.45 H new ATOM 0 HA ALA A 132 0.203 -11.034 20.821 1.00 19.10 H new ATOM 0 HB1 ALA A 132 -0.284 -9.570 22.650 1.00 19.73 H new ATOM 0 HB2 ALA A 132 0.515 -10.836 23.167 1.00 19.73 H new ATOM 0 HB3 ALA A 132 1.266 -9.457 22.958 1.00 19.73 H new ATOM 1095 N TRP A 133 2.109 -8.795 19.854 1.00 19.76 N ATOM 1096 CA TRP A 133 2.278 -7.551 19.139 1.00 18.95 C ATOM 1097 C TRP A 133 1.840 -7.705 17.680 1.00 19.22 C ATOM 1098 O TRP A 133 2.670 -7.749 16.764 1.00 19.89 O ATOM 1099 CB TRP A 133 3.725 -7.015 19.268 1.00 18.57 C ATOM 1100 CG TRP A 133 3.756 -5.540 18.935 1.00 18.17 C ATOM 1101 CD1 TRP A 133 4.094 -4.978 17.732 1.00 17.76 C ATOM 1102 CD2 TRP A 133 3.351 -4.461 19.785 1.00 18.57 C ATOM 1103 NE1 TRP A 133 3.955 -3.610 17.794 1.00 18.72 N ATOM 1104 CE2 TRP A 133 3.507 -3.264 19.044 1.00 18.35 C ATOM 1105 CE3 TRP A 133 2.885 -4.384 21.121 1.00 18.20 C ATOM 1106 CZ2 TRP A 133 3.174 -2.002 19.568 1.00 17.98 C ATOM 1107 CZ3 TRP A 133 2.576 -3.106 21.647 1.00 20.05 C ATOM 1108 CH2 TRP A 133 2.717 -1.952 20.871 1.00 18.04 C ATOM 0 H TRP A 133 2.831 -9.249 19.963 1.00 19.76 H new ATOM 0 HA TRP A 133 1.702 -6.884 19.545 1.00 18.95 H new ATOM 0 HB2 TRP A 133 4.053 -7.159 20.170 1.00 18.57 H new ATOM 0 HB3 TRP A 133 4.314 -7.502 18.671 1.00 18.57 H new ATOM 0 HD1 TRP A 133 4.376 -5.452 16.983 1.00 17.76 H new ATOM 0 HE1 TRP A 133 4.122 -3.061 17.153 1.00 18.72 H new ATOM 0 HE3 TRP A 133 2.785 -5.151 21.638 1.00 18.20 H new ATOM 0 HZ2 TRP A 133 3.258 -1.230 19.056 1.00 17.98 H new ATOM 0 HZ3 TRP A 133 2.274 -3.033 22.524 1.00 20.05 H new ATOM 0 HH2 TRP A 133 2.497 -1.128 21.242 1.00 18.04 H new ATOM 1109 N ASN A 134 0.524 -7.753 17.460 1.00 18.92 N ATOM 1110 CA ASN A 134 -0.003 -7.861 16.084 1.00 18.96 C ATOM 1111 C ASN A 134 -0.219 -6.440 15.585 1.00 19.82 C ATOM 1112 O ASN A 134 -1.244 -5.805 15.903 1.00 19.24 O ATOM 1113 CB ASN A 134 -1.328 -8.636 16.097 1.00 19.23 C ATOM 1114 CG ASN A 134 -1.794 -9.029 14.714 1.00 19.95 C ATOM 1115 OD1 ASN A 134 -1.472 -8.197 13.715 1.00 21.40 O flip ATOM 1116 ND2 ASN A 134 -2.445 -10.084 14.538 1.00 15.65 N flip ATOM 0 H ASN A 134 -0.075 -7.725 18.077 1.00 18.92 H new ATOM 0 HA ASN A 134 0.612 -8.337 15.504 1.00 18.96 H new ATOM 0 HB2 ASN A 134 -1.225 -9.435 16.637 1.00 19.23 H new ATOM 0 HB3 ASN A 134 -2.011 -8.093 16.521 1.00 19.23 H new ATOM 0 HD21 ASN A 134 -2.631 -10.591 15.207 1.00 15.65 H new ATOM 0 HD22 ASN A 134 -2.706 -10.301 13.748 1.00 15.65 H new ATOM 1117 N VAL A 135 0.753 -5.949 14.810 1.00 19.29 N ATOM 1118 CA VAL A 135 0.796 -4.542 14.400 1.00 20.52 C ATOM 1119 C VAL A 135 -0.508 -4.196 13.670 1.00 21.98 C ATOM 1120 O VAL A 135 -1.089 -3.126 13.850 1.00 22.54 O ATOM 1121 CB VAL A 135 2.026 -4.305 13.496 1.00 19.81 C ATOM 1122 CG1 VAL A 135 2.059 -2.876 12.988 1.00 21.16 C ATOM 1123 CG2 VAL A 135 3.320 -4.628 14.325 1.00 18.71 C ATOM 0 H VAL A 135 1.405 -6.422 14.508 1.00 19.29 H new ATOM 0 HA VAL A 135 0.879 -3.966 15.176 1.00 20.52 H new ATOM 0 HB VAL A 135 1.977 -4.886 12.721 1.00 19.81 H new ATOM 0 HG11 VAL A 135 2.838 -2.751 12.424 1.00 21.16 H new ATOM 0 HG12 VAL A 135 1.256 -2.696 12.474 1.00 21.16 H new ATOM 0 HG13 VAL A 135 2.104 -2.266 13.741 1.00 21.16 H new ATOM 0 HG21 VAL A 135 4.103 -4.484 13.771 1.00 18.71 H new ATOM 0 HG22 VAL A 135 3.361 -4.047 15.100 1.00 18.71 H new ATOM 0 HG23 VAL A 135 3.296 -5.553 14.616 1.00 18.71 H new ATOM 1124 N GLY A 136 -0.962 -5.158 12.885 1.00 22.59 N ATOM 1125 CA GLY A 136 -2.129 -4.979 12.040 1.00 23.89 C ATOM 1126 C GLY A 136 -3.447 -4.926 12.768 1.00 25.02 C ATOM 1127 O GLY A 136 -4.452 -4.578 12.159 1.00 25.39 O ATOM 0 H GLY A 136 -0.601 -5.936 12.827 1.00 22.59 H new ATOM 0 HA2 GLY A 136 -2.022 -4.158 11.535 1.00 23.89 H new ATOM 0 HA3 GLY A 136 -2.160 -5.705 11.398 1.00 23.89 H new ATOM 1128 N GLU A 137 -3.466 -5.251 14.057 1.00 24.24 N ATOM 1129 CA GLU A 137 -4.698 -5.184 14.818 1.00 24.59 C ATOM 1130 C GLU A 137 -4.611 -4.264 16.044 1.00 23.85 C ATOM 1131 O GLU A 137 -5.574 -4.144 16.814 1.00 23.80 O ATOM 1132 CB GLU A 137 -5.134 -6.593 15.251 1.00 25.35 C ATOM 1133 CG GLU A 137 -5.538 -7.486 14.087 1.00 28.68 C ATOM 1134 CD GLU A 137 -6.513 -8.582 14.502 1.00 31.46 C ATOM 1135 OE1 GLU A 137 -6.195 -9.387 15.404 1.00 28.26 O ATOM 1136 OE2 GLU A 137 -7.610 -8.628 13.910 1.00 35.27 O ATOM 0 H GLU A 137 -2.778 -5.511 14.504 1.00 24.24 H new ATOM 0 HA GLU A 137 -5.362 -4.797 14.226 1.00 24.59 H new ATOM 0 HB2 GLU A 137 -4.407 -7.014 15.736 1.00 25.35 H new ATOM 0 HB3 GLU A 137 -5.880 -6.518 15.867 1.00 25.35 H new ATOM 0 HG2 GLU A 137 -5.943 -6.943 13.392 1.00 28.68 H new ATOM 0 HG3 GLU A 137 -4.744 -7.891 13.704 1.00 28.68 H new ATOM 1137 N LEU A 138 -3.481 -3.591 16.217 1.00 23.53 N ATOM 1138 CA LEU A 138 -3.350 -2.652 17.351 1.00 24.50 C ATOM 1139 C LEU A 138 -4.494 -1.630 17.358 1.00 24.92 C ATOM 1140 O LEU A 138 -5.036 -1.282 18.415 1.00 25.33 O ATOM 1141 CB LEU A 138 -2.011 -1.929 17.297 1.00 23.77 C ATOM 1142 CG LEU A 138 -0.787 -2.831 17.454 1.00 22.45 C ATOM 1143 CD1 LEU A 138 0.426 -2.053 17.057 1.00 26.13 C ATOM 1144 CD2 LEU A 138 -0.641 -3.399 18.893 1.00 23.54 C ATOM 0 H LEU A 138 -2.789 -3.653 15.710 1.00 23.53 H new ATOM 0 HA LEU A 138 -3.396 -3.171 18.169 1.00 24.50 H new ATOM 0 HB2 LEU A 138 -1.945 -1.460 16.450 1.00 23.77 H new ATOM 0 HB3 LEU A 138 -1.993 -1.256 17.996 1.00 23.77 H new ATOM 0 HG LEU A 138 -0.895 -3.603 16.876 1.00 22.45 H new ATOM 0 HD11 LEU A 138 1.214 -2.611 17.151 1.00 26.13 H new ATOM 0 HD12 LEU A 138 0.340 -1.768 16.134 1.00 26.13 H new ATOM 0 HD13 LEU A 138 0.512 -1.274 17.629 1.00 26.13 H new ATOM 0 HD21 LEU A 138 0.147 -3.962 18.940 1.00 23.54 H new ATOM 0 HD22 LEU A 138 -0.553 -2.667 19.523 1.00 23.54 H new ATOM 0 HD23 LEU A 138 -1.426 -3.923 19.115 1.00 23.54 H new ATOM 1145 N ASP A 139 -4.884 -1.177 16.172 1.00 25.36 N ATOM 1146 CA ASP A 139 -5.934 -0.168 16.087 1.00 27.20 C ATOM 1147 C ASP A 139 -7.304 -0.675 16.572 1.00 26.95 C ATOM 1148 O ASP A 139 -8.229 0.123 16.793 1.00 26.65 O ATOM 1149 CB ASP A 139 -5.987 0.460 14.679 1.00 28.26 C ATOM 1150 CG ASP A 139 -6.499 -0.509 13.584 1.00 33.03 C ATOM 1151 OD1 ASP A 139 -6.201 -1.721 13.597 1.00 35.85 O ATOM 1152 OD2 ASP A 139 -7.211 -0.032 12.661 1.00 41.13 O ATOM 0 H ASP A 139 -4.561 -1.434 15.418 1.00 25.36 H new ATOM 0 HA ASP A 139 -5.698 0.539 16.708 1.00 27.20 H new ATOM 0 HB2 ASP A 139 -6.562 1.241 14.703 1.00 28.26 H new ATOM 0 HB3 ASP A 139 -5.100 0.769 14.438 1.00 28.26 H new ATOM 1153 N LYS A 140 -7.421 -1.988 16.762 1.00 25.35 N ATOM 1154 CA LYS A 140 -8.670 -2.604 17.232 1.00 26.39 C ATOM 1155 C LYS A 140 -8.678 -2.901 18.739 1.00 26.30 C ATOM 1156 O LYS A 140 -9.723 -3.231 19.325 1.00 26.19 O ATOM 1157 CB LYS A 140 -8.958 -3.872 16.425 1.00 26.19 C ATOM 1158 CG LYS A 140 -9.157 -3.587 14.941 1.00 30.83 C ATOM 1159 CD LYS A 140 -9.649 -4.812 14.173 1.00 38.11 C ATOM 1160 CE LYS A 140 -8.494 -5.770 13.839 1.00 42.16 C ATOM 1161 NZ LYS A 140 -8.764 -6.676 12.654 1.00 43.20 N ATOM 0 H LYS A 140 -6.783 -2.548 16.624 1.00 25.35 H new ATOM 0 HA LYS A 140 -9.376 -1.955 17.088 1.00 26.39 H new ATOM 0 HB2 LYS A 140 -8.224 -4.496 16.536 1.00 26.19 H new ATOM 0 HB3 LYS A 140 -9.752 -4.303 16.778 1.00 26.19 H new ATOM 0 HG2 LYS A 140 -9.796 -2.865 14.836 1.00 30.83 H new ATOM 0 HG3 LYS A 140 -8.319 -3.283 14.558 1.00 30.83 H new ATOM 0 HD2 LYS A 140 -10.316 -5.279 14.700 1.00 38.11 H new ATOM 0 HD3 LYS A 140 -10.083 -4.528 13.353 1.00 38.11 H new ATOM 0 HE2 LYS A 140 -7.696 -5.249 13.660 1.00 42.16 H new ATOM 0 HE3 LYS A 140 -8.306 -6.318 14.617 1.00 42.16 H new ATOM 0 HZ1 LYS A 140 -8.500 -7.504 12.847 1.00 43.20 H new ATOM 0 HZ2 LYS A 140 -9.635 -6.677 12.473 1.00 43.20 H new ATOM 0 HZ3 LYS A 140 -8.315 -6.380 11.945 1.00 43.20 H new ATOM 1162 N MET A 141 -7.511 -2.772 19.368 1.00 25.01 N ATOM 1163 CA MET A 141 -7.342 -3.173 20.757 1.00 24.44 C ATOM 1164 C MET A 141 -7.589 -2.030 21.725 1.00 24.45 C ATOM 1165 O MET A 141 -7.210 -0.896 21.428 1.00 25.48 O ATOM 1166 CB MET A 141 -5.903 -3.655 20.971 1.00 23.80 C ATOM 1167 CG MET A 141 -5.489 -4.829 20.084 1.00 23.62 C ATOM 1168 SD MET A 141 -3.755 -5.284 20.511 1.00 23.99 S ATOM 1169 CE MET A 141 -3.435 -6.462 19.186 1.00 20.43 C ATOM 0 H MET A 141 -6.802 -2.452 19.002 1.00 25.01 H new ATOM 0 HA MET A 141 -7.990 -3.874 20.931 1.00 24.44 H new ATOM 0 HB2 MET A 141 -5.298 -2.914 20.810 1.00 23.80 H new ATOM 0 HB3 MET A 141 -5.795 -3.912 21.900 1.00 23.80 H new ATOM 0 HG2 MET A 141 -6.082 -5.584 20.223 1.00 23.62 H new ATOM 0 HG3 MET A 141 -5.555 -4.586 19.147 1.00 23.62 H new ATOM 0 HE1 MET A 141 -3.027 -7.261 19.555 1.00 20.43 H new ATOM 0 HE2 MET A 141 -4.270 -6.697 18.753 1.00 20.43 H new ATOM 0 HE3 MET A 141 -2.835 -6.063 18.536 1.00 20.43 H new ATOM 1170 N ALA A 142 -8.188 -2.334 22.880 1.00 23.57 N ATOM 1171 CA ALA A 142 -8.400 -1.366 23.980 1.00 24.54 C ATOM 1172 C ALA A 142 -7.079 -0.741 24.420 1.00 25.23 C ATOM 1173 O ALA A 142 -6.991 0.449 24.772 1.00 25.26 O ATOM 1174 CB ALA A 142 -9.095 -2.033 25.170 1.00 23.14 C ATOM 0 H ALA A 142 -8.490 -3.120 23.055 1.00 23.57 H new ATOM 0 HA ALA A 142 -8.976 -0.661 23.645 1.00 24.54 H new ATOM 0 HB1 ALA A 142 -9.223 -1.381 25.877 1.00 23.14 H new ATOM 0 HB2 ALA A 142 -9.957 -2.379 24.889 1.00 23.14 H new ATOM 0 HB3 ALA A 142 -8.546 -2.762 25.499 1.00 23.14 H new ATOM 1175 N LEU A 143 -6.042 -1.558 24.412 1.00 26.06 N ATOM 1176 CA LEU A 143 -4.703 -1.049 24.702 1.00 27.37 C ATOM 1177 C LEU A 143 -3.710 -1.903 23.977 1.00 26.21 C ATOM 1178 O LEU A 143 -3.963 -3.094 23.781 1.00 27.10 O ATOM 1179 CB LEU A 143 -4.412 -1.057 26.208 1.00 28.04 C ATOM 1180 CG LEU A 143 -4.256 -2.231 27.169 1.00 30.64 C ATOM 1181 CD1 LEU A 143 -3.311 -3.358 26.707 1.00 36.34 C ATOM 1182 CD2 LEU A 143 -3.735 -1.660 28.511 1.00 31.12 C ATOM 0 H LEU A 143 -6.084 -2.400 24.244 1.00 26.06 H new ATOM 0 HA LEU A 143 -4.640 -0.128 24.404 1.00 27.37 H new ATOM 0 HB2 LEU A 143 -3.587 -0.555 26.300 1.00 28.04 H new ATOM 0 HB3 LEU A 143 -5.118 -0.516 26.596 1.00 28.04 H new ATOM 0 HG LEU A 143 -5.128 -2.650 27.234 1.00 30.64 H new ATOM 0 HD11 LEU A 143 -3.281 -4.053 27.383 1.00 36.34 H new ATOM 0 HD12 LEU A 143 -3.637 -3.733 25.874 1.00 36.34 H new ATOM 0 HD13 LEU A 143 -2.420 -2.999 26.573 1.00 36.34 H new ATOM 0 HD21 LEU A 143 -3.624 -2.382 29.149 1.00 31.12 H new ATOM 0 HD22 LEU A 143 -2.882 -1.222 28.367 1.00 31.12 H new ATOM 0 HD23 LEU A 143 -4.373 -1.018 28.859 1.00 31.12 H new ATOM 1183 N ALA A 144 -2.568 -1.329 23.613 1.00 25.01 N ATOM 1184 CA ALA A 144 -1.515 -2.123 22.999 1.00 23.82 C ATOM 1185 C ALA A 144 -0.901 -3.063 24.054 1.00 23.11 C ATOM 1186 O ALA A 144 -0.715 -2.677 25.214 1.00 22.95 O ATOM 1187 CB ALA A 144 -0.443 -1.217 22.371 1.00 23.63 C ATOM 0 H ALA A 144 -2.386 -0.494 23.711 1.00 25.01 H new ATOM 0 HA ALA A 144 -1.895 -2.659 22.286 1.00 23.82 H new ATOM 0 HB1 ALA A 144 0.248 -1.765 21.968 1.00 23.63 H new ATOM 0 HB2 ALA A 144 -0.850 -0.658 21.691 1.00 23.63 H new ATOM 0 HB3 ALA A 144 -0.051 -0.656 23.058 1.00 23.63 H new ATOM 1188 N PRO A 145 -0.619 -4.317 23.663 1.00 23.02 N ATOM 1189 CA PRO A 145 -0.088 -5.289 24.616 1.00 23.10 C ATOM 1190 C PRO A 145 1.151 -4.772 25.364 1.00 22.71 C ATOM 1191 O PRO A 145 2.073 -4.240 24.745 1.00 22.55 O ATOM 1192 CB PRO A 145 0.307 -6.478 23.717 1.00 23.50 C ATOM 1193 CG PRO A 145 -0.701 -6.376 22.545 1.00 24.08 C ATOM 1194 CD PRO A 145 -0.778 -4.880 22.305 1.00 22.68 C ATOM 0 HA PRO A 145 -0.734 -5.502 25.308 1.00 23.10 H new ATOM 0 HB2 PRO A 145 1.224 -6.407 23.409 1.00 23.50 H new ATOM 0 HB3 PRO A 145 0.230 -7.324 24.185 1.00 23.50 H new ATOM 0 HG2 PRO A 145 -0.390 -6.852 21.759 1.00 24.08 H new ATOM 0 HG3 PRO A 145 -1.565 -6.749 22.779 1.00 24.08 H new ATOM 0 HD2 PRO A 145 -0.078 -4.576 21.706 1.00 22.68 H new ATOM 0 HD3 PRO A 145 -1.624 -4.623 21.906 1.00 22.68 H new ATOM 1195 N ACYS A 146 1.189 -4.945 26.687 0.50 22.60 N ATOM 1196 N BCYS A 146 1.162 -4.977 26.674 0.50 22.60 N ATOM 1197 CA ACYS A 146 2.366 -4.547 27.474 0.50 22.94 C ATOM 1198 CA BCYS A 146 2.283 -4.588 27.498 0.50 22.94 C ATOM 1199 C ACYS A 146 3.397 -5.681 27.577 0.50 22.36 C ATOM 1200 C BCYS A 146 3.354 -5.684 27.541 0.50 22.36 C ATOM 1201 O ACYS A 146 4.587 -5.492 27.274 0.50 22.09 O ATOM 1202 O BCYS A 146 4.523 -5.474 27.178 0.50 22.09 O ATOM 1203 CB ACYS A 146 1.957 -4.067 28.869 0.50 23.28 C ATOM 1204 CB BCYS A 146 1.785 -4.312 28.905 0.50 23.28 C ATOM 1205 SG ACYS A 146 0.634 -2.853 28.853 0.50 28.12 S ATOM 1206 SG BCYS A 146 3.001 -3.460 29.796 0.50 28.12 S ATOM 0 H ACYS A 146 0.549 -5.289 27.148 0.50 22.60 H new ATOM 0 H BCYS A 146 0.517 -5.346 27.106 0.50 22.60 H new ATOM 0 HA ACYS A 146 2.786 -3.810 27.004 0.50 22.94 H new ATOM 0 HA BCYS A 146 2.685 -3.792 27.116 0.50 22.94 H new ATOM 0 HB2ACYS A 146 1.678 -4.831 29.397 0.50 23.28 H new ATOM 0 HB2BCYS A 146 0.969 -3.789 28.872 0.50 23.28 H new ATOM 0 HB3ACYS A 146 2.731 -3.685 29.311 0.50 23.28 H new ATOM 0 HB3BCYS A 146 1.569 -5.146 29.351 0.50 23.28 H new ATOM 0 HG ACYS A 146 0.372 -2.531 29.979 0.50 28.12 H new ATOM 0 HG BCYS A 146 2.604 -3.242 30.907 0.50 28.12 H new ATOM 1207 N HIS A 147 2.942 -6.852 28.011 1.00 22.58 N ATOM 1208 CA HIS A 147 3.769 -8.050 27.965 1.00 22.35 C ATOM 1209 C HIS A 147 3.600 -8.596 26.529 1.00 22.33 C ATOM 1210 O HIS A 147 2.690 -9.381 26.210 1.00 23.60 O ATOM 1211 CB HIS A 147 3.446 -9.009 29.119 1.00 22.54 C ATOM 1212 CG HIS A 147 1.996 -9.379 29.265 1.00 24.86 C ATOM 1213 ND1 HIS A 147 1.294 -10.438 28.787 1.00 29.09 N flip ATOM 1214 CD2 HIS A 147 1.121 -8.675 30.065 1.00 26.67 C flip ATOM 1215 CE1 HIS A 147 0.015 -10.339 29.283 1.00 27.50 C flip ATOM 1216 NE2 HIS A 147 -0.069 -9.257 30.034 1.00 28.50 N flip ATOM 0 H AHIS A 147 2.155 -6.973 28.336 0.50 22.58 H new ATOM 0 H BHIS A 147 2.169 -6.974 28.368 0.50 22.58 H new ATOM 0 HA HIS A 147 4.712 -7.885 28.120 1.00 22.35 H new ATOM 0 HB2 HIS A 147 3.961 -9.822 28.997 1.00 22.54 H new ATOM 0 HB3 HIS A 147 3.746 -8.605 29.948 1.00 22.54 H new ATOM 0 HD2 HIS A 147 1.333 -7.911 30.551 1.00 26.67 H new ATOM 0 HE1 HIS A 147 -0.678 -10.937 29.116 1.00 27.50 H new ATOM 0 HE2 HIS A 147 -0.776 -8.977 30.435 1.00 28.50 H new ATOM 1217 N ALA A 148 4.485 -8.122 25.658 1.00 19.92 N ATOM 1218 CA ALA A 148 4.220 -8.112 24.199 1.00 21.28 C ATOM 1219 C ALA A 148 4.691 -9.365 23.461 1.00 19.90 C ATOM 1220 O ALA A 148 4.192 -9.688 22.365 1.00 20.38 O ATOM 1221 CB ALA A 148 4.877 -6.873 23.575 1.00 20.78 C ATOM 0 H ALA A 148 5.250 -7.798 25.881 1.00 19.92 H new ATOM 0 HA ALA A 148 3.255 -8.092 24.099 1.00 21.28 H new ATOM 0 HB1 ALA A 148 4.706 -6.862 22.620 1.00 20.78 H new ATOM 0 HB2 ALA A 148 4.507 -6.072 23.978 1.00 20.78 H new ATOM 0 HB3 ALA A 148 5.834 -6.900 23.732 1.00 20.78 H new ATOM 1222 N PHE A 149 5.672 -10.059 24.029 1.00 18.84 N ATOM 1223 CA PHE A 149 6.414 -11.060 23.268 1.00 18.39 C ATOM 1224 C PHE A 149 7.135 -11.907 24.298 1.00 18.58 C ATOM 1225 O PHE A 149 7.723 -11.368 25.247 1.00 17.99 O ATOM 1226 CB PHE A 149 7.432 -10.278 22.431 1.00 19.61 C ATOM 1227 CG PHE A 149 8.216 -11.082 21.469 1.00 21.10 C ATOM 1228 CD1 PHE A 149 9.349 -11.801 21.866 1.00 20.71 C ATOM 1229 CD2 PHE A 149 7.895 -11.031 20.099 1.00 19.56 C ATOM 1230 CE1 PHE A 149 10.133 -12.511 20.930 1.00 23.45 C ATOM 1231 CE2 PHE A 149 8.667 -11.723 19.162 1.00 20.65 C ATOM 1232 CZ PHE A 149 9.795 -12.465 19.581 1.00 21.54 C ATOM 0 H PHE A 149 5.923 -9.967 24.847 1.00 18.84 H new ATOM 0 HA PHE A 149 5.862 -11.617 22.696 1.00 18.39 H new ATOM 0 HB2 PHE A 149 6.961 -9.585 21.942 1.00 19.61 H new ATOM 0 HB3 PHE A 149 8.048 -9.832 23.033 1.00 19.61 H new ATOM 0 HD1 PHE A 149 9.591 -11.812 22.764 1.00 20.71 H new ATOM 0 HD2 PHE A 149 7.163 -10.533 19.815 1.00 19.56 H new ATOM 0 HE1 PHE A 149 10.869 -13.005 21.213 1.00 23.45 H new ATOM 0 HE2 PHE A 149 8.438 -11.695 18.261 1.00 20.65 H new ATOM 0 HZ PHE A 149 10.310 -12.922 18.956 1.00 21.54 H new ATOM 1233 N PHE A 150 7.045 -13.211 24.133 1.00 17.24 N ATOM 1234 CA PHE A 150 7.836 -14.110 24.976 1.00 17.62 C ATOM 1235 C PHE A 150 8.394 -15.277 24.200 1.00 17.98 C ATOM 1236 O PHE A 150 7.824 -15.680 23.165 1.00 17.85 O ATOM 1237 CB PHE A 150 7.080 -14.534 26.228 1.00 15.73 C ATOM 1238 CG PHE A 150 5.728 -15.182 25.999 1.00 17.23 C ATOM 1239 CD1 PHE A 150 4.585 -14.402 25.734 1.00 17.64 C ATOM 1240 CD2 PHE A 150 5.571 -16.546 26.226 1.00 16.30 C ATOM 1241 CE1 PHE A 150 3.315 -14.990 25.633 1.00 18.25 C ATOM 1242 CE2 PHE A 150 4.303 -17.161 26.137 1.00 16.45 C ATOM 1243 CZ PHE A 150 3.159 -16.356 25.828 1.00 17.86 C ATOM 0 H PHE A 150 6.544 -13.599 23.552 1.00 17.24 H new ATOM 0 HA PHE A 150 8.604 -13.605 25.285 1.00 17.62 H new ATOM 0 HB2 PHE A 150 7.636 -15.154 26.726 1.00 15.73 H new ATOM 0 HB3 PHE A 150 6.954 -13.753 26.789 1.00 15.73 H new ATOM 0 HD1 PHE A 150 4.674 -13.483 25.624 1.00 17.64 H new ATOM 0 HD2 PHE A 150 6.315 -17.062 26.440 1.00 16.30 H new ATOM 0 HE1 PHE A 150 2.575 -14.463 25.435 1.00 18.25 H new ATOM 0 HE2 PHE A 150 4.212 -18.076 26.277 1.00 16.45 H new ATOM 0 HZ PHE A 150 2.317 -16.746 25.758 1.00 17.86 H new ATOM 1244 N GLN A 151 9.520 -15.803 24.691 1.00 17.69 N ATOM 1245 CA GLN A 151 10.249 -16.850 23.986 1.00 17.22 C ATOM 1246 C GLN A 151 10.564 -17.931 25.005 1.00 16.38 C ATOM 1247 O GLN A 151 10.881 -17.610 26.135 1.00 16.94 O ATOM 1248 CB GLN A 151 11.548 -16.291 23.387 1.00 16.26 C ATOM 1249 CG GLN A 151 12.434 -17.318 22.697 1.00 14.57 C ATOM 1250 CD GLN A 151 13.595 -16.684 21.964 1.00 17.83 C ATOM 1251 OE1 GLN A 151 13.899 -15.520 22.178 1.00 17.76 O ATOM 1252 NE2 GLN A 151 14.241 -17.435 21.106 1.00 18.58 N ATOM 0 H GLN A 151 9.877 -15.563 25.436 1.00 17.69 H new ATOM 0 HA GLN A 151 9.720 -17.204 23.254 1.00 17.22 H new ATOM 0 HB2 GLN A 151 11.321 -15.598 22.747 1.00 16.26 H new ATOM 0 HB3 GLN A 151 12.058 -15.867 24.095 1.00 16.26 H new ATOM 0 HG2 GLN A 151 12.774 -17.942 23.357 1.00 14.57 H new ATOM 0 HG3 GLN A 151 11.901 -17.831 22.070 1.00 14.57 H new ATOM 0 HE21 GLN A 151 13.999 -18.251 20.981 1.00 18.58 H new ATOM 0 HE22 GLN A 151 14.907 -17.112 20.668 1.00 18.58 H new ATOM 1253 N PHE A 152 10.428 -19.192 24.610 1.00 16.39 N ATOM 1254 CA PHE A 152 10.844 -20.337 25.430 1.00 16.12 C ATOM 1255 C PHE A 152 12.186 -20.914 24.974 1.00 16.80 C ATOM 1256 O PHE A 152 12.619 -20.711 23.847 1.00 16.59 O ATOM 1257 CB PHE A 152 9.764 -21.443 25.409 1.00 15.88 C ATOM 1258 CG PHE A 152 8.476 -21.049 26.088 1.00 17.33 C ATOM 1259 CD1 PHE A 152 8.344 -21.167 27.464 1.00 17.14 C ATOM 1260 CD2 PHE A 152 7.414 -20.532 25.340 1.00 20.60 C ATOM 1261 CE1 PHE A 152 7.130 -20.788 28.098 1.00 19.41 C ATOM 1262 CE2 PHE A 152 6.206 -20.172 25.956 1.00 21.70 C ATOM 1263 CZ PHE A 152 6.060 -20.294 27.334 1.00 19.29 C ATOM 0 H PHE A 152 10.089 -19.414 23.852 1.00 16.39 H new ATOM 0 HA PHE A 152 10.953 -20.011 26.337 1.00 16.12 H new ATOM 0 HB2 PHE A 152 9.575 -21.681 24.488 1.00 15.88 H new ATOM 0 HB3 PHE A 152 10.117 -22.237 25.840 1.00 15.88 H new ATOM 0 HD1 PHE A 152 9.051 -21.494 27.972 1.00 17.14 H new ATOM 0 HD2 PHE A 152 7.510 -20.425 24.421 1.00 20.60 H new ATOM 0 HE1 PHE A 152 7.044 -20.867 29.021 1.00 19.41 H new ATOM 0 HE2 PHE A 152 5.501 -19.851 25.442 1.00 21.70 H new ATOM 0 HZ PHE A 152 5.262 -20.051 27.745 1.00 19.29 H new ATOM 1264 N TYR A 153 12.803 -21.705 25.841 1.00 15.71 N ATOM 1265 CA TYR A 153 14.120 -22.241 25.565 1.00 16.53 C ATOM 1266 C TYR A 153 14.261 -23.475 26.450 1.00 17.71 C ATOM 1267 O TYR A 153 13.749 -23.481 27.569 1.00 17.02 O ATOM 1268 CB TYR A 153 15.156 -21.175 25.963 1.00 16.92 C ATOM 1269 CG TYR A 153 16.592 -21.614 25.963 1.00 15.74 C ATOM 1270 CD1 TYR A 153 17.173 -22.149 27.136 1.00 16.54 C ATOM 1271 CD2 TYR A 153 17.382 -21.452 24.845 1.00 16.12 C ATOM 1272 CE1 TYR A 153 18.503 -22.545 27.138 1.00 19.18 C ATOM 1273 CE2 TYR A 153 18.749 -21.822 24.852 1.00 18.32 C ATOM 1274 CZ TYR A 153 19.279 -22.367 25.995 1.00 19.61 C ATOM 1275 OH TYR A 153 20.594 -22.741 25.995 1.00 18.99 O ATOM 0 H TYR A 153 12.471 -21.943 26.598 1.00 15.71 H new ATOM 0 HA TYR A 153 14.250 -22.471 24.632 1.00 16.53 H new ATOM 0 HB2 TYR A 153 15.067 -20.422 25.357 1.00 16.92 H new ATOM 0 HB3 TYR A 153 14.936 -20.852 26.851 1.00 16.92 H new ATOM 0 HD1 TYR A 153 16.662 -22.236 27.908 1.00 16.54 H new ATOM 0 HD2 TYR A 153 17.010 -21.093 24.072 1.00 16.12 H new ATOM 0 HE1 TYR A 153 18.875 -22.928 27.900 1.00 19.18 H new ATOM 0 HE2 TYR A 153 19.277 -21.698 24.097 1.00 18.32 H new ATOM 0 HH TYR A 153 20.890 -22.727 26.781 1.00 18.99 H new ATOM 1276 N VAL A 154 14.919 -24.516 25.930 1.00 18.08 N ATOM 1277 CA VAL A 154 15.047 -25.765 26.645 1.00 19.16 C ATOM 1278 C VAL A 154 16.520 -26.134 26.692 1.00 19.82 C ATOM 1279 O VAL A 154 17.146 -26.239 25.639 1.00 20.99 O ATOM 1280 CB VAL A 154 14.245 -26.925 25.957 1.00 18.97 C ATOM 1281 CG1 VAL A 154 14.346 -28.222 26.794 1.00 19.01 C ATOM 1282 CG2 VAL A 154 12.785 -26.537 25.722 1.00 17.80 C ATOM 0 H VAL A 154 15.297 -24.508 25.158 1.00 18.08 H new ATOM 0 HA VAL A 154 14.682 -25.649 27.536 1.00 19.16 H new ATOM 0 HB VAL A 154 14.643 -27.088 25.088 1.00 18.97 H new ATOM 0 HG11 VAL A 154 13.846 -28.929 26.357 1.00 19.01 H new ATOM 0 HG12 VAL A 154 15.276 -28.485 26.872 1.00 19.01 H new ATOM 0 HG13 VAL A 154 13.979 -28.066 27.678 1.00 19.01 H new ATOM 0 HG21 VAL A 154 12.319 -27.274 25.297 1.00 17.80 H new ATOM 0 HG22 VAL A 154 12.363 -26.335 26.572 1.00 17.80 H new ATOM 0 HG23 VAL A 154 12.746 -25.756 25.148 1.00 17.80 H new ATOM 1283 N ALA A 155 17.073 -26.350 27.885 1.00 22.24 N ATOM 1284 CA ALA A 155 18.426 -26.904 27.978 1.00 23.38 C ATOM 1285 C ALA A 155 18.481 -27.907 29.110 1.00 24.70 C ATOM 1286 O ALA A 155 17.980 -27.641 30.199 1.00 24.79 O ATOM 1287 CB ALA A 155 19.419 -25.790 28.234 1.00 24.79 C ATOM 0 H ALA A 155 16.692 -26.187 28.639 1.00 22.24 H new ATOM 0 HA ALA A 155 18.652 -27.345 27.144 1.00 23.38 H new ATOM 0 HB1 ALA A 155 20.313 -26.161 28.295 1.00 24.79 H new ATOM 0 HB2 ALA A 155 19.383 -25.151 27.505 1.00 24.79 H new ATOM 0 HB3 ALA A 155 19.197 -25.344 29.066 1.00 24.79 H new ATOM 1288 N ASP A 156 19.072 -29.075 28.867 1.00 26.86 N ATOM 1289 CA ASP A 156 19.289 -30.019 29.988 1.00 28.70 C ATOM 1290 C ASP A 156 17.969 -30.321 30.684 1.00 27.20 C ATOM 1291 O ASP A 156 17.888 -30.323 31.924 1.00 28.35 O ATOM 1292 CB ASP A 156 20.230 -29.388 31.005 1.00 29.90 C ATOM 1293 CG ASP A 156 21.601 -29.079 30.421 1.00 35.57 C ATOM 1294 OD1 ASP A 156 22.053 -29.835 29.520 1.00 40.14 O ATOM 1295 OD2 ASP A 156 22.209 -28.072 30.871 1.00 42.31 O ATOM 0 H ASP A 156 19.348 -29.341 28.097 1.00 26.86 H new ATOM 0 HA ASP A 156 19.669 -30.838 29.634 1.00 28.70 H new ATOM 0 HB2 ASP A 156 19.834 -28.569 31.343 1.00 29.90 H new ATOM 0 HB3 ASP A 156 20.332 -29.987 31.761 1.00 29.90 H new ATOM 1296 N GLY A 157 16.923 -30.492 29.881 1.00 27.30 N ATOM 1297 CA GLY A 157 15.601 -30.890 30.368 1.00 25.68 C ATOM 1298 C GLY A 157 14.866 -29.808 31.143 1.00 24.69 C ATOM 1299 O GLY A 157 13.892 -30.108 31.836 1.00 24.71 O ATOM 0 H GLY A 157 16.959 -30.380 29.029 1.00 27.30 H new ATOM 0 HA2 GLY A 157 15.056 -31.157 29.611 1.00 25.68 H new ATOM 0 HA3 GLY A 157 15.699 -31.670 30.936 1.00 25.68 H new ATOM 1300 N LYS A 158 15.323 -28.556 31.029 1.00 23.17 N ATOM 1301 CA LYS A 158 14.727 -27.451 31.795 1.00 22.52 C ATOM 1302 C LYS A 158 14.179 -26.387 30.890 1.00 20.52 C ATOM 1303 O LYS A 158 14.838 -25.985 29.930 1.00 21.25 O ATOM 1304 CB LYS A 158 15.751 -26.803 32.730 1.00 23.51 C ATOM 1305 CG LYS A 158 16.107 -27.711 33.915 1.00 28.66 C ATOM 1306 CD LYS A 158 17.279 -27.262 34.694 1.00 36.86 C ATOM 1307 CE LYS A 158 17.497 -28.285 35.814 1.00 41.18 C ATOM 1308 NZ LYS A 158 18.881 -28.267 36.371 1.00 46.43 N ATOM 0 H LYS A 158 15.974 -28.325 30.517 1.00 23.17 H new ATOM 0 HA LYS A 158 14.007 -27.838 32.316 1.00 22.52 H new ATOM 0 HB2 LYS A 158 16.556 -26.594 32.231 1.00 23.51 H new ATOM 0 HB3 LYS A 158 15.397 -25.963 33.062 1.00 23.51 H new ATOM 0 HG2 LYS A 158 15.341 -27.768 34.507 1.00 28.66 H new ATOM 0 HG3 LYS A 158 16.276 -28.607 33.583 1.00 28.66 H new ATOM 0 HD2 LYS A 158 18.064 -27.202 34.128 1.00 36.86 H new ATOM 0 HD3 LYS A 158 17.127 -26.378 35.063 1.00 36.86 H new ATOM 0 HE2 LYS A 158 16.865 -28.111 36.529 1.00 41.18 H new ATOM 0 HE3 LYS A 158 17.304 -29.173 35.474 1.00 41.18 H new ATOM 0 HZ1 LYS A 158 18.950 -28.878 37.015 1.00 46.43 H new ATOM 0 HZ2 LYS A 158 19.464 -28.451 35.724 1.00 46.43 H new ATOM 0 HZ3 LYS A 158 19.056 -27.462 36.707 1.00 46.43 H new ATOM 1309 N LEU A 159 13.010 -25.890 31.259 1.00 19.05 N ATOM 1310 CA LEU A 159 12.272 -24.958 30.418 1.00 18.40 C ATOM 1311 C LEU A 159 12.508 -23.545 30.928 1.00 17.91 C ATOM 1312 O LEU A 159 12.167 -23.255 32.075 1.00 18.58 O ATOM 1313 CB LEU A 159 10.767 -25.277 30.460 1.00 17.48 C ATOM 1314 CG LEU A 159 9.938 -24.272 29.644 1.00 18.50 C ATOM 1315 CD1 LEU A 159 10.325 -24.476 28.191 1.00 16.52 C ATOM 1316 CD2 LEU A 159 8.479 -24.573 29.864 1.00 19.48 C ATOM 0 H LEU A 159 12.621 -26.081 32.002 1.00 19.05 H new ATOM 0 HA LEU A 159 12.580 -25.038 29.502 1.00 18.40 H new ATOM 0 HB2 LEU A 159 10.618 -26.172 30.116 1.00 17.48 H new ATOM 0 HB3 LEU A 159 10.463 -25.273 31.381 1.00 17.48 H new ATOM 0 HG LEU A 159 10.101 -23.352 29.905 1.00 18.50 H new ATOM 0 HD11 LEU A 159 9.825 -23.860 27.633 1.00 16.52 H new ATOM 0 HD12 LEU A 159 11.275 -24.311 28.083 1.00 16.52 H new ATOM 0 HD13 LEU A 159 10.123 -25.387 27.927 1.00 16.52 H new ATOM 0 HD21 LEU A 159 7.939 -23.948 29.356 1.00 19.48 H new ATOM 0 HD22 LEU A 159 8.287 -25.478 29.571 1.00 19.48 H new ATOM 0 HD23 LEU A 159 8.270 -24.488 30.807 1.00 19.48 H new ATOM 1317 N SER A 160 13.048 -22.669 30.073 1.00 16.98 N ATOM 1318 CA SER A 160 13.158 -21.240 30.405 1.00 16.58 C ATOM 1319 C SER A 160 12.253 -20.397 29.541 1.00 17.04 C ATOM 1320 O SER A 160 11.800 -20.844 28.484 1.00 15.91 O ATOM 1321 CB SER A 160 14.599 -20.741 30.290 1.00 17.85 C ATOM 1322 OG SER A 160 15.409 -21.402 31.246 1.00 17.37 O ATOM 0 H SER A 160 13.356 -22.880 29.298 1.00 16.98 H new ATOM 0 HA SER A 160 12.875 -21.149 31.328 1.00 16.58 H new ATOM 0 HB2 SER A 160 14.938 -20.906 29.396 1.00 17.85 H new ATOM 0 HB3 SER A 160 14.631 -19.782 30.433 1.00 17.85 H new ATOM 0 HG SER A 160 15.690 -22.125 30.924 1.00 17.37 H new ATOM 1323 N CYS A 161 12.008 -19.175 29.986 1.00 16.42 N ATOM 1324 CA CYS A 161 11.134 -18.286 29.237 1.00 16.64 C ATOM 1325 C CYS A 161 11.643 -16.869 29.455 1.00 16.08 C ATOM 1326 O CYS A 161 12.025 -16.517 30.574 1.00 16.22 O ATOM 1327 CB CYS A 161 9.690 -18.434 29.734 1.00 15.64 C ATOM 1328 SG CYS A 161 8.477 -17.301 28.939 1.00 19.11 S ATOM 0 H CYS A 161 12.333 -18.843 30.710 1.00 16.42 H new ATOM 0 HA CYS A 161 11.139 -18.501 28.291 1.00 16.64 H new ATOM 0 HB2 CYS A 161 9.403 -19.349 29.587 1.00 15.64 H new ATOM 0 HB3 CYS A 161 9.674 -18.283 30.692 1.00 15.64 H new ATOM 0 HG CYS A 161 7.385 -17.499 29.395 1.00 19.11 H new ATOM 1329 N GLN A 162 11.644 -16.077 28.394 1.00 16.00 N ATOM 1330 CA GLN A 162 11.970 -14.670 28.502 1.00 16.19 C ATOM 1331 C GLN A 162 10.767 -13.883 28.024 1.00 16.66 C ATOM 1332 O GLN A 162 10.247 -14.163 26.959 1.00 16.66 O ATOM 1333 CB GLN A 162 13.193 -14.301 27.657 1.00 15.95 C ATOM 1334 CG GLN A 162 13.509 -12.788 27.718 1.00 15.63 C ATOM 1335 CD GLN A 162 14.902 -12.451 27.242 1.00 17.52 C ATOM 1336 OE1 GLN A 162 15.399 -11.362 27.740 1.00 19.92 O flip ATOM 1337 NE2 GLN A 162 15.512 -13.144 26.401 1.00 13.72 N flip ATOM 0 H GLN A 162 11.457 -16.340 27.597 1.00 16.00 H new ATOM 0 HA GLN A 162 12.186 -14.463 29.425 1.00 16.19 H new ATOM 0 HB2 GLN A 162 13.962 -14.803 27.968 1.00 15.95 H new ATOM 0 HB3 GLN A 162 13.038 -14.561 26.735 1.00 15.95 H new ATOM 0 HG2 GLN A 162 12.864 -12.307 27.177 1.00 15.63 H new ATOM 0 HG3 GLN A 162 13.402 -12.478 28.631 1.00 15.63 H new ATOM 0 HE21 GLN A 162 15.152 -13.861 26.092 1.00 13.72 H new ATOM 0 HE22 GLN A 162 16.293 -12.904 26.131 1.00 13.72 H new ATOM 1338 N LEU A 163 10.347 -12.912 28.836 1.00 17.08 N ATOM 1339 CA LEU A 163 9.266 -12.010 28.483 1.00 16.80 C ATOM 1340 C LEU A 163 9.874 -10.659 28.081 1.00 16.40 C ATOM 1341 O LEU A 163 10.754 -10.164 28.768 1.00 16.48 O ATOM 1342 CB LEU A 163 8.359 -11.788 29.714 1.00 16.30 C ATOM 1343 CG LEU A 163 7.293 -10.679 29.576 1.00 16.79 C ATOM 1344 CD1 LEU A 163 6.229 -11.058 28.481 1.00 14.35 C ATOM 1345 CD2 LEU A 163 6.583 -10.332 30.900 1.00 16.52 C ATOM 0 H LEU A 163 10.688 -12.762 29.611 1.00 17.08 H new ATOM 0 HA LEU A 163 8.748 -12.387 27.755 1.00 16.80 H new ATOM 0 HB2 LEU A 163 7.908 -12.623 29.916 1.00 16.30 H new ATOM 0 HB3 LEU A 163 8.922 -11.578 30.475 1.00 16.30 H new ATOM 0 HG LEU A 163 7.777 -9.884 29.303 1.00 16.79 H new ATOM 0 HD11 LEU A 163 5.570 -10.349 28.411 1.00 14.35 H new ATOM 0 HD12 LEU A 163 6.672 -11.173 27.626 1.00 14.35 H new ATOM 0 HD13 LEU A 163 5.788 -11.885 28.731 1.00 14.35 H new ATOM 0 HD21 LEU A 163 5.930 -9.632 30.743 1.00 16.52 H new ATOM 0 HD22 LEU A 163 6.135 -11.121 31.244 1.00 16.52 H new ATOM 0 HD23 LEU A 163 7.237 -10.024 31.547 1.00 16.52 H new ATOM 1346 N TYR A 164 9.373 -10.068 26.993 1.00 16.73 N ATOM 1347 CA TYR A 164 9.612 -8.660 26.743 1.00 17.22 C ATOM 1348 C TYR A 164 8.420 -7.806 27.167 1.00 17.90 C ATOM 1349 O TYR A 164 7.297 -7.927 26.627 1.00 17.23 O ATOM 1350 CB TYR A 164 9.936 -8.357 25.284 1.00 17.94 C ATOM 1351 CG TYR A 164 10.450 -6.925 25.153 1.00 17.28 C ATOM 1352 CD1 TYR A 164 11.824 -6.654 25.223 1.00 19.59 C ATOM 1353 CD2 TYR A 164 9.565 -5.846 24.987 1.00 17.76 C ATOM 1354 CE1 TYR A 164 12.310 -5.324 25.122 1.00 18.91 C ATOM 1355 CE2 TYR A 164 10.036 -4.514 24.880 1.00 17.15 C ATOM 1356 CZ TYR A 164 11.409 -4.281 24.941 1.00 19.41 C ATOM 1357 OH TYR A 164 11.906 -3.015 24.843 1.00 17.58 O ATOM 0 H TYR A 164 8.898 -10.466 26.397 1.00 16.73 H new ATOM 0 HA TYR A 164 10.388 -8.435 27.279 1.00 17.22 H new ATOM 0 HB2 TYR A 164 10.603 -8.980 24.956 1.00 17.94 H new ATOM 0 HB3 TYR A 164 9.144 -8.476 24.737 1.00 17.94 H new ATOM 0 HD1 TYR A 164 12.425 -7.355 25.337 1.00 19.59 H new ATOM 0 HD2 TYR A 164 8.650 -6.010 24.947 1.00 17.76 H new ATOM 0 HE1 TYR A 164 13.222 -5.152 25.176 1.00 18.91 H new ATOM 0 HE2 TYR A 164 9.440 -3.808 24.771 1.00 17.15 H new ATOM 0 HH TYR A 164 11.272 -2.464 24.850 1.00 17.58 H new ATOM 1358 N GLN A 165 8.668 -6.907 28.113 1.00 16.79 N ATOM 1359 CA GLN A 165 7.573 -6.070 28.627 1.00 17.06 C ATOM 1360 C GLN A 165 7.853 -4.622 28.276 1.00 17.95 C ATOM 1361 O GLN A 165 8.747 -3.988 28.855 1.00 16.53 O ATOM 1362 CB GLN A 165 7.385 -6.270 30.152 1.00 18.13 C ATOM 1363 CG GLN A 165 6.252 -5.428 30.711 1.00 19.53 C ATOM 1364 CD GLN A 165 5.724 -5.886 32.029 1.00 28.07 C ATOM 1365 OE1 GLN A 165 6.088 -6.945 32.544 1.00 31.56 O ATOM 1366 NE2 GLN A 165 4.817 -5.088 32.592 1.00 32.14 N ATOM 0 H GLN A 165 9.439 -6.763 28.467 1.00 16.79 H new ATOM 0 HA GLN A 165 6.738 -6.336 28.210 1.00 17.06 H new ATOM 0 HB2 GLN A 165 7.209 -7.206 30.333 1.00 18.13 H new ATOM 0 HB3 GLN A 165 8.210 -6.043 30.610 1.00 18.13 H new ATOM 0 HG2 GLN A 165 6.560 -4.513 30.801 1.00 19.53 H new ATOM 0 HG3 GLN A 165 5.524 -5.421 30.070 1.00 19.53 H new ATOM 0 HE21 GLN A 165 4.588 -4.356 32.203 1.00 32.14 H new ATOM 0 HE22 GLN A 165 4.461 -5.305 33.344 1.00 32.14 H new ATOM 1367 N ARG A 166 7.084 -4.070 27.341 1.00 17.28 N ATOM 1368 CA ARG A 166 7.397 -2.738 26.809 1.00 18.10 C ATOM 1369 C ARG A 166 7.250 -1.603 27.812 1.00 18.66 C ATOM 1370 O ARG A 166 7.886 -0.554 27.673 1.00 18.46 O ATOM 1371 CB ARG A 166 6.554 -2.428 25.561 1.00 17.05 C ATOM 1372 CG ARG A 166 5.107 -2.136 25.908 1.00 17.59 C ATOM 1373 CD ARG A 166 4.280 -1.663 24.713 1.00 17.75 C ATOM 1374 NE ARG A 166 2.894 -1.562 25.136 1.00 20.58 N ATOM 1375 CZ ARG A 166 2.361 -0.555 25.797 1.00 21.81 C ATOM 1376 NH1 ARG A 166 1.067 -0.629 26.126 1.00 21.81 N ATOM 1377 NH2 ARG A 166 3.093 0.513 26.125 1.00 20.32 N ATOM 0 H ARG A 166 6.385 -4.441 27.003 1.00 17.28 H new ATOM 0 HA ARG A 166 8.338 -2.782 26.579 1.00 18.10 H new ATOM 0 HB2 ARG A 166 6.934 -1.666 25.097 1.00 17.05 H new ATOM 0 HB3 ARG A 166 6.593 -3.181 24.950 1.00 17.05 H new ATOM 0 HG2 ARG A 166 4.702 -2.937 26.277 1.00 17.59 H new ATOM 0 HG3 ARG A 166 5.078 -1.458 26.601 1.00 17.59 H new ATOM 0 HD2 ARG A 166 4.601 -0.804 24.397 1.00 17.75 H new ATOM 0 HD3 ARG A 166 4.364 -2.286 23.975 1.00 17.75 H new ATOM 0 HE ARG A 166 2.375 -2.218 24.937 1.00 20.58 H new ATOM 0 HH11 ARG A 166 0.606 -1.321 25.906 1.00 21.81 H new ATOM 0 HH12 ARG A 166 0.696 0.015 26.558 1.00 21.81 H new ATOM 0 HH21 ARG A 166 3.923 0.549 25.904 1.00 20.32 H new ATOM 0 HH22 ARG A 166 2.734 1.164 26.557 1.00 20.32 H new ATOM 1378 N SER A 167 6.443 -1.827 28.847 1.00 19.15 N ATOM 1379 CA SER A 167 6.108 -0.799 29.800 1.00 20.77 C ATOM 1380 C SER A 167 5.782 -1.494 31.119 1.00 20.95 C ATOM 1381 O SER A 167 5.013 -2.440 31.157 1.00 21.33 O ATOM 1382 CB SER A 167 4.881 -0.030 29.300 1.00 20.86 C ATOM 1383 OG SER A 167 4.515 0.993 30.197 1.00 23.83 O ATOM 0 H SER A 167 6.077 -2.588 29.009 1.00 19.15 H new ATOM 0 HA SER A 167 6.841 -0.174 29.916 1.00 20.77 H new ATOM 0 HB2 SER A 167 5.070 0.353 28.429 1.00 20.86 H new ATOM 0 HB3 SER A 167 4.138 -0.643 29.185 1.00 20.86 H new ATOM 0 HG SER A 167 3.696 0.931 30.374 1.00 23.83 H new ATOM 1384 N CYS A 168 6.400 -1.033 32.188 1.00 22.30 N ATOM 1385 CA CYS A 168 6.303 -1.723 33.449 1.00 22.55 C ATOM 1386 C CYS A 168 6.114 -0.731 34.590 1.00 21.93 C ATOM 1387 O CYS A 168 6.996 0.082 34.854 1.00 20.71 O ATOM 1388 CB CYS A 168 7.589 -2.527 33.657 1.00 24.05 C ATOM 1389 SG CYS A 168 7.682 -3.290 35.278 1.00 27.43 S ATOM 0 H CYS A 168 6.881 -0.320 32.202 1.00 22.30 H new ATOM 0 HA CYS A 168 5.535 -2.316 33.440 1.00 22.55 H new ATOM 0 HB2 CYS A 168 7.648 -3.216 32.977 1.00 24.05 H new ATOM 0 HB3 CYS A 168 8.354 -1.942 33.536 1.00 24.05 H new ATOM 0 HG CYS A 168 8.602 -4.060 35.306 1.00 27.43 H new ATOM 1390 N ASP A 169 4.953 -0.799 35.237 1.00 21.45 N ATOM 1391 CA ASP A 169 4.694 -0.113 36.499 1.00 21.80 C ATOM 1392 C ASP A 169 5.340 -0.996 37.554 1.00 21.32 C ATOM 1393 O ASP A 169 4.820 -2.082 37.882 1.00 20.74 O ATOM 1394 CB ASP A 169 3.171 -0.046 36.675 1.00 22.96 C ATOM 1395 CG ASP A 169 2.737 0.320 38.070 1.00 24.99 C ATOM 1396 OD1 ASP A 169 3.567 0.383 38.989 1.00 27.11 O ATOM 1397 OD2 ASP A 169 1.520 0.538 38.249 1.00 31.64 O ATOM 0 H ASP A 169 4.282 -1.253 34.949 1.00 21.45 H new ATOM 0 HA ASP A 169 5.044 0.790 36.549 1.00 21.80 H new ATOM 0 HB2 ASP A 169 2.810 0.604 36.052 1.00 22.96 H new ATOM 0 HB3 ASP A 169 2.788 -0.906 36.441 1.00 22.96 H new ATOM 1398 N VAL A 170 6.501 -0.576 38.052 1.00 19.87 N ATOM 1399 CA VAL A 170 7.281 -1.439 38.952 1.00 19.01 C ATOM 1400 C VAL A 170 6.523 -1.826 40.235 1.00 18.55 C ATOM 1401 O VAL A 170 6.566 -2.980 40.655 1.00 17.44 O ATOM 1402 CB VAL A 170 8.635 -0.760 39.351 1.00 18.72 C ATOM 1403 CG1 VAL A 170 9.330 -1.509 40.473 1.00 19.67 C ATOM 1404 CG2 VAL A 170 9.577 -0.696 38.088 1.00 18.14 C ATOM 0 H VAL A 170 6.854 0.191 37.888 1.00 19.87 H new ATOM 0 HA VAL A 170 7.448 -2.251 38.449 1.00 19.01 H new ATOM 0 HB VAL A 170 8.442 0.135 39.670 1.00 18.72 H new ATOM 0 HG11 VAL A 170 10.162 -1.062 40.694 1.00 19.67 H new ATOM 0 HG12 VAL A 170 8.756 -1.527 41.255 1.00 19.67 H new ATOM 0 HG13 VAL A 170 9.517 -2.417 40.189 1.00 19.67 H new ATOM 0 HG21 VAL A 170 10.417 -0.276 38.331 1.00 18.14 H new ATOM 0 HG22 VAL A 170 9.747 -1.595 37.765 1.00 18.14 H new ATOM 0 HG23 VAL A 170 9.147 -0.178 37.390 1.00 18.14 H new ATOM 1405 N PHE A 171 5.870 -0.849 40.878 1.00 18.99 N ATOM 1406 CA PHE A 171 5.244 -1.128 42.176 1.00 19.41 C ATOM 1407 C PHE A 171 4.000 -2.043 42.038 1.00 20.73 C ATOM 1408 O PHE A 171 3.897 -3.056 42.724 1.00 19.82 O ATOM 1409 CB PHE A 171 4.896 0.149 42.971 1.00 19.22 C ATOM 1410 CG PHE A 171 4.164 -0.164 44.233 1.00 18.87 C ATOM 1411 CD1 PHE A 171 2.800 -0.023 44.312 1.00 16.75 C ATOM 1412 CD2 PHE A 171 4.827 -0.733 45.298 1.00 21.65 C ATOM 1413 CE1 PHE A 171 2.109 -0.379 45.483 1.00 20.51 C ATOM 1414 CE2 PHE A 171 4.145 -1.099 46.439 1.00 20.25 C ATOM 1415 CZ PHE A 171 2.780 -0.932 46.518 1.00 21.26 C ATOM 0 H PHE A 171 5.780 -0.043 40.591 1.00 18.99 H new ATOM 0 HA PHE A 171 5.916 -1.605 42.688 1.00 19.41 H new ATOM 0 HB2 PHE A 171 5.711 0.631 43.181 1.00 19.22 H new ATOM 0 HB3 PHE A 171 4.354 0.735 42.420 1.00 19.22 H new ATOM 0 HD1 PHE A 171 2.329 0.311 43.583 1.00 16.75 H new ATOM 0 HD2 PHE A 171 5.745 -0.872 45.247 1.00 21.65 H new ATOM 0 HE1 PHE A 171 1.192 -0.234 45.546 1.00 20.51 H new ATOM 0 HE2 PHE A 171 4.609 -1.461 47.159 1.00 20.25 H new ATOM 0 HZ PHE A 171 2.321 -1.199 47.282 1.00 21.26 H new ATOM 1416 N LEU A 172 3.077 -1.696 41.139 1.00 21.16 N ATOM 1417 CA LEU A 172 1.799 -2.403 41.060 1.00 23.33 C ATOM 1418 C LEU A 172 1.770 -3.537 40.034 1.00 22.28 C ATOM 1419 O LEU A 172 1.336 -4.673 40.332 1.00 22.07 O ATOM 1420 CB LEU A 172 0.698 -1.382 40.741 1.00 22.88 C ATOM 1421 CG LEU A 172 -0.640 -1.277 41.465 1.00 29.17 C ATOM 1422 CD1 LEU A 172 -0.543 -1.395 43.000 1.00 30.45 C ATOM 1423 CD2 LEU A 172 -1.355 0.033 41.088 1.00 26.08 C ATOM 0 H LEU A 172 3.171 -1.058 40.570 1.00 21.16 H new ATOM 0 HA LEU A 172 1.656 -2.828 41.920 1.00 23.33 H new ATOM 0 HB2 LEU A 172 1.113 -0.509 40.823 1.00 22.88 H new ATOM 0 HB3 LEU A 172 0.483 -1.507 39.803 1.00 22.88 H new ATOM 0 HG LEU A 172 -1.156 -2.042 41.166 1.00 29.17 H new ATOM 0 HD11 LEU A 172 -1.429 -1.319 43.387 1.00 30.45 H new ATOM 0 HD12 LEU A 172 -0.160 -2.255 43.235 1.00 30.45 H new ATOM 0 HD13 LEU A 172 0.022 -0.685 43.344 1.00 30.45 H new ATOM 0 HD21 LEU A 172 -2.203 0.085 41.556 1.00 26.08 H new ATOM 0 HD22 LEU A 172 -0.801 0.788 41.339 1.00 26.08 H new ATOM 0 HD23 LEU A 172 -1.512 0.052 40.131 1.00 26.08 H new ATOM 1424 N GLY A 173 2.214 -3.232 38.815 1.00 21.13 N ATOM 1425 CA GLY A 173 2.163 -4.196 37.739 1.00 20.19 C ATOM 1426 C GLY A 173 3.195 -5.305 37.799 1.00 19.96 C ATOM 1427 O GLY A 173 2.880 -6.481 37.533 1.00 20.53 O ATOM 0 H GLY A 173 2.547 -2.469 38.598 1.00 21.13 H new ATOM 0 HA2 GLY A 173 1.280 -4.598 37.729 1.00 20.19 H new ATOM 0 HA3 GLY A 173 2.269 -3.724 36.898 1.00 20.19 H new ATOM 1428 N LEU A 174 4.447 -4.955 38.081 1.00 18.80 N ATOM 1429 CA LEU A 174 5.524 -5.912 37.933 1.00 17.74 C ATOM 1430 C LEU A 174 5.414 -7.198 38.769 1.00 17.30 C ATOM 1431 O LEU A 174 5.666 -8.278 38.236 1.00 16.45 O ATOM 1432 CB LEU A 174 6.886 -5.235 38.197 1.00 18.14 C ATOM 1433 CG LEU A 174 8.103 -6.107 37.919 1.00 16.81 C ATOM 1434 CD1 LEU A 174 8.045 -6.710 36.479 1.00 17.34 C ATOM 1435 CD2 LEU A 174 9.375 -5.272 38.144 1.00 17.33 C ATOM 0 H LEU A 174 4.687 -4.176 38.356 1.00 18.80 H new ATOM 0 HA LEU A 174 5.448 -6.208 37.013 1.00 17.74 H new ATOM 0 HB2 LEU A 174 6.946 -4.436 37.651 1.00 18.14 H new ATOM 0 HB3 LEU A 174 6.915 -4.948 39.123 1.00 18.14 H new ATOM 0 HG LEU A 174 8.113 -6.860 38.531 1.00 16.81 H new ATOM 0 HD11 LEU A 174 8.829 -7.260 36.326 1.00 17.34 H new ATOM 0 HD12 LEU A 174 7.247 -7.253 36.387 1.00 17.34 H new ATOM 0 HD13 LEU A 174 8.023 -5.991 35.828 1.00 17.34 H new ATOM 0 HD21 LEU A 174 10.157 -5.819 37.969 1.00 17.33 H new ATOM 0 HD22 LEU A 174 9.373 -4.511 37.543 1.00 17.33 H new ATOM 0 HD23 LEU A 174 9.399 -4.959 39.062 1.00 17.33 H new ATOM 1436 N PRO A 175 5.092 -7.093 40.083 1.00 16.37 N ATOM 1437 CA PRO A 175 4.977 -8.365 40.817 1.00 16.77 C ATOM 1438 C PRO A 175 3.938 -9.310 40.185 1.00 16.74 C ATOM 1439 O PRO A 175 4.114 -10.527 40.153 1.00 18.70 O ATOM 1440 CB PRO A 175 4.503 -7.938 42.204 1.00 17.46 C ATOM 1441 CG PRO A 175 4.901 -6.453 42.349 1.00 16.12 C ATOM 1442 CD PRO A 175 4.889 -5.898 40.941 1.00 16.29 C ATOM 0 HA PRO A 175 5.815 -8.854 40.817 1.00 16.77 H new ATOM 0 HB2 PRO A 175 3.544 -8.051 42.294 1.00 17.46 H new ATOM 0 HB3 PRO A 175 4.918 -8.478 42.895 1.00 17.46 H new ATOM 0 HG2 PRO A 175 4.276 -5.977 42.918 1.00 16.12 H new ATOM 0 HG3 PRO A 175 5.778 -6.363 42.753 1.00 16.12 H new ATOM 0 HD2 PRO A 175 4.050 -5.455 40.741 1.00 16.29 H new ATOM 0 HD3 PRO A 175 5.593 -5.243 40.811 1.00 16.29 H new ATOM 1443 N PHE A 176 2.843 -8.713 39.725 1.00 17.84 N ATOM 1444 CA PHE A 176 1.766 -9.435 39.059 1.00 18.30 C ATOM 1445 C PHE A 176 2.309 -10.106 37.791 1.00 18.55 C ATOM 1446 O PHE A 176 2.061 -11.306 37.577 1.00 17.92 O ATOM 1447 CB PHE A 176 0.663 -8.424 38.735 1.00 18.82 C ATOM 1448 CG PHE A 176 -0.654 -9.039 38.280 1.00 21.07 C ATOM 1449 CD1 PHE A 176 -0.788 -9.565 36.999 1.00 23.86 C ATOM 1450 CD2 PHE A 176 -1.763 -9.025 39.129 1.00 22.90 C ATOM 1451 CE1 PHE A 176 -2.007 -10.098 36.579 1.00 23.24 C ATOM 1452 CE2 PHE A 176 -2.995 -9.561 38.717 1.00 23.78 C ATOM 1453 CZ PHE A 176 -3.092 -10.113 37.445 1.00 21.20 C ATOM 0 H PHE A 176 2.704 -7.867 39.792 1.00 17.84 H new ATOM 0 HA PHE A 176 1.403 -10.134 39.625 1.00 18.30 H new ATOM 0 HB2 PHE A 176 0.497 -7.882 39.522 1.00 18.82 H new ATOM 0 HB3 PHE A 176 0.983 -7.826 38.041 1.00 18.82 H new ATOM 0 HD1 PHE A 176 -0.061 -9.561 36.419 1.00 23.86 H new ATOM 0 HD2 PHE A 176 -1.685 -8.656 39.979 1.00 22.90 H new ATOM 0 HE1 PHE A 176 -2.093 -10.443 35.720 1.00 23.24 H new ATOM 0 HE2 PHE A 176 -3.732 -9.547 39.285 1.00 23.78 H new ATOM 0 HZ PHE A 176 -3.893 -10.497 37.171 1.00 21.20 H new ATOM 1454 N ASN A 177 2.997 -9.333 36.941 1.00 18.29 N ATOM 1455 CA ASN A 177 3.480 -9.855 35.643 1.00 19.19 C ATOM 1456 C ASN A 177 4.531 -10.959 35.816 1.00 18.16 C ATOM 1457 O ASN A 177 4.528 -11.936 35.107 1.00 15.21 O ATOM 1458 CB ASN A 177 4.046 -8.716 34.795 1.00 21.11 C ATOM 1459 CG ASN A 177 3.019 -7.642 34.494 1.00 27.92 C ATOM 1460 OD1 ASN A 177 3.392 -6.387 34.789 1.00 35.56 O flip ATOM 1461 ND2 ASN A 177 1.891 -7.923 34.008 1.00 33.61 N flip ATOM 0 H ASN A 177 3.196 -8.510 37.091 1.00 18.29 H new ATOM 0 HA ASN A 177 2.719 -10.250 35.189 1.00 19.19 H new ATOM 0 HB2 ASN A 177 4.799 -8.317 35.258 1.00 21.11 H new ATOM 0 HB3 ASN A 177 4.385 -9.077 33.961 1.00 21.11 H new ATOM 0 HD21 ASN A 177 1.690 -8.741 33.833 1.00 33.61 H new ATOM 0 HD22 ASN A 177 1.322 -7.297 33.852 1.00 33.61 H new ATOM 1462 N ILE A 178 5.421 -10.809 36.800 1.00 15.73 N ATOM 1463 CA ILE A 178 6.418 -11.857 37.063 1.00 16.16 C ATOM 1464 C ILE A 178 5.741 -13.177 37.444 1.00 16.09 C ATOM 1465 O ILE A 178 6.084 -14.223 36.927 1.00 17.91 O ATOM 1466 CB ILE A 178 7.443 -11.428 38.169 1.00 17.30 C ATOM 1467 CG1 ILE A 178 8.335 -10.284 37.668 1.00 16.84 C ATOM 1468 CG2 ILE A 178 8.302 -12.651 38.629 1.00 18.30 C ATOM 1469 CD1 ILE A 178 9.084 -9.554 38.829 1.00 17.69 C ATOM 0 H ILE A 178 5.467 -10.124 37.318 1.00 15.73 H new ATOM 0 HA ILE A 178 6.913 -11.989 36.240 1.00 16.16 H new ATOM 0 HB ILE A 178 6.947 -11.105 38.937 1.00 17.30 H new ATOM 0 HG12 ILE A 178 8.985 -10.636 37.040 1.00 16.84 H new ATOM 0 HG13 ILE A 178 7.791 -9.642 37.184 1.00 16.84 H new ATOM 0 HG21 ILE A 178 8.929 -12.367 39.312 1.00 18.30 H new ATOM 0 HG22 ILE A 178 7.720 -13.338 38.990 1.00 18.30 H new ATOM 0 HG23 ILE A 178 8.790 -13.007 37.870 1.00 18.30 H new ATOM 0 HD11 ILE A 178 9.632 -8.842 38.463 1.00 17.69 H new ATOM 0 HD12 ILE A 178 8.437 -9.178 39.446 1.00 17.69 H new ATOM 0 HD13 ILE A 178 9.648 -10.188 39.299 1.00 17.69 H new ATOM 1470 N ALA A 179 4.806 -13.142 38.384 1.00 15.53 N ATOM 1471 CA ALA A 179 4.158 -14.343 38.859 1.00 15.52 C ATOM 1472 C ALA A 179 3.319 -14.933 37.743 1.00 16.29 C ATOM 1473 O ALA A 179 3.266 -16.155 37.624 1.00 16.36 O ATOM 1474 CB ALA A 179 3.283 -14.018 40.089 1.00 14.46 C ATOM 0 H ALA A 179 4.533 -12.419 38.761 1.00 15.53 H new ATOM 0 HA ALA A 179 4.827 -14.993 39.126 1.00 15.52 H new ATOM 0 HB1 ALA A 179 2.851 -14.828 40.402 1.00 14.46 H new ATOM 0 HB2 ALA A 179 3.840 -13.655 40.795 1.00 14.46 H new ATOM 0 HB3 ALA A 179 2.608 -13.367 39.843 1.00 14.46 H new ATOM 1475 N SER A 180 2.708 -14.064 36.909 1.00 16.68 N ATOM 1476 CA SER A 180 1.911 -14.552 35.801 1.00 17.77 C ATOM 1477 C SER A 180 2.721 -15.476 34.869 1.00 17.01 C ATOM 1478 O SER A 180 2.311 -16.602 34.545 1.00 16.83 O ATOM 1479 CB SER A 180 1.295 -13.379 35.009 1.00 18.12 C ATOM 1480 OG SER A 180 0.580 -13.882 33.886 1.00 23.03 O ATOM 0 H SER A 180 2.750 -13.208 36.978 1.00 16.68 H new ATOM 0 HA SER A 180 1.191 -15.082 36.177 1.00 17.77 H new ATOM 0 HB2 SER A 180 0.700 -12.869 35.580 1.00 18.12 H new ATOM 0 HB3 SER A 180 1.994 -12.774 34.714 1.00 18.12 H new ATOM 0 HG SER A 180 -0.236 -13.702 33.970 1.00 23.03 H new ATOM 1481 N TYR A 181 3.859 -14.980 34.416 1.00 17.07 N ATOM 1482 CA TYR A 181 4.687 -15.734 33.478 1.00 17.23 C ATOM 1483 C TYR A 181 5.403 -16.900 34.138 1.00 17.14 C ATOM 1484 O TYR A 181 5.606 -17.959 33.519 1.00 17.03 O ATOM 1485 CB TYR A 181 5.627 -14.810 32.680 1.00 16.95 C ATOM 1486 CG TYR A 181 4.879 -14.193 31.520 1.00 17.85 C ATOM 1487 CD1 TYR A 181 4.820 -14.837 30.281 1.00 16.00 C ATOM 1488 CD2 TYR A 181 4.152 -12.996 31.687 1.00 16.69 C ATOM 1489 CE1 TYR A 181 4.035 -14.272 29.214 1.00 16.02 C ATOM 1490 CE2 TYR A 181 3.419 -12.425 30.642 1.00 18.25 C ATOM 1491 CZ TYR A 181 3.361 -13.089 29.419 1.00 17.72 C ATOM 1492 OH TYR A 181 2.660 -12.513 28.381 1.00 19.99 O ATOM 0 H TYR A 181 4.174 -14.210 34.636 1.00 17.07 H new ATOM 0 HA TYR A 181 4.090 -16.138 32.829 1.00 17.23 H new ATOM 0 HB2 TYR A 181 5.976 -14.113 33.258 1.00 16.95 H new ATOM 0 HB3 TYR A 181 6.388 -15.314 32.353 1.00 16.95 H new ATOM 0 HD1 TYR A 181 5.287 -15.630 30.146 1.00 16.00 H new ATOM 0 HD2 TYR A 181 4.160 -12.574 32.516 1.00 16.69 H new ATOM 0 HE1 TYR A 181 3.984 -14.703 28.392 1.00 16.02 H new ATOM 0 HE2 TYR A 181 2.978 -11.615 30.762 1.00 18.25 H new ATOM 0 HH TYR A 181 2.081 -11.989 28.690 1.00 19.99 H new ATOM 1493 N ALA A 182 5.777 -16.729 35.409 1.00 16.98 N ATOM 1494 CA ALA A 182 6.328 -17.869 36.145 1.00 16.38 C ATOM 1495 C ALA A 182 5.308 -19.028 36.246 1.00 16.43 C ATOM 1496 O ALA A 182 5.635 -20.192 36.089 1.00 15.21 O ATOM 1497 CB ALA A 182 6.788 -17.403 37.516 1.00 16.48 C ATOM 0 H ALA A 182 5.723 -15.992 35.849 1.00 16.98 H new ATOM 0 HA ALA A 182 7.092 -18.219 35.660 1.00 16.38 H new ATOM 0 HB1 ALA A 182 7.154 -18.155 38.008 1.00 16.48 H new ATOM 0 HB2 ALA A 182 7.470 -16.721 37.414 1.00 16.48 H new ATOM 0 HB3 ALA A 182 6.034 -17.035 38.003 1.00 16.48 H new ATOM 1498 N LEU A 183 4.059 -18.690 36.509 1.00 16.92 N ATOM 1499 CA LEU A 183 3.002 -19.664 36.534 1.00 18.35 C ATOM 1500 C LEU A 183 2.934 -20.334 35.161 1.00 16.88 C ATOM 1501 O LEU A 183 2.879 -21.563 35.086 1.00 17.36 O ATOM 1502 CB LEU A 183 1.702 -18.955 36.836 1.00 18.73 C ATOM 1503 CG LEU A 183 0.485 -19.659 37.374 1.00 25.47 C ATOM 1504 CD1 LEU A 183 0.867 -20.623 38.535 1.00 24.68 C ATOM 1505 CD2 LEU A 183 -0.481 -18.547 37.858 1.00 24.95 C ATOM 0 H LEU A 183 3.805 -17.886 36.678 1.00 16.92 H new ATOM 0 HA LEU A 183 3.163 -20.337 37.214 1.00 18.35 H new ATOM 0 HB2 LEU A 183 1.914 -18.251 37.469 1.00 18.73 H new ATOM 0 HB3 LEU A 183 1.427 -18.523 36.012 1.00 18.73 H new ATOM 0 HG LEU A 183 0.066 -20.209 36.693 1.00 25.47 H new ATOM 0 HD11 LEU A 183 0.069 -21.064 38.865 1.00 24.68 H new ATOM 0 HD12 LEU A 183 1.493 -21.289 38.210 1.00 24.68 H new ATOM 0 HD13 LEU A 183 1.277 -20.117 39.254 1.00 24.68 H new ATOM 0 HD21 LEU A 183 -1.287 -18.951 38.216 1.00 24.95 H new ATOM 0 HD22 LEU A 183 -0.049 -18.021 38.549 1.00 24.95 H new ATOM 0 HD23 LEU A 183 -0.713 -17.972 37.112 1.00 24.95 H new ATOM 1506 N LEU A 184 2.941 -19.544 34.093 1.00 18.02 N ATOM 1507 CA LEU A 184 2.846 -20.116 32.742 1.00 17.04 C ATOM 1508 C LEU A 184 3.980 -21.092 32.429 1.00 17.21 C ATOM 1509 O LEU A 184 3.782 -22.185 31.844 1.00 15.86 O ATOM 1510 CB LEU A 184 2.804 -19.019 31.672 1.00 18.24 C ATOM 1511 CG LEU A 184 2.730 -19.557 30.237 1.00 16.24 C ATOM 1512 CD1 LEU A 184 1.487 -20.440 30.004 1.00 19.34 C ATOM 1513 CD2 LEU A 184 2.751 -18.345 29.281 1.00 14.96 C ATOM 0 H LEU A 184 2.999 -18.686 34.121 1.00 18.02 H new ATOM 0 HA LEU A 184 2.014 -20.614 32.725 1.00 17.04 H new ATOM 0 HB2 LEU A 184 2.036 -18.449 31.835 1.00 18.24 H new ATOM 0 HB3 LEU A 184 3.594 -18.463 31.760 1.00 18.24 H new ATOM 0 HG LEU A 184 3.492 -20.134 30.068 1.00 16.24 H new ATOM 0 HD11 LEU A 184 1.482 -20.756 29.087 1.00 19.34 H new ATOM 0 HD12 LEU A 184 1.511 -21.199 30.607 1.00 19.34 H new ATOM 0 HD13 LEU A 184 0.685 -19.921 30.171 1.00 19.34 H new ATOM 0 HD21 LEU A 184 2.705 -18.656 28.363 1.00 14.96 H new ATOM 0 HD22 LEU A 184 1.990 -17.773 29.467 1.00 14.96 H new ATOM 0 HD23 LEU A 184 3.571 -17.844 29.412 1.00 14.96 H new ATOM 1514 N VAL A 185 5.191 -20.711 32.824 1.00 16.77 N ATOM 1515 CA VAL A 185 6.311 -21.642 32.671 1.00 17.55 C ATOM 1516 C VAL A 185 6.093 -22.987 33.401 1.00 17.09 C ATOM 1517 O VAL A 185 6.371 -24.048 32.848 1.00 16.75 O ATOM 1518 CB VAL A 185 7.665 -21.040 33.197 1.00 17.34 C ATOM 1519 CG1 VAL A 185 8.801 -22.130 33.178 1.00 16.55 C ATOM 1520 CG2 VAL A 185 8.031 -19.820 32.377 1.00 19.19 C ATOM 0 H VAL A 185 5.384 -19.948 33.171 1.00 16.77 H new ATOM 0 HA VAL A 185 6.358 -21.798 31.715 1.00 17.55 H new ATOM 0 HB VAL A 185 7.559 -20.760 34.120 1.00 17.34 H new ATOM 0 HG11 VAL A 185 9.628 -21.742 33.505 1.00 16.55 H new ATOM 0 HG12 VAL A 185 8.546 -22.873 33.747 1.00 16.55 H new ATOM 0 HG13 VAL A 185 8.930 -22.447 32.271 1.00 16.55 H new ATOM 0 HG21 VAL A 185 8.866 -19.450 32.703 1.00 19.19 H new ATOM 0 HG22 VAL A 185 8.131 -20.074 31.446 1.00 19.19 H new ATOM 0 HG23 VAL A 185 7.330 -19.154 32.456 1.00 19.19 H new ATOM 1521 N HIS A 186 5.679 -22.927 34.659 1.00 17.57 N ATOM 1522 CA HIS A 186 5.389 -24.143 35.422 1.00 16.93 C ATOM 1523 C HIS A 186 4.346 -25.003 34.742 1.00 17.77 C ATOM 1524 O HIS A 186 4.457 -26.222 34.743 1.00 17.30 O ATOM 1525 CB HIS A 186 4.894 -23.796 36.825 1.00 17.06 C ATOM 1526 CG HIS A 186 6.017 -23.568 37.778 1.00 18.34 C ATOM 1527 ND1 HIS A 186 6.607 -24.587 38.499 1.00 20.81 N ATOM 1528 CD2 HIS A 186 6.675 -22.435 38.112 1.00 18.16 C ATOM 1529 CE1 HIS A 186 7.573 -24.086 39.254 1.00 19.04 C ATOM 1530 NE2 HIS A 186 7.632 -22.782 39.041 1.00 17.80 N ATOM 0 H HIS A 186 5.558 -22.195 35.093 1.00 17.57 H new ATOM 0 HA HIS A 186 6.220 -24.641 35.475 1.00 16.93 H new ATOM 0 HB2 HIS A 186 4.341 -23.000 36.783 1.00 17.06 H new ATOM 0 HB3 HIS A 186 4.333 -24.515 37.155 1.00 17.06 H new ATOM 0 HD2 HIS A 186 6.512 -21.582 37.778 1.00 18.16 H new ATOM 0 HE1 HIS A 186 8.117 -24.568 39.834 1.00 19.04 H new ATOM 0 HE2 HIS A 186 8.179 -22.238 39.421 1.00 17.80 H new ATOM 1531 N MET A 187 3.312 -24.360 34.205 1.00 18.58 N ATOM 1532 CA MET A 187 2.258 -25.081 33.475 1.00 19.40 C ATOM 1533 C MET A 187 2.797 -25.743 32.189 1.00 19.96 C ATOM 1534 O MET A 187 2.576 -26.947 31.950 1.00 19.98 O ATOM 1535 CB MET A 187 1.138 -24.120 33.161 1.00 18.90 C ATOM 1536 CG MET A 187 0.440 -23.592 34.435 1.00 18.65 C ATOM 1537 SD MET A 187 -0.544 -22.099 34.125 1.00 19.76 S ATOM 1538 CE MET A 187 -1.871 -22.738 33.071 1.00 22.33 C ATOM 0 H MET A 187 3.198 -23.509 34.249 1.00 18.58 H new ATOM 0 HA MET A 187 1.925 -25.799 34.036 1.00 19.40 H new ATOM 0 HB2 MET A 187 1.490 -23.371 32.654 1.00 18.90 H new ATOM 0 HB3 MET A 187 0.484 -24.562 32.597 1.00 18.90 H new ATOM 0 HG2 MET A 187 -0.135 -24.285 34.795 1.00 18.65 H new ATOM 0 HG3 MET A 187 1.109 -23.400 35.110 1.00 18.65 H new ATOM 0 HE1 MET A 187 -2.409 -22.000 32.745 1.00 22.33 H new ATOM 0 HE2 MET A 187 -1.486 -23.214 32.319 1.00 22.33 H new ATOM 0 HE3 MET A 187 -2.429 -23.343 33.584 1.00 22.33 H new ATOM 1539 N MET A 188 3.495 -24.963 31.369 1.00 20.11 N ATOM 1540 CA MET A 188 4.111 -25.502 30.167 1.00 20.70 C ATOM 1541 C MET A 188 5.099 -26.637 30.512 1.00 20.94 C ATOM 1542 O MET A 188 5.133 -27.682 29.849 1.00 21.83 O ATOM 1543 CB MET A 188 4.812 -24.391 29.371 1.00 21.31 C ATOM 1544 CG MET A 188 3.909 -23.335 28.768 1.00 26.99 C ATOM 1545 SD MET A 188 3.158 -23.839 27.173 1.00 39.37 S ATOM 1546 CE MET A 188 4.003 -25.354 26.846 1.00 32.01 C ATOM 0 H MET A 188 3.622 -24.121 31.492 1.00 20.11 H new ATOM 0 HA MET A 188 3.409 -25.876 29.612 1.00 20.70 H new ATOM 0 HB2 MET A 188 5.449 -23.951 29.956 1.00 21.31 H new ATOM 0 HB3 MET A 188 5.321 -24.802 28.655 1.00 21.31 H new ATOM 0 HG2 MET A 188 3.202 -23.126 29.398 1.00 26.99 H new ATOM 0 HG3 MET A 188 4.420 -22.521 28.634 1.00 26.99 H new ATOM 0 HE1 MET A 188 3.857 -25.613 25.923 1.00 32.01 H new ATOM 0 HE2 MET A 188 4.953 -25.235 27.002 1.00 32.01 H new ATOM 0 HE3 MET A 188 3.664 -26.047 27.434 1.00 32.01 H new ATOM 1547 N ALA A 189 5.889 -26.445 31.567 1.00 19.49 N ATOM 1548 CA ALA A 189 6.874 -27.442 31.949 1.00 19.53 C ATOM 1549 C ALA A 189 6.181 -28.746 32.291 1.00 19.43 C ATOM 1550 O ALA A 189 6.602 -29.819 31.875 1.00 20.99 O ATOM 1551 CB ALA A 189 7.690 -26.934 33.134 1.00 17.55 C ATOM 0 H ALA A 189 5.868 -25.747 32.069 1.00 19.49 H new ATOM 0 HA ALA A 189 7.477 -27.602 31.206 1.00 19.53 H new ATOM 0 HB1 ALA A 189 8.346 -27.603 33.386 1.00 17.55 H new ATOM 0 HB2 ALA A 189 8.144 -26.113 32.887 1.00 17.55 H new ATOM 0 HB3 ALA A 189 7.099 -26.763 33.884 1.00 17.55 H new ATOM 1552 N GLN A 190 5.076 -28.644 33.023 1.00 20.17 N ATOM 1553 CA GLN A 190 4.357 -29.827 33.491 1.00 19.61 C ATOM 1554 C GLN A 190 3.797 -30.549 32.268 1.00 19.45 C ATOM 1555 O GLN A 190 3.854 -31.765 32.159 1.00 20.24 O ATOM 1556 CB GLN A 190 3.228 -29.378 34.399 1.00 19.62 C ATOM 1557 CG GLN A 190 2.325 -30.480 34.838 1.00 21.41 C ATOM 1558 CD GLN A 190 1.496 -30.069 36.034 1.00 24.71 C ATOM 1559 OE1 GLN A 190 0.542 -29.222 35.797 1.00 25.88 O flip ATOM 1560 NE2 GLN A 190 1.738 -30.498 37.167 1.00 21.40 N flip ATOM 0 H GLN A 190 4.724 -27.896 33.261 1.00 20.17 H new ATOM 0 HA GLN A 190 4.941 -30.424 33.984 1.00 19.61 H new ATOM 0 HB2 GLN A 190 3.607 -28.951 35.183 1.00 19.62 H new ATOM 0 HB3 GLN A 190 2.702 -28.706 33.937 1.00 19.62 H new ATOM 0 HG2 GLN A 190 1.739 -30.731 34.107 1.00 21.41 H new ATOM 0 HG3 GLN A 190 2.852 -31.263 35.061 1.00 21.41 H new ATOM 0 HE21 GLN A 190 2.379 -31.059 37.287 1.00 21.40 H new ATOM 0 HE22 GLN A 190 1.266 -30.236 37.836 1.00 21.40 H new ATOM 1561 N GLN A 191 3.250 -29.778 31.351 1.00 19.73 N ATOM 1562 CA GLN A 191 2.610 -30.361 30.172 1.00 20.32 C ATOM 1563 C GLN A 191 3.612 -30.971 29.199 1.00 22.65 C ATOM 1564 O GLN A 191 3.246 -31.799 28.355 1.00 22.27 O ATOM 1565 CB GLN A 191 1.767 -29.327 29.424 1.00 19.71 C ATOM 1566 CG GLN A 191 0.475 -28.942 30.158 1.00 20.64 C ATOM 1567 CD GLN A 191 -0.351 -30.171 30.519 1.00 20.84 C ATOM 1568 OE1 GLN A 191 -0.621 -30.991 29.660 1.00 20.37 O ATOM 1569 NE2 GLN A 191 -0.739 -30.297 31.786 1.00 17.20 N ATOM 0 H GLN A 191 3.234 -28.919 31.384 1.00 19.73 H new ATOM 0 HA GLN A 191 2.039 -31.069 30.509 1.00 20.32 H new ATOM 0 HB2 GLN A 191 2.299 -28.529 29.281 1.00 19.71 H new ATOM 0 HB3 GLN A 191 1.541 -29.677 28.548 1.00 19.71 H new ATOM 0 HG2 GLN A 191 0.694 -28.450 30.965 1.00 20.64 H new ATOM 0 HG3 GLN A 191 -0.052 -28.350 29.599 1.00 20.64 H new ATOM 0 HE21 GLN A 191 -0.527 -29.695 32.362 1.00 17.20 H new ATOM 0 HE22 GLN A 191 -1.201 -30.981 32.028 1.00 17.20 H new ATOM 1570 N CYS A 192 4.866 -30.540 29.273 1.00 22.38 N ATOM 1571 CA CYS A 192 5.889 -31.055 28.371 1.00 23.90 C ATOM 1572 C CYS A 192 6.835 -31.998 29.093 1.00 24.39 C ATOM 1573 O CYS A 192 7.820 -32.445 28.515 1.00 24.95 O ATOM 1574 CB CYS A 192 6.666 -29.877 27.737 1.00 24.30 C ATOM 1575 SG CYS A 192 5.578 -28.847 26.758 1.00 27.39 S ATOM 0 H CYS A 192 5.145 -29.952 29.836 1.00 22.38 H new ATOM 0 HA CYS A 192 5.454 -31.562 27.668 1.00 23.90 H new ATOM 0 HB2 CYS A 192 7.080 -29.345 28.435 1.00 24.30 H new ATOM 0 HB3 CYS A 192 7.382 -30.220 27.179 1.00 24.30 H new ATOM 0 HG CYS A 192 5.049 -28.036 27.467 1.00 27.39 H new ATOM 1576 N ASP A 193 6.525 -32.334 30.336 1.00 24.62 N ATOM 1577 CA ASP A 193 7.397 -33.182 31.156 1.00 25.37 C ATOM 1578 C ASP A 193 8.829 -32.650 31.211 1.00 25.29 C ATOM 1579 O ASP A 193 9.790 -33.391 31.007 1.00 25.75 O ATOM 1580 CB ASP A 193 7.367 -34.636 30.662 1.00 27.09 C ATOM 1581 CG ASP A 193 5.991 -35.262 30.822 1.00 30.55 C ATOM 1582 OD1 ASP A 193 5.507 -35.334 31.983 1.00 36.82 O ATOM 1583 OD2 ASP A 193 5.387 -35.612 29.786 1.00 36.56 O ATOM 0 H ASP A 193 5.806 -32.081 30.733 1.00 24.62 H new ATOM 0 HA ASP A 193 7.051 -33.160 32.062 1.00 25.37 H new ATOM 0 HB2 ASP A 193 7.628 -34.665 29.728 1.00 27.09 H new ATOM 0 HB3 ASP A 193 8.019 -35.158 31.156 1.00 27.09 H new ATOM 1584 N LEU A 194 8.952 -31.339 31.405 1.00 24.43 N ATOM 1585 CA LEU A 194 10.236 -30.699 31.576 1.00 22.89 C ATOM 1586 C LEU A 194 10.316 -30.168 32.987 1.00 22.95 C ATOM 1587 O LEU A 194 9.284 -29.985 33.628 1.00 22.47 O ATOM 1588 CB LEU A 194 10.349 -29.538 30.602 1.00 23.02 C ATOM 1589 CG LEU A 194 10.441 -29.892 29.120 1.00 23.92 C ATOM 1590 CD1 LEU A 194 10.355 -28.642 28.223 1.00 25.17 C ATOM 1591 CD2 LEU A 194 11.725 -30.698 28.875 1.00 23.93 C ATOM 0 H LEU A 194 8.284 -30.799 31.440 1.00 24.43 H new ATOM 0 HA LEU A 194 10.952 -31.332 31.411 1.00 22.89 H new ATOM 0 HB2 LEU A 194 9.579 -28.961 30.728 1.00 23.02 H new ATOM 0 HB3 LEU A 194 11.134 -29.020 30.839 1.00 23.02 H new ATOM 0 HG LEU A 194 9.679 -30.441 28.877 1.00 23.92 H new ATOM 0 HD11 LEU A 194 10.417 -28.907 27.292 1.00 25.17 H new ATOM 0 HD12 LEU A 194 9.509 -28.192 28.375 1.00 25.17 H new ATOM 0 HD13 LEU A 194 11.085 -28.039 28.437 1.00 25.17 H new ATOM 0 HD21 LEU A 194 11.789 -30.926 27.934 1.00 23.93 H new ATOM 0 HD22 LEU A 194 12.495 -30.167 29.132 1.00 23.93 H new ATOM 0 HD23 LEU A 194 11.703 -31.511 29.404 1.00 23.93 H new ATOM 1592 N GLU A 195 11.538 -29.898 33.456 1.00 22.79 N ATOM 1593 CA GLU A 195 11.749 -29.216 34.732 1.00 23.90 C ATOM 1594 C GLU A 195 11.669 -27.717 34.459 1.00 23.21 C ATOM 1595 O GLU A 195 11.934 -27.291 33.345 1.00 22.33 O ATOM 1596 CB GLU A 195 13.139 -29.507 35.256 1.00 25.22 C ATOM 1597 CG GLU A 195 13.266 -30.814 36.032 1.00 31.00 C ATOM 1598 CD GLU A 195 12.497 -30.798 37.339 1.00 39.44 C ATOM 1599 OE1 GLU A 195 12.483 -29.755 38.042 1.00 43.03 O ATOM 1600 OE2 GLU A 195 11.900 -31.844 37.670 1.00 43.93 O ATOM 0 H GLU A 195 12.264 -30.105 33.043 1.00 22.79 H new ATOM 0 HA GLU A 195 11.089 -29.512 35.378 1.00 23.90 H new ATOM 0 HB2 GLU A 195 13.756 -29.528 34.508 1.00 25.22 H new ATOM 0 HB3 GLU A 195 13.415 -28.776 35.831 1.00 25.22 H new ATOM 0 HG2 GLU A 195 12.945 -31.545 35.481 1.00 31.00 H new ATOM 0 HG3 GLU A 195 14.203 -30.987 36.215 1.00 31.00 H new ATOM 1601 N VAL A 196 11.343 -26.924 35.461 1.00 21.88 N ATOM 1602 CA VAL A 196 11.405 -25.461 35.259 1.00 21.36 C ATOM 1603 C VAL A 196 12.850 -24.965 35.279 1.00 21.67 C ATOM 1604 O VAL A 196 13.689 -25.444 36.093 1.00 19.73 O ATOM 1605 CB VAL A 196 10.567 -24.668 36.302 1.00 21.35 C ATOM 1606 CG1 VAL A 196 9.069 -24.846 36.046 1.00 22.05 C ATOM 1607 CG2 VAL A 196 10.966 -25.006 37.767 1.00 20.17 C ATOM 0 H VAL A 196 11.091 -27.184 36.241 1.00 21.88 H new ATOM 0 HA VAL A 196 11.016 -25.296 34.386 1.00 21.36 H new ATOM 0 HB VAL A 196 10.772 -23.727 36.186 1.00 21.35 H new ATOM 0 HG11 VAL A 196 8.566 -24.344 36.706 1.00 22.05 H new ATOM 0 HG12 VAL A 196 8.851 -24.521 35.158 1.00 22.05 H new ATOM 0 HG13 VAL A 196 8.839 -25.786 36.111 1.00 22.05 H new ATOM 0 HG21 VAL A 196 10.419 -24.489 38.379 1.00 20.17 H new ATOM 0 HG22 VAL A 196 10.828 -25.952 37.930 1.00 20.17 H new ATOM 0 HG23 VAL A 196 11.901 -24.787 37.907 1.00 20.17 H new ATOM 1608 N GLY A 197 13.137 -24.003 34.391 1.00 20.76 N ATOM 1609 CA GLY A 197 14.460 -23.398 34.271 1.00 20.60 C ATOM 1610 C GLY A 197 14.397 -21.975 34.800 1.00 20.17 C ATOM 1611 O GLY A 197 13.981 -21.757 35.944 1.00 20.37 O ATOM 0 H GLY A 197 12.560 -23.684 33.839 1.00 20.76 H new ATOM 0 HA2 GLY A 197 15.112 -23.914 34.771 1.00 20.60 H new ATOM 0 HA3 GLY A 197 14.747 -23.400 33.345 1.00 20.60 H new ATOM 1612 N ASP A 198 14.845 -21.013 33.988 1.00 19.18 N ATOM 1613 CA ASP A 198 14.810 -19.605 34.397 1.00 19.46 C ATOM 1614 C ASP A 198 13.626 -18.869 33.806 1.00 19.40 C ATOM 1615 O ASP A 198 13.206 -19.140 32.675 1.00 18.97 O ATOM 1616 CB ASP A 198 16.072 -18.842 33.956 1.00 19.13 C ATOM 1617 CG ASP A 198 17.323 -19.405 34.514 1.00 19.98 C ATOM 1618 OD1 ASP A 198 17.352 -19.871 35.690 1.00 20.72 O ATOM 1619 OD2 ASP A 198 18.306 -19.364 33.747 1.00 19.73 O ATOM 0 H ASP A 198 15.170 -21.152 33.204 1.00 19.18 H new ATOM 0 HA ASP A 198 14.747 -19.627 35.365 1.00 19.46 H new ATOM 0 HB2 ASP A 198 16.125 -18.850 32.987 1.00 19.13 H new ATOM 0 HB3 ASP A 198 15.993 -17.914 34.228 1.00 19.13 H new ATOM 1620 N PHE A 199 13.106 -17.907 34.559 1.00 19.10 N ATOM 1621 CA PHE A 199 12.246 -16.895 33.959 1.00 17.61 C ATOM 1622 C PHE A 199 13.032 -15.594 33.877 1.00 18.47 C ATOM 1623 O PHE A 199 13.496 -15.087 34.905 1.00 16.71 O ATOM 1624 CB PHE A 199 10.922 -16.672 34.714 1.00 16.99 C ATOM 1625 CG PHE A 199 10.120 -15.459 34.191 1.00 18.92 C ATOM 1626 CD1 PHE A 199 9.714 -15.415 32.849 1.00 17.56 C ATOM 1627 CD2 PHE A 199 9.833 -14.385 35.007 1.00 17.65 C ATOM 1628 CE1 PHE A 199 9.033 -14.337 32.333 1.00 17.13 C ATOM 1629 CE2 PHE A 199 9.132 -13.295 34.527 1.00 17.82 C ATOM 1630 CZ PHE A 199 8.729 -13.277 33.142 1.00 17.85 C ATOM 0 H PHE A 199 13.235 -17.822 35.405 1.00 19.10 H new ATOM 0 HA PHE A 199 11.990 -17.212 33.079 1.00 17.61 H new ATOM 0 HB2 PHE A 199 10.376 -17.470 34.640 1.00 16.99 H new ATOM 0 HB3 PHE A 199 11.111 -16.545 35.657 1.00 16.99 H new ATOM 0 HD1 PHE A 199 9.911 -16.134 32.293 1.00 17.56 H new ATOM 0 HD2 PHE A 199 10.115 -14.394 35.893 1.00 17.65 H new ATOM 0 HE1 PHE A 199 8.780 -14.329 31.438 1.00 17.13 H new ATOM 0 HE2 PHE A 199 8.923 -12.584 35.089 1.00 17.82 H new ATOM 0 HZ PHE A 199 8.264 -12.547 32.801 1.00 17.85 H new ATOM 1631 N VAL A 200 13.187 -15.085 32.651 1.00 17.51 N ATOM 1632 CA VAL A 200 13.958 -13.862 32.396 1.00 17.06 C ATOM 1633 C VAL A 200 13.006 -12.755 32.075 1.00 17.14 C ATOM 1634 O VAL A 200 12.263 -12.850 31.101 1.00 16.47 O ATOM 1635 CB VAL A 200 14.996 -14.072 31.223 1.00 16.85 C ATOM 1636 CG1 VAL A 200 15.808 -12.795 30.994 1.00 16.47 C ATOM 1637 CG2 VAL A 200 15.915 -15.232 31.544 1.00 17.68 C ATOM 0 H VAL A 200 12.848 -15.439 31.944 1.00 17.51 H new ATOM 0 HA VAL A 200 14.469 -13.634 33.188 1.00 17.06 H new ATOM 0 HB VAL A 200 14.510 -14.276 30.409 1.00 16.85 H new ATOM 0 HG11 VAL A 200 16.440 -12.938 30.272 1.00 16.47 H new ATOM 0 HG12 VAL A 200 15.210 -12.068 30.760 1.00 16.47 H new ATOM 0 HG13 VAL A 200 16.290 -12.568 31.805 1.00 16.47 H new ATOM 0 HG21 VAL A 200 16.548 -15.354 30.819 1.00 17.68 H new ATOM 0 HG22 VAL A 200 16.396 -15.046 32.365 1.00 17.68 H new ATOM 0 HG23 VAL A 200 15.390 -16.040 31.653 1.00 17.68 H new ATOM 1638 N TRP A 201 13.003 -11.719 32.912 1.00 15.97 N ATOM 1639 CA TRP A 201 12.124 -10.599 32.722 1.00 17.61 C ATOM 1640 C TRP A 201 12.914 -9.466 32.096 1.00 17.41 C ATOM 1641 O TRP A 201 13.923 -9.024 32.616 1.00 18.08 O ATOM 1642 CB TRP A 201 11.420 -10.150 34.044 1.00 18.45 C ATOM 1643 CG TRP A 201 10.479 -8.977 33.827 1.00 19.15 C ATOM 1644 CD1 TRP A 201 9.127 -9.040 33.536 1.00 19.44 C ATOM 1645 CD2 TRP A 201 10.825 -7.597 33.810 1.00 19.58 C ATOM 1646 NE1 TRP A 201 8.617 -7.771 33.399 1.00 20.21 N ATOM 1647 CE2 TRP A 201 9.638 -6.866 33.531 1.00 17.44 C ATOM 1648 CE3 TRP A 201 12.022 -6.887 34.018 1.00 19.59 C ATOM 1649 CZ2 TRP A 201 9.619 -5.473 33.463 1.00 17.61 C ATOM 1650 CZ3 TRP A 201 11.996 -5.503 33.934 1.00 19.17 C ATOM 1651 CH2 TRP A 201 10.804 -4.810 33.665 1.00 19.95 C ATOM 0 H TRP A 201 13.514 -11.657 33.601 1.00 15.97 H new ATOM 0 HA TRP A 201 11.406 -10.867 32.128 1.00 17.61 H new ATOM 0 HB2 TRP A 201 10.923 -10.897 34.413 1.00 18.45 H new ATOM 0 HB3 TRP A 201 12.092 -9.906 34.699 1.00 18.45 H new ATOM 0 HD1 TRP A 201 8.636 -9.825 33.446 1.00 19.44 H new ATOM 0 HE1 TRP A 201 7.792 -7.577 33.254 1.00 20.21 H new ATOM 0 HE3 TRP A 201 12.814 -7.336 34.208 1.00 19.59 H new ATOM 0 HZ2 TRP A 201 8.832 -5.010 33.287 1.00 17.61 H new ATOM 0 HZ3 TRP A 201 12.783 -5.024 34.058 1.00 19.17 H new ATOM 0 HH2 TRP A 201 10.818 -3.881 33.623 1.00 19.95 H new ATOM 1652 N THR A 202 12.435 -9.006 30.947 1.00 17.11 N ATOM 1653 CA THR A 202 13.070 -7.910 30.262 1.00 17.07 C ATOM 1654 C THR A 202 12.095 -6.764 30.077 1.00 17.94 C ATOM 1655 O THR A 202 10.968 -6.948 29.563 1.00 16.41 O ATOM 1656 CB THR A 202 13.660 -8.354 28.910 1.00 17.82 C ATOM 1657 OG1 THR A 202 14.753 -9.234 29.174 1.00 17.61 O ATOM 1658 CG2 THR A 202 14.169 -7.135 28.141 1.00 17.31 C ATOM 0 H THR A 202 11.739 -9.322 30.552 1.00 17.11 H new ATOM 0 HA THR A 202 13.807 -7.602 30.813 1.00 17.07 H new ATOM 0 HB THR A 202 12.981 -8.799 28.379 1.00 17.82 H new ATOM 0 HG1 THR A 202 14.770 -9.841 28.594 1.00 17.61 H new ATOM 0 HG21 THR A 202 14.539 -7.420 27.291 1.00 17.31 H new ATOM 0 HG22 THR A 202 13.434 -6.521 27.984 1.00 17.31 H new ATOM 0 HG23 THR A 202 14.857 -6.689 28.660 1.00 17.31 H new ATOM 1659 N GLY A 203 12.522 -5.579 30.525 1.00 18.17 N ATOM 1660 CA GLY A 203 11.670 -4.405 30.447 1.00 17.53 C ATOM 1661 C GLY A 203 12.108 -3.323 29.497 1.00 18.19 C ATOM 1662 O GLY A 203 13.308 -3.060 29.318 1.00 16.99 O ATOM 0 H GLY A 203 13.296 -5.441 30.874 1.00 18.17 H new ATOM 0 HA2 GLY A 203 10.779 -4.692 30.191 1.00 17.53 H new ATOM 0 HA3 GLY A 203 11.600 -4.020 31.335 1.00 17.53 H new ATOM 1663 N GLY A 204 11.124 -2.670 28.870 1.00 17.07 N ATOM 1664 CA GLY A 204 11.431 -1.433 28.163 1.00 17.23 C ATOM 1665 C GLY A 204 11.331 -0.243 29.117 1.00 17.86 C ATOM 1666 O GLY A 204 12.194 -0.055 29.962 1.00 16.40 O ATOM 0 H GLY A 204 10.301 -2.919 28.844 1.00 17.07 H new ATOM 0 HA2 GLY A 204 12.324 -1.480 27.787 1.00 17.23 H new ATOM 0 HA3 GLY A 204 10.816 -1.315 27.422 1.00 17.23 H new ATOM 1667 N ASP A 205 10.285 0.570 28.967 1.00 17.04 N ATOM 1668 CA ASP A 205 10.074 1.721 29.854 1.00 18.23 C ATOM 1669 C ASP A 205 9.611 1.243 31.228 1.00 18.35 C ATOM 1670 O ASP A 205 8.462 0.791 31.413 1.00 18.59 O ATOM 1671 CB ASP A 205 9.051 2.702 29.251 1.00 18.78 C ATOM 1672 CG ASP A 205 8.907 3.985 30.085 1.00 20.73 C ATOM 1673 OD1 ASP A 205 9.044 3.951 31.322 1.00 20.27 O ATOM 1674 OD2 ASP A 205 8.675 5.054 29.487 1.00 23.74 O ATOM 0 H ASP A 205 9.685 0.474 28.359 1.00 17.04 H new ATOM 0 HA ASP A 205 10.917 2.192 29.952 1.00 18.23 H new ATOM 0 HB2 ASP A 205 9.322 2.934 28.349 1.00 18.78 H new ATOM 0 HB3 ASP A 205 8.188 2.264 29.184 1.00 18.78 H new ATOM 1675 N THR A 206 10.523 1.300 32.194 1.00 18.35 N ATOM 1676 CA THR A 206 10.328 0.654 33.486 1.00 19.75 C ATOM 1677 C THR A 206 10.331 1.774 34.512 1.00 20.48 C ATOM 1678 O THR A 206 11.357 2.439 34.696 1.00 20.42 O ATOM 1679 CB THR A 206 11.491 -0.338 33.774 1.00 20.36 C ATOM 1680 OG1 THR A 206 11.590 -1.292 32.697 1.00 19.22 O ATOM 1681 CG2 THR A 206 11.265 -1.120 35.067 1.00 22.12 C ATOM 0 H THR A 206 11.272 1.715 32.118 1.00 18.35 H new ATOM 0 HA THR A 206 9.502 0.146 33.510 1.00 19.75 H new ATOM 0 HB THR A 206 12.302 0.187 33.858 1.00 20.36 H new ATOM 0 HG1 THR A 206 11.835 -0.899 31.996 1.00 19.22 H new ATOM 0 HG21 THR A 206 12.008 -1.726 35.213 1.00 22.12 H new ATOM 0 HG22 THR A 206 11.201 -0.502 35.812 1.00 22.12 H new ATOM 0 HG23 THR A 206 10.442 -1.629 34.998 1.00 22.12 H new ATOM 1682 N HIS A 207 9.195 1.985 35.183 1.00 20.26 N ATOM 1683 CA HIS A 207 9.026 3.219 35.930 1.00 21.00 C ATOM 1684 C HIS A 207 8.328 3.005 37.263 1.00 20.49 C ATOM 1685 O HIS A 207 7.630 2.005 37.462 1.00 21.43 O ATOM 1686 CB HIS A 207 8.210 4.181 35.071 1.00 19.83 C ATOM 1687 CG HIS A 207 7.016 3.541 34.434 1.00 22.44 C ATOM 1688 ND1 HIS A 207 6.848 3.001 33.206 1.00 24.74 N flip ATOM 1689 CD2 HIS A 207 5.810 3.397 35.080 1.00 19.05 C flip ATOM 1690 CE1 HIS A 207 5.552 2.544 33.134 1.00 20.19 C flip ATOM 1691 NE2 HIS A 207 4.948 2.801 34.277 1.00 22.17 N flip ATOM 0 H HIS A 207 8.531 1.439 35.215 1.00 20.26 H new ATOM 0 HA HIS A 207 9.904 3.579 36.130 1.00 21.00 H new ATOM 0 HB2 HIS A 207 7.916 4.925 35.620 1.00 19.83 H new ATOM 0 HB3 HIS A 207 8.780 4.548 34.378 1.00 19.83 H new ATOM 0 HD1 HIS A 207 7.441 2.952 32.585 1.00 24.74 H new ATOM 0 HD2 HIS A 207 5.630 3.676 35.949 1.00 19.05 H new ATOM 0 HE1 HIS A 207 5.166 2.123 32.400 1.00 20.19 H new ATOM 1692 N LEU A 208 8.481 3.970 38.155 1.00 21.60 N ATOM 1693 CA LEU A 208 7.647 4.058 39.354 1.00 21.69 C ATOM 1694 C LEU A 208 6.736 5.279 39.179 1.00 22.59 C ATOM 1695 O LEU A 208 7.227 6.371 38.906 1.00 21.88 O ATOM 1696 CB LEU A 208 8.513 4.240 40.608 1.00 21.88 C ATOM 1697 CG LEU A 208 9.296 3.009 41.065 1.00 21.93 C ATOM 1698 CD1 LEU A 208 10.455 3.395 42.010 1.00 21.21 C ATOM 1699 CD2 LEU A 208 8.311 2.046 41.729 1.00 22.81 C ATOM 0 H LEU A 208 9.069 4.594 38.088 1.00 21.60 H new ATOM 0 HA LEU A 208 7.132 3.243 39.465 1.00 21.69 H new ATOM 0 HB2 LEU A 208 9.143 4.959 40.443 1.00 21.88 H new ATOM 0 HB3 LEU A 208 7.940 4.526 41.337 1.00 21.88 H new ATOM 0 HG LEU A 208 9.710 2.575 40.303 1.00 21.93 H new ATOM 0 HD11 LEU A 208 10.931 2.595 42.282 1.00 21.21 H new ATOM 0 HD12 LEU A 208 11.064 3.992 41.548 1.00 21.21 H new ATOM 0 HD13 LEU A 208 10.099 3.841 42.794 1.00 21.21 H new ATOM 0 HD21 LEU A 208 8.784 1.254 42.029 1.00 22.81 H new ATOM 0 HD22 LEU A 208 7.896 2.481 42.490 1.00 22.81 H new ATOM 0 HD23 LEU A 208 7.627 1.791 41.090 1.00 22.81 H new ATOM 1700 N TRP A 209 5.431 5.099 39.338 1.00 22.75 N ATOM 1701 CA TRP A 209 4.527 6.244 39.390 1.00 24.57 C ATOM 1702 C TRP A 209 4.913 7.089 40.576 1.00 25.33 C ATOM 1703 O TRP A 209 5.250 6.574 41.645 1.00 25.01 O ATOM 1704 CB TRP A 209 3.076 5.798 39.479 1.00 26.08 C ATOM 1705 CG TRP A 209 2.683 5.235 38.181 1.00 29.58 C ATOM 1706 CD1 TRP A 209 2.689 3.928 37.820 1.00 32.94 C ATOM 1707 CD2 TRP A 209 2.269 5.976 37.028 1.00 32.17 C ATOM 1708 NE1 TRP A 209 2.296 3.798 36.500 1.00 32.94 N ATOM 1709 CE2 TRP A 209 2.031 5.041 35.991 1.00 33.27 C ATOM 1710 CE3 TRP A 209 2.055 7.342 36.779 1.00 34.37 C ATOM 1711 CZ2 TRP A 209 1.596 5.423 34.705 1.00 31.52 C ATOM 1712 CZ3 TRP A 209 1.616 7.733 35.505 1.00 33.14 C ATOM 1713 CH2 TRP A 209 1.402 6.771 34.478 1.00 32.69 C ATOM 0 H TRP A 209 5.050 4.332 39.417 1.00 22.75 H new ATOM 0 HA TRP A 209 4.606 6.764 38.575 1.00 24.57 H new ATOM 0 HB2 TRP A 209 2.969 5.136 40.180 1.00 26.08 H new ATOM 0 HB3 TRP A 209 2.506 6.549 39.708 1.00 26.08 H new ATOM 0 HD1 TRP A 209 2.923 3.222 38.378 1.00 32.94 H new ATOM 0 HE1 TRP A 209 2.229 3.057 36.069 1.00 32.94 H new ATOM 0 HE3 TRP A 209 2.201 7.974 37.445 1.00 34.37 H new ATOM 0 HZ2 TRP A 209 1.446 4.793 34.038 1.00 31.52 H new ATOM 0 HZ3 TRP A 209 1.463 8.633 35.329 1.00 33.14 H new ATOM 0 HH2 TRP A 209 1.126 7.056 33.637 1.00 32.69 H new ATOM 1714 N SER A 210 4.871 8.395 40.392 1.00 26.20 N ATOM 1715 CA SER A 210 5.326 9.306 41.426 1.00 27.19 C ATOM 1716 C SER A 210 4.485 9.229 42.704 1.00 27.68 C ATOM 1717 O SER A 210 4.965 9.562 43.788 1.00 28.80 O ATOM 1718 CB SER A 210 5.306 10.712 40.865 1.00 28.00 C ATOM 1719 OG SER A 210 3.977 11.156 40.679 1.00 29.83 O ATOM 0 H SER A 210 4.583 8.776 39.677 1.00 26.20 H new ATOM 0 HA SER A 210 6.226 9.048 41.682 1.00 27.19 H new ATOM 0 HB2 SER A 210 5.771 11.313 41.468 1.00 28.00 H new ATOM 0 HB3 SER A 210 5.781 10.735 40.020 1.00 28.00 H new ATOM 0 HG SER A 210 3.888 11.455 39.899 1.00 29.83 H new ATOM 1720 N ASN A 211 3.237 8.805 42.583 1.00 27.56 N ATOM 1721 CA ASN A 211 2.393 8.602 43.751 1.00 28.79 C ATOM 1722 C ASN A 211 2.528 7.210 44.354 1.00 28.82 C ATOM 1723 O ASN A 211 1.689 6.787 45.179 1.00 30.03 O ATOM 1724 CB ASN A 211 0.937 8.918 43.441 1.00 29.68 C ATOM 1725 CG ASN A 211 0.342 7.976 42.444 1.00 32.49 C ATOM 1726 OD1 ASN A 211 1.018 7.520 41.509 1.00 35.51 O ATOM 1727 ND2 ASN A 211 -0.946 7.674 42.619 1.00 39.03 N ATOM 0 H ASN A 211 2.858 8.628 41.832 1.00 27.56 H new ATOM 0 HA ASN A 211 2.710 9.226 44.423 1.00 28.79 H new ATOM 0 HB2 ASN A 211 0.421 8.883 44.261 1.00 29.68 H new ATOM 0 HB3 ASN A 211 0.872 9.825 43.103 1.00 29.68 H new ATOM 0 HD21 ASN A 211 -1.341 7.142 42.071 1.00 39.03 H new ATOM 0 HD22 ASN A 211 -1.381 8.011 43.280 1.00 39.03 H new ATOM 1728 N HIS A 212 3.590 6.496 43.972 1.00 27.40 N ATOM 1729 CA HIS A 212 3.906 5.209 44.625 1.00 26.08 C ATOM 1730 C HIS A 212 5.149 5.319 45.516 1.00 25.42 C ATOM 1731 O HIS A 212 5.670 4.299 45.987 1.00 24.88 O ATOM 1732 CB HIS A 212 4.088 4.058 43.611 1.00 26.43 C ATOM 1733 CG HIS A 212 2.850 3.684 42.845 1.00 26.49 C ATOM 1734 ND1 HIS A 212 2.689 2.909 41.748 1.00 29.92 N flip ATOM 1735 CD2 HIS A 212 1.584 4.078 43.217 1.00 27.98 C flip ATOM 1736 CE1 HIS A 212 1.344 2.882 41.459 1.00 28.50 C flip ATOM 1737 NE2 HIS A 212 0.700 3.605 42.356 1.00 29.45 N flip ATOM 0 H HIS A 212 4.135 6.729 43.349 1.00 27.40 H new ATOM 0 HA HIS A 212 3.139 4.997 45.180 1.00 26.08 H new ATOM 0 HB2 HIS A 212 4.780 4.308 42.979 1.00 26.43 H new ATOM 0 HB3 HIS A 212 4.407 3.275 44.085 1.00 26.43 H new ATOM 0 HD2 HIS A 212 1.382 4.598 43.961 1.00 27.98 H new ATOM 0 HE1 HIS A 212 0.953 2.428 40.748 1.00 28.50 H new ATOM 0 HE2 HIS A 212 -0.148 3.744 42.377 1.00 29.45 H new ATOM 1738 N MET A 213 5.634 6.536 45.762 1.00 23.65 N ATOM 1739 CA MET A 213 6.894 6.711 46.449 1.00 22.88 C ATOM 1740 C MET A 213 6.838 6.170 47.866 1.00 21.98 C ATOM 1741 O MET A 213 7.698 5.408 48.233 1.00 22.23 O ATOM 1742 CB MET A 213 7.355 8.173 46.500 1.00 23.64 C ATOM 1743 CG MET A 213 7.877 8.716 45.192 1.00 26.19 C ATOM 1744 SD MET A 213 9.381 7.832 44.684 1.00 28.10 S ATOM 1745 CE MET A 213 8.676 6.729 43.475 1.00 25.93 C ATOM 0 H MET A 213 5.243 7.268 45.536 1.00 23.65 H new ATOM 0 HA MET A 213 7.538 6.207 45.928 1.00 22.88 H new ATOM 0 HB2 MET A 213 6.611 8.724 46.791 1.00 23.64 H new ATOM 0 HB3 MET A 213 8.050 8.257 47.171 1.00 23.64 H new ATOM 0 HG2 MET A 213 7.197 8.628 44.506 1.00 26.19 H new ATOM 0 HG3 MET A 213 8.068 9.663 45.283 1.00 26.19 H new ATOM 0 HE1 MET A 213 9.018 5.832 43.617 1.00 25.93 H new ATOM 0 HE2 MET A 213 7.710 6.725 43.565 1.00 25.93 H new ATOM 0 HE3 MET A 213 8.916 7.029 42.584 1.00 25.93 H new ATOM 1746 N ASP A 214 5.830 6.547 48.656 1.00 22.12 N ATOM 1747 CA ASP A 214 5.783 6.115 50.073 1.00 22.03 C ATOM 1748 C ASP A 214 5.685 4.593 50.181 1.00 21.75 C ATOM 1749 O ASP A 214 6.224 3.960 51.080 1.00 21.17 O ATOM 1750 CB ASP A 214 4.546 6.709 50.751 1.00 23.37 C ATOM 1751 CG ASP A 214 4.638 8.214 50.917 1.00 26.22 C ATOM 1752 OD1 ASP A 214 5.764 8.738 51.049 1.00 28.50 O ATOM 1753 OD2 ASP A 214 3.565 8.856 50.887 1.00 31.57 O ATOM 0 H ASP A 214 5.173 7.042 48.406 1.00 22.12 H new ATOM 0 HA ASP A 214 6.597 6.421 50.502 1.00 22.03 H new ATOM 0 HB2 ASP A 214 3.759 6.492 50.227 1.00 23.37 H new ATOM 0 HB3 ASP A 214 4.430 6.297 51.622 1.00 23.37 H new ATOM 1754 N GLN A 215 4.901 4.022 49.282 1.00 20.70 N ATOM 1755 CA GLN A 215 4.747 2.594 49.214 1.00 21.35 C ATOM 1756 C GLN A 215 6.088 1.953 48.882 1.00 20.46 C ATOM 1757 O GLN A 215 6.410 0.878 49.395 1.00 20.23 O ATOM 1758 CB GLN A 215 3.802 2.253 48.057 1.00 21.84 C ATOM 1759 CG GLN A 215 2.301 2.550 48.297 1.00 24.59 C ATOM 1760 CD GLN A 215 1.936 4.034 48.367 1.00 27.82 C ATOM 1761 OE1 GLN A 215 2.734 4.887 47.790 1.00 34.16 O flip ATOM 1762 NE2 GLN A 215 0.910 4.381 48.944 1.00 25.25 N flip ATOM 0 H GLN A 215 4.445 4.457 48.696 1.00 20.70 H new ATOM 0 HA GLN A 215 4.407 2.273 50.064 1.00 21.35 H new ATOM 0 HB2 GLN A 215 4.089 2.745 47.272 1.00 21.84 H new ATOM 0 HB3 GLN A 215 3.898 1.310 47.851 1.00 21.84 H new ATOM 0 HG2 GLN A 215 1.786 2.138 47.586 1.00 24.59 H new ATOM 0 HG3 GLN A 215 2.030 2.125 49.126 1.00 24.59 H new ATOM 0 HE21 GLN A 215 0.405 3.792 49.315 1.00 25.25 H new ATOM 0 HE22 GLN A 215 0.696 5.213 48.978 1.00 25.25 H new ATOM 1763 N THR A 216 6.800 2.546 47.927 1.00 20.01 N ATOM 1764 CA THR A 216 8.051 1.956 47.473 1.00 20.23 C ATOM 1765 C THR A 216 9.026 1.965 48.649 1.00 20.65 C ATOM 1766 O THR A 216 9.727 0.994 48.914 1.00 20.57 O ATOM 1767 CB THR A 216 8.602 2.707 46.236 1.00 20.15 C ATOM 1768 OG1 THR A 216 7.694 2.490 45.143 1.00 20.01 O ATOM 1769 CG2 THR A 216 10.013 2.193 45.864 1.00 18.05 C ATOM 0 H THR A 216 6.579 3.279 47.535 1.00 20.01 H new ATOM 0 HA THR A 216 7.913 1.040 47.184 1.00 20.23 H new ATOM 0 HB THR A 216 8.676 3.654 46.434 1.00 20.15 H new ATOM 0 HG1 THR A 216 7.018 2.980 45.238 1.00 20.01 H new ATOM 0 HG21 THR A 216 10.339 2.675 45.088 1.00 18.05 H new ATOM 0 HG22 THR A 216 10.616 2.335 46.610 1.00 18.05 H new ATOM 0 HG23 THR A 216 9.969 1.246 45.660 1.00 18.05 H new ATOM 1770 N HIS A 217 9.050 3.067 49.380 1.00 20.88 N ATOM 1771 CA HIS A 217 9.991 3.163 50.484 1.00 20.85 C ATOM 1772 C HIS A 217 9.651 2.218 51.606 1.00 21.00 C ATOM 1773 O HIS A 217 10.545 1.603 52.166 1.00 21.38 O ATOM 1774 CB HIS A 217 10.074 4.597 50.983 1.00 21.47 C ATOM 1775 CG HIS A 217 10.654 5.525 49.975 1.00 19.05 C ATOM 1776 ND1 HIS A 217 11.844 5.265 49.329 1.00 20.71 N ATOM 1777 CD2 HIS A 217 10.252 6.746 49.556 1.00 15.18 C ATOM 1778 CE1 HIS A 217 12.108 6.253 48.491 1.00 17.68 C ATOM 1779 NE2 HIS A 217 11.166 7.171 48.617 1.00 21.31 N ATOM 0 H HIS A 217 8.546 3.753 49.260 1.00 20.88 H new ATOM 0 HA HIS A 217 10.862 2.898 50.150 1.00 20.85 H new ATOM 0 HB2 HIS A 217 9.186 4.903 51.225 1.00 21.47 H new ATOM 0 HB3 HIS A 217 10.613 4.624 51.789 1.00 21.47 H new ATOM 0 HD2 HIS A 217 9.501 7.211 49.847 1.00 15.18 H new ATOM 0 HE1 HIS A 217 12.834 6.295 47.911 1.00 17.68 H new ATOM 0 HE2 HIS A 217 11.129 7.913 48.183 1.00 21.31 H new ATOM 1780 N LEU A 218 8.369 2.058 51.905 1.00 20.60 N ATOM 1781 CA LEU A 218 7.959 1.080 52.900 1.00 21.28 C ATOM 1782 C LEU A 218 8.510 -0.279 52.496 1.00 21.22 C ATOM 1783 O LEU A 218 9.166 -0.980 53.284 1.00 21.06 O ATOM 1784 CB LEU A 218 6.426 1.032 52.991 1.00 22.05 C ATOM 1785 CG LEU A 218 5.798 0.028 53.969 1.00 23.15 C ATOM 1786 CD1 LEU A 218 6.382 0.218 55.393 1.00 25.11 C ATOM 1787 CD2 LEU A 218 4.281 0.199 53.984 1.00 21.72 C ATOM 0 H LEU A 218 7.726 2.502 51.546 1.00 20.60 H new ATOM 0 HA LEU A 218 8.305 1.327 53.772 1.00 21.28 H new ATOM 0 HB2 LEU A 218 6.114 1.918 53.232 1.00 22.05 H new ATOM 0 HB3 LEU A 218 6.081 0.841 52.105 1.00 22.05 H new ATOM 0 HG LEU A 218 6.009 -0.872 53.674 1.00 23.15 H new ATOM 0 HD11 LEU A 218 5.976 -0.423 55.998 1.00 25.11 H new ATOM 0 HD12 LEU A 218 7.342 0.078 55.371 1.00 25.11 H new ATOM 0 HD13 LEU A 218 6.194 1.118 55.702 1.00 25.11 H new ATOM 0 HD21 LEU A 218 3.890 -0.437 54.603 1.00 21.72 H new ATOM 0 HD22 LEU A 218 4.060 1.101 54.265 1.00 21.72 H new ATOM 0 HD23 LEU A 218 3.929 0.042 53.094 1.00 21.72 H new ATOM 1788 N GLN A 219 8.237 -0.654 51.246 1.00 20.68 N ATOM 1789 CA GLN A 219 8.611 -1.975 50.789 1.00 20.64 C ATOM 1790 C GLN A 219 10.111 -2.150 50.810 1.00 21.06 C ATOM 1791 O GLN A 219 10.623 -3.188 51.259 1.00 22.32 O ATOM 1792 CB GLN A 219 8.078 -2.232 49.387 1.00 20.09 C ATOM 1793 CG GLN A 219 8.055 -3.711 49.028 1.00 18.63 C ATOM 1794 CD GLN A 219 7.269 -4.073 47.782 1.00 19.39 C ATOM 1795 OE1 GLN A 219 6.583 -3.101 47.210 1.00 20.42 O flip ATOM 1796 NE2 GLN A 219 7.308 -5.236 47.320 1.00 18.29 N flip ATOM 0 H GLN A 219 7.842 -0.162 50.661 1.00 20.68 H new ATOM 0 HA GLN A 219 8.216 -2.620 51.396 1.00 20.64 H new ATOM 0 HB2 GLN A 219 7.180 -1.872 49.316 1.00 20.09 H new ATOM 0 HB3 GLN A 219 8.627 -1.756 48.744 1.00 20.09 H new ATOM 0 HG2 GLN A 219 8.969 -4.013 48.913 1.00 18.63 H new ATOM 0 HG3 GLN A 219 7.686 -4.203 49.778 1.00 18.63 H new ATOM 0 HE21 GLN A 219 7.766 -5.843 47.721 1.00 18.29 H new ATOM 0 HE22 GLN A 219 6.876 -5.428 46.601 1.00 18.29 H new ATOM 1797 N LEU A 220 10.833 -1.122 50.357 1.00 21.21 N ATOM 1798 CA LEU A 220 12.301 -1.182 50.343 1.00 21.22 C ATOM 1799 C LEU A 220 12.893 -1.297 51.774 1.00 22.41 C ATOM 1800 O LEU A 220 14.037 -1.771 51.956 1.00 22.26 O ATOM 1801 CB LEU A 220 12.880 0.046 49.637 1.00 21.28 C ATOM 1802 CG LEU A 220 12.913 0.095 48.108 1.00 19.75 C ATOM 1803 CD1 LEU A 220 13.323 1.485 47.707 1.00 18.03 C ATOM 1804 CD2 LEU A 220 13.935 -0.915 47.614 1.00 18.12 C ATOM 0 H LEU A 220 10.499 -0.389 50.057 1.00 21.21 H new ATOM 0 HA LEU A 220 12.550 -1.982 49.854 1.00 21.22 H new ATOM 0 HB2 LEU A 220 12.378 0.819 49.941 1.00 21.28 H new ATOM 0 HB3 LEU A 220 13.791 0.158 49.950 1.00 21.28 H new ATOM 0 HG LEU A 220 12.047 -0.118 47.726 1.00 19.75 H new ATOM 0 HD11 LEU A 220 13.353 1.547 46.739 1.00 18.03 H new ATOM 0 HD12 LEU A 220 12.680 2.124 48.052 1.00 18.03 H new ATOM 0 HD13 LEU A 220 14.201 1.681 48.071 1.00 18.03 H new ATOM 0 HD21 LEU A 220 13.967 -0.895 46.645 1.00 18.12 H new ATOM 0 HD22 LEU A 220 14.809 -0.692 47.971 1.00 18.12 H new ATOM 0 HD23 LEU A 220 13.682 -1.803 47.911 1.00 18.12 H new ATOM 1805 N SER A 221 12.124 -0.878 52.778 1.00 22.11 N ATOM 1806 CA SER A 221 12.574 -0.965 54.181 1.00 22.31 C ATOM 1807 C SER A 221 12.462 -2.368 54.769 1.00 23.33 C ATOM 1808 O SER A 221 12.898 -2.609 55.919 1.00 23.71 O ATOM 1809 CB SER A 221 11.833 0.046 55.057 1.00 22.33 C ATOM 1810 OG SER A 221 10.479 -0.324 55.286 1.00 23.40 O ATOM 0 H SER A 221 11.340 -0.540 52.675 1.00 22.11 H new ATOM 0 HA SER A 221 13.519 -0.746 54.173 1.00 22.31 H new ATOM 0 HB2 SER A 221 12.291 0.130 55.908 1.00 22.33 H new ATOM 0 HB3 SER A 221 11.860 0.918 54.633 1.00 22.33 H new ATOM 0 HG SER A 221 10.034 -0.210 54.582 1.00 23.40 H new ATOM 1811 N ARG A 222 11.931 -3.302 53.981 1.00 22.04 N ATOM 1812 CA ARG A 222 11.607 -4.649 54.418 1.00 22.59 C ATOM 1813 C ARG A 222 12.545 -5.695 53.834 1.00 23.16 C ATOM 1814 O ARG A 222 12.978 -5.582 52.679 1.00 23.14 O ATOM 1815 CB ARG A 222 10.167 -4.955 54.008 1.00 21.95 C ATOM 1816 CG ARG A 222 9.235 -4.424 55.081 1.00 22.32 C ATOM 1817 CD ARG A 222 8.145 -3.510 54.673 1.00 33.09 C ATOM 1818 NE ARG A 222 7.059 -4.141 53.976 1.00 31.39 N ATOM 1819 CZ ARG A 222 5.739 -4.032 54.216 1.00 27.98 C ATOM 1820 NH1 ARG A 222 5.162 -3.338 55.207 1.00 30.14 N ATOM 1821 NH2 ARG A 222 4.959 -4.645 53.367 1.00 21.81 N ATOM 0 H ARG A 222 11.746 -3.160 53.153 1.00 22.04 H new ATOM 0 HA ARG A 222 11.711 -4.689 55.382 1.00 22.59 H new ATOM 0 HB2 ARG A 222 9.966 -4.543 53.153 1.00 21.95 H new ATOM 0 HB3 ARG A 222 10.044 -5.911 53.898 1.00 21.95 H new ATOM 0 HG2 ARG A 222 8.832 -5.186 55.526 1.00 22.32 H new ATOM 0 HG3 ARG A 222 9.776 -3.963 55.741 1.00 22.32 H new ATOM 0 HD2 ARG A 222 7.794 -3.072 55.464 1.00 33.09 H new ATOM 0 HD3 ARG A 222 8.517 -2.816 54.106 1.00 33.09 H new ATOM 0 HE ARG A 222 7.280 -4.654 53.322 1.00 31.39 H new ATOM 0 HH11 ARG A 222 5.648 -2.904 55.768 1.00 30.14 H new ATOM 0 HH12 ARG A 222 4.305 -3.326 55.282 1.00 30.14 H new ATOM 0 HH21 ARG A 222 5.299 -5.081 52.708 1.00 21.81 H new ATOM 0 HH22 ARG A 222 4.105 -4.613 53.467 1.00 21.81 H new ATOM 1822 N GLU A 223 12.861 -6.711 54.627 1.00 23.16 N ATOM 1823 CA GLU A 223 13.768 -7.763 54.174 1.00 24.06 C ATOM 1824 C GLU A 223 13.000 -8.863 53.471 1.00 22.96 C ATOM 1825 O GLU A 223 12.039 -9.407 54.010 1.00 22.47 O ATOM 1826 CB GLU A 223 14.566 -8.347 55.338 1.00 24.53 C ATOM 1827 CG GLU A 223 15.721 -7.418 55.749 1.00 32.32 C ATOM 1828 CD GLU A 223 16.783 -7.297 54.644 1.00 38.33 C ATOM 1829 OE1 GLU A 223 17.158 -8.333 54.019 1.00 39.53 O ATOM 1830 OE2 GLU A 223 17.224 -6.148 54.399 1.00 45.00 O ATOM 0 H GLU A 223 12.564 -6.812 55.428 1.00 23.16 H new ATOM 0 HA GLU A 223 14.391 -7.363 53.548 1.00 24.06 H new ATOM 0 HB2 GLU A 223 13.978 -8.490 56.096 1.00 24.53 H new ATOM 0 HB3 GLU A 223 14.920 -9.214 55.087 1.00 24.53 H new ATOM 0 HG2 GLU A 223 15.369 -6.538 55.956 1.00 32.32 H new ATOM 0 HG3 GLU A 223 16.135 -7.756 56.559 1.00 32.32 H new ATOM 1831 N PRO A 224 13.432 -9.204 52.260 1.00 23.98 N ATOM 1832 CA PRO A 224 12.740 -10.292 51.546 1.00 24.11 C ATOM 1833 C PRO A 224 12.817 -11.608 52.295 1.00 24.40 C ATOM 1834 O PRO A 224 13.787 -11.890 53.023 1.00 24.26 O ATOM 1835 CB PRO A 224 13.447 -10.363 50.176 1.00 24.20 C ATOM 1836 CG PRO A 224 14.566 -9.442 50.228 1.00 25.31 C ATOM 1837 CD PRO A 224 14.518 -8.599 51.483 1.00 24.46 C ATOM 0 HA PRO A 224 11.789 -10.121 51.458 1.00 24.11 H new ATOM 0 HB2 PRO A 224 13.753 -11.265 49.994 1.00 24.20 H new ATOM 0 HB3 PRO A 224 12.837 -10.121 49.462 1.00 24.20 H new ATOM 0 HG2 PRO A 224 15.399 -9.938 50.200 1.00 25.31 H new ATOM 0 HG3 PRO A 224 14.552 -8.867 49.447 1.00 25.31 H new ATOM 0 HD2 PRO A 224 15.360 -8.626 51.964 1.00 24.46 H new ATOM 0 HD3 PRO A 224 14.337 -7.668 51.281 1.00 24.46 H new ATOM 1838 N ARG A 225 11.761 -12.375 52.183 1.00 23.65 N ATOM 1839 CA ARG A 225 11.718 -13.670 52.817 1.00 25.06 C ATOM 1840 C ARG A 225 12.071 -14.761 51.822 1.00 24.84 C ATOM 1841 O ARG A 225 12.138 -14.504 50.613 1.00 23.37 O ATOM 1842 CB ARG A 225 10.353 -13.877 53.465 1.00 25.60 C ATOM 1843 CG ARG A 225 10.383 -13.260 54.883 1.00 30.00 C ATOM 1844 CD ARG A 225 9.261 -12.357 55.084 1.00 31.25 C ATOM 1845 NE ARG A 225 9.408 -11.646 56.357 1.00 34.81 N ATOM 1846 CZ ARG A 225 8.382 -11.303 57.138 1.00 36.77 C ATOM 1847 NH1 ARG A 225 8.600 -10.653 58.281 1.00 36.03 N ATOM 1848 NH2 ARG A 225 7.128 -11.610 56.773 1.00 35.65 N ATOM 0 H ARG A 225 11.053 -12.165 51.742 1.00 23.65 H new ATOM 0 HA ARG A 225 12.383 -13.716 53.521 1.00 25.06 H new ATOM 0 HB2 ARG A 225 9.660 -13.459 52.931 1.00 25.60 H new ATOM 0 HB3 ARG A 225 10.143 -14.823 53.513 1.00 25.60 H new ATOM 0 HG2 ARG A 225 10.357 -13.967 55.547 1.00 30.00 H new ATOM 0 HG3 ARG A 225 11.216 -12.780 55.013 1.00 30.00 H new ATOM 0 HD2 ARG A 225 9.214 -11.721 54.354 1.00 31.25 H new ATOM 0 HD3 ARG A 225 8.430 -12.857 55.079 1.00 31.25 H new ATOM 0 HE ARG A 225 10.201 -11.438 56.616 1.00 34.81 H new ATOM 0 HH11 ARG A 225 9.403 -10.454 58.516 1.00 36.03 H new ATOM 0 HH12 ARG A 225 7.938 -10.433 58.783 1.00 36.03 H new ATOM 0 HH21 ARG A 225 6.985 -12.028 56.035 1.00 35.65 H new ATOM 0 HH22 ARG A 225 6.467 -11.389 57.277 1.00 35.65 H new ATOM 1849 N PRO A 226 12.331 -15.976 52.320 1.00 25.33 N ATOM 1850 CA PRO A 226 12.601 -17.067 51.388 1.00 24.78 C ATOM 1851 C PRO A 226 11.485 -17.155 50.357 1.00 23.19 C ATOM 1852 O PRO A 226 10.324 -16.888 50.656 1.00 22.71 O ATOM 1853 CB PRO A 226 12.515 -18.291 52.294 1.00 25.07 C ATOM 1854 CG PRO A 226 13.115 -17.756 53.583 1.00 26.26 C ATOM 1855 CD PRO A 226 12.367 -16.459 53.717 1.00 26.06 C ATOM 0 HA PRO A 226 13.440 -16.970 50.910 1.00 24.78 H new ATOM 0 HB2 PRO A 226 11.601 -18.593 52.414 1.00 25.07 H new ATOM 0 HB3 PRO A 226 13.017 -19.042 51.942 1.00 25.07 H new ATOM 0 HG2 PRO A 226 12.962 -18.349 54.335 1.00 26.26 H new ATOM 0 HG3 PRO A 226 14.074 -17.624 53.516 1.00 26.26 H new ATOM 0 HD2 PRO A 226 11.476 -16.590 54.079 1.00 26.06 H new ATOM 0 HD3 PRO A 226 12.823 -15.836 54.304 1.00 26.06 H new ATOM 1856 N LEU A 227 11.828 -17.566 49.151 1.00 22.16 N ATOM 1857 CA LEU A 227 10.799 -17.708 48.147 1.00 21.01 C ATOM 1858 C LEU A 227 9.792 -18.805 48.500 1.00 19.82 C ATOM 1859 O LEU A 227 10.153 -19.864 48.991 1.00 19.73 O ATOM 1860 CB LEU A 227 11.408 -17.998 46.772 1.00 20.34 C ATOM 1861 CG LEU A 227 12.179 -16.853 46.095 1.00 23.30 C ATOM 1862 CD1 LEU A 227 12.898 -17.372 44.839 1.00 28.25 C ATOM 1863 CD2 LEU A 227 11.278 -15.685 45.798 1.00 25.13 C ATOM 0 H LEU A 227 12.626 -17.762 48.899 1.00 22.16 H new ATOM 0 HA LEU A 227 10.326 -16.862 48.118 1.00 21.01 H new ATOM 0 HB2 LEU A 227 12.009 -18.754 46.862 1.00 20.34 H new ATOM 0 HB3 LEU A 227 10.693 -18.273 46.177 1.00 20.34 H new ATOM 0 HG LEU A 227 12.855 -16.526 46.709 1.00 23.30 H new ATOM 0 HD11 LEU A 227 13.381 -16.644 44.418 1.00 28.25 H new ATOM 0 HD12 LEU A 227 13.521 -18.072 45.089 1.00 28.25 H new ATOM 0 HD13 LEU A 227 12.245 -17.728 44.216 1.00 28.25 H new ATOM 0 HD21 LEU A 227 11.791 -14.980 45.372 1.00 25.13 H new ATOM 0 HD22 LEU A 227 10.565 -15.969 45.205 1.00 25.13 H new ATOM 0 HD23 LEU A 227 10.896 -15.352 46.625 1.00 25.13 H new ATOM 1864 N PRO A 228 8.523 -18.591 48.155 1.00 19.97 N ATOM 1865 CA PRO A 228 7.572 -19.660 48.387 1.00 19.66 C ATOM 1866 C PRO A 228 7.784 -20.758 47.355 1.00 19.87 C ATOM 1867 O PRO A 228 8.687 -20.640 46.499 1.00 19.20 O ATOM 1868 CB PRO A 228 6.235 -18.951 48.204 1.00 20.17 C ATOM 1869 CG PRO A 228 6.535 -17.918 47.159 1.00 19.31 C ATOM 1870 CD PRO A 228 7.912 -17.430 47.485 1.00 19.45 C ATOM 0 HA PRO A 228 7.646 -20.094 49.251 1.00 19.66 H new ATOM 0 HB2 PRO A 228 5.541 -19.564 47.913 1.00 20.17 H new ATOM 0 HB3 PRO A 228 5.928 -18.546 49.030 1.00 20.17 H new ATOM 0 HG2 PRO A 228 6.499 -18.299 46.268 1.00 19.31 H new ATOM 0 HG3 PRO A 228 5.890 -17.194 47.185 1.00 19.31 H new ATOM 0 HD2 PRO A 228 8.402 -17.177 46.687 1.00 19.45 H new ATOM 0 HD3 PRO A 228 7.890 -16.652 48.063 1.00 19.45 H new ATOM 1871 N LYS A 229 6.992 -21.820 47.448 1.00 20.80 N ATOM 1872 CA LYS A 229 7.060 -22.902 46.487 1.00 22.43 C ATOM 1873 C LYS A 229 5.677 -23.014 45.847 1.00 22.32 C ATOM 1874 O LYS A 229 4.665 -22.921 46.550 1.00 23.26 O ATOM 1875 CB LYS A 229 7.490 -24.211 47.176 1.00 23.04 C ATOM 1876 CG LYS A 229 7.519 -25.403 46.244 1.00 27.40 C ATOM 1877 CD LYS A 229 8.495 -26.470 46.724 1.00 30.72 C ATOM 1878 CE LYS A 229 8.371 -27.741 45.864 1.00 34.39 C ATOM 1879 NZ LYS A 229 8.929 -27.679 44.456 1.00 35.19 N ATOM 0 H LYS A 229 6.405 -21.930 48.067 1.00 20.80 H new ATOM 0 HA LYS A 229 7.725 -22.728 45.803 1.00 22.43 H new ATOM 0 HB2 LYS A 229 8.371 -24.090 47.562 1.00 23.04 H new ATOM 0 HB3 LYS A 229 6.882 -24.397 47.909 1.00 23.04 H new ATOM 0 HG2 LYS A 229 6.629 -25.784 46.178 1.00 27.40 H new ATOM 0 HG3 LYS A 229 7.770 -25.112 45.353 1.00 27.40 H new ATOM 0 HD2 LYS A 229 9.402 -26.130 46.679 1.00 30.72 H new ATOM 0 HD3 LYS A 229 8.318 -26.683 47.654 1.00 30.72 H new ATOM 0 HE2 LYS A 229 8.815 -28.466 46.332 1.00 34.39 H new ATOM 0 HE3 LYS A 229 7.431 -27.974 45.805 1.00 34.39 H new ATOM 0 HZ1 LYS A 229 9.019 -28.504 44.135 1.00 35.19 H new ATOM 0 HZ2 LYS A 229 8.373 -27.218 43.936 1.00 35.19 H new ATOM 0 HZ3 LYS A 229 9.724 -27.278 44.469 1.00 35.19 H new ATOM 1880 N LEU A 230 5.628 -23.162 44.522 1.00 22.14 N ATOM 1881 CA LEU A 230 4.356 -23.412 43.844 1.00 22.00 C ATOM 1882 C LEU A 230 3.991 -24.892 43.939 1.00 22.54 C ATOM 1883 O LEU A 230 4.788 -25.775 43.569 1.00 22.95 O ATOM 1884 CB LEU A 230 4.389 -22.986 42.372 1.00 21.65 C ATOM 1885 CG LEU A 230 3.055 -23.140 41.587 1.00 22.24 C ATOM 1886 CD1 LEU A 230 1.998 -22.143 42.050 1.00 21.36 C ATOM 1887 CD2 LEU A 230 3.279 -23.050 40.068 1.00 21.91 C ATOM 0 H LEU A 230 6.312 -23.122 44.003 1.00 22.14 H new ATOM 0 HA LEU A 230 3.684 -22.876 44.292 1.00 22.00 H new ATOM 0 HB2 LEU A 230 4.663 -22.057 42.329 1.00 21.65 H new ATOM 0 HB3 LEU A 230 5.072 -23.505 41.919 1.00 21.65 H new ATOM 0 HG LEU A 230 2.716 -24.027 41.783 1.00 22.24 H new ATOM 0 HD11 LEU A 230 1.185 -22.272 41.537 1.00 21.36 H new ATOM 0 HD12 LEU A 230 1.812 -22.283 42.992 1.00 21.36 H new ATOM 0 HD13 LEU A 230 2.324 -21.239 41.916 1.00 21.36 H new ATOM 0 HD21 LEU A 230 2.430 -23.150 39.609 1.00 21.91 H new ATOM 0 HD22 LEU A 230 3.666 -22.188 39.848 1.00 21.91 H new ATOM 0 HD23 LEU A 230 3.883 -23.756 39.787 1.00 21.91 H new ATOM 1888 N ILE A 231 2.803 -25.174 44.454 1.00 21.56 N ATOM 1889 CA ILE A 231 2.267 -26.537 44.415 1.00 21.96 C ATOM 1890 C ILE A 231 1.174 -26.647 43.364 1.00 21.51 C ATOM 1891 O ILE A 231 0.098 -26.070 43.527 1.00 22.17 O ATOM 1892 CB ILE A 231 1.590 -26.876 45.742 1.00 22.52 C ATOM 1893 CG1 ILE A 231 2.549 -26.619 46.905 1.00 24.41 C ATOM 1894 CG2 ILE A 231 1.027 -28.315 45.690 1.00 24.17 C ATOM 1895 CD1 ILE A 231 3.757 -27.450 46.894 1.00 30.77 C ATOM 0 H ILE A 231 2.289 -24.596 44.830 1.00 21.56 H new ATOM 0 HA ILE A 231 3.010 -27.131 44.225 1.00 21.96 H new ATOM 0 HB ILE A 231 0.829 -26.294 45.895 1.00 22.52 H new ATOM 0 HG12 ILE A 231 2.812 -25.686 46.891 1.00 24.41 H new ATOM 0 HG13 ILE A 231 2.076 -26.768 47.738 1.00 24.41 H new ATOM 0 HG21 ILE A 231 0.598 -28.526 46.534 1.00 24.17 H new ATOM 0 HG22 ILE A 231 0.378 -28.383 44.972 1.00 24.17 H new ATOM 0 HG23 ILE A 231 1.751 -28.940 45.531 1.00 24.17 H new ATOM 0 HD11 ILE A 231 4.310 -27.228 47.659 1.00 30.77 H new ATOM 0 HD12 ILE A 231 3.506 -28.386 46.938 1.00 30.77 H new ATOM 0 HD13 ILE A 231 4.255 -27.287 46.078 1.00 30.77 H new ATOM 1896 N ILE A 232 1.395 -27.417 42.322 1.00 20.88 N ATOM 1897 CA ILE A 232 0.287 -27.705 41.408 1.00 21.00 C ATOM 1898 C ILE A 232 -0.283 -29.019 41.905 1.00 21.50 C ATOM 1899 O ILE A 232 0.440 -30.012 41.976 1.00 21.13 O ATOM 1900 CB ILE A 232 0.729 -27.790 39.947 1.00 20.45 C ATOM 1901 CG1 ILE A 232 1.266 -26.404 39.529 1.00 22.70 C ATOM 1902 CG2 ILE A 232 -0.480 -28.227 39.071 1.00 21.51 C ATOM 1903 CD1 ILE A 232 1.870 -26.274 38.101 1.00 22.05 C ATOM 0 H ILE A 232 2.149 -27.778 42.120 1.00 20.88 H new ATOM 0 HA ILE A 232 -0.371 -26.992 41.412 1.00 21.00 H new ATOM 0 HB ILE A 232 1.432 -28.448 39.828 1.00 20.45 H new ATOM 0 HG12 ILE A 232 0.541 -25.765 39.607 1.00 22.70 H new ATOM 0 HG13 ILE A 232 1.947 -26.141 40.168 1.00 22.70 H new ATOM 0 HG21 ILE A 232 -0.204 -28.282 38.143 1.00 21.51 H new ATOM 0 HG22 ILE A 232 -0.797 -29.095 39.366 1.00 21.51 H new ATOM 0 HG23 ILE A 232 -1.194 -27.576 39.157 1.00 21.51 H new ATOM 0 HD11 ILE A 232 2.170 -25.363 37.958 1.00 22.05 H new ATOM 0 HD12 ILE A 232 2.622 -26.880 38.011 1.00 22.05 H new ATOM 0 HD13 ILE A 232 1.194 -26.498 37.442 1.00 22.05 H new ATOM 1904 N LYS A 233 -1.555 -29.014 42.289 1.00 21.73 N ATOM 1905 CA LYS A 233 -2.151 -30.160 42.993 1.00 22.52 C ATOM 1906 C LYS A 233 -2.839 -31.184 42.079 1.00 21.47 C ATOM 1907 O LYS A 233 -3.321 -32.209 42.541 1.00 19.73 O ATOM 1908 CB LYS A 233 -3.126 -29.678 44.062 1.00 23.47 C ATOM 1909 CG LYS A 233 -2.397 -29.049 45.244 1.00 26.48 C ATOM 1910 CD LYS A 233 -3.317 -28.155 46.004 1.00 34.15 C ATOM 1911 CE LYS A 233 -3.947 -28.904 47.169 1.00 37.86 C ATOM 1912 NZ LYS A 233 -5.042 -28.096 47.819 1.00 40.08 N ATOM 0 H LYS A 233 -2.095 -28.359 42.154 1.00 21.73 H new ATOM 0 HA LYS A 233 -1.405 -30.628 43.400 1.00 22.52 H new ATOM 0 HB2 LYS A 233 -3.737 -29.031 43.676 1.00 23.47 H new ATOM 0 HB3 LYS A 233 -3.663 -30.424 44.372 1.00 23.47 H new ATOM 0 HG2 LYS A 233 -2.056 -29.744 45.828 1.00 26.48 H new ATOM 0 HG3 LYS A 233 -1.632 -28.543 44.928 1.00 26.48 H new ATOM 0 HD2 LYS A 233 -2.829 -27.385 46.334 1.00 34.15 H new ATOM 0 HD3 LYS A 233 -4.011 -27.820 45.415 1.00 34.15 H new ATOM 0 HE2 LYS A 233 -4.309 -29.747 46.855 1.00 37.86 H new ATOM 0 HE3 LYS A 233 -3.265 -29.115 47.826 1.00 37.86 H new ATOM 0 HZ1 LYS A 233 -5.410 -28.570 48.476 1.00 40.08 H new ATOM 0 HZ2 LYS A 233 -4.700 -27.345 48.151 1.00 40.08 H new ATOM 0 HZ3 LYS A 233 -5.663 -27.896 47.214 1.00 40.08 H new ATOM 1913 N ARG A 234 -2.824 -30.923 40.782 1.00 21.57 N ATOM 1914 CA ARG A 234 -3.458 -31.800 39.802 1.00 21.44 C ATOM 1915 C ARG A 234 -2.747 -31.524 38.492 1.00 22.07 C ATOM 1916 O ARG A 234 -2.395 -30.388 38.233 1.00 22.88 O ATOM 1917 CB ARG A 234 -4.945 -31.459 39.670 1.00 22.32 C ATOM 1918 CG ARG A 234 -5.712 -32.332 38.641 1.00 20.75 C ATOM 1919 CD ARG A 234 -7.160 -31.900 38.534 1.00 21.54 C ATOM 1920 NE ARG A 234 -7.240 -30.615 37.862 1.00 23.50 N ATOM 1921 CZ ARG A 234 -7.507 -30.450 36.571 1.00 24.70 C ATOM 1922 NH1 ARG A 234 -7.820 -31.495 35.794 1.00 24.45 N ATOM 1923 NH2 ARG A 234 -7.504 -29.220 36.067 1.00 26.28 N ATOM 0 H ARG A 234 -2.445 -30.231 40.440 1.00 21.57 H new ATOM 0 HA ARG A 234 -3.395 -32.733 40.061 1.00 21.44 H new ATOM 0 HB2 ARG A 234 -5.366 -31.556 40.538 1.00 22.32 H new ATOM 0 HB3 ARG A 234 -5.031 -30.527 39.415 1.00 22.32 H new ATOM 0 HG2 ARG A 234 -5.286 -32.264 37.772 1.00 20.75 H new ATOM 0 HG3 ARG A 234 -5.668 -33.264 38.906 1.00 20.75 H new ATOM 0 HD2 ARG A 234 -7.669 -32.564 38.043 1.00 21.54 H new ATOM 0 HD3 ARG A 234 -7.554 -31.837 39.418 1.00 21.54 H new ATOM 0 HE ARG A 234 -7.105 -29.909 38.334 1.00 23.50 H new ATOM 0 HH11 ARG A 234 -7.850 -32.286 36.129 1.00 24.45 H new ATOM 0 HH12 ARG A 234 -7.991 -31.375 34.960 1.00 24.45 H new ATOM 0 HH21 ARG A 234 -7.331 -28.548 36.575 1.00 26.28 H new ATOM 0 HH22 ARG A 234 -7.675 -29.097 35.233 1.00 26.28 H new ATOM 1924 N LYS A 235 -2.505 -32.566 37.695 1.00 22.57 N ATOM 1925 CA LYS A 235 -1.919 -32.402 36.368 1.00 21.22 C ATOM 1926 C LYS A 235 -3.009 -32.599 35.327 1.00 21.19 C ATOM 1927 O LYS A 235 -3.499 -33.721 35.136 1.00 20.61 O ATOM 1928 CB LYS A 235 -0.815 -33.407 36.150 1.00 22.57 C ATOM 1929 CG LYS A 235 -0.106 -33.295 34.812 1.00 22.48 C ATOM 1930 CD LYS A 235 1.226 -34.047 34.968 1.00 26.90 C ATOM 1931 CE LYS A 235 1.917 -34.425 33.665 1.00 28.99 C ATOM 1932 NZ LYS A 235 3.047 -35.434 33.930 1.00 27.42 N ATOM 0 H LYS A 235 -2.675 -33.382 37.908 1.00 22.57 H new ATOM 0 HA LYS A 235 -1.540 -31.512 36.290 1.00 21.22 H new ATOM 0 HB2 LYS A 235 -0.160 -33.307 36.858 1.00 22.57 H new ATOM 0 HB3 LYS A 235 -1.187 -34.299 36.231 1.00 22.57 H new ATOM 0 HG2 LYS A 235 -0.642 -33.683 34.103 1.00 22.48 H new ATOM 0 HG3 LYS A 235 0.046 -32.366 34.577 1.00 22.48 H new ATOM 0 HD2 LYS A 235 1.831 -33.498 35.490 1.00 26.90 H new ATOM 0 HD3 LYS A 235 1.066 -34.856 35.478 1.00 26.90 H new ATOM 0 HE2 LYS A 235 1.272 -34.807 33.049 1.00 28.99 H new ATOM 0 HE3 LYS A 235 2.278 -33.631 33.241 1.00 28.99 H new ATOM 0 HZ1 LYS A 235 3.732 -35.262 33.389 1.00 27.42 H new ATOM 0 HZ2 LYS A 235 3.314 -35.366 34.776 1.00 27.42 H new ATOM 0 HZ3 LYS A 235 2.750 -36.259 33.779 1.00 27.42 H new ATOM 1933 N PRO A 236 -3.426 -31.502 34.692 1.00 21.39 N ATOM 1934 CA PRO A 236 -4.454 -31.514 33.662 1.00 20.94 C ATOM 1935 C PRO A 236 -3.913 -32.276 32.478 1.00 21.38 C ATOM 1936 O PRO A 236 -2.705 -32.482 32.374 1.00 19.51 O ATOM 1937 CB PRO A 236 -4.605 -30.024 33.334 1.00 21.14 C ATOM 1938 CG PRO A 236 -4.142 -29.335 34.586 1.00 22.52 C ATOM 1939 CD PRO A 236 -2.949 -30.130 34.950 1.00 20.53 C ATOM 0 HA PRO A 236 -5.294 -31.927 33.915 1.00 20.94 H new ATOM 0 HB2 PRO A 236 -4.066 -29.771 32.568 1.00 21.14 H new ATOM 0 HB3 PRO A 236 -5.524 -29.797 33.121 1.00 21.14 H new ATOM 0 HG2 PRO A 236 -3.923 -28.403 34.428 1.00 22.52 H new ATOM 0 HG3 PRO A 236 -4.817 -29.354 35.282 1.00 22.52 H new ATOM 0 HD2 PRO A 236 -2.178 -29.903 34.407 1.00 20.53 H new ATOM 0 HD3 PRO A 236 -2.692 -30.000 35.876 1.00 20.53 H new ATOM 1940 N GLU A 237 -4.791 -32.672 31.569 1.00 21.94 N ATOM 1941 CA GLU A 237 -4.365 -33.422 30.386 1.00 22.73 C ATOM 1942 C GLU A 237 -4.072 -32.506 29.178 1.00 21.80 C ATOM 1943 O GLU A 237 -3.738 -32.992 28.114 1.00 22.71 O ATOM 1944 CB GLU A 237 -5.450 -34.449 30.029 1.00 23.58 C ATOM 1945 CG GLU A 237 -5.822 -35.378 31.198 1.00 28.78 C ATOM 1946 CD GLU A 237 -4.892 -36.516 31.270 1.00 38.72 C ATOM 1947 OE1 GLU A 237 -4.497 -36.995 30.177 1.00 43.07 O ATOM 1948 OE2 GLU A 237 -4.532 -36.929 32.408 1.00 45.68 O ATOM 0 H GLU A 237 -5.636 -32.520 31.613 1.00 21.94 H new ATOM 0 HA GLU A 237 -3.533 -33.872 30.599 1.00 22.73 H new ATOM 0 HB2 GLU A 237 -6.245 -33.979 29.733 1.00 23.58 H new ATOM 0 HB3 GLU A 237 -5.143 -34.987 29.282 1.00 23.58 H new ATOM 0 HG2 GLU A 237 -5.800 -34.882 32.031 1.00 28.78 H new ATOM 0 HG3 GLU A 237 -6.729 -35.702 31.085 1.00 28.78 H new ATOM 1949 N SER A 238 -4.232 -31.192 29.326 1.00 20.81 N ATOM 1950 CA SER A 238 -3.713 -30.249 28.326 1.00 19.27 C ATOM 1951 C SER A 238 -3.440 -28.910 29.032 1.00 19.80 C ATOM 1952 O SER A 238 -3.978 -28.656 30.117 1.00 19.42 O ATOM 1953 CB SER A 238 -4.727 -30.000 27.195 1.00 19.22 C ATOM 1954 OG SER A 238 -5.614 -28.959 27.534 1.00 21.51 O ATOM 0 H SER A 238 -4.634 -30.825 29.992 1.00 20.81 H new ATOM 0 HA SER A 238 -2.909 -30.625 27.936 1.00 19.27 H new ATOM 0 HB2 SER A 238 -4.256 -29.775 26.377 1.00 19.22 H new ATOM 0 HB3 SER A 238 -5.228 -30.812 27.020 1.00 19.22 H new ATOM 0 HG SER A 238 -6.334 -29.285 27.817 1.00 21.51 H new ATOM 1955 N ILE A 239 -2.673 -28.051 28.368 1.00 19.80 N ATOM 1956 CA ILE A 239 -2.327 -26.711 28.894 1.00 20.49 C ATOM 1957 C ILE A 239 -3.594 -25.855 29.012 1.00 20.23 C ATOM 1958 O ILE A 239 -3.599 -24.878 29.760 1.00 19.29 O ATOM 1959 CB ILE A 239 -1.256 -26.013 27.986 1.00 21.70 C ATOM 1960 CG1 ILE A 239 -0.668 -24.739 28.609 1.00 21.42 C ATOM 1961 CG2 ILE A 239 -1.830 -25.660 26.641 1.00 21.44 C ATOM 1962 CD1 ILE A 239 0.198 -24.963 29.728 1.00 25.40 C ATOM 0 H ILE A 239 -2.333 -28.220 27.597 1.00 19.80 H new ATOM 0 HA ILE A 239 -1.939 -26.812 29.777 1.00 20.49 H new ATOM 0 HB ILE A 239 -0.542 -26.662 27.891 1.00 21.70 H new ATOM 0 HG12 ILE A 239 -0.175 -24.258 27.926 1.00 21.42 H new ATOM 0 HG13 ILE A 239 -1.398 -24.165 28.890 1.00 21.42 H new ATOM 0 HG21 ILE A 239 -1.148 -25.231 26.101 1.00 21.44 H new ATOM 0 HG22 ILE A 239 -2.134 -26.467 26.197 1.00 21.44 H new ATOM 0 HG23 ILE A 239 -2.579 -25.054 26.757 1.00 21.44 H new ATOM 0 HD11 ILE A 239 0.525 -24.112 30.060 1.00 25.40 H new ATOM 0 HD12 ILE A 239 -0.292 -25.417 30.431 1.00 25.40 H new ATOM 0 HD13 ILE A 239 0.949 -25.511 29.452 1.00 25.40 H new ATOM 1963 N PHE A 240 -4.672 -26.256 28.324 1.00 18.58 N ATOM 1964 CA PHE A 240 -5.942 -25.525 28.367 1.00 19.07 C ATOM 1965 C PHE A 240 -6.927 -26.005 29.400 1.00 19.92 C ATOM 1966 O PHE A 240 -8.035 -25.480 29.480 1.00 19.24 O ATOM 1967 CB PHE A 240 -6.608 -25.565 26.990 1.00 19.44 C ATOM 1968 CG PHE A 240 -5.687 -25.111 25.882 1.00 20.16 C ATOM 1969 CD1 PHE A 240 -5.238 -23.797 25.839 1.00 22.09 C ATOM 1970 CD2 PHE A 240 -5.242 -25.999 24.913 1.00 20.72 C ATOM 1971 CE1 PHE A 240 -4.359 -23.367 24.822 1.00 23.29 C ATOM 1972 CE2 PHE A 240 -4.370 -25.578 23.923 1.00 20.32 C ATOM 1973 CZ PHE A 240 -3.931 -24.233 23.881 1.00 18.89 C ATOM 0 H PHE A 240 -4.685 -26.955 27.823 1.00 18.58 H new ATOM 0 HA PHE A 240 -5.703 -24.622 28.628 1.00 19.07 H new ATOM 0 HB2 PHE A 240 -6.907 -26.469 26.806 1.00 19.44 H new ATOM 0 HB3 PHE A 240 -7.397 -25.001 27.000 1.00 19.44 H new ATOM 0 HD1 PHE A 240 -5.520 -23.194 26.488 1.00 22.09 H new ATOM 0 HD2 PHE A 240 -5.531 -26.883 24.929 1.00 20.72 H new ATOM 0 HE1 PHE A 240 -4.074 -22.482 24.801 1.00 23.29 H new ATOM 0 HE2 PHE A 240 -4.071 -26.182 23.282 1.00 20.32 H new ATOM 0 HZ PHE A 240 -3.353 -23.949 23.210 1.00 18.89 H new ATOM 1974 N ASP A 241 -6.528 -26.982 30.202 1.00 19.65 N ATOM 1975 CA ASP A 241 -7.465 -27.630 31.108 1.00 20.64 C ATOM 1976 C ASP A 241 -7.118 -27.387 32.576 1.00 20.75 C ATOM 1977 O ASP A 241 -7.633 -28.079 33.456 1.00 19.58 O ATOM 1978 CB ASP A 241 -7.569 -29.134 30.776 1.00 21.18 C ATOM 1979 CG ASP A 241 -8.457 -29.399 29.529 1.00 24.61 C ATOM 1980 OD1 ASP A 241 -9.669 -29.225 29.626 1.00 30.68 O ATOM 1981 OD2 ASP A 241 -7.955 -29.753 28.454 1.00 29.05 O ATOM 0 H ASP A 241 -5.723 -27.284 30.238 1.00 19.65 H new ATOM 0 HA ASP A 241 -8.338 -27.228 30.974 1.00 20.64 H new ATOM 0 HB2 ASP A 241 -6.681 -29.492 30.621 1.00 21.18 H new ATOM 0 HB3 ASP A 241 -7.936 -29.607 31.539 1.00 21.18 H new ATOM 1982 N TYR A 242 -6.274 -26.382 32.844 1.00 20.64 N ATOM 1983 CA TYR A 242 -6.050 -25.976 34.235 1.00 21.47 C ATOM 1984 C TYR A 242 -7.303 -25.365 34.858 1.00 23.01 C ATOM 1985 O TYR A 242 -8.184 -24.847 34.140 1.00 22.96 O ATOM 1986 CB TYR A 242 -4.843 -25.036 34.340 1.00 21.34 C ATOM 1987 CG TYR A 242 -3.562 -25.804 34.206 1.00 21.45 C ATOM 1988 CD1 TYR A 242 -3.030 -26.089 32.938 1.00 19.43 C ATOM 1989 CD2 TYR A 242 -2.875 -26.269 35.346 1.00 20.28 C ATOM 1990 CE1 TYR A 242 -1.849 -26.816 32.796 1.00 20.30 C ATOM 1991 CE2 TYR A 242 -1.691 -27.013 35.219 1.00 20.30 C ATOM 1992 CZ TYR A 242 -1.192 -27.293 33.938 1.00 21.71 C ATOM 1993 OH TYR A 242 -0.037 -28.030 33.769 1.00 19.70 O ATOM 0 H TYR A 242 -5.835 -25.936 32.254 1.00 20.64 H new ATOM 0 HA TYR A 242 -5.848 -26.775 34.747 1.00 21.47 H new ATOM 0 HB2 TYR A 242 -4.893 -24.358 33.648 1.00 21.34 H new ATOM 0 HB3 TYR A 242 -4.861 -24.573 35.192 1.00 21.34 H new ATOM 0 HD1 TYR A 242 -3.474 -25.787 32.179 1.00 19.43 H new ATOM 0 HD2 TYR A 242 -3.210 -26.081 36.193 1.00 20.28 H new ATOM 0 HE1 TYR A 242 -1.500 -26.983 31.950 1.00 20.30 H new ATOM 0 HE2 TYR A 242 -1.243 -27.317 35.975 1.00 20.30 H new ATOM 0 HH TYR A 242 0.130 -28.455 34.474 1.00 19.70 H new ATOM 1994 N ARG A 243 -7.407 -25.481 36.186 1.00 22.43 N ATOM 1995 CA ARG A 243 -8.519 -24.915 36.928 1.00 23.45 C ATOM 1996 C ARG A 243 -7.915 -24.063 38.013 1.00 23.66 C ATOM 1997 O ARG A 243 -6.794 -24.342 38.493 1.00 22.90 O ATOM 1998 CB ARG A 243 -9.380 -26.013 37.583 1.00 23.27 C ATOM 1999 CG ARG A 243 -9.994 -27.048 36.615 1.00 25.25 C ATOM 2000 CD ARG A 243 -10.549 -28.274 37.425 1.00 25.18 C ATOM 2001 NE ARG A 243 -11.021 -29.322 36.530 1.00 29.96 N ATOM 2002 CZ ARG A 243 -11.144 -30.595 36.876 1.00 30.18 C ATOM 2003 NH1 ARG A 243 -11.556 -31.481 35.969 1.00 34.29 N ATOM 2004 NH2 ARG A 243 -10.836 -30.986 38.112 1.00 30.35 N ATOM 0 H ARG A 243 -6.831 -25.892 36.675 1.00 22.43 H new ATOM 0 HA ARG A 243 -9.092 -24.410 36.331 1.00 23.45 H new ATOM 0 HB2 ARG A 243 -8.835 -26.485 38.232 1.00 23.27 H new ATOM 0 HB3 ARG A 243 -10.100 -25.587 38.074 1.00 23.27 H new ATOM 0 HG2 ARG A 243 -10.708 -26.639 36.102 1.00 25.25 H new ATOM 0 HG3 ARG A 243 -9.324 -27.346 35.980 1.00 25.25 H new ATOM 0 HD2 ARG A 243 -9.853 -28.626 38.002 1.00 25.18 H new ATOM 0 HD3 ARG A 243 -11.275 -27.984 38.000 1.00 25.18 H new ATOM 0 HE ARG A 243 -11.233 -29.100 35.727 1.00 29.96 H new ATOM 0 HH11 ARG A 243 -11.739 -31.224 35.169 1.00 34.29 H new ATOM 0 HH12 ARG A 243 -11.639 -32.310 36.184 1.00 34.29 H new ATOM 0 HH21 ARG A 243 -10.557 -30.411 38.688 1.00 30.35 H new ATOM 0 HH22 ARG A 243 -10.917 -31.813 38.334 1.00 30.35 H new ATOM 2005 N PHE A 244 -8.650 -23.023 38.403 1.00 23.43 N ATOM 2006 CA PHE A 244 -8.144 -22.117 39.417 1.00 23.82 C ATOM 2007 C PHE A 244 -7.628 -22.887 40.638 1.00 23.81 C ATOM 2008 O PHE A 244 -6.569 -22.564 41.207 1.00 23.48 O ATOM 2009 CB PHE A 244 -9.249 -21.167 39.883 1.00 24.39 C ATOM 2010 CG PHE A 244 -8.795 -20.235 40.933 1.00 25.23 C ATOM 2011 CD1 PHE A 244 -8.121 -19.066 40.585 1.00 26.02 C ATOM 2012 CD2 PHE A 244 -8.988 -20.536 42.278 1.00 25.92 C ATOM 2013 CE1 PHE A 244 -7.655 -18.190 41.587 1.00 25.68 C ATOM 2014 CE2 PHE A 244 -8.527 -19.692 43.268 1.00 30.17 C ATOM 2015 CZ PHE A 244 -7.846 -18.519 42.934 1.00 27.89 C ATOM 0 H PHE A 244 -9.430 -22.831 38.096 1.00 23.43 H new ATOM 0 HA PHE A 244 -7.416 -21.615 39.018 1.00 23.82 H new ATOM 0 HB2 PHE A 244 -9.575 -20.659 39.124 1.00 24.39 H new ATOM 0 HB3 PHE A 244 -9.997 -21.686 40.218 1.00 24.39 H new ATOM 0 HD1 PHE A 244 -7.978 -18.863 39.689 1.00 26.02 H new ATOM 0 HD2 PHE A 244 -9.434 -21.317 42.513 1.00 25.92 H new ATOM 0 HE1 PHE A 244 -7.224 -17.399 41.355 1.00 25.68 H new ATOM 0 HE2 PHE A 244 -8.670 -19.905 44.162 1.00 30.17 H new ATOM 0 HZ PHE A 244 -7.521 -17.960 43.603 1.00 27.89 H new ATOM 2016 N GLU A 245 -8.407 -23.869 41.067 1.00 23.91 N ATOM 2017 CA GLU A 245 -8.072 -24.629 42.279 1.00 24.42 C ATOM 2018 C GLU A 245 -6.869 -25.548 42.114 1.00 23.73 C ATOM 2019 O GLU A 245 -6.420 -26.139 43.077 1.00 23.99 O ATOM 2020 CB GLU A 245 -9.303 -25.400 42.788 1.00 26.24 C ATOM 2021 CG GLU A 245 -9.818 -26.454 41.835 1.00 27.81 C ATOM 2022 CD GLU A 245 -10.895 -25.954 40.851 1.00 33.68 C ATOM 2023 OE1 GLU A 245 -11.668 -26.828 40.386 1.00 35.35 O ATOM 2024 OE2 GLU A 245 -10.981 -24.728 40.520 1.00 30.58 O ATOM 0 H GLU A 245 -9.133 -24.116 40.678 1.00 23.91 H new ATOM 0 HA GLU A 245 -7.808 -23.978 42.948 1.00 24.42 H new ATOM 0 HB2 GLU A 245 -9.080 -25.824 43.631 1.00 26.24 H new ATOM 0 HB3 GLU A 245 -10.015 -24.767 42.969 1.00 26.24 H new ATOM 0 HG2 GLU A 245 -9.071 -26.808 41.327 1.00 27.81 H new ATOM 0 HG3 GLU A 245 -10.184 -27.190 42.351 1.00 27.81 H new ATOM 2025 N ASP A 246 -6.305 -25.665 40.913 1.00 22.65 N ATOM 2026 CA ASP A 246 -5.116 -26.505 40.803 1.00 22.41 C ATOM 2027 C ASP A 246 -3.864 -25.969 41.511 1.00 22.35 C ATOM 2028 O ASP A 246 -2.908 -26.719 41.736 1.00 22.44 O ATOM 2029 CB ASP A 246 -4.759 -26.768 39.355 1.00 21.62 C ATOM 2030 CG ASP A 246 -5.813 -27.582 38.650 1.00 20.93 C ATOM 2031 OD1 ASP A 246 -6.513 -28.345 39.325 1.00 19.26 O ATOM 2032 OD2 ASP A 246 -5.938 -27.444 37.420 1.00 20.59 O ATOM 0 H ASP A 246 -6.576 -25.290 40.188 1.00 22.65 H new ATOM 0 HA ASP A 246 -5.374 -27.321 41.259 1.00 22.41 H new ATOM 0 HB2 ASP A 246 -4.642 -25.923 38.893 1.00 21.62 H new ATOM 0 HB3 ASP A 246 -3.910 -27.234 39.312 1.00 21.62 H new ATOM 2033 N PHE A 247 -3.860 -24.680 41.821 1.00 22.37 N ATOM 2034 CA PHE A 247 -2.615 -24.028 42.250 1.00 23.70 C ATOM 2035 C PHE A 247 -2.656 -23.630 43.710 1.00 24.55 C ATOM 2036 O PHE A 247 -3.650 -23.096 44.207 1.00 24.44 O ATOM 2037 CB PHE A 247 -2.344 -22.783 41.411 1.00 22.83 C ATOM 2038 CG PHE A 247 -2.420 -23.017 39.928 1.00 24.44 C ATOM 2039 CD1 PHE A 247 -1.307 -23.446 39.222 1.00 23.31 C ATOM 2040 CD2 PHE A 247 -3.596 -22.741 39.233 1.00 25.11 C ATOM 2041 CE1 PHE A 247 -1.370 -23.639 37.852 1.00 25.12 C ATOM 2042 CE2 PHE A 247 -3.670 -22.946 37.864 1.00 22.23 C ATOM 2043 CZ PHE A 247 -2.559 -23.380 37.177 1.00 23.26 C ATOM 0 H PHE A 247 -4.550 -24.167 41.793 1.00 22.37 H new ATOM 0 HA PHE A 247 -1.904 -24.676 42.125 1.00 23.70 H new ATOM 0 HB2 PHE A 247 -2.983 -22.095 41.654 1.00 22.83 H new ATOM 0 HB3 PHE A 247 -1.463 -22.442 41.631 1.00 22.83 H new ATOM 0 HD1 PHE A 247 -0.510 -23.606 39.673 1.00 23.31 H new ATOM 0 HD2 PHE A 247 -4.337 -22.417 39.691 1.00 25.11 H new ATOM 0 HE1 PHE A 247 -0.623 -23.940 37.387 1.00 25.12 H new ATOM 0 HE2 PHE A 247 -4.467 -22.791 37.411 1.00 22.23 H new ATOM 0 HZ PHE A 247 -2.603 -23.501 36.256 1.00 23.26 H new ATOM 2044 N GLU A 248 -1.559 -23.895 44.396 1.00 25.48 N ATOM 2045 CA GLU A 248 -1.451 -23.525 45.779 1.00 27.09 C ATOM 2046 C GLU A 248 -0.044 -23.002 45.987 1.00 26.89 C ATOM 2047 O GLU A 248 0.887 -23.519 45.397 1.00 26.57 O ATOM 2048 CB GLU A 248 -1.692 -24.773 46.629 1.00 28.36 C ATOM 2049 CG GLU A 248 -1.770 -24.498 48.106 1.00 32.63 C ATOM 2050 CD GLU A 248 -2.333 -25.671 48.851 1.00 37.76 C ATOM 2051 OE1 GLU A 248 -3.378 -26.166 48.421 1.00 40.61 O ATOM 2052 OE2 GLU A 248 -1.735 -26.099 49.858 1.00 39.79 O ATOM 0 H GLU A 248 -0.867 -24.290 44.073 1.00 25.48 H new ATOM 0 HA GLU A 248 -2.098 -22.847 46.030 1.00 27.09 H new ATOM 0 HB2 GLU A 248 -2.518 -25.194 46.343 1.00 28.36 H new ATOM 0 HB3 GLU A 248 -0.978 -25.409 46.464 1.00 28.36 H new ATOM 0 HG2 GLU A 248 -0.885 -24.291 48.446 1.00 32.63 H new ATOM 0 HG3 GLU A 248 -2.324 -23.717 48.263 1.00 32.63 H new ATOM 2053 N ILE A 249 0.105 -21.981 46.827 1.00 25.73 N ATOM 2054 CA ILE A 249 1.429 -21.490 47.185 1.00 25.65 C ATOM 2055 C ILE A 249 1.757 -21.992 48.587 1.00 24.86 C ATOM 2056 O ILE A 249 0.903 -21.946 49.470 1.00 24.23 O ATOM 2057 CB ILE A 249 1.498 -19.926 47.058 1.00 25.42 C ATOM 2058 CG1 ILE A 249 2.932 -19.447 46.831 1.00 28.79 C ATOM 2059 CG2 ILE A 249 0.855 -19.227 48.235 1.00 26.24 C ATOM 2060 CD1 ILE A 249 3.301 -19.395 45.345 1.00 29.05 C ATOM 0 H ILE A 249 -0.547 -21.561 47.199 1.00 25.73 H new ATOM 0 HA ILE A 249 2.100 -21.830 46.573 1.00 25.65 H new ATOM 0 HB ILE A 249 0.981 -19.683 46.274 1.00 25.42 H new ATOM 0 HG12 ILE A 249 3.041 -18.565 47.220 1.00 28.79 H new ATOM 0 HG13 ILE A 249 3.545 -20.039 47.294 1.00 28.79 H new ATOM 0 HG21 ILE A 249 0.920 -18.267 48.116 1.00 26.24 H new ATOM 0 HG22 ILE A 249 -0.079 -19.483 48.293 1.00 26.24 H new ATOM 0 HG23 ILE A 249 1.311 -19.483 49.052 1.00 26.24 H new ATOM 0 HD11 ILE A 249 4.216 -19.087 45.249 1.00 29.05 H new ATOM 0 HD12 ILE A 249 3.216 -20.281 44.959 1.00 29.05 H new ATOM 0 HD13 ILE A 249 2.705 -18.784 44.884 1.00 29.05 H new ATOM 2061 N GLU A 250 2.973 -22.496 48.775 1.00 24.77 N ATOM 2062 CA GLU A 250 3.404 -23.052 50.057 1.00 25.78 C ATOM 2063 C GLU A 250 4.591 -22.229 50.570 1.00 25.28 C ATOM 2064 O GLU A 250 5.394 -21.753 49.774 1.00 25.59 O ATOM 2065 CB GLU A 250 3.798 -24.538 49.923 1.00 25.91 C ATOM 2066 CG GLU A 250 4.785 -25.002 51.042 1.00 30.47 C ATOM 2067 CD GLU A 250 5.654 -26.161 50.624 1.00 38.44 C ATOM 2068 OE1 GLU A 250 5.146 -27.307 50.649 1.00 41.18 O ATOM 2069 OE2 GLU A 250 6.843 -25.946 50.270 1.00 40.55 O ATOM 0 H GLU A 250 3.574 -22.526 48.161 1.00 24.77 H new ATOM 0 HA GLU A 250 2.668 -23.006 50.687 1.00 25.78 H new ATOM 0 HB2 GLU A 250 2.998 -25.085 49.955 1.00 25.91 H new ATOM 0 HB3 GLU A 250 4.207 -24.684 49.055 1.00 25.91 H new ATOM 0 HG2 GLU A 250 5.351 -24.256 51.296 1.00 30.47 H new ATOM 0 HG3 GLU A 250 4.277 -25.253 51.829 1.00 30.47 H new ATOM 2070 N GLY A 251 4.655 -22.013 51.883 1.00 24.61 N ATOM 2071 CA GLY A 251 5.821 -21.404 52.499 1.00 24.26 C ATOM 2072 C GLY A 251 5.886 -19.929 52.160 1.00 23.39 C ATOM 2073 O GLY A 251 6.957 -19.366 52.025 1.00 23.76 O ATOM 0 H GLY A 251 4.027 -22.215 52.434 1.00 24.61 H new ATOM 0 HA2 GLY A 251 5.783 -21.520 53.461 1.00 24.26 H new ATOM 0 HA3 GLY A 251 6.626 -21.849 52.191 1.00 24.26 H new ATOM 2074 N TYR A 252 4.718 -19.328 51.978 1.00 22.54 N ATOM 2075 CA TYR A 252 4.643 -17.918 51.624 1.00 22.87 C ATOM 2076 C TYR A 252 4.298 -17.169 52.900 1.00 23.34 C ATOM 2077 O TYR A 252 3.185 -17.260 53.424 1.00 23.34 O ATOM 2078 CB TYR A 252 3.604 -17.668 50.514 1.00 20.87 C ATOM 2079 CG TYR A 252 3.546 -16.228 49.993 1.00 19.93 C ATOM 2080 CD1 TYR A 252 4.716 -15.543 49.582 1.00 19.71 C ATOM 2081 CD2 TYR A 252 2.328 -15.566 49.916 1.00 19.23 C ATOM 2082 CE1 TYR A 252 4.634 -14.233 49.060 1.00 19.27 C ATOM 2083 CE2 TYR A 252 2.219 -14.270 49.406 1.00 18.27 C ATOM 2084 CZ TYR A 252 3.371 -13.591 48.992 1.00 18.66 C ATOM 2085 OH TYR A 252 3.245 -12.291 48.510 1.00 19.10 O ATOM 0 H TYR A 252 3.956 -19.719 52.055 1.00 22.54 H new ATOM 0 HA TYR A 252 5.488 -17.606 51.263 1.00 22.87 H new ATOM 0 HB2 TYR A 252 3.797 -18.259 49.770 1.00 20.87 H new ATOM 0 HB3 TYR A 252 2.727 -17.912 50.850 1.00 20.87 H new ATOM 0 HD1 TYR A 252 5.544 -15.959 49.656 1.00 19.71 H new ATOM 0 HD2 TYR A 252 1.561 -15.999 50.213 1.00 19.23 H new ATOM 0 HE1 TYR A 252 5.400 -13.796 48.764 1.00 19.27 H new ATOM 0 HE2 TYR A 252 1.386 -13.861 49.342 1.00 18.27 H new ATOM 0 HH TYR A 252 3.998 -12.007 48.270 1.00 19.10 H new ATOM 2086 N ASP A 253 5.278 -16.442 53.410 1.00 24.13 N ATOM 2087 CA ASP A 253 5.074 -15.710 54.625 1.00 25.62 C ATOM 2088 C ASP A 253 5.407 -14.228 54.398 1.00 24.25 C ATOM 2089 O ASP A 253 6.418 -13.750 54.905 1.00 25.02 O ATOM 2090 CB ASP A 253 6.008 -16.317 55.661 1.00 26.40 C ATOM 2091 CG ASP A 253 5.625 -15.964 57.040 1.00 31.64 C ATOM 2092 OD1 ASP A 253 4.443 -15.617 57.287 1.00 35.84 O ATOM 2093 OD2 ASP A 253 6.539 -16.009 57.888 1.00 39.64 O ATOM 0 H ASP A 253 6.062 -16.365 53.064 1.00 24.13 H new ATOM 0 HA ASP A 253 4.152 -15.762 54.923 1.00 25.62 H new ATOM 0 HB2 ASP A 253 6.009 -17.282 55.566 1.00 26.40 H new ATOM 0 HB3 ASP A 253 6.914 -16.014 55.492 1.00 26.40 H new ATOM 2094 N PRO A 254 4.581 -13.507 53.622 1.00 22.73 N ATOM 2095 CA PRO A 254 4.983 -12.148 53.250 1.00 22.42 C ATOM 2096 C PRO A 254 4.877 -11.126 54.380 1.00 22.50 C ATOM 2097 O PRO A 254 4.179 -11.368 55.380 1.00 21.48 O ATOM 2098 CB PRO A 254 3.960 -11.769 52.178 1.00 22.57 C ATOM 2099 CG PRO A 254 2.711 -12.526 52.551 1.00 22.55 C ATOM 2100 CD PRO A 254 3.284 -13.884 53.023 1.00 23.36 C ATOM 0 HA PRO A 254 5.915 -12.138 52.981 1.00 22.42 H new ATOM 0 HB2 PRO A 254 3.801 -10.812 52.166 1.00 22.57 H new ATOM 0 HB3 PRO A 254 4.270 -12.016 51.293 1.00 22.57 H new ATOM 0 HG2 PRO A 254 2.212 -12.079 53.253 1.00 22.55 H new ATOM 0 HG3 PRO A 254 2.110 -12.628 51.797 1.00 22.55 H new ATOM 0 HD2 PRO A 254 2.702 -14.315 53.668 1.00 23.36 H new ATOM 0 HD3 PRO A 254 3.396 -14.503 52.285 1.00 23.36 H new ATOM 2101 N HIS A 255 5.507 -9.974 54.169 1.00 22.31 N ATOM 2102 CA HIS A 255 5.203 -8.762 54.909 1.00 22.37 C ATOM 2103 C HIS A 255 3.784 -8.327 54.541 1.00 22.99 C ATOM 2104 O HIS A 255 3.221 -8.813 53.554 1.00 23.04 O ATOM 2105 CB HIS A 255 6.191 -7.672 54.521 1.00 21.95 C ATOM 2106 CG HIS A 255 7.582 -7.981 54.957 1.00 22.61 C ATOM 2107 ND1 HIS A 255 8.088 -7.547 56.162 1.00 26.95 N ATOM 2108 CD2 HIS A 255 8.553 -8.732 54.382 1.00 19.78 C ATOM 2109 CE1 HIS A 255 9.323 -8.007 56.304 1.00 27.21 C ATOM 2110 NE2 HIS A 255 9.622 -8.740 55.242 1.00 23.07 N ATOM 0 H HIS A 255 6.130 -9.877 53.584 1.00 22.31 H new ATOM 0 HA HIS A 255 5.269 -8.920 55.864 1.00 22.37 H new ATOM 0 HB2 HIS A 255 6.176 -7.554 53.558 1.00 21.95 H new ATOM 0 HB3 HIS A 255 5.911 -6.831 54.915 1.00 21.95 H new ATOM 0 HD2 HIS A 255 8.504 -9.161 53.559 1.00 19.78 H new ATOM 0 HE1 HIS A 255 9.885 -7.843 57.027 1.00 27.21 H new ATOM 0 HE2 HIS A 255 10.365 -9.153 55.113 1.00 23.07 H new ATOM 2111 N PRO A 256 3.202 -7.420 55.332 1.00 22.38 N ATOM 2112 CA PRO A 256 1.827 -7.003 55.050 1.00 22.22 C ATOM 2113 C PRO A 256 1.632 -6.436 53.642 1.00 21.38 C ATOM 2114 O PRO A 256 2.563 -5.846 53.089 1.00 19.57 O ATOM 2115 CB PRO A 256 1.593 -5.927 56.089 1.00 21.43 C ATOM 2116 CG PRO A 256 2.478 -6.402 57.280 1.00 22.68 C ATOM 2117 CD PRO A 256 3.727 -6.785 56.565 1.00 22.70 C ATOM 0 HA PRO A 256 1.210 -7.751 55.089 1.00 22.22 H new ATOM 0 HB2 PRO A 256 1.861 -5.052 55.768 1.00 21.43 H new ATOM 0 HB3 PRO A 256 0.658 -5.864 56.338 1.00 21.43 H new ATOM 0 HG2 PRO A 256 2.628 -5.698 57.930 1.00 22.68 H new ATOM 0 HG3 PRO A 256 2.083 -7.149 57.756 1.00 22.68 H new ATOM 0 HD2 PRO A 256 4.282 -6.014 56.367 1.00 22.70 H new ATOM 0 HD3 PRO A 256 4.269 -7.398 57.086 1.00 22.70 H new ATOM 2118 N GLY A 257 0.432 -6.615 53.085 1.00 21.80 N ATOM 2119 CA GLY A 257 0.131 -6.039 51.783 1.00 22.52 C ATOM 2120 C GLY A 257 0.256 -4.520 51.855 1.00 24.28 C ATOM 2121 O GLY A 257 0.124 -3.925 52.946 1.00 23.23 O ATOM 0 H GLY A 257 -0.211 -7.061 53.442 1.00 21.80 H new ATOM 0 HA2 GLY A 257 0.739 -6.392 51.115 1.00 22.52 H new ATOM 0 HA3 GLY A 257 -0.766 -6.286 51.509 1.00 22.52 H new ATOM 2122 N ILE A 258 0.519 -3.891 50.704 1.00 24.83 N ATOM 2123 CA ILE A 258 0.660 -2.448 50.632 1.00 26.56 C ATOM 2124 C ILE A 258 -0.304 -1.976 49.555 1.00 30.00 C ATOM 2125 O ILE A 258 -0.147 -2.346 48.385 1.00 29.74 O ATOM 2126 CB ILE A 258 2.103 -2.013 50.253 1.00 25.53 C ATOM 2127 CG1 ILE A 258 3.102 -2.415 51.346 1.00 24.19 C ATOM 2128 CG2 ILE A 258 2.157 -0.473 50.082 1.00 25.98 C ATOM 2129 CD1 ILE A 258 4.621 -2.363 50.897 1.00 24.32 C ATOM 0 H ILE A 258 0.619 -4.294 49.951 1.00 24.83 H new ATOM 0 HA ILE A 258 0.470 -2.060 51.500 1.00 26.56 H new ATOM 0 HB ILE A 258 2.341 -2.456 49.423 1.00 25.53 H new ATOM 0 HG12 ILE A 258 2.982 -1.829 52.110 1.00 24.19 H new ATOM 0 HG13 ILE A 258 2.895 -3.315 51.643 1.00 24.19 H new ATOM 0 HG21 ILE A 258 3.059 -0.205 49.846 1.00 25.98 H new ATOM 0 HG22 ILE A 258 1.545 -0.204 49.379 1.00 25.98 H new ATOM 0 HG23 ILE A 258 1.901 -0.046 50.914 1.00 25.98 H new ATOM 0 HD11 ILE A 258 5.187 -2.629 51.638 1.00 24.32 H new ATOM 0 HD12 ILE A 258 4.759 -2.968 50.152 1.00 24.32 H new ATOM 0 HD13 ILE A 258 4.848 -1.460 50.626 1.00 24.32 H new ATOM 2130 N LYS A 259 -1.292 -1.175 49.946 1.00 33.28 N ATOM 2131 CA LYS A 259 -2.312 -0.729 49.006 1.00 38.43 C ATOM 2132 C LYS A 259 -1.841 0.516 48.298 1.00 40.72 C ATOM 2133 O LYS A 259 -1.364 1.455 48.932 1.00 40.87 O ATOM 2134 CB LYS A 259 -3.646 -0.468 49.724 1.00 39.29 C ATOM 2135 CG LYS A 259 -4.332 -1.742 50.276 1.00 43.67 C ATOM 2136 CD LYS A 259 -4.755 -2.727 49.140 1.00 47.95 C ATOM 2137 CE LYS A 259 -6.263 -2.641 48.817 1.00 48.59 C ATOM 2138 NZ LYS A 259 -6.652 -3.493 47.635 1.00 48.78 N ATOM 0 H LYS A 259 -1.388 -0.880 50.748 1.00 33.28 H new ATOM 0 HA LYS A 259 -2.459 -1.430 48.352 1.00 38.43 H new ATOM 0 HB2 LYS A 259 -3.491 0.147 50.458 1.00 39.29 H new ATOM 0 HB3 LYS A 259 -4.252 -0.028 49.108 1.00 39.29 H new ATOM 0 HG2 LYS A 259 -3.727 -2.194 50.885 1.00 43.67 H new ATOM 0 HG3 LYS A 259 -5.115 -1.489 50.790 1.00 43.67 H new ATOM 0 HD2 LYS A 259 -4.244 -2.532 48.339 1.00 47.95 H new ATOM 0 HD3 LYS A 259 -4.534 -3.634 49.403 1.00 47.95 H new ATOM 0 HE2 LYS A 259 -6.773 -2.919 49.594 1.00 48.59 H new ATOM 0 HE3 LYS A 259 -6.500 -1.718 48.638 1.00 48.59 H new ATOM 0 HZ1 LYS A 259 -7.526 -3.413 47.486 1.00 48.78 H new ATOM 0 HZ2 LYS A 259 -6.203 -3.225 46.915 1.00 48.78 H new ATOM 0 HZ3 LYS A 259 -6.457 -4.345 47.806 1.00 48.78 H new ATOM 2139 N ALA A 260 -1.949 0.535 46.980 1.00 44.65 N ATOM 2140 CA ALA A 260 -1.508 1.726 46.265 1.00 48.53 C ATOM 2141 C ALA A 260 -2.504 2.162 45.216 1.00 51.22 C ATOM 2142 O ALA A 260 -3.003 1.322 44.451 1.00 51.81 O ATOM 2143 CB ALA A 260 -0.145 1.524 45.652 1.00 48.45 C ATOM 0 H ALA A 260 -2.261 -0.102 46.494 1.00 44.65 H new ATOM 0 HA ALA A 260 -1.446 2.438 46.921 1.00 48.53 H new ATOM 0 HB1 ALA A 260 0.122 2.330 45.184 1.00 48.45 H new ATOM 0 HB2 ALA A 260 0.499 1.328 46.351 1.00 48.45 H new ATOM 0 HB3 ALA A 260 -0.178 0.783 45.026 1.00 48.45 H new ATOM 2144 N PRO A 261 -2.775 3.483 45.162 1.00 53.49 N ATOM 2145 CA PRO A 261 -3.805 4.068 44.297 1.00 55.03 C ATOM 2146 C PRO A 261 -3.511 3.864 42.807 1.00 56.75 C ATOM 2147 O PRO A 261 -2.334 3.832 42.398 1.00 56.74 O ATOM 2148 CB PRO A 261 -3.745 5.558 44.646 1.00 55.09 C ATOM 2149 CG PRO A 261 -2.362 5.773 45.205 1.00 54.61 C ATOM 2150 CD PRO A 261 -2.054 4.513 45.939 1.00 53.75 C ATOM 0 HA PRO A 261 -4.672 3.658 44.441 1.00 55.03 H new ATOM 0 HB2 PRO A 261 -3.896 6.109 43.862 1.00 55.09 H new ATOM 0 HB3 PRO A 261 -4.427 5.794 45.294 1.00 55.09 H new ATOM 0 HG2 PRO A 261 -1.717 5.937 44.499 1.00 54.61 H new ATOM 0 HG3 PRO A 261 -2.336 6.541 45.796 1.00 54.61 H new ATOM 0 HD2 PRO A 261 -1.100 4.339 45.966 1.00 53.75 H new ATOM 0 HD3 PRO A 261 -2.362 4.549 46.858 1.00 53.75 H new ATOM 2151 N VAL A 262 -4.576 3.702 42.017 1.00 58.22 N ATOM 2152 CA VAL A 262 -4.475 3.707 40.544 1.00 59.46 C ATOM 2153 C VAL A 262 -4.722 5.118 40.015 1.00 59.99 C ATOM 2154 O VAL A 262 -5.392 5.920 40.688 1.00 60.33 O ATOM 2155 CB VAL A 262 -5.450 2.710 39.843 1.00 59.58 C ATOM 2156 CG1 VAL A 262 -5.010 1.260 40.072 1.00 59.86 C ATOM 2157 CG2 VAL A 262 -6.924 2.948 40.266 1.00 59.98 C ATOM 0 H VAL A 262 -5.375 3.586 42.313 1.00 58.22 H new ATOM 0 HA VAL A 262 -3.576 3.411 40.332 1.00 59.46 H new ATOM 0 HB VAL A 262 -5.408 2.879 38.889 1.00 59.58 H new ATOM 0 HG11 VAL A 262 -5.629 0.660 39.628 1.00 59.86 H new ATOM 0 HG12 VAL A 262 -4.120 1.131 39.710 1.00 59.86 H new ATOM 0 HG13 VAL A 262 -5.002 1.070 41.023 1.00 59.86 H new ATOM 0 HG21 VAL A 262 -7.498 2.312 39.811 1.00 59.98 H new ATOM 0 HG22 VAL A 262 -7.008 2.831 41.225 1.00 59.98 H new ATOM 0 HG23 VAL A 262 -7.188 3.850 40.026 1.00 59.98 H new TER 2158 VAL A 262 HETATM 2159 N CXM B 1 34.225 -4.875 22.249 1.00 18.21 N HETATM 2160 CA CXM B 1 33.794 -4.019 23.343 1.00 18.52 C HETATM 2161 CB CXM B 1 32.460 -3.327 23.039 1.00 18.42 C HETATM 2162 CG CXM B 1 32.532 -2.474 21.773 1.00 18.16 C HETATM 2163 SD CXM B 1 30.911 -1.830 21.307 1.00 22.70 S HETATM 2164 CE CXM B 1 30.198 -3.305 20.508 1.00 21.36 C HETATM 2165 C CXM B 1 33.699 -4.799 24.644 1.00 18.26 C HETATM 2166 O CXM B 1 33.480 -6.014 24.623 1.00 17.46 O HETATM 2167 CN CXM B 1 35.290 -4.575 21.493 1.00 18.57 C HETATM 2168 ON1 CXM B 1 35.585 -3.374 21.281 1.00 17.84 O HETATM 2169 ON2 CXM B 1 35.418 -5.394 20.567 1.00 19.37 O HETATM 0 HG3 CXM B 1 33.145 -1.736 21.915 1.00 18.16 H new HETATM 0 HG2 CXM B 1 32.891 -3.005 21.045 1.00 18.16 H new HETATM 0 HE3 CXM B 1 30.009 -3.110 19.577 1.00 21.36 H new HETATM 0 HE2 CXM B 1 30.829 -4.040 20.562 1.00 21.36 H new HETATM 0 HE1 CXM B 1 29.376 -3.552 20.959 1.00 21.36 H new HETATM 0 HB3 CXM B 1 31.765 -3.996 22.938 1.00 18.42 H new HETATM 0 HB2 CXM B 1 32.208 -2.768 23.791 1.00 18.42 H new HETATM 0 HA CXM B 1 34.469 -3.329 23.443 1.00 18.52 H new HETATM 0 H CXM B 1 33.784 -5.594 22.083 1.00 18.21 H new ATOM 2170 N LYS B 2 33.879 -4.101 25.758 1.00 18.01 N ATOM 2171 CA LYS B 2 33.848 -4.789 27.055 1.00 19.36 C ATOM 2172 C LYS B 2 32.581 -5.595 27.237 1.00 19.38 C ATOM 2173 O LYS B 2 32.611 -6.785 27.596 1.00 20.18 O ATOM 2174 CB LYS B 2 33.947 -3.804 28.206 1.00 21.18 C ATOM 2175 CG LYS B 2 34.036 -4.579 29.502 1.00 24.57 C ATOM 2176 CD LYS B 2 34.652 -3.785 30.620 1.00 31.61 C ATOM 2177 CE LYS B 2 33.665 -2.790 31.197 1.00 33.14 C ATOM 2178 NZ LYS B 2 34.457 -1.766 31.989 1.00 31.37 N ATOM 0 H LYS B 2 34.017 -3.253 25.793 1.00 18.01 H new ATOM 0 HA LYS B 2 34.614 -5.385 27.060 1.00 19.36 H new ATOM 0 HB2 LYS B 2 34.728 -3.238 28.098 1.00 21.18 H new ATOM 0 HB3 LYS B 2 33.173 -3.220 28.216 1.00 21.18 H new ATOM 0 HG2 LYS B 2 33.146 -4.862 29.765 1.00 24.57 H new ATOM 0 HG3 LYS B 2 34.559 -5.383 29.357 1.00 24.57 H new ATOM 0 HD2 LYS B 2 34.954 -4.386 31.319 1.00 31.61 H new ATOM 0 HD3 LYS B 2 35.435 -3.315 30.293 1.00 31.61 H new ATOM 0 HE2 LYS B 2 33.162 -2.358 30.488 1.00 33.14 H new ATOM 0 HE3 LYS B 2 33.022 -3.239 31.768 1.00 33.14 H new ATOM 0 HZ1 LYS B 2 33.900 -1.167 32.340 1.00 31.37 H new ATOM 0 HZ2 LYS B 2 34.903 -2.175 32.642 1.00 31.37 H new ATOM 0 HZ3 LYS B 2 35.033 -1.354 31.450 1.00 31.37 H new ATOM 2179 N GLN B 3 31.444 -4.970 26.990 1.00 19.23 N ATOM 2180 CA GLN B 3 30.197 -5.737 27.124 1.00 20.43 C ATOM 2181 C GLN B 3 30.079 -6.922 26.188 1.00 20.48 C ATOM 2182 O GLN B 3 29.554 -7.971 26.564 1.00 20.28 O ATOM 2183 CB GLN B 3 29.003 -4.854 26.954 1.00 20.64 C ATOM 2184 CG GLN B 3 28.681 -4.249 28.288 1.00 25.25 C ATOM 2185 CD GLN B 3 27.572 -3.271 28.194 1.00 27.29 C ATOM 2186 OE1 GLN B 3 26.499 -3.444 28.826 1.00 27.83 O ATOM 2187 NE2 GLN B 3 27.811 -2.204 27.424 1.00 30.62 N ATOM 0 H GLN B 3 31.361 -4.147 26.755 1.00 19.23 H new ATOM 0 HA GLN B 3 30.228 -6.098 28.024 1.00 20.43 H new ATOM 0 HB2 GLN B 3 29.185 -4.160 26.302 1.00 20.64 H new ATOM 0 HB3 GLN B 3 28.248 -5.365 26.622 1.00 20.64 H new ATOM 0 HG2 GLN B 3 28.441 -4.951 28.913 1.00 25.25 H new ATOM 0 HG3 GLN B 3 29.470 -3.811 28.644 1.00 25.25 H new ATOM 0 HE21 GLN B 3 28.562 -2.131 27.011 1.00 30.62 H new ATOM 0 HE22 GLN B 3 27.214 -1.591 27.342 1.00 30.62 H new ATOM 2188 N TYR B 4 30.572 -6.752 24.965 1.00 20.41 N ATOM 2189 CA TYR B 4 30.532 -7.823 23.977 1.00 19.06 C ATOM 2190 C TYR B 4 31.427 -9.030 24.395 1.00 19.47 C ATOM 2191 O TYR B 4 31.014 -10.194 24.350 1.00 18.50 O ATOM 2192 CB TYR B 4 30.922 -7.239 22.605 1.00 18.69 C ATOM 2193 CG TYR B 4 31.076 -8.295 21.562 1.00 20.37 C ATOM 2194 CD1 TYR B 4 29.954 -8.803 20.899 1.00 20.16 C ATOM 2195 CD2 TYR B 4 32.333 -8.799 21.237 1.00 17.58 C ATOM 2196 CE1 TYR B 4 30.087 -9.810 19.947 1.00 18.74 C ATOM 2197 CE2 TYR B 4 32.479 -9.773 20.301 1.00 17.27 C ATOM 2198 CZ TYR B 4 31.344 -10.290 19.655 1.00 20.06 C ATOM 2199 OH TYR B 4 31.488 -11.265 18.709 1.00 19.62 O ATOM 0 H TYR B 4 30.934 -6.023 24.688 1.00 20.41 H new ATOM 0 HA TYR B 4 29.632 -8.181 23.918 1.00 19.06 H new ATOM 0 HB2 TYR B 4 30.245 -6.604 22.322 1.00 18.69 H new ATOM 0 HB3 TYR B 4 31.754 -6.748 22.690 1.00 18.69 H new ATOM 0 HD1 TYR B 4 29.111 -8.465 21.096 1.00 20.16 H new ATOM 0 HD2 TYR B 4 33.085 -8.463 21.668 1.00 17.58 H new ATOM 0 HE1 TYR B 4 29.338 -10.153 19.515 1.00 18.74 H new ATOM 0 HE2 TYR B 4 33.325 -10.095 20.089 1.00 17.27 H new ATOM 0 HH TYR B 4 30.745 -11.630 18.567 1.00 19.62 H new ATOM 2200 N LEU B 5 32.647 -8.736 24.834 1.00 18.72 N ATOM 2201 CA LEU B 5 33.529 -9.758 25.326 1.00 19.79 C ATOM 2202 C LEU B 5 32.960 -10.417 26.570 1.00 20.03 C ATOM 2203 O LEU B 5 33.164 -11.619 26.779 1.00 19.01 O ATOM 2204 CB LEU B 5 34.892 -9.146 25.657 1.00 20.56 C ATOM 2205 CG LEU B 5 36.075 -9.276 24.698 1.00 23.22 C ATOM 2206 CD1 LEU B 5 35.774 -9.561 23.250 1.00 21.15 C ATOM 2207 CD2 LEU B 5 37.067 -8.166 24.899 1.00 21.28 C ATOM 0 H LEU B 5 32.975 -7.941 24.851 1.00 18.72 H new ATOM 0 HA LEU B 5 33.627 -10.432 24.636 1.00 19.79 H new ATOM 0 HB2 LEU B 5 34.748 -8.198 25.802 1.00 20.56 H new ATOM 0 HB3 LEU B 5 35.173 -9.523 26.505 1.00 20.56 H new ATOM 0 HG LEU B 5 36.488 -10.113 24.962 1.00 23.22 H new ATOM 0 HD11 LEU B 5 36.604 -9.619 22.752 1.00 21.15 H new ATOM 0 HD12 LEU B 5 35.295 -10.401 23.178 1.00 21.15 H new ATOM 0 HD13 LEU B 5 35.229 -8.846 22.886 1.00 21.15 H new ATOM 0 HD21 LEU B 5 37.805 -8.275 24.278 1.00 21.28 H new ATOM 0 HD22 LEU B 5 36.634 -7.312 24.740 1.00 21.28 H new ATOM 0 HD23 LEU B 5 37.404 -8.193 25.808 1.00 21.28 H new ATOM 2208 N GLU B 6 32.264 -9.640 27.402 1.00 20.39 N ATOM 2209 CA GLU B 6 31.634 -10.227 28.590 1.00 21.21 C ATOM 2210 C GLU B 6 30.583 -11.272 28.199 1.00 20.43 C ATOM 2211 O GLU B 6 30.505 -12.348 28.795 1.00 20.87 O ATOM 2212 CB GLU B 6 31.014 -9.152 29.474 1.00 22.20 C ATOM 2213 CG GLU B 6 30.855 -9.644 30.934 1.00 26.77 C ATOM 2214 CD GLU B 6 32.212 -9.920 31.615 1.00 32.75 C ATOM 2215 OE1 GLU B 6 33.161 -9.144 31.319 1.00 35.12 O ATOM 2216 OE2 GLU B 6 32.319 -10.885 32.444 1.00 32.76 O ATOM 0 H GLU B 6 32.146 -8.794 27.303 1.00 20.39 H new ATOM 0 HA GLU B 6 32.330 -10.672 29.099 1.00 21.21 H new ATOM 0 HB2 GLU B 6 31.570 -8.357 29.457 1.00 22.20 H new ATOM 0 HB3 GLU B 6 30.147 -8.900 29.120 1.00 22.20 H new ATOM 0 HG2 GLU B 6 30.369 -8.978 31.446 1.00 26.77 H new ATOM 0 HG3 GLU B 6 30.321 -10.454 30.943 1.00 26.77 H new ATOM 2217 N LEU B 7 29.799 -10.963 27.181 1.00 18.65 N ATOM 2218 CA LEU B 7 28.831 -11.946 26.679 1.00 19.35 C ATOM 2219 C LEU B 7 29.524 -13.192 26.101 1.00 18.90 C ATOM 2220 O LEU B 7 29.138 -14.327 26.362 1.00 19.10 O ATOM 2221 CB LEU B 7 27.955 -11.286 25.626 1.00 18.06 C ATOM 2222 CG LEU B 7 27.038 -12.276 24.914 1.00 19.21 C ATOM 2223 CD1 LEU B 7 26.137 -12.954 25.966 1.00 18.55 C ATOM 2224 CD2 LEU B 7 26.236 -11.480 23.886 1.00 19.46 C ATOM 0 H LEU B 7 29.803 -10.208 26.768 1.00 18.65 H new ATOM 0 HA LEU B 7 28.285 -12.247 27.422 1.00 19.35 H new ATOM 0 HB2 LEU B 7 27.416 -10.597 26.045 1.00 18.06 H new ATOM 0 HB3 LEU B 7 28.519 -10.846 24.971 1.00 18.06 H new ATOM 0 HG LEU B 7 27.527 -12.978 24.457 1.00 19.21 H new ATOM 0 HD11 LEU B 7 25.547 -13.587 25.528 1.00 18.55 H new ATOM 0 HD12 LEU B 7 26.689 -13.421 26.613 1.00 18.55 H new ATOM 0 HD13 LEU B 7 25.607 -12.281 26.421 1.00 18.55 H new ATOM 0 HD21 LEU B 7 25.638 -12.077 23.410 1.00 19.46 H new ATOM 0 HD22 LEU B 7 25.717 -10.797 24.339 1.00 19.46 H new ATOM 0 HD23 LEU B 7 26.843 -11.061 23.256 1.00 19.46 H new ATOM 2225 N MET B 8 30.572 -12.971 25.334 1.00 19.31 N ATOM 2226 CA MET B 8 31.372 -14.067 24.806 1.00 21.56 C ATOM 2227 C MET B 8 31.885 -14.988 25.895 1.00 22.65 C ATOM 2228 O MET B 8 31.733 -16.207 25.816 1.00 22.00 O ATOM 2229 CB MET B 8 32.538 -13.475 24.064 1.00 21.82 C ATOM 2230 CG MET B 8 32.654 -13.998 22.714 1.00 23.14 C ATOM 2231 SD MET B 8 34.101 -13.271 21.895 1.00 23.91 S ATOM 2232 CE MET B 8 33.616 -13.439 20.174 1.00 23.52 C ATOM 0 H MET B 8 30.843 -12.188 25.103 1.00 19.31 H new ATOM 0 HA MET B 8 30.811 -14.602 24.223 1.00 21.56 H new ATOM 0 HB2 MET B 8 32.440 -12.511 24.028 1.00 21.82 H new ATOM 0 HB3 MET B 8 33.356 -13.659 24.551 1.00 21.82 H new ATOM 0 HG2 MET B 8 32.737 -14.964 22.739 1.00 23.14 H new ATOM 0 HG3 MET B 8 31.851 -13.795 22.210 1.00 23.14 H new ATOM 0 HE1 MET B 8 34.337 -13.851 19.673 1.00 23.52 H new ATOM 0 HE2 MET B 8 32.823 -13.994 20.114 1.00 23.52 H new ATOM 0 HE3 MET B 8 33.425 -12.563 19.804 1.00 23.52 H new ATOM 2233 N GLN B 9 32.467 -14.391 26.929 1.00 22.73 N ATOM 2234 CA GLN B 9 32.905 -15.138 28.094 1.00 24.77 C ATOM 2235 C GLN B 9 31.755 -15.895 28.767 1.00 24.50 C ATOM 2236 O GLN B 9 31.944 -17.055 29.183 1.00 25.01 O ATOM 2237 CB GLN B 9 33.554 -14.175 29.101 1.00 25.54 C ATOM 2238 CG GLN B 9 34.193 -14.892 30.276 1.00 29.03 C ATOM 2239 CD GLN B 9 35.283 -15.802 29.805 1.00 35.60 C ATOM 2240 OE1 GLN B 9 36.281 -15.343 29.236 1.00 39.27 O ATOM 2241 NE2 GLN B 9 35.093 -17.116 29.993 1.00 37.13 N ATOM 0 H GLN B 9 32.617 -13.545 26.972 1.00 22.73 H new ATOM 0 HA GLN B 9 33.549 -15.799 27.796 1.00 24.77 H new ATOM 0 HB2 GLN B 9 34.227 -13.645 28.647 1.00 25.54 H new ATOM 0 HB3 GLN B 9 32.882 -13.558 29.431 1.00 25.54 H new ATOM 0 HG2 GLN B 9 34.553 -14.243 30.901 1.00 29.03 H new ATOM 0 HG3 GLN B 9 33.521 -15.403 30.754 1.00 29.03 H new ATOM 0 HE21 GLN B 9 34.385 -17.395 30.394 1.00 37.13 H new ATOM 0 HE22 GLN B 9 35.679 -17.680 29.713 1.00 37.13 H new ATOM 2242 N LYS B 10 30.602 -15.239 28.925 1.00 23.60 N ATOM 2243 CA LYS B 10 29.395 -15.855 29.527 1.00 24.16 C ATOM 2244 C LYS B 10 28.950 -17.109 28.768 1.00 23.18 C ATOM 2245 O LYS B 10 28.604 -18.113 29.403 1.00 23.78 O ATOM 2246 CB LYS B 10 28.233 -14.849 29.649 1.00 23.36 C ATOM 2247 CG LYS B 10 26.906 -15.422 30.290 1.00 23.99 C ATOM 2248 CD LYS B 10 25.886 -14.292 30.569 1.00 26.88 C ATOM 2249 CE LYS B 10 24.380 -14.760 30.661 1.00 28.96 C ATOM 2250 NZ LYS B 10 23.317 -13.659 30.573 1.00 22.89 N ATOM 0 H LYS B 10 30.490 -14.420 28.687 1.00 23.60 H new ATOM 0 HA LYS B 10 29.646 -16.127 30.424 1.00 24.16 H new ATOM 0 HB2 LYS B 10 28.532 -14.095 30.181 1.00 23.36 H new ATOM 0 HB3 LYS B 10 28.026 -14.508 28.765 1.00 23.36 H new ATOM 0 HG2 LYS B 10 26.512 -16.077 29.693 1.00 23.99 H new ATOM 0 HG3 LYS B 10 27.116 -15.883 31.117 1.00 23.99 H new ATOM 0 HD2 LYS B 10 26.126 -13.856 31.401 1.00 26.88 H new ATOM 0 HD3 LYS B 10 25.961 -13.626 29.868 1.00 26.88 H new ATOM 0 HE2 LYS B 10 24.216 -15.398 29.949 1.00 28.96 H new ATOM 0 HE3 LYS B 10 24.259 -15.233 31.499 1.00 28.96 H new ATOM 0 HZ1 LYS B 10 22.554 -14.006 30.275 1.00 22.89 H new ATOM 0 HZ2 LYS B 10 23.187 -13.307 31.380 1.00 22.89 H new ATOM 0 HZ3 LYS B 10 23.592 -13.024 30.013 1.00 22.89 H new ATOM 2251 N VAL B 11 28.969 -17.070 27.427 1.00 22.20 N ATOM 2252 CA VAL B 11 28.567 -18.230 26.654 1.00 22.34 C ATOM 2253 C VAL B 11 29.572 -19.363 26.947 1.00 25.28 C ATOM 2254 O VAL B 11 29.190 -20.519 27.117 1.00 23.80 O ATOM 2255 CB VAL B 11 28.444 -17.919 25.168 1.00 21.76 C ATOM 2256 CG1 VAL B 11 28.095 -19.181 24.387 1.00 21.71 C ATOM 2257 CG2 VAL B 11 27.388 -16.819 24.958 1.00 18.68 C ATOM 0 H VAL B 11 29.209 -16.388 26.961 1.00 22.20 H new ATOM 0 HA VAL B 11 27.678 -18.512 26.919 1.00 22.34 H new ATOM 0 HB VAL B 11 29.295 -17.595 24.834 1.00 21.76 H new ATOM 0 HG11 VAL B 11 28.020 -18.968 23.444 1.00 21.71 H new ATOM 0 HG12 VAL B 11 28.792 -19.843 24.514 1.00 21.71 H new ATOM 0 HG13 VAL B 11 27.250 -19.536 24.706 1.00 21.71 H new ATOM 0 HG21 VAL B 11 27.310 -16.621 24.012 1.00 18.68 H new ATOM 0 HG22 VAL B 11 26.531 -17.124 25.296 1.00 18.68 H new ATOM 0 HG23 VAL B 11 27.656 -16.018 25.434 1.00 18.68 H new ATOM 2258 N LEU B 12 30.855 -19.013 27.047 1.00 27.81 N ATOM 2259 CA LEU B 12 31.872 -20.011 27.451 1.00 30.26 C ATOM 2260 C LEU B 12 31.598 -20.517 28.853 1.00 32.15 C ATOM 2261 O LEU B 12 31.553 -21.726 29.069 1.00 34.04 O ATOM 2262 CB LEU B 12 33.296 -19.444 27.351 1.00 30.47 C ATOM 2263 CG LEU B 12 33.809 -19.172 25.935 1.00 31.18 C ATOM 2264 CD1 LEU B 12 35.297 -18.791 25.999 1.00 31.24 C ATOM 2265 CD2 LEU B 12 33.617 -20.399 25.014 1.00 33.56 C ATOM 0 H LEU B 12 31.160 -18.224 26.891 1.00 27.81 H new ATOM 0 HA LEU B 12 31.809 -20.757 26.834 1.00 30.26 H new ATOM 0 HB2 LEU B 12 33.332 -18.615 27.854 1.00 30.47 H new ATOM 0 HB3 LEU B 12 33.904 -20.064 27.783 1.00 30.47 H new ATOM 0 HG LEU B 12 33.295 -18.440 25.560 1.00 31.18 H new ATOM 0 HD11 LEU B 12 35.626 -18.618 25.103 1.00 31.24 H new ATOM 0 HD12 LEU B 12 35.404 -17.994 26.542 1.00 31.24 H new ATOM 0 HD13 LEU B 12 35.801 -19.520 26.393 1.00 31.24 H new ATOM 0 HD21 LEU B 12 33.951 -20.194 24.127 1.00 33.56 H new ATOM 0 HD22 LEU B 12 34.105 -21.155 25.376 1.00 33.56 H new ATOM 0 HD23 LEU B 12 32.674 -20.619 24.960 1.00 33.56 H new ATOM 2266 N ASP B 13 31.380 -19.597 29.792 1.00 33.68 N ATOM 2267 CA ASP B 13 31.224 -19.923 31.210 1.00 34.32 C ATOM 2268 C ASP B 13 30.005 -20.799 31.465 1.00 34.55 C ATOM 2269 O ASP B 13 30.110 -21.802 32.145 1.00 34.84 O ATOM 2270 CB ASP B 13 31.099 -18.653 32.070 1.00 34.36 C ATOM 2271 CG ASP B 13 32.421 -17.877 32.216 1.00 37.33 C ATOM 2272 OD1 ASP B 13 33.499 -18.391 31.832 1.00 40.26 O ATOM 2273 OD2 ASP B 13 32.369 -16.734 32.728 1.00 38.57 O ATOM 0 H ASP B 13 31.318 -18.756 29.622 1.00 33.68 H new ATOM 0 HA ASP B 13 32.024 -20.411 31.460 1.00 34.32 H new ATOM 0 HB2 ASP B 13 30.431 -18.069 31.677 1.00 34.36 H new ATOM 0 HB3 ASP B 13 30.777 -18.898 32.952 1.00 34.36 H new ATOM 2274 N GLU B 14 28.843 -20.417 30.951 1.00 33.99 N ATOM 2275 CA GLU B 14 27.643 -21.179 31.276 1.00 34.55 C ATOM 2276 C GLU B 14 26.806 -21.731 30.161 1.00 33.11 C ATOM 2277 O GLU B 14 25.656 -22.155 30.413 1.00 32.03 O ATOM 2278 CB GLU B 14 26.714 -20.380 32.158 1.00 35.79 C ATOM 2279 CG GLU B 14 26.945 -18.941 32.163 1.00 38.91 C ATOM 2280 CD GLU B 14 26.638 -18.413 33.497 1.00 43.65 C ATOM 2281 OE1 GLU B 14 25.625 -17.697 33.594 1.00 46.21 O ATOM 2282 OE2 GLU B 14 27.386 -18.755 34.454 1.00 45.40 O ATOM 0 H GLU B 14 28.727 -19.743 30.429 1.00 33.99 H new ATOM 0 HA GLU B 14 28.039 -21.952 31.708 1.00 34.55 H new ATOM 0 HB2 GLU B 14 25.801 -20.545 31.875 1.00 35.79 H new ATOM 0 HB3 GLU B 14 26.793 -20.709 33.067 1.00 35.79 H new ATOM 0 HG2 GLU B 14 27.867 -18.749 31.931 1.00 38.91 H new ATOM 0 HG3 GLU B 14 26.388 -18.510 31.496 1.00 38.91 H new ATOM 2283 N GLY B 15 27.336 -21.704 28.937 1.00 32.11 N ATOM 2284 CA GLY B 15 26.603 -22.229 27.798 1.00 29.95 C ATOM 2285 C GLY B 15 26.366 -23.723 27.899 1.00 29.92 C ATOM 2286 O GLY B 15 27.155 -24.435 28.517 1.00 27.98 O ATOM 0 H GLY B 15 28.114 -21.387 28.751 1.00 32.11 H new ATOM 0 HA2 GLY B 15 25.750 -21.773 27.728 1.00 29.95 H new ATOM 0 HA3 GLY B 15 27.095 -22.037 26.984 1.00 29.95 H new ATOM 2287 N THR B 16 25.289 -24.194 27.265 1.00 29.24 N ATOM 2288 CA THR B 16 24.967 -25.612 27.210 1.00 30.35 C ATOM 2289 C THR B 16 25.276 -26.040 25.818 1.00 31.11 C ATOM 2290 O THR B 16 25.005 -25.288 24.875 1.00 29.51 O ATOM 2291 CB THR B 16 23.463 -25.845 27.455 1.00 30.65 C ATOM 2292 OG1 THR B 16 23.152 -25.423 28.780 1.00 32.31 O ATOM 2293 CG2 THR B 16 23.072 -27.316 27.329 1.00 30.95 C ATOM 0 H THR B 16 24.724 -23.692 26.854 1.00 29.24 H new ATOM 0 HA THR B 16 25.466 -26.101 27.883 1.00 30.35 H new ATOM 0 HB THR B 16 22.975 -25.342 26.784 1.00 30.65 H new ATOM 0 HG1 THR B 16 22.719 -24.704 28.751 1.00 32.31 H new ATOM 0 HG21 THR B 16 22.121 -27.413 27.491 1.00 30.95 H new ATOM 0 HG22 THR B 16 23.282 -27.631 26.436 1.00 30.95 H new ATOM 0 HG23 THR B 16 23.565 -27.839 27.980 1.00 30.95 H new ATOM 2294 N GLN B 17 25.828 -27.247 25.680 1.00 32.21 N ATOM 2295 CA GLN B 17 26.136 -27.785 24.377 1.00 35.28 C ATOM 2296 C GLN B 17 24.856 -28.257 23.754 1.00 36.03 C ATOM 2297 O GLN B 17 24.084 -28.969 24.387 1.00 35.70 O ATOM 2298 CB GLN B 17 27.136 -28.938 24.459 1.00 35.21 C ATOM 2299 CG GLN B 17 28.535 -28.484 24.819 1.00 38.13 C ATOM 2300 CD GLN B 17 29.529 -29.639 24.950 1.00 38.80 C ATOM 2301 OE1 GLN B 17 29.233 -30.675 25.549 1.00 44.09 O ATOM 2302 NE2 GLN B 17 30.717 -29.451 24.395 1.00 43.04 N ATOM 0 H GLN B 17 26.029 -27.764 26.337 1.00 32.21 H new ATOM 0 HA GLN B 17 26.547 -27.091 23.838 1.00 35.28 H new ATOM 0 HB2 GLN B 17 26.829 -29.579 25.119 1.00 35.21 H new ATOM 0 HB3 GLN B 17 27.161 -29.399 23.606 1.00 35.21 H new ATOM 0 HG2 GLN B 17 28.853 -27.867 24.141 1.00 38.13 H new ATOM 0 HG3 GLN B 17 28.505 -27.995 25.656 1.00 38.13 H new ATOM 0 HE21 GLN B 17 30.888 -28.715 23.985 1.00 43.04 H new ATOM 0 HE22 GLN B 17 31.317 -30.065 24.445 1.00 43.04 H new ATOM 2303 N LYS B 18 24.620 -27.835 22.522 1.00 37.46 N ATOM 2304 CA LYS B 18 23.431 -28.236 21.812 1.00 39.58 C ATOM 2305 C LYS B 18 23.720 -28.641 20.390 1.00 42.21 C ATOM 2306 O LYS B 18 24.795 -28.379 19.852 1.00 41.90 O ATOM 2307 CB LYS B 18 22.443 -27.106 21.755 1.00 38.73 C ATOM 2308 CG LYS B 18 21.634 -26.913 22.983 1.00 37.61 C ATOM 2309 CD LYS B 18 20.537 -25.939 22.646 1.00 34.53 C ATOM 2310 CE LYS B 18 19.593 -25.742 23.792 1.00 31.64 C ATOM 2311 NZ LYS B 18 18.249 -25.436 23.232 1.00 28.85 N ATOM 0 H LYS B 18 25.142 -27.313 22.081 1.00 37.46 H new ATOM 0 HA LYS B 18 23.074 -28.995 22.299 1.00 39.58 H new ATOM 0 HB2 LYS B 18 22.923 -26.284 21.569 1.00 38.73 H new ATOM 0 HB3 LYS B 18 21.842 -27.258 21.009 1.00 38.73 H new ATOM 0 HG2 LYS B 18 21.262 -27.757 23.284 1.00 37.61 H new ATOM 0 HG3 LYS B 18 22.184 -26.572 23.705 1.00 37.61 H new ATOM 0 HD2 LYS B 18 20.927 -25.086 22.399 1.00 34.53 H new ATOM 0 HD3 LYS B 18 20.045 -26.261 21.874 1.00 34.53 H new ATOM 0 HE2 LYS B 18 19.557 -26.539 24.343 1.00 31.64 H new ATOM 0 HE3 LYS B 18 19.897 -25.017 24.361 1.00 31.64 H new ATOM 0 HZ1 LYS B 18 17.688 -25.244 23.895 1.00 28.85 H new ATOM 0 HZ2 LYS B 18 18.308 -24.739 22.682 1.00 28.85 H new ATOM 0 HZ3 LYS B 18 17.946 -26.142 22.783 1.00 28.85 H new ATOM 2312 N ASN B 19 22.719 -29.275 19.786 1.00 45.30 N ATOM 2313 CA ASN B 19 22.706 -29.514 18.363 1.00 47.92 C ATOM 2314 C ASN B 19 21.818 -28.522 17.634 1.00 49.20 C ATOM 2315 O ASN B 19 20.950 -27.860 18.225 1.00 49.54 O ATOM 2316 CB ASN B 19 22.285 -30.949 18.062 1.00 48.49 C ATOM 2317 CG ASN B 19 23.465 -31.845 17.837 1.00 50.17 C ATOM 2318 OD1 ASN B 19 23.825 -32.653 18.702 1.00 51.77 O ATOM 2319 ND2 ASN B 19 24.107 -31.689 16.678 1.00 52.13 N ATOM 0 H ASN B 19 22.028 -29.577 20.199 1.00 45.30 H new ATOM 0 HA ASN B 19 23.610 -29.385 18.036 1.00 47.92 H new ATOM 0 HB2 ASN B 19 21.756 -31.291 18.799 1.00 48.49 H new ATOM 0 HB3 ASN B 19 21.717 -30.960 17.276 1.00 48.49 H new ATOM 0 HD21 ASN B 19 24.804 -32.162 16.506 1.00 52.13 H new ATOM 0 HD22 ASN B 19 23.823 -31.116 16.103 1.00 52.13 H new ATOM 2320 N ASP B 20 22.078 -28.418 16.340 1.00 50.95 N ATOM 2321 CA ASP B 20 21.309 -27.593 15.424 1.00 52.50 C ATOM 2322 C ASP B 20 20.919 -28.524 14.290 1.00 52.84 C ATOM 2323 O ASP B 20 21.511 -29.609 14.163 1.00 52.80 O ATOM 2324 CB ASP B 20 22.192 -26.467 14.892 1.00 52.85 C ATOM 2325 CG ASP B 20 23.652 -26.875 14.814 1.00 55.01 C ATOM 2326 OD1 ASP B 20 23.987 -27.828 14.088 1.00 55.72 O ATOM 2327 OD2 ASP B 20 24.475 -26.254 15.511 1.00 59.94 O ATOM 0 H ASP B 20 22.725 -28.837 15.960 1.00 50.95 H new ATOM 0 HA ASP B 20 20.535 -27.190 15.847 1.00 52.50 H new ATOM 0 HB2 ASP B 20 21.883 -26.204 14.011 1.00 52.85 H new ATOM 0 HB3 ASP B 20 22.105 -25.690 15.466 1.00 52.85 H new ATOM 2328 N ARG B 21 19.942 -28.115 13.473 1.00 52.99 N ATOM 2329 CA ARG B 21 19.494 -28.934 12.340 1.00 53.30 C ATOM 2330 C ARG B 21 20.681 -29.334 11.454 1.00 53.50 C ATOM 2331 O ARG B 21 20.735 -30.457 10.942 1.00 53.43 O ATOM 2332 CB ARG B 21 18.421 -28.206 11.520 1.00 53.34 C ATOM 0 H ARG B 21 19.526 -27.367 13.558 1.00 52.99 H new ATOM 0 HA ARG B 21 19.096 -29.743 12.697 1.00 53.30 H new ATOM 2333 N THR B 22 21.640 -28.415 11.308 1.00 53.60 N ATOM 2334 CA THR B 22 22.852 -28.638 10.506 1.00 53.14 C ATOM 2335 C THR B 22 23.799 -29.717 11.084 1.00 52.46 C ATOM 2336 O THR B 22 24.583 -30.325 10.346 1.00 52.88 O ATOM 2337 CB THR B 22 23.599 -27.291 10.212 1.00 53.28 C ATOM 2338 OG1 THR B 22 24.640 -27.508 9.256 1.00 54.63 O ATOM 2339 CG2 THR B 22 24.205 -26.687 11.466 1.00 53.05 C ATOM 0 H THR B 22 21.606 -27.638 11.674 1.00 53.60 H new ATOM 0 HA THR B 22 22.547 -29.001 9.660 1.00 53.14 H new ATOM 0 HB THR B 22 22.940 -26.671 9.863 1.00 53.28 H new ATOM 0 HG1 THR B 22 25.035 -26.783 9.102 1.00 54.63 H new ATOM 0 HG21 THR B 22 24.656 -25.858 11.241 1.00 53.05 H new ATOM 0 HG22 THR B 22 23.503 -26.508 12.111 1.00 53.05 H new ATOM 0 HG23 THR B 22 24.844 -27.309 11.849 1.00 53.05 H new ATOM 2340 N GLY B 23 23.711 -29.962 12.391 1.00 51.29 N ATOM 2341 CA GLY B 23 24.572 -30.937 13.060 1.00 49.48 C ATOM 2342 C GLY B 23 25.985 -30.441 13.354 1.00 48.39 C ATOM 2343 O GLY B 23 26.925 -31.241 13.459 1.00 49.00 O ATOM 0 H GLY B 23 23.152 -29.569 12.913 1.00 51.29 H new ATOM 0 HA2 GLY B 23 24.154 -31.201 13.895 1.00 49.48 H new ATOM 0 HA3 GLY B 23 24.630 -31.733 12.508 1.00 49.48 H new ATOM 2344 N THR B 24 26.139 -29.125 13.483 1.00 46.42 N ATOM 2345 CA THR B 24 27.426 -28.506 13.849 1.00 44.53 C ATOM 2346 C THR B 24 27.557 -28.352 15.361 1.00 42.41 C ATOM 2347 O THR B 24 28.631 -28.582 15.923 1.00 43.17 O ATOM 2348 CB THR B 24 27.575 -27.135 13.196 1.00 44.37 C ATOM 2349 OG1 THR B 24 27.503 -27.299 11.782 1.00 45.63 O ATOM 2350 CG2 THR B 24 28.911 -26.479 13.560 1.00 44.36 C ATOM 0 H THR B 24 25.502 -28.560 13.362 1.00 46.42 H new ATOM 0 HA THR B 24 28.127 -29.095 13.529 1.00 44.53 H new ATOM 0 HB THR B 24 26.863 -26.559 13.517 1.00 44.37 H new ATOM 0 HG1 THR B 24 27.582 -26.551 11.409 1.00 45.63 H new ATOM 0 HG21 THR B 24 28.974 -25.612 13.130 1.00 44.36 H new ATOM 0 HG22 THR B 24 28.965 -26.367 14.522 1.00 44.36 H new ATOM 0 HG23 THR B 24 29.641 -27.042 13.259 1.00 44.36 H new ATOM 2351 N GLY B 25 26.474 -27.952 16.012 1.00 39.45 N ATOM 2352 CA GLY B 25 26.503 -27.743 17.452 1.00 35.79 C ATOM 2353 C GLY B 25 26.873 -26.346 17.930 1.00 33.20 C ATOM 2354 O GLY B 25 27.662 -25.634 17.294 1.00 31.92 O ATOM 0 H GLY B 25 25.714 -27.796 15.640 1.00 39.45 H new ATOM 0 HA2 GLY B 25 25.628 -27.964 17.808 1.00 35.79 H new ATOM 0 HA3 GLY B 25 27.133 -28.372 17.837 1.00 35.79 H new ATOM 2355 N THR B 26 26.280 -25.973 19.064 1.00 30.76 N ATOM 2356 CA THR B 26 26.450 -24.647 19.653 1.00 29.46 C ATOM 2357 C THR B 26 26.705 -24.754 21.157 1.00 28.07 C ATOM 2358 O THR B 26 26.396 -25.780 21.794 1.00 27.09 O ATOM 2359 CB THR B 26 25.207 -23.712 19.427 1.00 29.80 C ATOM 2360 OG1 THR B 26 24.005 -24.334 19.933 1.00 29.92 O ATOM 2361 CG2 THR B 26 25.023 -23.329 17.968 1.00 29.07 C ATOM 0 H THR B 26 25.762 -26.489 19.517 1.00 30.76 H new ATOM 0 HA THR B 26 27.213 -24.252 19.203 1.00 29.46 H new ATOM 0 HB THR B 26 25.378 -22.894 19.920 1.00 29.80 H new ATOM 0 HG1 THR B 26 23.711 -23.889 20.582 1.00 29.92 H new ATOM 0 HG21 THR B 26 24.247 -22.754 17.880 1.00 29.07 H new ATOM 0 HG22 THR B 26 25.811 -22.858 17.655 1.00 29.07 H new ATOM 0 HG23 THR B 26 24.894 -24.130 17.437 1.00 29.07 H new ATOM 2362 N LEU B 27 27.292 -23.703 21.718 1.00 25.74 N ATOM 2363 CA LEU B 27 27.218 -23.473 23.142 1.00 24.86 C ATOM 2364 C LEU B 27 26.191 -22.357 23.252 1.00 23.85 C ATOM 2365 O LEU B 27 26.323 -21.344 22.587 1.00 22.51 O ATOM 2366 CB LEU B 27 28.561 -22.989 23.694 1.00 24.62 C ATOM 2367 CG LEU B 27 29.579 -23.989 24.221 1.00 29.40 C ATOM 2368 CD1 LEU B 27 30.798 -23.193 24.733 1.00 26.98 C ATOM 2369 CD2 LEU B 27 29.012 -24.900 25.316 1.00 29.49 C ATOM 0 H LEU B 27 27.739 -23.111 21.283 1.00 25.74 H new ATOM 0 HA LEU B 27 26.990 -24.274 23.639 1.00 24.86 H new ATOM 0 HB2 LEU B 27 28.995 -22.481 22.990 1.00 24.62 H new ATOM 0 HB3 LEU B 27 28.369 -22.368 24.414 1.00 24.62 H new ATOM 0 HG LEU B 27 29.836 -24.585 23.500 1.00 29.40 H new ATOM 0 HD11 LEU B 27 31.465 -23.808 25.076 1.00 26.98 H new ATOM 0 HD12 LEU B 27 31.178 -22.678 24.004 1.00 26.98 H new ATOM 0 HD13 LEU B 27 30.518 -22.592 25.441 1.00 26.98 H new ATOM 0 HD21 LEU B 27 29.700 -25.515 25.614 1.00 29.49 H new ATOM 0 HD22 LEU B 27 28.715 -24.360 26.065 1.00 29.49 H new ATOM 0 HD23 LEU B 27 28.261 -25.403 24.963 1.00 29.49 H new ATOM 2370 N SER B 28 25.165 -22.539 24.069 1.00 23.68 N ATOM 2371 CA SER B 28 24.067 -21.571 24.090 1.00 23.74 C ATOM 2372 C SER B 28 23.748 -21.141 25.487 1.00 22.24 C ATOM 2373 O SER B 28 23.826 -21.927 26.431 1.00 22.24 O ATOM 2374 CB SER B 28 22.786 -22.169 23.492 1.00 24.53 C ATOM 2375 OG SER B 28 22.995 -22.555 22.136 1.00 31.97 O ATOM 0 H SER B 28 25.080 -23.201 24.611 1.00 23.68 H new ATOM 0 HA SER B 28 24.363 -20.812 23.563 1.00 23.74 H new ATOM 0 HB2 SER B 28 22.509 -22.939 24.013 1.00 24.53 H new ATOM 0 HB3 SER B 28 22.067 -21.520 23.541 1.00 24.53 H new ATOM 0 HG SER B 28 22.528 -22.072 21.632 1.00 31.97 H new ATOM 2376 N ILE B 29 23.377 -19.883 25.632 1.00 21.08 N ATOM 2377 CA ILE B 29 22.782 -19.413 26.880 1.00 20.71 C ATOM 2378 C ILE B 29 21.483 -18.734 26.481 1.00 20.00 C ATOM 2379 O ILE B 29 21.232 -18.546 25.301 1.00 19.73 O ATOM 2380 CB ILE B 29 23.633 -18.380 27.619 1.00 20.94 C ATOM 2381 CG1 ILE B 29 23.724 -17.080 26.774 1.00 19.75 C ATOM 2382 CG2 ILE B 29 24.970 -19.037 28.078 1.00 20.78 C ATOM 2383 CD1 ILE B 29 24.399 -15.908 27.442 1.00 22.61 C ATOM 0 H ILE B 29 23.459 -19.281 25.023 1.00 21.08 H new ATOM 0 HA ILE B 29 22.679 -20.169 27.479 1.00 20.71 H new ATOM 0 HB ILE B 29 23.226 -18.086 28.449 1.00 20.94 H new ATOM 0 HG12 ILE B 29 24.200 -17.281 25.953 1.00 19.75 H new ATOM 0 HG13 ILE B 29 22.826 -16.814 26.523 1.00 19.75 H new ATOM 0 HG21 ILE B 29 25.509 -18.381 28.547 1.00 20.78 H new ATOM 0 HG22 ILE B 29 24.779 -19.781 28.671 1.00 20.78 H new ATOM 0 HG23 ILE B 29 25.455 -19.359 27.302 1.00 20.78 H new ATOM 0 HD11 ILE B 29 24.405 -15.150 26.837 1.00 22.61 H new ATOM 0 HD12 ILE B 29 23.915 -15.673 28.249 1.00 22.61 H new ATOM 0 HD13 ILE B 29 25.311 -16.147 27.670 1.00 22.61 H new ATOM 2384 N PHE B 30 20.646 -18.418 27.462 1.00 17.78 N ATOM 2385 CA PHE B 30 19.356 -17.823 27.140 1.00 18.25 C ATOM 2386 C PHE B 30 19.111 -16.600 27.975 1.00 18.02 C ATOM 2387 O PHE B 30 19.101 -16.666 29.222 1.00 18.15 O ATOM 2388 CB PHE B 30 18.233 -18.832 27.350 1.00 16.84 C ATOM 2389 CG PHE B 30 16.870 -18.307 26.952 1.00 16.41 C ATOM 2390 CD1 PHE B 30 16.580 -17.965 25.624 1.00 18.47 C ATOM 2391 CD2 PHE B 30 15.892 -18.119 27.916 1.00 16.99 C ATOM 2392 CE1 PHE B 30 15.308 -17.472 25.280 1.00 16.78 C ATOM 2393 CE2 PHE B 30 14.628 -17.614 27.577 1.00 18.95 C ATOM 2394 CZ PHE B 30 14.337 -17.295 26.254 1.00 16.63 C ATOM 0 H PHE B 30 20.800 -18.536 28.300 1.00 17.78 H new ATOM 0 HA PHE B 30 19.371 -17.562 26.206 1.00 18.25 H new ATOM 0 HB2 PHE B 30 18.426 -19.632 26.837 1.00 16.84 H new ATOM 0 HB3 PHE B 30 18.212 -19.092 28.284 1.00 16.84 H new ATOM 0 HD1 PHE B 30 17.231 -18.064 24.967 1.00 18.47 H new ATOM 0 HD2 PHE B 30 16.077 -18.331 28.802 1.00 16.99 H new ATOM 0 HE1 PHE B 30 15.117 -17.264 24.394 1.00 16.78 H new ATOM 0 HE2 PHE B 30 13.984 -17.492 28.237 1.00 18.95 H new ATOM 0 HZ PHE B 30 13.498 -16.966 26.025 1.00 16.63 H new ATOM 2395 N GLY B 31 18.900 -15.482 27.287 1.00 18.56 N ATOM 2396 CA GLY B 31 18.648 -14.225 27.958 1.00 19.03 C ATOM 2397 C GLY B 31 19.916 -13.495 28.345 1.00 19.19 C ATOM 2398 O GLY B 31 20.734 -13.998 29.126 1.00 19.66 O ATOM 0 H GLY B 31 18.900 -15.436 26.428 1.00 18.56 H new ATOM 0 HA2 GLY B 31 18.117 -13.656 27.379 1.00 19.03 H new ATOM 0 HA3 GLY B 31 18.120 -14.390 28.755 1.00 19.03 H new ATOM 2399 N HIS B 32 20.074 -12.292 27.816 1.00 17.92 N ATOM 2400 CA HIS B 32 21.228 -11.459 28.152 1.00 18.36 C ATOM 2401 C HIS B 32 20.838 -10.042 27.822 1.00 17.66 C ATOM 2402 O HIS B 32 19.946 -9.819 27.014 1.00 18.04 O ATOM 2403 CB HIS B 32 22.471 -11.845 27.326 1.00 18.12 C ATOM 2404 CG HIS B 32 23.746 -11.298 27.884 1.00 18.81 C ATOM 2405 ND1 HIS B 32 24.390 -11.846 28.972 1.00 22.43 N ATOM 2406 CD2 HIS B 32 24.521 -10.267 27.470 1.00 18.71 C ATOM 2407 CE1 HIS B 32 25.488 -11.159 29.226 1.00 18.12 C ATOM 2408 NE2 HIS B 32 25.594 -10.196 28.327 1.00 23.19 N ATOM 0 H HIS B 32 19.525 -11.935 27.258 1.00 17.92 H new ATOM 0 HA HIS B 32 21.458 -11.574 29.087 1.00 18.36 H new ATOM 0 HB2 HIS B 32 22.534 -12.812 27.281 1.00 18.12 H new ATOM 0 HB3 HIS B 32 22.360 -11.525 26.417 1.00 18.12 H new ATOM 0 HD2 HIS B 32 24.358 -9.711 26.742 1.00 18.71 H new ATOM 0 HE1 HIS B 32 26.085 -11.324 29.919 1.00 18.12 H new ATOM 0 HE2 HIS B 32 26.230 -9.619 28.285 1.00 23.19 H new ATOM 2409 N GLN B 33 21.518 -9.074 28.422 1.00 17.08 N ATOM 2410 CA GLN B 33 21.254 -7.687 28.050 1.00 17.72 C ATOM 2411 C GLN B 33 22.549 -6.856 28.123 1.00 18.33 C ATOM 2412 O GLN B 33 23.399 -7.080 29.010 1.00 17.97 O ATOM 2413 CB GLN B 33 20.160 -7.109 28.959 1.00 17.70 C ATOM 2414 CG GLN B 33 19.707 -5.682 28.572 1.00 18.16 C ATOM 2415 CD GLN B 33 18.511 -5.313 29.339 1.00 19.60 C ATOM 2416 OE1 GLN B 33 18.753 -4.764 30.497 1.00 21.61 O flip ATOM 2417 NE2 GLN B 33 17.343 -5.531 28.914 1.00 14.02 N flip ATOM 0 H GLN B 33 22.118 -9.190 29.028 1.00 17.08 H new ATOM 0 HA GLN B 33 20.937 -7.652 27.134 1.00 17.72 H new ATOM 0 HB2 GLN B 33 19.390 -7.699 28.938 1.00 17.70 H new ATOM 0 HB3 GLN B 33 20.485 -7.098 29.873 1.00 17.70 H new ATOM 0 HG2 GLN B 33 20.421 -5.049 28.746 1.00 18.16 H new ATOM 0 HG3 GLN B 33 19.517 -5.641 27.622 1.00 18.16 H new ATOM 0 HE21 GLN B 33 17.227 -5.895 28.144 1.00 14.02 H new ATOM 0 HE22 GLN B 33 16.663 -5.315 29.395 1.00 14.02 H new ATOM 2418 N MET B 34 22.727 -5.959 27.158 1.00 16.96 N ATOM 2419 CA MET B 34 23.869 -5.062 27.125 1.00 19.15 C ATOM 2420 C MET B 34 23.379 -3.687 26.819 1.00 19.03 C ATOM 2421 O MET B 34 22.328 -3.541 26.157 1.00 18.15 O ATOM 2422 CB MET B 34 24.854 -5.460 26.025 1.00 17.64 C ATOM 2423 CG MET B 34 25.230 -6.866 26.033 1.00 22.14 C ATOM 2424 SD MET B 34 26.571 -7.190 24.891 1.00 22.04 S ATOM 2425 CE MET B 34 25.738 -7.277 23.281 1.00 21.29 C ATOM 0 H MET B 34 22.182 -5.856 26.500 1.00 16.96 H new ATOM 0 HA MET B 34 24.317 -5.104 27.984 1.00 19.15 H new ATOM 0 HB2 MET B 34 24.463 -5.246 25.163 1.00 17.64 H new ATOM 0 HB3 MET B 34 25.656 -4.922 26.114 1.00 17.64 H new ATOM 0 HG2 MET B 34 25.496 -7.126 26.929 1.00 22.14 H new ATOM 0 HG3 MET B 34 24.462 -7.409 25.796 1.00 22.14 H new ATOM 0 HE1 MET B 34 26.399 -7.246 22.572 1.00 21.29 H new ATOM 0 HE2 MET B 34 25.238 -8.106 23.220 1.00 21.29 H new ATOM 0 HE3 MET B 34 25.131 -6.526 23.190 1.00 21.29 H new ATOM 2426 N ARG B 35 24.127 -2.683 27.291 1.00 18.75 N ATOM 2427 CA ARG B 35 23.746 -1.270 27.088 1.00 18.81 C ATOM 2428 C ARG B 35 24.939 -0.529 26.536 1.00 19.56 C ATOM 2429 O ARG B 35 26.034 -0.503 27.153 1.00 18.07 O ATOM 2430 CB ARG B 35 23.325 -0.595 28.413 1.00 18.26 C ATOM 2431 CG ARG B 35 22.907 0.862 28.279 1.00 19.04 C ATOM 2432 CD ARG B 35 22.535 1.478 29.614 1.00 19.75 C ATOM 2433 NE ARG B 35 21.508 0.683 30.259 1.00 21.61 N ATOM 2434 CZ ARG B 35 20.202 0.857 30.076 1.00 20.71 C ATOM 2435 NH1 ARG B 35 19.762 1.810 29.296 1.00 19.49 N ATOM 2436 NH2 ARG B 35 19.333 0.075 30.695 1.00 21.82 N ATOM 0 H ARG B 35 24.858 -2.794 27.731 1.00 18.75 H new ATOM 0 HA ARG B 35 22.993 -1.242 26.478 1.00 18.81 H new ATOM 0 HB2 ARG B 35 22.589 -1.096 28.797 1.00 18.26 H new ATOM 0 HB3 ARG B 35 24.064 -0.651 29.039 1.00 18.26 H new ATOM 0 HG2 ARG B 35 23.632 1.369 27.882 1.00 19.04 H new ATOM 0 HG3 ARG B 35 22.152 0.925 27.674 1.00 19.04 H new ATOM 0 HD2 ARG B 35 23.318 1.531 30.183 1.00 19.75 H new ATOM 0 HD3 ARG B 35 22.217 2.385 29.483 1.00 19.75 H new ATOM 0 HE ARG B 35 21.760 0.059 30.794 1.00 21.61 H new ATOM 0 HH11 ARG B 35 20.318 2.330 28.897 1.00 19.49 H new ATOM 0 HH12 ARG B 35 18.916 1.917 29.182 1.00 19.49 H new ATOM 0 HH21 ARG B 35 19.612 -0.548 31.218 1.00 21.82 H new ATOM 0 HH22 ARG B 35 18.489 0.190 30.575 1.00 21.82 H new ATOM 2437 N PHE B 36 24.721 0.101 25.393 1.00 17.41 N ATOM 2438 CA PHE B 36 25.762 0.911 24.765 1.00 18.71 C ATOM 2439 C PHE B 36 25.336 2.360 24.773 1.00 18.71 C ATOM 2440 O PHE B 36 24.326 2.716 24.138 1.00 19.54 O ATOM 2441 CB PHE B 36 25.992 0.434 23.328 1.00 19.55 C ATOM 2442 CG PHE B 36 26.399 -0.994 23.258 1.00 20.06 C ATOM 2443 CD1 PHE B 36 27.704 -1.361 23.558 1.00 21.54 C ATOM 2444 CD2 PHE B 36 25.465 -1.985 22.961 1.00 18.97 C ATOM 2445 CE1 PHE B 36 28.090 -2.732 23.537 1.00 20.49 C ATOM 2446 CE2 PHE B 36 25.851 -3.327 22.902 1.00 16.70 C ATOM 2447 CZ PHE B 36 27.167 -3.693 23.220 1.00 20.21 C ATOM 0 H PHE B 36 23.978 0.075 24.961 1.00 17.41 H new ATOM 0 HA PHE B 36 26.592 0.819 25.259 1.00 18.71 H new ATOM 0 HB2 PHE B 36 25.179 0.561 22.815 1.00 19.55 H new ATOM 0 HB3 PHE B 36 26.677 0.983 22.914 1.00 19.55 H new ATOM 0 HD1 PHE B 36 28.330 -0.708 23.774 1.00 21.54 H new ATOM 0 HD2 PHE B 36 24.579 -1.752 22.801 1.00 18.97 H new ATOM 0 HE1 PHE B 36 28.965 -2.974 23.738 1.00 20.49 H new ATOM 0 HE2 PHE B 36 25.235 -3.977 22.652 1.00 16.70 H new ATOM 0 HZ PHE B 36 27.413 -4.590 23.216 1.00 20.21 H new ATOM 2448 N ASN B 37 26.092 3.185 25.499 1.00 17.89 N ATOM 2449 CA ASN B 37 25.844 4.636 25.468 1.00 18.74 C ATOM 2450 C ASN B 37 26.441 5.202 24.187 1.00 18.51 C ATOM 2451 O ASN B 37 27.678 5.246 24.018 1.00 17.27 O ATOM 2452 CB ASN B 37 26.450 5.306 26.691 1.00 19.51 C ATOM 2453 CG ASN B 37 26.037 6.761 26.834 1.00 22.31 C ATOM 2454 OD1 ASN B 37 26.123 7.512 25.754 1.00 25.38 O flip ATOM 2455 ND2 ASN B 37 25.647 7.205 27.921 1.00 20.04 N flip ATOM 0 H ASN B 37 26.740 2.936 26.006 1.00 17.89 H new ATOM 0 HA ASN B 37 24.890 4.808 25.484 1.00 18.74 H new ATOM 0 HB2 ASN B 37 26.183 4.819 27.486 1.00 19.51 H new ATOM 0 HB3 ASN B 37 27.417 5.253 26.637 1.00 19.51 H new ATOM 0 HD21 ASN B 37 25.603 6.687 28.606 1.00 20.04 H new ATOM 0 HD22 ASN B 37 25.420 8.032 27.991 1.00 20.04 H new ATOM 2456 N LEU B 38 25.583 5.640 23.270 1.00 18.10 N ATOM 2457 CA LEU B 38 26.058 6.002 21.936 1.00 19.52 C ATOM 2458 C LEU B 38 26.863 7.310 21.908 1.00 20.80 C ATOM 2459 O LEU B 38 27.543 7.638 20.927 1.00 21.34 O ATOM 2460 CB LEU B 38 24.889 6.094 20.946 1.00 18.71 C ATOM 2461 CG LEU B 38 24.104 4.779 20.814 1.00 19.59 C ATOM 2462 CD1 LEU B 38 22.886 4.936 19.857 1.00 20.31 C ATOM 2463 CD2 LEU B 38 24.990 3.626 20.374 1.00 20.67 C ATOM 0 H LEU B 38 24.737 5.734 23.395 1.00 18.10 H new ATOM 0 HA LEU B 38 26.661 5.291 21.669 1.00 19.52 H new ATOM 0 HB2 LEU B 38 24.285 6.797 21.232 1.00 18.71 H new ATOM 0 HB3 LEU B 38 25.230 6.350 20.075 1.00 18.71 H new ATOM 0 HG LEU B 38 23.767 4.566 21.698 1.00 19.59 H new ATOM 0 HD11 LEU B 38 22.412 4.092 19.795 1.00 20.31 H new ATOM 0 HD12 LEU B 38 22.288 5.617 20.203 1.00 20.31 H new ATOM 0 HD13 LEU B 38 23.198 5.197 18.976 1.00 20.31 H new ATOM 0 HD21 LEU B 38 24.458 2.818 20.303 1.00 20.67 H new ATOM 0 HD22 LEU B 38 25.383 3.831 19.511 1.00 20.67 H new ATOM 0 HD23 LEU B 38 25.695 3.492 21.026 1.00 20.67 H new ATOM 2464 N GLN B 39 26.803 8.041 23.003 1.00 22.61 N ATOM 2465 CA GLN B 39 27.629 9.215 23.143 1.00 24.64 C ATOM 2466 C GLN B 39 29.052 8.847 23.588 1.00 24.26 C ATOM 2467 O GLN B 39 29.958 9.693 23.533 1.00 25.45 O ATOM 2468 CB GLN B 39 27.001 10.136 24.164 1.00 25.09 C ATOM 2469 CG GLN B 39 26.965 11.543 23.737 1.00 33.30 C ATOM 2470 CD GLN B 39 25.683 11.874 23.030 1.00 39.61 C ATOM 2471 OE1 GLN B 39 25.054 10.990 22.463 1.00 45.35 O ATOM 2472 NE2 GLN B 39 25.274 13.143 23.066 1.00 38.98 N ATOM 0 H GLN B 39 26.292 7.874 23.674 1.00 22.61 H new ATOM 0 HA GLN B 39 27.690 9.656 22.281 1.00 24.64 H new ATOM 0 HB2 GLN B 39 26.096 9.837 24.346 1.00 25.09 H new ATOM 0 HB3 GLN B 39 27.495 10.070 24.996 1.00 25.09 H new ATOM 0 HG2 GLN B 39 27.067 12.119 24.511 1.00 33.30 H new ATOM 0 HG3 GLN B 39 27.715 11.723 23.149 1.00 33.30 H new ATOM 0 HE21 GLN B 39 25.745 13.735 23.475 1.00 38.98 H new ATOM 0 HE22 GLN B 39 24.539 13.369 22.680 1.00 38.98 H new ATOM 2473 N ASP B 40 29.248 7.611 24.057 1.00 24.45 N ATOM 2474 CA ASP B 40 30.586 7.127 24.426 1.00 24.97 C ATOM 2475 C ASP B 40 31.398 6.957 23.143 1.00 24.52 C ATOM 2476 O ASP B 40 32.621 6.974 23.158 1.00 25.57 O ATOM 2477 CB ASP B 40 30.498 5.765 25.137 1.00 25.16 C ATOM 2478 CG ASP B 40 31.862 5.267 25.673 1.00 29.18 C ATOM 2479 OD1 ASP B 40 32.576 6.067 26.327 1.00 28.18 O ATOM 2480 OD2 ASP B 40 32.206 4.053 25.449 1.00 30.43 O ATOM 0 H ASP B 40 28.619 7.035 24.170 1.00 24.45 H new ATOM 0 HA ASP B 40 31.003 7.764 25.027 1.00 24.97 H new ATOM 0 HB2 ASP B 40 29.872 5.832 25.875 1.00 25.16 H new ATOM 0 HB3 ASP B 40 30.140 5.107 24.520 1.00 25.16 H new ATOM 2481 N GLY B 41 30.720 6.733 22.026 1.00 23.13 N ATOM 2482 CA GLY B 41 31.417 6.320 20.811 1.00 20.47 C ATOM 2483 C GLY B 41 30.543 5.358 20.048 1.00 20.01 C ATOM 2484 O GLY B 41 29.579 4.780 20.600 1.00 20.20 O ATOM 0 H GLY B 41 29.867 6.812 21.948 1.00 23.13 H new ATOM 0 HA2 GLY B 41 31.622 7.094 20.263 1.00 20.47 H new ATOM 0 HA3 GLY B 41 32.262 5.899 21.036 1.00 20.47 H new ATOM 2485 N PHE B 42 30.827 5.214 18.760 1.00 18.60 N ATOM 2486 CA PHE B 42 30.013 4.328 17.940 1.00 16.66 C ATOM 2487 C PHE B 42 30.384 2.845 18.227 1.00 16.52 C ATOM 2488 O PHE B 42 31.561 2.480 18.135 1.00 17.74 O ATOM 2489 CB PHE B 42 30.168 4.677 16.462 1.00 17.01 C ATOM 2490 CG PHE B 42 29.279 3.852 15.601 1.00 17.10 C ATOM 2491 CD1 PHE B 42 27.962 4.237 15.425 1.00 18.27 C ATOM 2492 CD2 PHE B 42 29.716 2.647 15.051 1.00 19.89 C ATOM 2493 CE1 PHE B 42 27.081 3.449 14.622 1.00 18.99 C ATOM 2494 CE2 PHE B 42 28.843 1.859 14.263 1.00 18.27 C ATOM 2495 CZ PHE B 42 27.538 2.263 14.076 1.00 19.08 C ATOM 0 H PHE B 42 31.471 5.610 18.349 1.00 18.60 H new ATOM 0 HA PHE B 42 29.078 4.449 18.169 1.00 16.66 H new ATOM 0 HB2 PHE B 42 29.966 5.616 16.329 1.00 17.01 H new ATOM 0 HB3 PHE B 42 31.091 4.545 16.194 1.00 17.01 H new ATOM 0 HD1 PHE B 42 27.648 5.013 15.831 1.00 18.27 H new ATOM 0 HD2 PHE B 42 30.587 2.359 15.203 1.00 19.89 H new ATOM 0 HE1 PHE B 42 26.208 3.731 14.468 1.00 18.99 H new ATOM 0 HE2 PHE B 42 29.148 1.072 13.873 1.00 18.27 H new ATOM 0 HZ PHE B 42 26.959 1.733 13.578 1.00 19.08 H new ATOM 2496 N PRO B 43 29.404 1.995 18.616 1.00 16.48 N ATOM 2497 CA PRO B 43 29.736 0.640 19.083 1.00 16.88 C ATOM 2498 C PRO B 43 30.051 -0.385 18.008 1.00 17.10 C ATOM 2499 O PRO B 43 29.253 -1.346 17.777 1.00 16.98 O ATOM 2500 CB PRO B 43 28.497 0.244 19.892 1.00 15.80 C ATOM 2501 CG PRO B 43 27.369 0.918 19.122 1.00 17.32 C ATOM 2502 CD PRO B 43 27.956 2.274 18.744 1.00 16.13 C ATOM 0 HA PRO B 43 30.567 0.653 19.583 1.00 16.88 H new ATOM 0 HB2 PRO B 43 28.383 -0.719 19.930 1.00 15.80 H new ATOM 0 HB3 PRO B 43 28.548 0.560 20.808 1.00 15.80 H new ATOM 0 HG2 PRO B 43 27.117 0.407 18.337 1.00 17.32 H new ATOM 0 HG3 PRO B 43 26.572 1.013 19.667 1.00 17.32 H new ATOM 0 HD2 PRO B 43 27.581 2.607 17.914 1.00 16.13 H new ATOM 0 HD3 PRO B 43 27.779 2.943 19.424 1.00 16.13 H new ATOM 2503 N LEU B 44 31.215 -0.209 17.388 1.00 17.93 N ATOM 2504 CA LEU B 44 31.730 -1.137 16.388 1.00 18.53 C ATOM 2505 C LEU B 44 32.865 -1.904 17.041 1.00 19.59 C ATOM 2506 O LEU B 44 33.872 -1.306 17.499 1.00 19.60 O ATOM 2507 CB LEU B 44 32.221 -0.404 15.140 1.00 18.28 C ATOM 2508 CG LEU B 44 32.634 -1.229 13.914 1.00 19.61 C ATOM 2509 CD1 LEU B 44 31.487 -2.082 13.422 1.00 19.95 C ATOM 2510 CD2 LEU B 44 33.170 -0.302 12.780 1.00 18.86 C ATOM 0 H LEU B 44 31.733 0.461 17.539 1.00 17.93 H new ATOM 0 HA LEU B 44 31.027 -1.737 16.094 1.00 18.53 H new ATOM 0 HB2 LEU B 44 31.519 0.205 14.862 1.00 18.28 H new ATOM 0 HB3 LEU B 44 32.982 0.139 15.399 1.00 18.28 H new ATOM 0 HG LEU B 44 33.352 -1.825 14.180 1.00 19.61 H new ATOM 0 HD11 LEU B 44 31.772 -2.593 12.648 1.00 19.95 H new ATOM 0 HD12 LEU B 44 31.210 -2.689 14.126 1.00 19.95 H new ATOM 0 HD13 LEU B 44 30.742 -1.512 13.176 1.00 19.95 H new ATOM 0 HD21 LEU B 44 33.426 -0.841 12.015 1.00 18.86 H new ATOM 0 HD22 LEU B 44 32.476 0.323 12.518 1.00 18.86 H new ATOM 0 HD23 LEU B 44 33.942 0.189 13.101 1.00 18.86 H new ATOM 2511 N VAL B 45 32.705 -3.227 17.101 1.00 19.07 N ATOM 2512 CA VAL B 45 33.692 -4.096 17.749 1.00 18.87 C ATOM 2513 C VAL B 45 35.114 -3.708 17.340 1.00 19.06 C ATOM 2514 O VAL B 45 35.400 -3.534 16.171 1.00 19.38 O ATOM 2515 CB VAL B 45 33.351 -5.624 17.514 1.00 17.40 C ATOM 2516 CG1 VAL B 45 34.559 -6.589 17.753 1.00 18.21 C ATOM 2517 CG2 VAL B 45 32.155 -6.008 18.390 1.00 15.73 C ATOM 0 H VAL B 45 32.029 -3.643 16.771 1.00 19.07 H new ATOM 0 HA VAL B 45 33.646 -3.963 18.709 1.00 18.87 H new ATOM 0 HB VAL B 45 33.129 -5.729 16.576 1.00 17.40 H new ATOM 0 HG11 VAL B 45 34.279 -7.504 17.592 1.00 18.21 H new ATOM 0 HG12 VAL B 45 35.281 -6.360 17.147 1.00 18.21 H new ATOM 0 HG13 VAL B 45 34.867 -6.502 18.669 1.00 18.21 H new ATOM 0 HG21 VAL B 45 31.940 -6.944 18.252 1.00 15.73 H new ATOM 0 HG22 VAL B 45 32.377 -5.862 19.323 1.00 15.73 H new ATOM 0 HG23 VAL B 45 31.390 -5.462 18.151 1.00 15.73 H new ATOM 2518 N THR B 46 35.971 -3.501 18.333 1.00 18.58 N ATOM 2519 CA THR B 46 37.393 -3.248 18.098 1.00 18.63 C ATOM 2520 C THR B 46 38.310 -4.467 18.304 1.00 19.40 C ATOM 2521 O THR B 46 39.478 -4.434 17.886 1.00 19.46 O ATOM 2522 CB THR B 46 37.938 -2.141 19.053 1.00 18.58 C ATOM 2523 OG1 THR B 46 37.972 -2.648 20.398 1.00 18.69 O ATOM 2524 CG2 THR B 46 37.071 -0.900 18.982 1.00 17.25 C ATOM 0 H THR B 46 35.747 -3.503 19.163 1.00 18.58 H new ATOM 0 HA THR B 46 37.421 -2.985 17.165 1.00 18.63 H new ATOM 0 HB THR B 46 38.835 -1.898 18.777 1.00 18.58 H new ATOM 0 HG1 THR B 46 37.196 -2.864 20.636 1.00 18.69 H new ATOM 0 HG21 THR B 46 37.424 -0.224 19.581 1.00 17.25 H new ATOM 0 HG22 THR B 46 37.069 -0.558 18.074 1.00 17.25 H new ATOM 0 HG23 THR B 46 36.164 -1.123 19.245 1.00 17.25 H new ATOM 2525 N THR B 47 37.837 -5.521 18.958 1.00 18.53 N ATOM 2526 CA THR B 47 38.740 -6.649 19.222 1.00 19.63 C ATOM 2527 C THR B 47 38.899 -7.577 18.013 1.00 20.24 C ATOM 2528 O THR B 47 39.617 -8.571 18.062 1.00 21.92 O ATOM 2529 CB THR B 47 38.381 -7.460 20.494 1.00 19.03 C ATOM 2530 OG1 THR B 47 36.974 -7.761 20.503 1.00 19.28 O ATOM 2531 CG2 THR B 47 38.740 -6.679 21.730 1.00 18.91 C ATOM 0 H THR B 47 37.032 -5.609 19.249 1.00 18.53 H new ATOM 0 HA THR B 47 39.599 -6.232 19.394 1.00 19.63 H new ATOM 0 HB THR B 47 38.886 -8.288 20.487 1.00 19.03 H new ATOM 0 HG1 THR B 47 36.537 -7.055 20.633 1.00 19.28 H new ATOM 0 HG21 THR B 47 38.511 -7.196 22.518 1.00 18.91 H new ATOM 0 HG22 THR B 47 39.692 -6.494 21.731 1.00 18.91 H new ATOM 0 HG23 THR B 47 38.249 -5.843 21.739 1.00 18.91 H new ATOM 2532 N LYS B 48 38.222 -7.235 16.932 1.00 20.51 N ATOM 2533 CA LYS B 48 38.566 -7.746 15.608 1.00 20.97 C ATOM 2534 C LYS B 48 38.080 -6.650 14.672 1.00 21.21 C ATOM 2535 O LYS B 48 37.098 -5.975 14.968 1.00 21.68 O ATOM 2536 CB LYS B 48 37.863 -9.086 15.299 1.00 21.03 C ATOM 2537 CG LYS B 48 36.396 -8.925 14.924 1.00 23.33 C ATOM 2538 CD LYS B 48 35.718 -10.253 14.607 1.00 20.25 C ATOM 2539 CE LYS B 48 34.280 -9.950 14.102 1.00 21.91 C ATOM 2540 NZ LYS B 48 33.445 -11.165 14.075 1.00 21.41 N ATOM 0 H LYS B 48 37.549 -6.700 16.940 1.00 20.51 H new ATOM 0 HA LYS B 48 39.513 -7.936 15.522 1.00 20.97 H new ATOM 0 HB2 LYS B 48 38.329 -9.528 14.573 1.00 21.03 H new ATOM 0 HB3 LYS B 48 37.930 -9.665 16.074 1.00 21.03 H new ATOM 0 HG2 LYS B 48 35.926 -8.493 15.654 1.00 23.33 H new ATOM 0 HG3 LYS B 48 36.326 -8.339 14.154 1.00 23.33 H new ATOM 0 HD2 LYS B 48 36.219 -10.737 13.932 1.00 20.25 H new ATOM 0 HD3 LYS B 48 35.689 -10.816 15.397 1.00 20.25 H new ATOM 0 HE2 LYS B 48 33.868 -9.286 14.677 1.00 21.91 H new ATOM 0 HE3 LYS B 48 34.323 -9.567 13.212 1.00 21.91 H new ATOM 0 HZ1 LYS B 48 32.639 -10.965 13.755 1.00 21.41 H new ATOM 0 HZ2 LYS B 48 33.827 -11.777 13.554 1.00 21.41 H new ATOM 0 HZ3 LYS B 48 33.364 -11.488 14.900 1.00 21.41 H new ATOM 2541 N ARG B 49 38.762 -6.469 13.549 1.00 21.99 N ATOM 2542 CA ARG B 49 38.355 -5.458 12.580 1.00 23.42 C ATOM 2543 C ARG B 49 37.037 -5.863 11.947 1.00 23.35 C ATOM 2544 O ARG B 49 36.881 -6.985 11.405 1.00 23.11 O ATOM 2545 CB ARG B 49 39.477 -5.224 11.529 1.00 23.64 C ATOM 2546 CG ARG B 49 39.153 -4.247 10.380 1.00 24.68 C ATOM 2547 CD ARG B 49 40.483 -3.679 9.735 1.00 23.84 C ATOM 2548 NE ARG B 49 40.564 -2.224 9.950 1.00 32.92 N ATOM 2549 CZ ARG B 49 41.579 -1.597 10.531 1.00 31.55 C ATOM 2550 NH1 ARG B 49 41.537 -0.297 10.680 1.00 38.64 N ATOM 2551 NH2 ARG B 49 42.650 -2.251 10.929 1.00 34.08 N ATOM 0 H ARG B 49 39.461 -6.919 13.328 1.00 21.99 H new ATOM 0 HA ARG B 49 38.217 -4.609 13.029 1.00 23.42 H new ATOM 0 HB2 ARG B 49 40.264 -4.897 11.993 1.00 23.64 H new ATOM 0 HB3 ARG B 49 39.713 -6.081 11.141 1.00 23.64 H new ATOM 0 HG2 ARG B 49 38.628 -4.701 9.702 1.00 24.68 H new ATOM 0 HG3 ARG B 49 38.612 -3.515 10.715 1.00 24.68 H new ATOM 0 HD2 ARG B 49 41.255 -4.115 10.129 1.00 23.84 H new ATOM 0 HD3 ARG B 49 40.500 -3.875 8.785 1.00 23.84 H new ATOM 0 HE ARG B 49 39.904 -1.745 9.678 1.00 32.92 H new ATOM 0 HH11 ARG B 49 40.854 0.146 10.402 1.00 38.64 H new ATOM 0 HH12 ARG B 49 42.192 0.114 11.056 1.00 38.64 H new ATOM 0 HH21 ARG B 49 42.702 -3.102 10.814 1.00 34.08 H new ATOM 0 HH22 ARG B 49 43.298 -1.827 11.304 1.00 34.08 H new ATOM 2552 N CYS B 50 36.071 -4.948 12.063 1.00 23.15 N ATOM 2553 CA CYS B 50 34.773 -5.072 11.418 1.00 24.35 C ATOM 2554 C CYS B 50 34.622 -3.998 10.356 1.00 24.53 C ATOM 2555 O CYS B 50 35.314 -2.965 10.365 1.00 25.56 O ATOM 2556 CB CYS B 50 33.632 -4.930 12.445 1.00 24.04 C ATOM 2557 SG CYS B 50 33.727 -6.170 13.779 1.00 27.07 S ATOM 0 H CYS B 50 36.158 -4.229 12.527 1.00 23.15 H new ATOM 0 HA CYS B 50 34.721 -5.951 11.011 1.00 24.35 H new ATOM 0 HB2 CYS B 50 33.659 -4.041 12.832 1.00 24.04 H new ATOM 0 HB3 CYS B 50 32.780 -5.015 11.990 1.00 24.04 H new ATOM 0 HG CYS B 50 34.829 -6.164 14.254 1.00 27.07 H new ATOM 2558 N HIS B 51 33.696 -4.222 9.450 1.00 25.09 N ATOM 2559 CA HIS B 51 33.519 -3.294 8.351 1.00 26.38 C ATOM 2560 C HIS B 51 32.079 -2.804 8.284 1.00 25.68 C ATOM 2561 O HIS B 51 31.158 -3.606 8.288 1.00 26.09 O ATOM 2562 CB HIS B 51 33.955 -3.999 7.074 1.00 26.28 C ATOM 2563 CG HIS B 51 35.394 -4.407 7.108 1.00 31.31 C ATOM 2564 ND1 HIS B 51 36.422 -3.513 6.893 1.00 34.78 N ATOM 2565 CD2 HIS B 51 35.980 -5.593 7.397 1.00 33.10 C ATOM 2566 CE1 HIS B 51 37.578 -4.139 7.015 1.00 34.97 C ATOM 2567 NE2 HIS B 51 37.340 -5.404 7.312 1.00 35.06 N ATOM 0 H HIS B 51 33.163 -4.897 9.449 1.00 25.09 H new ATOM 0 HA HIS B 51 34.064 -2.501 8.477 1.00 26.38 H new ATOM 0 HB2 HIS B 51 33.402 -4.784 6.937 1.00 26.28 H new ATOM 0 HB3 HIS B 51 33.806 -3.411 6.317 1.00 26.28 H new ATOM 0 HD2 HIS B 51 35.545 -6.386 7.612 1.00 33.10 H new ATOM 0 HE1 HIS B 51 38.418 -3.754 6.910 1.00 34.97 H new ATOM 0 HE2 HIS B 51 37.938 -6.010 7.433 1.00 35.06 H new ATOM 2568 N LEU B 52 31.890 -1.495 8.237 1.00 25.37 N ATOM 2569 CA LEU B 52 30.550 -0.924 8.292 1.00 25.57 C ATOM 2570 C LEU B 52 29.837 -0.968 6.929 1.00 24.61 C ATOM 2571 O LEU B 52 28.626 -0.821 6.832 1.00 22.80 O ATOM 2572 CB LEU B 52 30.660 0.515 8.819 1.00 26.37 C ATOM 2573 CG LEU B 52 29.632 1.189 9.739 1.00 28.75 C ATOM 2574 CD1 LEU B 52 29.224 0.308 10.927 1.00 29.77 C ATOM 2575 CD2 LEU B 52 30.155 2.565 10.228 1.00 27.17 C ATOM 0 H LEU B 52 32.524 -0.917 8.173 1.00 25.37 H new ATOM 0 HA LEU B 52 30.005 -1.457 8.892 1.00 25.57 H new ATOM 0 HB2 LEU B 52 31.510 0.566 9.284 1.00 26.37 H new ATOM 0 HB3 LEU B 52 30.731 1.083 8.036 1.00 26.37 H new ATOM 0 HG LEU B 52 28.831 1.325 9.209 1.00 28.75 H new ATOM 0 HD11 LEU B 52 28.576 0.780 11.473 1.00 29.77 H new ATOM 0 HD12 LEU B 52 28.831 -0.516 10.599 1.00 29.77 H new ATOM 0 HD13 LEU B 52 30.007 0.102 11.461 1.00 29.77 H new ATOM 0 HD21 LEU B 52 29.494 2.976 10.807 1.00 27.17 H new ATOM 0 HD22 LEU B 52 30.982 2.441 10.719 1.00 27.17 H new ATOM 0 HD23 LEU B 52 30.317 3.140 9.464 1.00 27.17 H new ATOM 2576 N ARG B 53 30.603 -1.163 5.862 1.00 24.32 N ATOM 2577 CA ARG B 53 30.058 -1.011 4.507 1.00 24.63 C ATOM 2578 C ARG B 53 28.766 -1.822 4.253 1.00 24.21 C ATOM 2579 O ARG B 53 27.729 -1.250 3.852 1.00 24.26 O ATOM 2580 CB ARG B 53 31.144 -1.294 3.466 1.00 24.38 C ATOM 2581 CG ARG B 53 30.791 -0.865 2.040 1.00 27.36 C ATOM 2582 CD ARG B 53 31.838 -1.388 1.045 1.00 26.35 C ATOM 2583 NE ARG B 53 31.717 -2.836 0.940 1.00 29.34 N ATOM 2584 CZ ARG B 53 30.854 -3.435 0.128 1.00 33.26 C ATOM 2585 NH1 ARG B 53 30.768 -4.750 0.093 1.00 33.38 N ATOM 2586 NH2 ARG B 53 30.065 -2.705 -0.645 1.00 33.80 N ATOM 0 H ARG B 53 31.434 -1.382 5.894 1.00 24.32 H new ATOM 0 HA ARG B 53 29.779 -0.086 4.418 1.00 24.63 H new ATOM 0 HB2 ARG B 53 31.958 -0.841 3.735 1.00 24.38 H new ATOM 0 HB3 ARG B 53 31.335 -2.245 3.467 1.00 24.38 H new ATOM 0 HG2 ARG B 53 29.914 -1.204 1.802 1.00 27.36 H new ATOM 0 HG3 ARG B 53 30.744 0.103 1.990 1.00 27.36 H new ATOM 0 HD2 ARG B 53 31.707 -0.978 0.176 1.00 26.35 H new ATOM 0 HD3 ARG B 53 32.730 -1.148 1.341 1.00 26.35 H new ATOM 0 HE ARG B 53 32.229 -3.326 1.427 1.00 29.34 H new ATOM 0 HH11 ARG B 53 31.273 -5.228 0.599 1.00 33.38 H new ATOM 0 HH12 ARG B 53 30.206 -5.130 -0.436 1.00 33.38 H new ATOM 0 HH21 ARG B 53 30.113 -1.847 -0.620 1.00 33.80 H new ATOM 0 HH22 ARG B 53 29.505 -3.089 -1.172 1.00 33.80 H new ATOM 2587 N SER B 54 28.790 -3.133 4.516 1.00 23.68 N ATOM 2588 CA SER B 54 27.605 -3.967 4.325 1.00 23.36 C ATOM 2589 C SER B 54 26.498 -3.621 5.312 1.00 23.27 C ATOM 2590 O SER B 54 25.316 -3.667 4.970 1.00 22.92 O ATOM 2591 CB SER B 54 27.957 -5.457 4.415 1.00 23.99 C ATOM 2592 OG SER B 54 28.907 -5.760 3.385 1.00 26.43 O ATOM 0 H SER B 54 29.482 -3.555 4.805 1.00 23.68 H new ATOM 0 HA SER B 54 27.271 -3.782 3.433 1.00 23.36 H new ATOM 0 HB2 SER B 54 28.327 -5.664 5.287 1.00 23.99 H new ATOM 0 HB3 SER B 54 27.160 -5.999 4.309 1.00 23.99 H new ATOM 0 HG SER B 54 29.679 -5.556 3.647 1.00 26.43 H new ATOM 2593 N ILE B 55 26.882 -3.263 6.533 1.00 22.26 N ATOM 2594 CA ILE B 55 25.899 -2.898 7.548 1.00 22.03 C ATOM 2595 C ILE B 55 25.052 -1.717 7.047 1.00 21.17 C ATOM 2596 O ILE B 55 23.806 -1.737 7.075 1.00 21.09 O ATOM 2597 CB ILE B 55 26.612 -2.530 8.879 1.00 21.79 C ATOM 2598 CG1 ILE B 55 27.565 -3.684 9.278 1.00 22.91 C ATOM 2599 CG2 ILE B 55 25.548 -2.117 9.966 1.00 23.29 C ATOM 2600 CD1 ILE B 55 28.385 -3.491 10.591 1.00 23.63 C ATOM 0 H ILE B 55 27.701 -3.225 6.793 1.00 22.26 H new ATOM 0 HA ILE B 55 25.316 -3.655 7.713 1.00 22.03 H new ATOM 0 HB ILE B 55 27.176 -1.747 8.780 1.00 21.79 H new ATOM 0 HG12 ILE B 55 27.039 -4.495 9.365 1.00 22.91 H new ATOM 0 HG13 ILE B 55 28.189 -3.828 8.549 1.00 22.91 H new ATOM 0 HG21 ILE B 55 26.001 -1.889 10.793 1.00 23.29 H new ATOM 0 HG22 ILE B 55 25.045 -1.350 9.651 1.00 23.29 H new ATOM 0 HG23 ILE B 55 24.942 -2.858 10.124 1.00 23.29 H new ATOM 0 HD11 ILE B 55 28.944 -4.270 10.741 1.00 23.63 H new ATOM 0 HD12 ILE B 55 28.945 -2.703 10.510 1.00 23.63 H new ATOM 0 HD13 ILE B 55 27.777 -3.380 11.339 1.00 23.63 H new ATOM 2601 N ILE B 56 25.730 -0.683 6.576 1.00 21.03 N ATOM 2602 CA ILE B 56 25.040 0.526 6.163 1.00 20.65 C ATOM 2603 C ILE B 56 24.095 0.201 5.022 1.00 21.20 C ATOM 2604 O ILE B 56 22.908 0.598 5.035 1.00 21.04 O ATOM 2605 CB ILE B 56 26.037 1.617 5.723 1.00 21.78 C ATOM 2606 CG1 ILE B 56 26.858 2.107 6.930 1.00 19.93 C ATOM 2607 CG2 ILE B 56 25.275 2.759 5.042 1.00 20.08 C ATOM 2608 CD1 ILE B 56 28.095 2.880 6.515 1.00 18.31 C ATOM 0 H ILE B 56 26.585 -0.660 6.488 1.00 21.03 H new ATOM 0 HA ILE B 56 24.539 0.867 6.920 1.00 20.65 H new ATOM 0 HB ILE B 56 26.665 1.251 5.081 1.00 21.78 H new ATOM 0 HG12 ILE B 56 26.301 2.670 7.489 1.00 19.93 H new ATOM 0 HG13 ILE B 56 27.122 1.345 7.469 1.00 19.93 H new ATOM 0 HG21 ILE B 56 25.901 3.446 4.765 1.00 20.08 H new ATOM 0 HG22 ILE B 56 24.806 2.417 4.265 1.00 20.08 H new ATOM 0 HG23 ILE B 56 24.635 3.138 5.665 1.00 20.08 H new ATOM 0 HD11 ILE B 56 28.578 3.167 7.306 1.00 18.31 H new ATOM 0 HD12 ILE B 56 28.667 2.311 5.976 1.00 18.31 H new ATOM 0 HD13 ILE B 56 27.833 3.657 5.997 1.00 18.31 H new ATOM 2609 N HIS B 57 24.601 -0.517 4.019 1.00 20.82 N ATOM 2610 CA HIS B 57 23.743 -0.858 2.868 1.00 21.71 C ATOM 2611 C HIS B 57 22.544 -1.684 3.290 1.00 20.68 C ATOM 2612 O HIS B 57 21.450 -1.441 2.813 1.00 20.04 O ATOM 2613 CB HIS B 57 24.523 -1.576 1.758 1.00 22.60 C ATOM 2614 CG HIS B 57 25.350 -0.649 0.918 1.00 23.07 C ATOM 2615 ND1 HIS B 57 24.810 0.422 0.243 1.00 24.84 N ATOM 2616 CD2 HIS B 57 26.677 -0.635 0.647 1.00 26.43 C ATOM 2617 CE1 HIS B 57 25.772 1.067 -0.399 1.00 24.23 C ATOM 2618 NE2 HIS B 57 26.912 0.443 -0.173 1.00 24.57 N ATOM 0 H HIS B 57 25.408 -0.810 3.979 1.00 20.82 H new ATOM 0 HA HIS B 57 23.422 -0.017 2.507 1.00 21.71 H new ATOM 0 HB2 HIS B 57 25.102 -2.243 2.158 1.00 22.60 H new ATOM 0 HB3 HIS B 57 23.898 -2.049 1.187 1.00 22.60 H new ATOM 0 HD2 HIS B 57 27.310 -1.241 0.957 1.00 26.43 H new ATOM 0 HE1 HIS B 57 25.663 1.829 -0.920 1.00 24.23 H new ATOM 0 HE2 HIS B 57 27.678 0.673 -0.488 1.00 24.57 H new ATOM 2619 N GLU B 58 22.757 -2.661 4.177 1.00 20.19 N ATOM 2620 CA GLU B 58 21.632 -3.510 4.570 1.00 19.88 C ATOM 2621 C GLU B 58 20.544 -2.658 5.256 1.00 19.45 C ATOM 2622 O GLU B 58 19.355 -2.852 5.005 1.00 20.02 O ATOM 2623 CB GLU B 58 22.071 -4.668 5.467 1.00 19.97 C ATOM 2624 CG GLU B 58 20.936 -5.649 5.761 1.00 21.00 C ATOM 2625 CD GLU B 58 21.201 -6.522 6.963 1.00 26.08 C ATOM 2626 OE1 GLU B 58 21.822 -6.044 7.946 1.00 22.66 O ATOM 2627 OE2 GLU B 58 20.773 -7.687 6.931 1.00 23.90 O ATOM 0 H GLU B 58 23.511 -2.843 4.548 1.00 20.19 H new ATOM 0 HA GLU B 58 21.262 -3.906 3.765 1.00 19.88 H new ATOM 0 HB2 GLU B 58 22.802 -5.143 5.041 1.00 19.97 H new ATOM 0 HB3 GLU B 58 22.412 -4.313 6.303 1.00 19.97 H new ATOM 0 HG2 GLU B 58 20.116 -5.152 5.904 1.00 21.00 H new ATOM 0 HG3 GLU B 58 20.794 -6.212 4.984 1.00 21.00 H new ATOM 2628 N LEU B 59 20.958 -1.731 6.119 1.00 19.21 N ATOM 2629 CA LEU B 59 20.001 -0.871 6.838 1.00 19.68 C ATOM 2630 C LEU B 59 19.216 0.025 5.872 1.00 19.22 C ATOM 2631 O LEU B 59 18.018 0.131 5.967 1.00 19.82 O ATOM 2632 CB LEU B 59 20.737 -0.024 7.860 1.00 18.73 C ATOM 2633 CG LEU B 59 19.865 0.889 8.732 1.00 22.59 C ATOM 2634 CD1 LEU B 59 18.740 0.102 9.455 1.00 21.77 C ATOM 2635 CD2 LEU B 59 20.730 1.654 9.722 1.00 18.04 C ATOM 0 H LEU B 59 21.784 -1.580 6.305 1.00 19.21 H new ATOM 0 HA LEU B 59 19.364 -1.443 7.293 1.00 19.68 H new ATOM 0 HB2 LEU B 59 21.238 -0.615 8.443 1.00 18.73 H new ATOM 0 HB3 LEU B 59 21.383 0.527 7.392 1.00 18.73 H new ATOM 0 HG LEU B 59 19.426 1.527 8.148 1.00 22.59 H new ATOM 0 HD11 LEU B 59 18.213 0.712 9.994 1.00 21.77 H new ATOM 0 HD12 LEU B 59 18.168 -0.324 8.797 1.00 21.77 H new ATOM 0 HD13 LEU B 59 19.134 -0.575 10.027 1.00 21.77 H new ATOM 0 HD21 LEU B 59 20.169 2.227 10.267 1.00 18.04 H new ATOM 0 HD22 LEU B 59 21.201 1.027 10.292 1.00 18.04 H new ATOM 0 HD23 LEU B 59 21.373 2.197 9.239 1.00 18.04 H new ATOM 2636 N LEU B 60 19.908 0.675 4.945 1.00 19.17 N ATOM 2637 CA LEU B 60 19.234 1.467 3.929 1.00 21.59 C ATOM 2638 C LEU B 60 18.252 0.614 3.142 1.00 21.34 C ATOM 2639 O LEU B 60 17.185 1.064 2.766 1.00 22.34 O ATOM 2640 CB LEU B 60 20.282 2.075 2.993 1.00 20.34 C ATOM 2641 CG LEU B 60 20.848 3.476 3.275 1.00 24.09 C ATOM 2642 CD1 LEU B 60 20.566 4.156 4.622 1.00 20.08 C ATOM 2643 CD2 LEU B 60 22.304 3.621 2.815 1.00 23.42 C ATOM 0 H LEU B 60 20.766 0.670 4.888 1.00 19.17 H new ATOM 0 HA LEU B 60 18.731 2.176 4.360 1.00 21.59 H new ATOM 0 HB2 LEU B 60 21.033 1.462 2.964 1.00 20.34 H new ATOM 0 HB3 LEU B 60 19.897 2.094 2.103 1.00 20.34 H new ATOM 0 HG LEU B 60 20.275 4.015 2.707 1.00 24.09 H new ATOM 0 HD11 LEU B 60 20.991 5.028 4.640 1.00 20.08 H new ATOM 0 HD12 LEU B 60 19.609 4.261 4.738 1.00 20.08 H new ATOM 0 HD13 LEU B 60 20.920 3.610 5.341 1.00 20.08 H new ATOM 0 HD21 LEU B 60 22.618 4.517 3.012 1.00 23.42 H new ATOM 0 HD22 LEU B 60 22.857 2.975 3.282 1.00 23.42 H new ATOM 0 HD23 LEU B 60 22.359 3.462 1.860 1.00 23.42 H new ATOM 2644 N TRP B 61 18.624 -0.623 2.893 1.00 21.82 N ATOM 2645 CA TRP B 61 17.752 -1.552 2.167 1.00 22.66 C ATOM 2646 C TRP B 61 16.483 -1.886 2.969 1.00 23.03 C ATOM 2647 O TRP B 61 15.352 -1.799 2.443 1.00 22.29 O ATOM 2648 CB TRP B 61 18.585 -2.784 1.832 1.00 23.26 C ATOM 2649 CG TRP B 61 17.912 -3.979 1.231 1.00 22.20 C ATOM 2650 CD1 TRP B 61 17.415 -4.111 -0.038 1.00 22.51 C ATOM 2651 CD2 TRP B 61 17.792 -5.253 1.852 1.00 22.14 C ATOM 2652 NE1 TRP B 61 16.954 -5.396 -0.222 1.00 21.13 N ATOM 2653 CE2 TRP B 61 17.181 -6.120 0.919 1.00 23.48 C ATOM 2654 CE3 TRP B 61 18.126 -5.741 3.125 1.00 20.56 C ATOM 2655 CZ2 TRP B 61 16.887 -7.460 1.218 1.00 24.34 C ATOM 2656 CZ3 TRP B 61 17.836 -7.084 3.426 1.00 21.76 C ATOM 2657 CH2 TRP B 61 17.218 -7.919 2.466 1.00 24.14 C ATOM 0 H TRP B 61 19.380 -0.956 3.133 1.00 21.82 H new ATOM 0 HA TRP B 61 17.427 -1.149 1.347 1.00 22.66 H new ATOM 0 HB2 TRP B 61 19.286 -2.506 1.222 1.00 23.26 H new ATOM 0 HB3 TRP B 61 19.020 -3.074 2.649 1.00 23.26 H new ATOM 0 HD1 TRP B 61 17.392 -3.436 -0.678 1.00 22.51 H new ATOM 0 HE1 TRP B 61 16.583 -5.696 -0.938 1.00 21.13 H new ATOM 0 HE3 TRP B 61 18.530 -5.189 3.755 1.00 20.56 H new ATOM 0 HZ2 TRP B 61 16.482 -8.016 0.592 1.00 24.34 H new ATOM 0 HZ3 TRP B 61 18.052 -7.426 4.263 1.00 21.76 H new ATOM 0 HH2 TRP B 61 17.031 -8.803 2.688 1.00 24.14 H new ATOM 2658 N PHE B 62 16.670 -2.212 4.244 1.00 22.09 N ATOM 2659 CA PHE B 62 15.548 -2.420 5.168 1.00 22.12 C ATOM 2660 C PHE B 62 14.601 -1.250 5.104 1.00 22.13 C ATOM 2661 O PHE B 62 13.396 -1.429 4.996 1.00 22.64 O ATOM 2662 CB PHE B 62 16.003 -2.498 6.632 1.00 21.19 C ATOM 2663 CG PHE B 62 16.751 -3.773 7.027 1.00 21.88 C ATOM 2664 CD1 PHE B 62 16.528 -4.997 6.389 1.00 21.22 C ATOM 2665 CD2 PHE B 62 17.610 -3.735 8.111 1.00 22.58 C ATOM 2666 CE1 PHE B 62 17.206 -6.154 6.807 1.00 23.00 C ATOM 2667 CE2 PHE B 62 18.297 -4.882 8.536 1.00 23.92 C ATOM 2668 CZ PHE B 62 18.096 -6.076 7.890 1.00 22.50 C ATOM 0 H PHE B 62 17.445 -2.319 4.601 1.00 22.09 H new ATOM 0 HA PHE B 62 15.133 -3.254 4.897 1.00 22.12 H new ATOM 0 HB2 PHE B 62 16.575 -1.737 6.817 1.00 21.19 H new ATOM 0 HB3 PHE B 62 15.222 -2.411 7.201 1.00 21.19 H new ATOM 0 HD1 PHE B 62 15.926 -5.046 5.682 1.00 21.22 H new ATOM 0 HD2 PHE B 62 17.734 -2.934 8.567 1.00 22.58 H new ATOM 0 HE1 PHE B 62 17.067 -6.963 6.371 1.00 23.00 H new ATOM 0 HE2 PHE B 62 18.887 -4.833 9.253 1.00 23.92 H new ATOM 0 HZ PHE B 62 18.551 -6.837 8.171 1.00 22.50 H new ATOM 2669 N LEU B 63 15.149 -0.042 5.192 1.00 21.18 N ATOM 2670 CA LEU B 63 14.344 1.158 5.319 1.00 20.98 C ATOM 2671 C LEU B 63 13.509 1.454 4.085 1.00 22.76 C ATOM 2672 O LEU B 63 12.453 2.085 4.186 1.00 22.28 O ATOM 2673 CB LEU B 63 15.239 2.337 5.686 1.00 20.34 C ATOM 2674 CG LEU B 63 15.702 2.373 7.145 1.00 18.97 C ATOM 2675 CD1 LEU B 63 16.699 3.486 7.272 1.00 22.71 C ATOM 2676 CD2 LEU B 63 14.522 2.631 8.058 1.00 20.41 C ATOM 0 H LEU B 63 15.997 0.101 5.179 1.00 21.18 H new ATOM 0 HA LEU B 63 13.704 1.006 6.032 1.00 20.98 H new ATOM 0 HB2 LEU B 63 16.022 2.321 5.113 1.00 20.34 H new ATOM 0 HB3 LEU B 63 14.762 3.159 5.492 1.00 20.34 H new ATOM 0 HG LEU B 63 16.100 1.525 7.398 1.00 18.97 H new ATOM 0 HD11 LEU B 63 17.013 3.536 8.188 1.00 22.71 H new ATOM 0 HD12 LEU B 63 17.450 3.317 6.682 1.00 22.71 H new ATOM 0 HD13 LEU B 63 16.279 4.326 7.028 1.00 22.71 H new ATOM 0 HD21 LEU B 63 14.824 2.652 8.979 1.00 20.41 H new ATOM 0 HD22 LEU B 63 14.117 3.483 7.831 1.00 20.41 H new ATOM 0 HD23 LEU B 63 13.867 1.923 7.949 1.00 20.41 H new ATOM 2677 N GLN B 64 13.985 0.996 2.931 1.00 23.18 N ATOM 2678 CA GLN B 64 13.210 1.126 1.666 1.00 25.04 C ATOM 2679 C GLN B 64 12.058 0.092 1.551 1.00 25.14 C ATOM 2680 O GLN B 64 11.201 0.225 0.689 1.00 25.37 O ATOM 2681 CB GLN B 64 14.140 1.067 0.430 1.00 24.56 C ATOM 2682 CG GLN B 64 15.072 2.279 0.303 1.00 28.12 C ATOM 2683 CD GLN B 64 14.318 3.623 0.236 1.00 33.33 C ATOM 2684 OE1 GLN B 64 14.623 4.581 0.976 1.00 34.41 O ATOM 2685 NE2 GLN B 64 13.307 3.679 -0.625 1.00 33.86 N ATOM 0 H GLN B 64 14.747 0.607 2.844 1.00 23.18 H new ATOM 0 HA GLN B 64 12.791 2.001 1.692 1.00 25.04 H new ATOM 0 HB2 GLN B 64 14.676 0.260 0.476 1.00 24.56 H new ATOM 0 HB3 GLN B 64 13.597 1.001 -0.371 1.00 24.56 H new ATOM 0 HG2 GLN B 64 15.679 2.293 1.059 1.00 28.12 H new ATOM 0 HG3 GLN B 64 15.615 2.180 -0.495 1.00 28.12 H new ATOM 0 HE21 GLN B 64 13.125 2.999 -1.120 1.00 33.86 H new ATOM 0 HE22 GLN B 64 12.835 4.395 -0.688 1.00 33.86 H new ATOM 2686 N GLY B 65 12.020 -0.887 2.458 1.00 25.12 N ATOM 2687 CA GLY B 65 10.942 -1.883 2.480 1.00 26.89 C ATOM 2688 C GLY B 65 11.154 -3.003 1.490 1.00 27.06 C ATOM 2689 O GLY B 65 10.264 -3.816 1.258 1.00 26.57 O ATOM 0 H GLY B 65 12.612 -0.993 3.073 1.00 25.12 H new ATOM 0 HA2 GLY B 65 10.871 -2.256 3.373 1.00 26.89 H new ATOM 0 HA3 GLY B 65 10.099 -1.444 2.288 1.00 26.89 H new ATOM 2690 N ASP B 66 12.378 -3.029 0.951 1.00 28.13 N ATOM 2691 CA ASP B 66 12.863 -3.947 -0.072 1.00 28.97 C ATOM 2692 C ASP B 66 13.179 -5.270 0.576 1.00 29.16 C ATOM 2693 O ASP B 66 13.811 -5.314 1.671 1.00 28.63 O ATOM 2694 CB ASP B 66 14.169 -3.375 -0.595 1.00 30.12 C ATOM 2695 CG ASP B 66 14.481 -3.796 -2.027 1.00 33.80 C ATOM 2696 OD1 ASP B 66 13.854 -4.747 -2.564 1.00 37.16 O ATOM 2697 OD2 ASP B 66 15.386 -3.158 -2.619 1.00 38.31 O ATOM 0 H ASP B 66 12.984 -2.470 1.194 1.00 28.13 H new ATOM 0 HA ASP B 66 12.205 -4.062 -0.775 1.00 28.97 H new ATOM 0 HB2 ASP B 66 14.132 -2.407 -0.550 1.00 30.12 H new ATOM 0 HB3 ASP B 66 14.894 -3.658 -0.016 1.00 30.12 H new ATOM 2698 N THR B 67 12.722 -6.351 -0.043 1.00 27.17 N ATOM 2699 CA THR B 67 13.172 -7.653 0.405 1.00 27.69 C ATOM 2700 C THR B 67 13.786 -8.447 -0.757 1.00 28.02 C ATOM 2701 O THR B 67 14.024 -9.637 -0.621 1.00 28.30 O ATOM 2702 CB THR B 67 12.069 -8.456 1.073 1.00 28.18 C ATOM 2703 OG1 THR B 67 11.004 -8.674 0.125 1.00 27.85 O ATOM 2704 CG2 THR B 67 11.511 -7.712 2.304 1.00 25.26 C ATOM 0 H THR B 67 12.170 -6.352 -0.702 1.00 27.17 H new ATOM 0 HA THR B 67 13.854 -7.496 1.076 1.00 27.69 H new ATOM 0 HB THR B 67 12.438 -9.303 1.368 1.00 28.18 H new ATOM 0 HG1 THR B 67 11.156 -9.376 -0.311 1.00 27.85 H new ATOM 0 HG21 THR B 67 10.810 -8.243 2.713 1.00 25.26 H new ATOM 0 HG22 THR B 67 12.224 -7.569 2.946 1.00 25.26 H new ATOM 0 HG23 THR B 67 11.148 -6.856 2.028 1.00 25.26 H new ATOM 2705 N ASN B 68 13.980 -7.798 -1.903 1.00 28.20 N ATOM 2706 CA ASN B 68 14.757 -8.394 -2.976 1.00 28.76 C ATOM 2707 C ASN B 68 16.206 -7.932 -2.842 1.00 29.30 C ATOM 2708 O ASN B 68 16.456 -6.767 -2.542 1.00 29.44 O ATOM 2709 CB ASN B 68 14.195 -8.005 -4.333 1.00 29.25 C ATOM 2710 CG ASN B 68 14.776 -8.843 -5.460 1.00 30.86 C ATOM 2711 OD1 ASN B 68 15.929 -8.446 -5.937 1.00 31.91 O flip ATOM 2712 ND2 ASN B 68 14.202 -9.850 -5.872 1.00 28.29 N flip ATOM 0 H ASN B 68 13.670 -7.015 -2.075 1.00 28.20 H new ATOM 0 HA ASN B 68 14.713 -9.361 -2.909 1.00 28.76 H new ATOM 0 HB2 ASN B 68 13.230 -8.106 -4.322 1.00 29.25 H new ATOM 0 HB3 ASN B 68 14.380 -7.068 -4.501 1.00 29.25 H new ATOM 0 HD21 ASN B 68 13.445 -10.082 -5.536 1.00 28.29 H new ATOM 0 HD22 ASN B 68 14.558 -10.322 -6.496 1.00 28.29 H new ATOM 2713 N ILE B 69 17.149 -8.842 -3.043 1.00 29.59 N ATOM 2714 CA ILE B 69 18.560 -8.535 -2.807 1.00 30.30 C ATOM 2715 C ILE B 69 19.216 -7.710 -3.926 1.00 30.09 C ATOM 2716 O ILE B 69 20.361 -7.273 -3.784 1.00 30.43 O ATOM 2717 CB ILE B 69 19.392 -9.801 -2.453 1.00 29.68 C ATOM 2718 CG1 ILE B 69 19.595 -10.715 -3.665 1.00 29.84 C ATOM 2719 CG2 ILE B 69 18.744 -10.580 -1.261 1.00 31.57 C ATOM 2720 CD1 ILE B 69 20.446 -11.938 -3.327 1.00 31.51 C ATOM 0 H ILE B 69 16.997 -9.643 -3.316 1.00 29.59 H new ATOM 0 HA ILE B 69 18.563 -7.960 -2.026 1.00 30.30 H new ATOM 0 HB ILE B 69 20.271 -9.498 -2.176 1.00 29.68 H new ATOM 0 HG12 ILE B 69 18.731 -11.005 -3.998 1.00 29.84 H new ATOM 0 HG13 ILE B 69 20.020 -10.214 -4.379 1.00 29.84 H new ATOM 0 HG21 ILE B 69 19.278 -11.364 -1.058 1.00 31.57 H new ATOM 0 HG22 ILE B 69 18.705 -10.005 -0.481 1.00 31.57 H new ATOM 0 HG23 ILE B 69 17.846 -10.855 -1.504 1.00 31.57 H new ATOM 0 HD11 ILE B 69 20.550 -12.489 -4.119 1.00 31.51 H new ATOM 0 HD12 ILE B 69 21.319 -11.650 -3.017 1.00 31.51 H new ATOM 0 HD13 ILE B 69 20.010 -12.453 -2.630 1.00 31.51 H new ATOM 2721 N ALA B 70 18.485 -7.461 -5.013 1.00 29.99 N ATOM 2722 CA ALA B 70 19.012 -6.636 -6.117 1.00 29.76 C ATOM 2723 C ALA B 70 19.821 -5.432 -5.643 1.00 29.30 C ATOM 2724 O ALA B 70 20.945 -5.235 -6.114 1.00 28.75 O ATOM 2725 CB ALA B 70 17.886 -6.178 -7.063 1.00 30.51 C ATOM 0 H ALA B 70 17.686 -7.756 -5.136 1.00 29.99 H new ATOM 0 HA ALA B 70 19.622 -7.212 -6.603 1.00 29.76 H new ATOM 0 HB1 ALA B 70 18.262 -5.639 -7.777 1.00 30.51 H new ATOM 0 HB2 ALA B 70 17.446 -6.955 -7.442 1.00 30.51 H new ATOM 0 HB3 ALA B 70 17.240 -5.651 -6.567 1.00 30.51 H new ATOM 2726 N TYR B 71 19.263 -4.627 -4.724 1.00 28.82 N ATOM 2727 CA TYR B 71 19.952 -3.423 -4.235 1.00 28.61 C ATOM 2728 C TYR B 71 21.264 -3.786 -3.552 1.00 27.58 C ATOM 2729 O TYR B 71 22.288 -3.090 -3.709 1.00 27.69 O ATOM 2730 CB TYR B 71 19.061 -2.541 -3.311 1.00 30.15 C ATOM 2731 CG TYR B 71 19.886 -1.524 -2.535 1.00 32.06 C ATOM 2732 CD1 TYR B 71 20.163 -0.264 -3.066 1.00 33.60 C ATOM 2733 CD2 TYR B 71 20.435 -1.844 -1.295 1.00 33.03 C ATOM 2734 CE1 TYR B 71 20.946 0.653 -2.380 1.00 35.44 C ATOM 2735 CE2 TYR B 71 21.241 -0.934 -0.595 1.00 34.61 C ATOM 2736 CZ TYR B 71 21.494 0.309 -1.143 1.00 34.80 C ATOM 2737 OH TYR B 71 22.285 1.220 -0.478 1.00 34.44 O ATOM 0 H TYR B 71 18.489 -4.761 -4.374 1.00 28.82 H new ATOM 0 HA TYR B 71 20.149 -2.883 -5.016 1.00 28.61 H new ATOM 0 HB2 TYR B 71 18.398 -2.079 -3.847 1.00 30.15 H new ATOM 0 HB3 TYR B 71 18.578 -3.108 -2.689 1.00 30.15 H new ATOM 0 HD1 TYR B 71 19.815 -0.034 -3.897 1.00 33.60 H new ATOM 0 HD2 TYR B 71 20.263 -2.679 -0.923 1.00 33.03 H new ATOM 0 HE1 TYR B 71 21.105 1.494 -2.743 1.00 35.44 H new ATOM 0 HE2 TYR B 71 21.602 -1.165 0.230 1.00 34.61 H new ATOM 0 HH TYR B 71 22.952 0.827 -0.152 1.00 34.44 H new ATOM 2738 N LEU B 72 21.249 -4.880 -2.787 1.00 26.76 N ATOM 2739 CA LEU B 72 22.451 -5.291 -2.069 1.00 25.39 C ATOM 2740 C LEU B 72 23.520 -5.642 -3.103 1.00 26.40 C ATOM 2741 O LEU B 72 24.680 -5.278 -2.954 1.00 25.51 O ATOM 2742 CB LEU B 72 22.168 -6.470 -1.131 1.00 24.89 C ATOM 2743 CG LEU B 72 21.250 -6.126 0.055 1.00 24.80 C ATOM 2744 CD1 LEU B 72 21.108 -7.357 0.954 1.00 25.45 C ATOM 2745 CD2 LEU B 72 21.771 -4.911 0.846 1.00 24.77 C ATOM 0 H LEU B 72 20.565 -5.388 -2.673 1.00 26.76 H new ATOM 0 HA LEU B 72 22.763 -4.566 -1.506 1.00 25.39 H new ATOM 0 HB2 LEU B 72 21.763 -7.188 -1.643 1.00 24.89 H new ATOM 0 HB3 LEU B 72 23.010 -6.807 -0.788 1.00 24.89 H new ATOM 0 HG LEU B 72 20.377 -5.878 -0.287 1.00 24.80 H new ATOM 0 HD11 LEU B 72 20.530 -7.145 1.704 1.00 25.45 H new ATOM 0 HD12 LEU B 72 20.722 -8.087 0.445 1.00 25.45 H new ATOM 0 HD13 LEU B 72 21.982 -7.620 1.284 1.00 25.45 H new ATOM 0 HD21 LEU B 72 21.170 -4.723 1.584 1.00 24.77 H new ATOM 0 HD22 LEU B 72 22.656 -5.105 1.192 1.00 24.77 H new ATOM 0 HD23 LEU B 72 21.815 -4.139 0.261 1.00 24.77 H new ATOM 2746 N HIS B 73 23.089 -6.315 -4.170 1.00 27.86 N ATOM 2747 CA HIS B 73 23.987 -6.655 -5.263 1.00 28.84 C ATOM 2748 C HIS B 73 24.562 -5.440 -5.964 1.00 28.86 C ATOM 2749 O HIS B 73 25.742 -5.442 -6.318 1.00 28.63 O ATOM 2750 CB HIS B 73 23.299 -7.586 -6.256 1.00 29.58 C ATOM 2751 CG HIS B 73 23.172 -8.981 -5.743 1.00 32.60 C ATOM 2752 ND1 HIS B 73 22.565 -10.073 -6.261 1.00 34.60 N flip ATOM 2753 CD2 HIS B 73 23.762 -9.388 -4.565 1.00 34.30 C flip ATOM 2754 CE1 HIS B 73 22.771 -11.104 -5.378 1.00 37.04 C flip ATOM 2755 NE2 HIS B 73 23.508 -10.667 -4.368 1.00 37.94 N flip ATOM 0 H HIS B 73 22.279 -6.582 -4.277 1.00 27.86 H new ATOM 0 HA HIS B 73 24.741 -7.120 -4.867 1.00 28.84 H new ATOM 0 HB2 HIS B 73 22.417 -7.239 -6.461 1.00 29.58 H new ATOM 0 HB3 HIS B 73 23.800 -7.595 -7.086 1.00 29.58 H new ATOM 0 HD2 HIS B 73 24.261 -8.845 -3.998 1.00 34.30 H new ATOM 0 HE1 HIS B 73 22.445 -11.970 -5.474 1.00 37.04 H new ATOM 0 HE2 HIS B 73 23.775 -11.137 -3.699 1.00 37.94 H new ATOM 2756 N GLU B 74 23.749 -4.407 -6.157 1.00 29.36 N ATOM 2757 CA GLU B 74 24.254 -3.203 -6.787 1.00 30.66 C ATOM 2758 C GLU B 74 25.507 -2.705 -6.075 1.00 30.45 C ATOM 2759 O GLU B 74 26.368 -2.080 -6.685 1.00 31.10 O ATOM 2760 CB GLU B 74 23.214 -2.111 -6.830 1.00 31.03 C ATOM 2761 CG GLU B 74 22.009 -2.469 -7.684 1.00 34.73 C ATOM 2762 CD GLU B 74 21.023 -1.339 -7.740 1.00 38.88 C ATOM 2763 OE1 GLU B 74 21.448 -0.174 -7.580 1.00 43.35 O ATOM 2764 OE2 GLU B 74 19.823 -1.608 -7.953 1.00 43.03 O ATOM 0 H GLU B 74 22.919 -4.385 -5.934 1.00 29.36 H new ATOM 0 HA GLU B 74 24.480 -3.433 -7.702 1.00 30.66 H new ATOM 0 HB2 GLU B 74 22.918 -1.918 -5.927 1.00 31.03 H new ATOM 0 HB3 GLU B 74 23.619 -1.300 -7.175 1.00 31.03 H new ATOM 0 HG2 GLU B 74 22.301 -2.690 -8.582 1.00 34.73 H new ATOM 0 HG3 GLU B 74 21.578 -3.259 -7.323 1.00 34.73 H new ATOM 2765 N ASN B 75 25.624 -3.025 -4.795 1.00 29.58 N ATOM 2766 CA ASN B 75 26.687 -2.482 -3.978 1.00 29.39 C ATOM 2767 C ASN B 75 27.598 -3.583 -3.454 1.00 29.13 C ATOM 2768 O ASN B 75 28.289 -3.406 -2.442 1.00 29.67 O ATOM 2769 CB ASN B 75 26.057 -1.675 -2.846 1.00 29.89 C ATOM 2770 CG ASN B 75 25.281 -0.475 -3.351 1.00 30.23 C ATOM 2771 OD1 ASN B 75 24.031 -0.446 -3.361 1.00 33.28 O ATOM 2772 ND2 ASN B 75 26.012 0.533 -3.754 1.00 29.21 N ATOM 0 H ASN B 75 25.092 -3.559 -4.381 1.00 29.58 H new ATOM 0 HA ASN B 75 27.249 -1.899 -4.511 1.00 29.39 H new ATOM 0 HB2 ASN B 75 25.464 -2.248 -2.335 1.00 29.89 H new ATOM 0 HB3 ASN B 75 26.753 -1.375 -2.240 1.00 29.89 H new ATOM 0 HD21 ASN B 75 25.634 1.251 -4.040 1.00 29.21 H new ATOM 0 HD22 ASN B 75 26.870 0.478 -3.733 1.00 29.21 H new ATOM 2773 N ASN B 76 27.613 -4.711 -4.161 1.00 28.75 N ATOM 2774 CA ASN B 76 28.419 -5.885 -3.786 1.00 28.87 C ATOM 2775 C ASN B 76 28.271 -6.300 -2.335 1.00 28.89 C ATOM 2776 O ASN B 76 29.278 -6.548 -1.645 1.00 28.52 O ATOM 2777 CB ASN B 76 29.914 -5.677 -4.084 1.00 29.32 C ATOM 2778 CG ASN B 76 30.734 -6.994 -4.019 1.00 32.83 C ATOM 2779 OD1 ASN B 76 30.058 -8.148 -4.144 1.00 39.33 O flip ATOM 2780 ND2 ASN B 76 31.960 -6.960 -3.851 1.00 33.60 N flip ATOM 0 H ASN B 76 27.153 -4.822 -4.879 1.00 28.75 H new ATOM 0 HA ASN B 76 28.064 -6.600 -4.338 1.00 28.87 H new ATOM 0 HB2 ASN B 76 30.011 -5.284 -4.966 1.00 29.32 H new ATOM 0 HB3 ASN B 76 30.280 -5.042 -3.449 1.00 29.32 H new ATOM 0 HD21 ASN B 76 32.363 -6.204 -3.775 1.00 33.60 H new ATOM 0 HD22 ASN B 76 32.409 -7.692 -3.811 1.00 33.60 H new ATOM 2781 N VAL B 77 27.029 -6.382 -1.867 1.00 28.51 N ATOM 2782 CA VAL B 77 26.776 -6.809 -0.499 1.00 28.28 C ATOM 2783 C VAL B 77 26.150 -8.206 -0.609 1.00 28.36 C ATOM 2784 O VAL B 77 25.091 -8.380 -1.207 1.00 28.65 O ATOM 2785 CB VAL B 77 25.871 -5.797 0.252 1.00 27.99 C ATOM 2786 CG1 VAL B 77 25.345 -6.403 1.548 1.00 27.28 C ATOM 2787 CG2 VAL B 77 26.598 -4.456 0.512 1.00 29.39 C ATOM 0 H VAL B 77 26.324 -6.196 -2.323 1.00 28.51 H new ATOM 0 HA VAL B 77 27.590 -6.844 0.027 1.00 28.28 H new ATOM 0 HB VAL B 77 25.113 -5.601 -0.320 1.00 27.99 H new ATOM 0 HG11 VAL B 77 24.782 -5.757 2.003 1.00 27.28 H new ATOM 0 HG12 VAL B 77 24.826 -7.198 1.347 1.00 27.28 H new ATOM 0 HG13 VAL B 77 26.091 -6.641 2.120 1.00 27.28 H new ATOM 0 HG21 VAL B 77 26.003 -3.851 0.982 1.00 29.39 H new ATOM 0 HG22 VAL B 77 27.388 -4.615 1.052 1.00 29.39 H new ATOM 0 HG23 VAL B 77 26.859 -4.060 -0.334 1.00 29.39 H new ATOM 2788 N THR B 78 26.832 -9.210 -0.073 1.00 29.20 N ATOM 2789 CA THR B 78 26.488 -10.596 -0.384 1.00 29.70 C ATOM 2790 C THR B 78 25.991 -11.344 0.841 1.00 29.24 C ATOM 2791 O THR B 78 25.820 -12.568 0.812 1.00 29.27 O ATOM 2792 CB THR B 78 27.687 -11.334 -1.007 1.00 30.21 C ATOM 2793 OG1 THR B 78 28.737 -11.418 -0.045 1.00 30.78 O ATOM 2794 CG2 THR B 78 28.212 -10.583 -2.230 1.00 31.98 C ATOM 0 H THR B 78 27.493 -9.114 0.469 1.00 29.20 H new ATOM 0 HA THR B 78 25.765 -10.571 -1.031 1.00 29.70 H new ATOM 0 HB THR B 78 27.395 -12.219 -1.277 1.00 30.21 H new ATOM 0 HG1 THR B 78 29.393 -11.821 -0.380 1.00 30.78 H new ATOM 0 HG21 THR B 78 28.966 -11.064 -2.606 1.00 31.98 H new ATOM 0 HG22 THR B 78 27.509 -10.514 -2.894 1.00 31.98 H new ATOM 0 HG23 THR B 78 28.496 -9.694 -1.967 1.00 31.98 H new ATOM 2795 N ILE B 79 25.742 -10.598 1.919 1.00 28.43 N ATOM 2796 CA ILE B 79 25.329 -11.182 3.200 1.00 27.56 C ATOM 2797 C ILE B 79 24.017 -11.995 3.167 1.00 27.86 C ATOM 2798 O ILE B 79 23.813 -12.853 4.021 1.00 28.49 O ATOM 2799 CB ILE B 79 25.271 -10.097 4.315 1.00 27.72 C ATOM 2800 CG1 ILE B 79 24.203 -9.060 4.026 1.00 26.76 C ATOM 2801 CG2 ILE B 79 26.640 -9.392 4.482 1.00 25.43 C ATOM 2802 CD1 ILE B 79 24.123 -7.910 5.066 1.00 28.09 C ATOM 0 H ILE B 79 25.807 -9.741 1.929 1.00 28.43 H new ATOM 0 HA ILE B 79 26.021 -11.831 3.404 1.00 27.56 H new ATOM 0 HB ILE B 79 25.047 -10.554 5.141 1.00 27.72 H new ATOM 0 HG12 ILE B 79 24.368 -8.678 3.150 1.00 26.76 H new ATOM 0 HG13 ILE B 79 23.341 -9.503 3.984 1.00 26.76 H new ATOM 0 HG21 ILE B 79 26.576 -8.723 5.181 1.00 25.43 H new ATOM 0 HG22 ILE B 79 27.314 -10.047 4.722 1.00 25.43 H new ATOM 0 HG23 ILE B 79 26.888 -8.965 3.647 1.00 25.43 H new ATOM 0 HD11 ILE B 79 23.420 -7.292 4.812 1.00 28.09 H new ATOM 0 HD12 ILE B 79 23.928 -8.278 5.942 1.00 28.09 H new ATOM 0 HD13 ILE B 79 24.971 -7.440 5.095 1.00 28.09 H new ATOM 2803 N TRP B 80 23.151 -11.741 2.190 1.00 27.51 N ATOM 2804 CA TRP B 80 21.850 -12.440 2.069 1.00 28.69 C ATOM 2805 C TRP B 80 21.758 -13.477 0.936 1.00 29.43 C ATOM 2806 O TRP B 80 20.701 -14.097 0.719 1.00 28.95 O ATOM 2807 CB TRP B 80 20.723 -11.418 1.901 1.00 27.89 C ATOM 2808 CG TRP B 80 20.285 -10.786 3.206 1.00 28.23 C ATOM 2809 CD1 TRP B 80 20.600 -9.538 3.685 1.00 25.81 C ATOM 2810 CD2 TRP B 80 19.424 -11.381 4.167 1.00 27.51 C ATOM 2811 NE1 TRP B 80 19.992 -9.332 4.915 1.00 25.79 N ATOM 2812 CE2 TRP B 80 19.273 -10.461 5.232 1.00 27.02 C ATOM 2813 CE3 TRP B 80 18.801 -12.635 4.259 1.00 29.02 C ATOM 2814 CZ2 TRP B 80 18.490 -10.746 6.359 1.00 27.51 C ATOM 2815 CZ3 TRP B 80 18.020 -12.915 5.374 1.00 28.96 C ATOM 2816 CH2 TRP B 80 17.860 -11.965 6.401 1.00 27.46 C ATOM 0 H TRP B 80 23.292 -11.159 1.573 1.00 27.51 H new ATOM 0 HA TRP B 80 21.762 -12.942 2.894 1.00 28.69 H new ATOM 0 HB2 TRP B 80 21.016 -10.721 1.294 1.00 27.89 H new ATOM 0 HB3 TRP B 80 19.960 -11.852 1.488 1.00 27.89 H new ATOM 0 HD1 TRP B 80 21.142 -8.921 3.249 1.00 25.81 H new ATOM 0 HE1 TRP B 80 20.054 -8.622 5.396 1.00 25.79 H new ATOM 0 HE3 TRP B 80 18.909 -13.268 3.586 1.00 29.02 H new ATOM 0 HZ2 TRP B 80 18.401 -10.132 7.052 1.00 27.51 H new ATOM 0 HZ3 TRP B 80 17.598 -13.741 5.443 1.00 28.96 H new ATOM 0 HH2 TRP B 80 17.314 -12.168 7.126 1.00 27.46 H new ATOM 2817 N ASP B 81 22.883 -13.670 0.244 1.00 31.44 N ATOM 2818 CA ASP B 81 22.956 -14.518 -0.964 1.00 33.42 C ATOM 2819 C ASP B 81 22.478 -15.944 -0.811 1.00 34.16 C ATOM 2820 O ASP B 81 21.760 -16.449 -1.671 1.00 34.88 O ATOM 2821 CB ASP B 81 24.384 -14.517 -1.522 1.00 33.06 C ATOM 2822 CG ASP B 81 24.707 -13.233 -2.226 1.00 33.20 C ATOM 2823 OD1 ASP B 81 23.843 -12.339 -2.233 1.00 33.98 O ATOM 2824 OD2 ASP B 81 25.813 -13.120 -2.776 1.00 35.47 O ATOM 0 H ASP B 81 23.635 -13.312 0.460 1.00 31.44 H new ATOM 0 HA ASP B 81 22.328 -14.109 -1.580 1.00 33.42 H new ATOM 0 HB2 ASP B 81 25.014 -14.656 -0.798 1.00 33.06 H new ATOM 0 HB3 ASP B 81 24.491 -15.259 -2.138 1.00 33.06 H new ATOM 2825 N GLU B 82 22.868 -16.591 0.276 1.00 35.84 N ATOM 2826 CA GLU B 82 22.489 -17.983 0.508 1.00 37.56 C ATOM 2827 C GLU B 82 21.017 -18.199 0.874 1.00 37.65 C ATOM 2828 O GLU B 82 20.550 -19.345 0.944 1.00 37.79 O ATOM 2829 CB GLU B 82 23.362 -18.582 1.596 1.00 38.07 C ATOM 2830 CG GLU B 82 24.784 -18.898 1.150 1.00 43.52 C ATOM 2831 CD GLU B 82 25.602 -19.471 2.290 1.00 50.09 C ATOM 2832 OE1 GLU B 82 25.096 -19.462 3.445 1.00 52.86 O ATOM 2833 OE2 GLU B 82 26.737 -19.935 2.044 1.00 52.23 O ATOM 0 H GLU B 82 23.354 -16.245 0.895 1.00 35.84 H new ATOM 0 HA GLU B 82 22.624 -18.428 -0.343 1.00 37.56 H new ATOM 0 HB2 GLU B 82 23.398 -17.966 2.344 1.00 38.07 H new ATOM 0 HB3 GLU B 82 22.946 -19.397 1.919 1.00 38.07 H new ATOM 0 HG2 GLU B 82 24.762 -19.530 0.415 1.00 43.52 H new ATOM 0 HG3 GLU B 82 25.208 -18.091 0.818 1.00 43.52 H new ATOM 2834 N TRP B 83 20.291 -17.111 1.115 1.00 37.43 N ATOM 2835 CA TRP B 83 18.918 -17.208 1.594 1.00 37.03 C ATOM 2836 C TRP B 83 17.922 -16.804 0.533 1.00 36.87 C ATOM 2837 O TRP B 83 16.763 -17.166 0.607 1.00 36.19 O ATOM 2838 CB TRP B 83 18.742 -16.359 2.846 1.00 37.38 C ATOM 2839 CG TRP B 83 19.524 -16.882 3.984 1.00 37.28 C ATOM 2840 CD1 TRP B 83 20.804 -16.533 4.352 1.00 38.36 C ATOM 2841 CD2 TRP B 83 19.087 -17.872 4.922 1.00 37.87 C ATOM 2842 NE1 TRP B 83 21.180 -17.251 5.475 1.00 37.45 N ATOM 2843 CE2 TRP B 83 20.143 -18.078 5.839 1.00 38.19 C ATOM 2844 CE3 TRP B 83 17.908 -18.614 5.068 1.00 37.28 C ATOM 2845 CZ2 TRP B 83 20.042 -18.986 6.899 1.00 39.44 C ATOM 2846 CZ3 TRP B 83 17.806 -19.516 6.127 1.00 38.59 C ATOM 2847 CH2 TRP B 83 18.871 -19.693 7.030 1.00 38.64 C ATOM 0 H TRP B 83 20.576 -16.307 1.007 1.00 37.43 H new ATOM 0 HA TRP B 83 18.744 -18.137 1.812 1.00 37.03 H new ATOM 0 HB2 TRP B 83 19.015 -15.447 2.659 1.00 37.38 H new ATOM 0 HB3 TRP B 83 17.803 -16.330 3.086 1.00 37.38 H new ATOM 0 HD1 TRP B 83 21.336 -15.909 3.913 1.00 38.36 H new ATOM 0 HE1 TRP B 83 21.937 -17.190 5.878 1.00 37.45 H new ATOM 0 HE3 TRP B 83 17.205 -18.507 4.469 1.00 37.28 H new ATOM 0 HZ2 TRP B 83 20.745 -19.107 7.496 1.00 39.44 H new ATOM 0 HZ3 TRP B 83 17.024 -20.007 6.238 1.00 38.59 H new ATOM 0 HH2 TRP B 83 18.780 -20.300 7.729 1.00 38.64 H new ATOM 2848 N ALA B 84 18.390 -16.056 -0.456 1.00 37.33 N ATOM 2849 CA ALA B 84 17.547 -15.585 -1.532 1.00 38.17 C ATOM 2850 C ALA B 84 17.192 -16.706 -2.516 1.00 39.32 C ATOM 2851 O ALA B 84 17.966 -17.657 -2.704 1.00 39.54 O ATOM 2852 CB ALA B 84 18.222 -14.443 -2.247 1.00 37.87 C ATOM 0 H ALA B 84 19.211 -15.808 -0.518 1.00 37.33 H new ATOM 0 HA ALA B 84 16.714 -15.273 -1.144 1.00 38.17 H new ATOM 0 HB1 ALA B 84 17.653 -14.131 -2.968 1.00 37.87 H new ATOM 0 HB2 ALA B 84 18.380 -13.718 -1.622 1.00 37.87 H new ATOM 0 HB3 ALA B 84 19.069 -14.745 -2.612 1.00 37.87 H new ATOM 2853 N ASP B 85 16.018 -16.585 -3.131 1.00 40.27 N ATOM 2854 CA ASP B 85 15.572 -17.530 -4.146 1.00 40.89 C ATOM 2855 C ASP B 85 16.110 -17.111 -5.502 1.00 41.81 C ATOM 2856 O ASP B 85 16.897 -16.160 -5.593 1.00 41.51 O ATOM 2857 CB ASP B 85 14.037 -17.649 -4.152 1.00 40.73 C ATOM 2858 CG ASP B 85 13.333 -16.490 -4.874 1.00 40.21 C ATOM 2859 OD1 ASP B 85 13.977 -15.620 -5.493 1.00 42.11 O ATOM 2860 OD2 ASP B 85 12.098 -16.458 -4.824 1.00 39.59 O ATOM 0 H ASP B 85 15.459 -15.952 -2.970 1.00 40.27 H new ATOM 0 HA ASP B 85 15.922 -18.411 -3.938 1.00 40.89 H new ATOM 0 HB2 ASP B 85 13.787 -18.484 -4.577 1.00 40.73 H new ATOM 0 HB3 ASP B 85 13.720 -17.690 -3.236 1.00 40.73 H new ATOM 2861 N GLU B 86 15.676 -17.795 -6.566 1.00 43.07 N ATOM 2862 CA GLU B 86 16.216 -17.488 -7.887 1.00 43.84 C ATOM 2863 C GLU B 86 16.016 -16.034 -8.302 1.00 43.21 C ATOM 2864 O GLU B 86 16.927 -15.445 -8.877 1.00 44.01 O ATOM 2865 CB GLU B 86 15.692 -18.417 -8.978 1.00 44.47 C ATOM 2866 CG GLU B 86 16.549 -18.269 -10.223 1.00 47.90 C ATOM 2867 CD GLU B 86 16.033 -19.050 -11.395 1.00 52.36 C ATOM 2868 OE1 GLU B 86 16.859 -19.777 -11.995 1.00 54.06 O ATOM 2869 OE2 GLU B 86 14.817 -18.942 -11.708 1.00 53.92 O ATOM 0 H GLU B 86 15.087 -18.421 -6.544 1.00 43.07 H new ATOM 0 HA GLU B 86 17.170 -17.639 -7.794 1.00 43.84 H new ATOM 0 HB2 GLU B 86 15.709 -19.336 -8.669 1.00 44.47 H new ATOM 0 HB3 GLU B 86 14.768 -18.203 -9.182 1.00 44.47 H new ATOM 0 HG2 GLU B 86 16.599 -17.331 -10.464 1.00 47.90 H new ATOM 0 HG3 GLU B 86 17.453 -18.558 -10.022 1.00 47.90 H new ATOM 2870 N ASN B 87 14.851 -15.453 -8.005 1.00 42.22 N ATOM 2871 CA ASN B 87 14.596 -14.049 -8.358 1.00 41.46 C ATOM 2872 C ASN B 87 15.272 -13.035 -7.434 1.00 39.42 C ATOM 2873 O ASN B 87 15.112 -11.840 -7.615 1.00 39.66 O ATOM 2874 CB ASN B 87 13.091 -13.741 -8.450 1.00 42.57 C ATOM 2875 CG ASN B 87 12.457 -14.306 -9.701 1.00 45.99 C ATOM 2876 OD1 ASN B 87 12.237 -15.518 -9.802 1.00 49.38 O ATOM 2877 ND2 ASN B 87 12.153 -13.433 -10.666 1.00 47.44 N ATOM 0 H ASN B 87 14.201 -15.847 -7.604 1.00 42.22 H new ATOM 0 HA ASN B 87 15.001 -13.946 -9.234 1.00 41.46 H new ATOM 0 HB2 ASN B 87 12.642 -14.105 -7.671 1.00 42.57 H new ATOM 0 HB3 ASN B 87 12.959 -12.780 -8.430 1.00 42.57 H new ATOM 0 HD21 ASN B 87 11.788 -13.708 -11.395 1.00 47.44 H new ATOM 0 HD22 ASN B 87 12.322 -12.597 -10.558 1.00 47.44 H new ATOM 2878 N GLY B 88 16.050 -13.512 -6.468 1.00 38.15 N ATOM 2879 CA GLY B 88 16.692 -12.626 -5.500 1.00 34.86 C ATOM 2880 C GLY B 88 15.756 -12.325 -4.331 1.00 33.76 C ATOM 2881 O GLY B 88 16.050 -11.462 -3.499 1.00 32.42 O ATOM 0 H GLY B 88 16.220 -14.347 -6.355 1.00 38.15 H new ATOM 0 HA2 GLY B 88 17.506 -13.037 -5.170 1.00 34.86 H new ATOM 0 HA3 GLY B 88 16.949 -11.798 -5.935 1.00 34.86 H new ATOM 2882 N ASP B 89 14.639 -13.044 -4.252 1.00 32.07 N ATOM 2883 CA ASP B 89 13.644 -12.749 -3.221 1.00 31.72 C ATOM 2884 C ASP B 89 13.894 -13.467 -1.928 1.00 29.62 C ATOM 2885 O ASP B 89 14.414 -14.577 -1.911 1.00 29.74 O ATOM 2886 CB ASP B 89 12.230 -13.010 -3.717 1.00 32.63 C ATOM 2887 CG ASP B 89 11.761 -11.940 -4.658 1.00 36.30 C ATOM 2888 OD1 ASP B 89 11.802 -10.743 -4.278 1.00 40.25 O ATOM 2889 OD2 ASP B 89 11.379 -12.294 -5.793 1.00 39.48 O ATOM 0 H ASP B 89 14.439 -13.696 -4.776 1.00 32.07 H new ATOM 0 HA ASP B 89 13.736 -11.802 -3.033 1.00 31.72 H new ATOM 0 HB2 ASP B 89 12.198 -13.870 -4.164 1.00 32.63 H new ATOM 0 HB3 ASP B 89 11.626 -13.061 -2.960 1.00 32.63 H new ATOM 2890 N LEU B 90 13.528 -12.809 -0.835 1.00 28.11 N ATOM 2891 CA LEU B 90 13.604 -13.410 0.496 1.00 25.63 C ATOM 2892 C LEU B 90 12.228 -13.617 1.137 1.00 24.82 C ATOM 2893 O LEU B 90 12.139 -14.080 2.285 1.00 24.70 O ATOM 2894 CB LEU B 90 14.440 -12.503 1.424 1.00 26.05 C ATOM 2895 CG LEU B 90 15.942 -12.394 1.120 1.00 26.48 C ATOM 2896 CD1 LEU B 90 16.564 -11.186 1.837 1.00 27.32 C ATOM 2897 CD2 LEU B 90 16.674 -13.666 1.503 1.00 28.04 C ATOM 0 H LEU B 90 13.229 -12.003 -0.841 1.00 28.11 H new ATOM 0 HA LEU B 90 14.016 -14.281 0.386 1.00 25.63 H new ATOM 0 HB2 LEU B 90 14.061 -11.611 1.396 1.00 26.05 H new ATOM 0 HB3 LEU B 90 14.339 -12.826 2.333 1.00 26.05 H new ATOM 0 HG LEU B 90 16.036 -12.265 0.163 1.00 26.48 H new ATOM 0 HD11 LEU B 90 17.510 -11.139 1.630 1.00 27.32 H new ATOM 0 HD12 LEU B 90 16.127 -10.373 1.539 1.00 27.32 H new ATOM 0 HD13 LEU B 90 16.448 -11.283 2.795 1.00 27.32 H new ATOM 0 HD21 LEU B 90 17.618 -13.570 1.301 1.00 28.04 H new ATOM 0 HD22 LEU B 90 16.562 -13.831 2.452 1.00 28.04 H new ATOM 0 HD23 LEU B 90 16.311 -14.412 1.001 1.00 28.04 H new ATOM 2898 N GLY B 91 11.170 -13.205 0.453 1.00 23.71 N ATOM 2899 CA GLY B 91 9.834 -13.203 1.059 1.00 22.87 C ATOM 2900 C GLY B 91 9.678 -11.977 1.974 1.00 23.42 C ATOM 2901 O GLY B 91 10.538 -11.118 1.996 1.00 23.36 O ATOM 0 H GLY B 91 11.197 -12.923 -0.359 1.00 23.71 H new ATOM 0 HA2 GLY B 91 9.156 -13.188 0.366 1.00 22.87 H new ATOM 0 HA3 GLY B 91 9.700 -14.017 1.569 1.00 22.87 H new ATOM 2902 N PRO B 92 8.570 -11.889 2.733 1.00 23.68 N ATOM 2903 CA PRO B 92 8.291 -10.661 3.450 1.00 23.54 C ATOM 2904 C PRO B 92 9.105 -10.521 4.751 1.00 23.17 C ATOM 2905 O PRO B 92 8.544 -10.433 5.849 1.00 23.38 O ATOM 2906 CB PRO B 92 6.803 -10.771 3.724 1.00 23.16 C ATOM 2907 CG PRO B 92 6.587 -12.216 3.927 1.00 23.70 C ATOM 2908 CD PRO B 92 7.491 -12.879 2.911 1.00 23.72 C ATOM 0 HA PRO B 92 8.539 -9.871 2.945 1.00 23.54 H new ATOM 0 HB2 PRO B 92 6.547 -10.259 4.507 1.00 23.16 H new ATOM 0 HB3 PRO B 92 6.279 -10.434 2.981 1.00 23.16 H new ATOM 0 HG2 PRO B 92 6.815 -12.484 4.831 1.00 23.70 H new ATOM 0 HG3 PRO B 92 5.658 -12.458 3.785 1.00 23.70 H new ATOM 0 HD2 PRO B 92 7.832 -13.728 3.233 1.00 23.72 H new ATOM 0 HD3 PRO B 92 7.026 -13.057 2.079 1.00 23.72 H new ATOM 2909 N VAL B 93 10.423 -10.500 4.623 1.00 23.20 N ATOM 2910 CA VAL B 93 11.318 -10.359 5.799 1.00 22.08 C ATOM 2911 C VAL B 93 11.353 -8.897 6.303 1.00 22.79 C ATOM 2912 O VAL B 93 10.567 -8.072 5.839 1.00 23.38 O ATOM 2913 CB VAL B 93 12.742 -10.938 5.504 1.00 22.18 C ATOM 2914 CG1 VAL B 93 12.671 -12.421 5.188 1.00 22.35 C ATOM 2915 CG2 VAL B 93 13.446 -10.204 4.357 1.00 22.23 C ATOM 0 H VAL B 93 10.833 -10.565 3.870 1.00 23.20 H new ATOM 0 HA VAL B 93 10.953 -10.891 6.524 1.00 22.08 H new ATOM 0 HB VAL B 93 13.264 -10.803 6.310 1.00 22.18 H new ATOM 0 HG11 VAL B 93 13.563 -12.757 5.009 1.00 22.35 H new ATOM 0 HG12 VAL B 93 12.293 -12.896 5.945 1.00 22.35 H new ATOM 0 HG13 VAL B 93 12.111 -12.559 4.408 1.00 22.35 H new ATOM 0 HG21 VAL B 93 14.321 -10.596 4.211 1.00 22.23 H new ATOM 0 HG22 VAL B 93 12.917 -10.285 3.548 1.00 22.23 H new ATOM 0 HG23 VAL B 93 13.546 -9.267 4.585 1.00 22.23 H new ATOM 2916 N TYR B 94 12.239 -8.593 7.253 1.00 22.08 N ATOM 2917 CA TYR B 94 12.435 -7.253 7.844 1.00 22.28 C ATOM 2918 C TYR B 94 11.851 -6.045 7.108 1.00 21.81 C ATOM 2919 O TYR B 94 10.882 -5.451 7.546 1.00 22.21 O ATOM 2920 CB TYR B 94 13.944 -7.011 8.067 1.00 21.90 C ATOM 2921 CG TYR B 94 14.630 -8.074 8.898 1.00 22.16 C ATOM 2922 CD1 TYR B 94 14.394 -8.169 10.279 1.00 22.14 C ATOM 2923 CD2 TYR B 94 15.535 -8.956 8.322 1.00 21.46 C ATOM 2924 CE1 TYR B 94 15.025 -9.128 11.049 1.00 21.56 C ATOM 2925 CE2 TYR B 94 16.188 -9.953 9.099 1.00 23.17 C ATOM 2926 CZ TYR B 94 15.913 -10.009 10.465 1.00 23.36 C ATOM 2927 OH TYR B 94 16.553 -10.956 11.222 1.00 25.43 O ATOM 0 H TYR B 94 12.767 -9.183 7.589 1.00 22.08 H new ATOM 0 HA TYR B 94 11.919 -7.297 8.664 1.00 22.28 H new ATOM 0 HB2 TYR B 94 14.383 -6.957 7.204 1.00 21.90 H new ATOM 0 HB3 TYR B 94 14.062 -6.151 8.500 1.00 21.90 H new ATOM 0 HD1 TYR B 94 13.802 -7.576 10.683 1.00 22.14 H new ATOM 0 HD2 TYR B 94 15.717 -8.894 7.412 1.00 21.46 H new ATOM 0 HE1 TYR B 94 14.851 -9.180 11.961 1.00 21.56 H new ATOM 0 HE2 TYR B 94 16.782 -10.551 8.707 1.00 23.17 H new ATOM 0 HH TYR B 94 16.618 -11.669 10.783 1.00 25.43 H new ATOM 2928 N GLY B 95 12.440 -5.658 5.995 1.00 21.90 N ATOM 2929 CA GLY B 95 12.031 -4.425 5.347 1.00 21.15 C ATOM 2930 C GLY B 95 10.547 -4.357 5.025 1.00 21.43 C ATOM 2931 O GLY B 95 9.929 -3.314 5.176 1.00 21.88 O ATOM 0 H GLY B 95 13.072 -6.087 5.600 1.00 21.90 H new ATOM 0 HA2 GLY B 95 12.263 -3.677 5.920 1.00 21.15 H new ATOM 0 HA3 GLY B 95 12.536 -4.320 4.525 1.00 21.15 H new ATOM 2932 N LYS B 96 9.989 -5.462 4.545 1.00 21.21 N ATOM 2933 CA LYS B 96 8.560 -5.507 4.215 1.00 20.81 C ATOM 2934 C LYS B 96 7.716 -5.305 5.467 1.00 20.74 C ATOM 2935 O LYS B 96 6.751 -4.556 5.451 1.00 20.31 O ATOM 2936 CB LYS B 96 8.220 -6.839 3.534 1.00 21.37 C ATOM 2937 CG LYS B 96 6.754 -6.995 3.107 1.00 21.94 C ATOM 2938 CD LYS B 96 6.285 -5.829 2.208 1.00 27.56 C ATOM 2939 CE LYS B 96 4.832 -6.044 1.611 1.00 27.98 C ATOM 2940 NZ LYS B 96 3.727 -6.279 2.584 1.00 27.21 N ATOM 0 H LYS B 96 10.414 -6.196 4.402 1.00 21.21 H new ATOM 0 HA LYS B 96 8.357 -4.786 3.598 1.00 20.81 H new ATOM 0 HB2 LYS B 96 8.783 -6.939 2.751 1.00 21.37 H new ATOM 0 HB3 LYS B 96 8.445 -7.563 4.139 1.00 21.37 H new ATOM 0 HG2 LYS B 96 6.644 -7.833 2.631 1.00 21.94 H new ATOM 0 HG3 LYS B 96 6.191 -7.040 3.896 1.00 21.94 H new ATOM 0 HD2 LYS B 96 6.298 -5.007 2.722 1.00 27.56 H new ATOM 0 HD3 LYS B 96 6.915 -5.718 1.479 1.00 27.56 H new ATOM 0 HE2 LYS B 96 4.606 -5.264 1.081 1.00 27.98 H new ATOM 0 HE3 LYS B 96 4.865 -6.800 1.004 1.00 27.98 H new ATOM 0 HZ1 LYS B 96 2.948 -6.285 2.153 1.00 27.21 H new ATOM 0 HZ2 LYS B 96 3.848 -7.063 2.988 1.00 27.21 H new ATOM 0 HZ3 LYS B 96 3.724 -5.630 3.193 1.00 27.21 H new ATOM 2941 N GLN B 97 8.098 -5.935 6.578 1.00 19.46 N ATOM 2942 CA GLN B 97 7.312 -5.760 7.802 1.00 19.03 C ATOM 2943 C GLN B 97 7.484 -4.326 8.350 1.00 18.53 C ATOM 2944 O GLN B 97 6.549 -3.700 8.847 1.00 18.51 O ATOM 2945 CB GLN B 97 7.695 -6.837 8.844 1.00 18.06 C ATOM 2946 CG GLN B 97 7.441 -8.317 8.348 1.00 17.56 C ATOM 2947 CD GLN B 97 6.041 -8.571 7.851 1.00 19.86 C ATOM 2948 OE1 GLN B 97 5.088 -7.887 8.251 1.00 20.31 O ATOM 2949 NE2 GLN B 97 5.889 -9.591 6.961 1.00 18.56 N ATOM 0 H GLN B 97 8.783 -6.450 6.646 1.00 19.46 H new ATOM 0 HA GLN B 97 6.371 -5.878 7.599 1.00 19.03 H new ATOM 0 HB2 GLN B 97 8.633 -6.737 9.072 1.00 18.06 H new ATOM 0 HB3 GLN B 97 7.188 -6.685 9.657 1.00 18.06 H new ATOM 0 HG2 GLN B 97 8.068 -8.521 7.636 1.00 17.56 H new ATOM 0 HG3 GLN B 97 7.631 -8.929 9.077 1.00 17.56 H new ATOM 0 HE21 GLN B 97 6.574 -10.044 6.706 1.00 18.56 H new ATOM 0 HE22 GLN B 97 5.108 -9.781 6.654 1.00 18.56 H new ATOM 2950 N TRP B 98 8.708 -3.806 8.277 1.00 19.12 N ATOM 2951 CA TRP B 98 8.963 -2.458 8.772 1.00 19.17 C ATOM 2952 C TRP B 98 8.149 -1.432 8.043 1.00 20.39 C ATOM 2953 O TRP B 98 7.687 -0.468 8.651 1.00 20.86 O ATOM 2954 CB TRP B 98 10.412 -2.087 8.557 1.00 18.65 C ATOM 2955 CG TRP B 98 11.388 -2.751 9.454 1.00 18.01 C ATOM 2956 CD1 TRP B 98 11.225 -3.898 10.199 1.00 18.95 C ATOM 2957 CD2 TRP B 98 12.733 -2.297 9.692 1.00 18.58 C ATOM 2958 NE1 TRP B 98 12.399 -4.164 10.900 1.00 18.56 N ATOM 2959 CE2 TRP B 98 13.331 -3.207 10.597 1.00 18.20 C ATOM 2960 CE3 TRP B 98 13.481 -1.189 9.233 1.00 18.26 C ATOM 2961 CZ2 TRP B 98 14.663 -3.062 11.041 1.00 17.95 C ATOM 2962 CZ3 TRP B 98 14.806 -1.043 9.678 1.00 20.20 C ATOM 2963 CH2 TRP B 98 15.375 -1.978 10.579 1.00 19.19 C ATOM 0 H TRP B 98 9.393 -4.210 7.950 1.00 19.12 H new ATOM 0 HA TRP B 98 8.729 -2.464 9.713 1.00 19.17 H new ATOM 0 HB2 TRP B 98 10.649 -2.294 7.639 1.00 18.65 H new ATOM 0 HB3 TRP B 98 10.502 -1.127 8.663 1.00 18.65 H new ATOM 0 HD1 TRP B 98 10.452 -4.414 10.229 1.00 18.95 H new ATOM 0 HE1 TRP B 98 12.520 -4.824 11.438 1.00 18.56 H new ATOM 0 HE3 TRP B 98 13.105 -0.570 8.649 1.00 18.26 H new ATOM 0 HZ2 TRP B 98 15.046 -3.677 11.625 1.00 17.95 H new ATOM 0 HZ3 TRP B 98 15.315 -0.325 9.378 1.00 20.20 H new ATOM 0 HH2 TRP B 98 16.251 -1.856 10.865 1.00 19.19 H new ATOM 2964 N ARG B 99 7.938 -1.645 6.748 1.00 20.56 N ATOM 2965 CA ARG B 99 7.332 -0.581 5.936 1.00 21.03 C ATOM 2966 C ARG B 99 5.919 -0.833 5.456 1.00 21.47 C ATOM 2967 O ARG B 99 5.260 0.107 5.039 1.00 20.61 O ATOM 2968 CB ARG B 99 8.206 -0.306 4.703 1.00 22.00 C ATOM 2969 CG ARG B 99 9.621 0.201 5.019 1.00 22.23 C ATOM 2970 CD ARG B 99 9.634 1.539 5.787 1.00 24.59 C ATOM 2971 NE ARG B 99 8.704 2.561 5.267 1.00 22.39 N ATOM 2972 CZ ARG B 99 8.797 3.179 4.082 1.00 25.26 C ATOM 2973 NH1 ARG B 99 9.824 2.931 3.270 1.00 24.30 N ATOM 2974 NH2 ARG B 99 7.870 4.092 3.735 1.00 24.21 N ATOM 0 H ARG B 99 8.129 -2.370 6.327 1.00 20.56 H new ATOM 0 HA ARG B 99 7.281 0.177 6.540 1.00 21.03 H new ATOM 0 HB2 ARG B 99 8.277 -1.122 4.183 1.00 22.00 H new ATOM 0 HB3 ARG B 99 7.759 0.348 4.144 1.00 22.00 H new ATOM 0 HG2 ARG B 99 10.088 -0.469 5.542 1.00 22.23 H new ATOM 0 HG3 ARG B 99 10.112 0.307 4.189 1.00 22.23 H new ATOM 0 HD2 ARG B 99 9.417 1.366 6.717 1.00 24.59 H new ATOM 0 HD3 ARG B 99 10.534 1.900 5.768 1.00 24.59 H new ATOM 0 HE ARG B 99 8.042 2.780 5.771 1.00 22.39 H new ATOM 0 HH11 ARG B 99 10.433 2.371 3.505 1.00 24.30 H new ATOM 0 HH12 ARG B 99 9.878 3.331 2.511 1.00 24.30 H new ATOM 0 HH21 ARG B 99 7.224 4.275 4.273 1.00 24.21 H new ATOM 0 HH22 ARG B 99 7.924 4.492 2.976 1.00 24.21 H new ATOM 2975 N ALA B 100 5.470 -2.081 5.492 1.00 21.64 N ATOM 2976 CA ALA B 100 4.193 -2.456 4.866 1.00 22.09 C ATOM 2977 C ALA B 100 3.680 -3.729 5.467 1.00 22.19 C ATOM 2978 O ALA B 100 3.360 -4.695 4.771 1.00 22.60 O ATOM 2979 CB ALA B 100 4.355 -2.610 3.327 1.00 21.78 C ATOM 0 H ALA B 100 5.885 -2.731 5.873 1.00 21.64 H new ATOM 0 HA ALA B 100 3.550 -1.749 5.032 1.00 22.09 H new ATOM 0 HB1 ALA B 100 3.503 -2.857 2.935 1.00 21.78 H new ATOM 0 HB2 ALA B 100 4.654 -1.769 2.947 1.00 21.78 H new ATOM 0 HB3 ALA B 100 5.010 -3.300 3.138 1.00 21.78 H new ATOM 2980 N TRP B 101 3.609 -3.760 6.790 1.00 22.59 N ATOM 2981 CA TRP B 101 3.042 -4.904 7.505 1.00 22.74 C ATOM 2982 C TRP B 101 1.596 -5.094 7.084 1.00 22.69 C ATOM 2983 O TRP B 101 0.798 -4.187 7.266 1.00 23.04 O ATOM 2984 CB TRP B 101 3.093 -4.629 9.009 1.00 22.09 C ATOM 2985 CG TRP B 101 2.414 -5.629 9.877 1.00 23.32 C ATOM 2986 CD1 TRP B 101 1.053 -5.950 9.910 1.00 22.40 C ATOM 2987 CD2 TRP B 101 3.033 -6.436 10.887 1.00 19.74 C ATOM 2988 NE1 TRP B 101 0.822 -6.917 10.884 1.00 21.10 N ATOM 2989 CE2 TRP B 101 2.010 -7.218 11.499 1.00 21.58 C ATOM 2990 CE3 TRP B 101 4.356 -6.561 11.351 1.00 21.43 C ATOM 2991 CZ2 TRP B 101 2.277 -8.126 12.553 1.00 21.18 C ATOM 2992 CZ3 TRP B 101 4.625 -7.452 12.388 1.00 22.06 C ATOM 2993 CH2 TRP B 101 3.578 -8.233 12.979 1.00 23.82 C ATOM 0 H TRP B 101 3.885 -3.125 7.300 1.00 22.59 H new ATOM 0 HA TRP B 101 3.550 -5.704 7.297 1.00 22.74 H new ATOM 0 HB2 TRP B 101 4.023 -4.572 9.278 1.00 22.09 H new ATOM 0 HB3 TRP B 101 2.696 -3.760 9.175 1.00 22.09 H new ATOM 0 HD1 TRP B 101 0.401 -5.574 9.364 1.00 22.40 H new ATOM 0 HE1 TRP B 101 0.059 -7.268 11.070 1.00 21.10 H new ATOM 0 HE3 TRP B 101 5.039 -6.057 10.972 1.00 21.43 H new ATOM 0 HZ2 TRP B 101 1.598 -8.630 12.941 1.00 21.18 H new ATOM 0 HZ3 TRP B 101 5.496 -7.541 12.701 1.00 22.06 H new ATOM 0 HH2 TRP B 101 3.784 -8.825 13.666 1.00 23.82 H new ATOM 2994 N PRO B 102 1.262 -6.259 6.517 1.00 23.88 N ATOM 2995 CA PRO B 102 -0.119 -6.448 6.029 1.00 25.34 C ATOM 2996 C PRO B 102 -1.082 -6.761 7.155 1.00 26.60 C ATOM 2997 O PRO B 102 -0.839 -7.670 7.953 1.00 26.68 O ATOM 2998 CB PRO B 102 -0.018 -7.643 5.084 1.00 25.12 C ATOM 2999 CG PRO B 102 1.193 -8.420 5.578 1.00 25.99 C ATOM 3000 CD PRO B 102 2.132 -7.421 6.257 1.00 23.68 C ATOM 0 HA PRO B 102 -0.460 -5.645 5.605 1.00 25.34 H new ATOM 0 HB2 PRO B 102 -0.822 -8.185 5.114 1.00 25.12 H new ATOM 0 HB3 PRO B 102 0.097 -7.357 4.164 1.00 25.12 H new ATOM 0 HG2 PRO B 102 0.923 -9.113 6.201 1.00 25.99 H new ATOM 0 HG3 PRO B 102 1.640 -8.861 4.839 1.00 25.99 H new ATOM 0 HD2 PRO B 102 2.504 -7.780 7.078 1.00 23.68 H new ATOM 0 HD3 PRO B 102 2.880 -7.187 5.685 1.00 23.68 H new ATOM 3001 N THR B 103 -2.169 -6.010 7.208 1.00 28.28 N ATOM 3002 CA THR B 103 -3.251 -6.287 8.157 1.00 29.81 C ATOM 3003 C THR B 103 -4.129 -7.437 7.636 1.00 31.74 C ATOM 3004 O THR B 103 -4.048 -7.795 6.465 1.00 31.99 O ATOM 3005 CB THR B 103 -4.123 -5.052 8.347 1.00 30.09 C ATOM 3006 OG1 THR B 103 -4.896 -4.829 7.153 1.00 30.20 O ATOM 3007 CG2 THR B 103 -3.250 -3.832 8.660 1.00 29.68 C ATOM 0 H THR B 103 -2.307 -5.329 6.702 1.00 28.28 H new ATOM 0 HA THR B 103 -2.852 -6.535 9.006 1.00 29.81 H new ATOM 0 HB THR B 103 -4.726 -5.192 9.094 1.00 30.09 H new ATOM 0 HG1 THR B 103 -5.596 -4.406 7.347 1.00 30.20 H new ATOM 0 HG21 THR B 103 -3.814 -3.052 8.779 1.00 29.68 H new ATOM 0 HG22 THR B 103 -2.747 -3.994 9.473 1.00 29.68 H new ATOM 0 HG23 THR B 103 -2.635 -3.677 7.926 1.00 29.68 H new ATOM 3008 N PRO B 104 -4.984 -8.014 8.499 1.00 33.41 N ATOM 3009 CA PRO B 104 -5.863 -9.067 7.993 1.00 35.44 C ATOM 3010 C PRO B 104 -6.911 -8.544 7.002 1.00 37.76 C ATOM 3011 O PRO B 104 -7.455 -9.336 6.238 1.00 38.99 O ATOM 3012 CB PRO B 104 -6.541 -9.610 9.256 1.00 34.84 C ATOM 3013 CG PRO B 104 -5.721 -9.084 10.404 1.00 33.99 C ATOM 3014 CD PRO B 104 -5.192 -7.768 9.938 1.00 33.11 C ATOM 0 HA PRO B 104 -5.367 -9.736 7.497 1.00 35.44 H new ATOM 0 HB2 PRO B 104 -7.461 -9.309 9.316 1.00 34.84 H new ATOM 0 HB3 PRO B 104 -6.559 -10.580 9.254 1.00 34.84 H new ATOM 0 HG2 PRO B 104 -6.262 -8.981 11.203 1.00 33.99 H new ATOM 0 HG3 PRO B 104 -4.999 -9.693 10.627 1.00 33.99 H new ATOM 0 HD2 PRO B 104 -5.821 -7.047 10.096 1.00 33.11 H new ATOM 0 HD3 PRO B 104 -4.367 -7.528 10.388 1.00 33.11 H new ATOM 3015 N ASP B 105 -7.159 -7.235 6.997 1.00 39.93 N ATOM 3016 CA ASP B 105 -8.163 -6.643 6.106 1.00 42.01 C ATOM 3017 C ASP B 105 -7.590 -5.862 4.917 1.00 42.28 C ATOM 3018 O ASP B 105 -8.225 -4.928 4.419 1.00 43.69 O ATOM 3019 CB ASP B 105 -9.142 -5.771 6.903 1.00 42.59 C ATOM 3020 CG ASP B 105 -8.443 -4.727 7.745 1.00 46.08 C ATOM 3021 OD1 ASP B 105 -7.237 -4.483 7.529 1.00 49.58 O ATOM 3022 OD2 ASP B 105 -9.097 -4.142 8.633 1.00 48.78 O ATOM 0 H ASP B 105 -6.756 -6.669 7.503 1.00 39.93 H new ATOM 0 HA ASP B 105 -8.632 -7.396 5.713 1.00 42.01 H new ATOM 0 HB2 ASP B 105 -9.751 -5.331 6.289 1.00 42.59 H new ATOM 0 HB3 ASP B 105 -9.679 -6.338 7.478 1.00 42.59 H new ATOM 3023 N GLY B 106 -6.404 -6.239 4.454 1.00 41.78 N ATOM 3024 CA GLY B 106 -5.891 -5.722 3.189 1.00 40.60 C ATOM 3025 C GLY B 106 -5.276 -4.329 3.201 1.00 39.78 C ATOM 3026 O GLY B 106 -5.084 -3.742 2.130 1.00 40.66 O ATOM 0 H GLY B 106 -5.881 -6.792 4.855 1.00 41.78 H new ATOM 0 HA2 GLY B 106 -5.222 -6.343 2.861 1.00 40.60 H new ATOM 0 HA3 GLY B 106 -6.618 -5.723 2.547 1.00 40.60 H new ATOM 3027 N ARG B 107 -4.967 -3.814 4.393 1.00 37.79 N ATOM 3028 CA ARG B 107 -4.210 -2.570 4.577 1.00 36.06 C ATOM 3029 C ARG B 107 -2.740 -2.875 4.866 1.00 33.94 C ATOM 3030 O ARG B 107 -2.372 -4.019 5.084 1.00 32.60 O ATOM 3031 CB ARG B 107 -4.769 -1.780 5.746 1.00 36.11 C ATOM 3032 CG ARG B 107 -6.042 -0.981 5.428 1.00 40.24 C ATOM 3033 CD ARG B 107 -7.044 -0.985 6.609 1.00 45.93 C ATOM 3034 NE ARG B 107 -6.507 -0.497 7.891 1.00 48.69 N ATOM 3035 CZ ARG B 107 -6.402 -1.225 9.007 1.00 48.97 C ATOM 3036 NH1 ARG B 107 -6.788 -2.497 9.033 1.00 49.45 N ATOM 3037 NH2 ARG B 107 -5.907 -0.677 10.110 1.00 49.77 N ATOM 0 H ARG B 107 -5.196 -4.186 5.134 1.00 37.79 H new ATOM 0 HA ARG B 107 -4.286 -2.054 3.759 1.00 36.06 H new ATOM 0 HB2 ARG B 107 -4.959 -2.393 6.474 1.00 36.11 H new ATOM 0 HB3 ARG B 107 -4.087 -1.167 6.062 1.00 36.11 H new ATOM 0 HG2 ARG B 107 -5.802 -0.066 5.212 1.00 40.24 H new ATOM 0 HG3 ARG B 107 -6.469 -1.356 4.642 1.00 40.24 H new ATOM 0 HD2 ARG B 107 -7.809 -0.440 6.367 1.00 45.93 H new ATOM 0 HD3 ARG B 107 -7.369 -1.890 6.735 1.00 45.93 H new ATOM 0 HE ARG B 107 -6.240 0.320 7.924 1.00 48.69 H new ATOM 0 HH11 ARG B 107 -7.111 -2.863 8.325 1.00 49.45 H new ATOM 0 HH12 ARG B 107 -6.715 -2.954 9.758 1.00 49.45 H new ATOM 0 HH21 ARG B 107 -5.655 0.145 10.106 1.00 49.77 H new ATOM 0 HH22 ARG B 107 -5.839 -1.144 10.829 1.00 49.77 H new ATOM 3038 N HIS B 108 -1.919 -1.829 4.852 1.00 32.49 N ATOM 3039 CA HIS B 108 -0.483 -1.925 5.146 1.00 30.78 C ATOM 3040 C HIS B 108 -0.060 -0.855 6.124 1.00 29.19 C ATOM 3041 O HIS B 108 -0.444 0.307 5.990 1.00 28.75 O ATOM 3042 CB HIS B 108 0.339 -1.876 3.868 1.00 30.52 C ATOM 3043 CG HIS B 108 0.061 -3.036 2.980 1.00 33.80 C ATOM 3044 ND1 HIS B 108 -1.020 -3.065 2.121 1.00 35.26 N ATOM 3045 CD2 HIS B 108 0.639 -4.255 2.904 1.00 33.40 C ATOM 3046 CE1 HIS B 108 -1.062 -4.239 1.516 1.00 36.22 C ATOM 3047 NE2 HIS B 108 -0.062 -4.976 1.968 1.00 38.42 N ATOM 0 H HIS B 108 -2.180 -1.030 4.669 1.00 32.49 H new ATOM 0 HA HIS B 108 -0.316 -2.784 5.565 1.00 30.78 H new ATOM 0 HB2 HIS B 108 0.147 -1.053 3.392 1.00 30.52 H new ATOM 0 HB3 HIS B 108 1.283 -1.860 4.092 1.00 30.52 H new ATOM 0 HD1 HIS B 108 -1.577 -2.421 1.999 1.00 35.26 H new ATOM 0 HD2 HIS B 108 1.373 -4.550 3.393 1.00 33.40 H new ATOM 0 HE1 HIS B 108 -1.688 -4.502 0.881 1.00 36.22 H new ATOM 3048 N ILE B 109 0.713 -1.265 7.129 1.00 27.24 N ATOM 3049 CA ILE B 109 1.153 -0.357 8.171 1.00 25.50 C ATOM 3050 C ILE B 109 2.646 -0.098 7.958 1.00 24.14 C ATOM 3051 O ILE B 109 3.461 -1.032 7.913 1.00 23.52 O ATOM 3052 CB ILE B 109 0.960 -0.963 9.577 1.00 25.50 C ATOM 3053 CG1 ILE B 109 -0.476 -1.500 9.809 1.00 27.80 C ATOM 3054 CG2 ILE B 109 1.390 0.011 10.666 1.00 24.63 C ATOM 3055 CD1 ILE B 109 -1.574 -0.508 9.640 1.00 29.75 C ATOM 0 H ILE B 109 0.993 -2.073 7.221 1.00 27.24 H new ATOM 0 HA ILE B 109 0.628 0.457 8.120 1.00 25.50 H new ATOM 0 HB ILE B 109 1.544 -1.736 9.629 1.00 25.50 H new ATOM 0 HG12 ILE B 109 -0.631 -2.236 9.196 1.00 27.80 H new ATOM 0 HG13 ILE B 109 -0.526 -1.863 10.707 1.00 27.80 H new ATOM 0 HG21 ILE B 109 1.257 -0.397 11.536 1.00 24.63 H new ATOM 0 HG22 ILE B 109 2.328 0.231 10.552 1.00 24.63 H new ATOM 0 HG23 ILE B 109 0.859 0.820 10.605 1.00 24.63 H new ATOM 0 HD11 ILE B 109 -2.427 -0.938 9.805 1.00 29.75 H new ATOM 0 HD12 ILE B 109 -1.452 0.220 10.269 1.00 29.75 H new ATOM 0 HD13 ILE B 109 -1.558 -0.159 8.735 1.00 29.75 H new ATOM 3056 N ASP B 110 2.989 1.174 7.842 1.00 22.55 N ATOM 3057 CA ASP B 110 4.369 1.609 7.723 1.00 22.25 C ATOM 3058 C ASP B 110 4.806 1.907 9.144 1.00 20.86 C ATOM 3059 O ASP B 110 4.540 2.985 9.670 1.00 21.29 O ATOM 3060 CB ASP B 110 4.426 2.850 6.851 1.00 22.34 C ATOM 3061 CG ASP B 110 5.811 3.371 6.630 1.00 24.08 C ATOM 3062 OD1 ASP B 110 6.760 2.949 7.344 1.00 23.46 O ATOM 3063 OD2 ASP B 110 5.936 4.259 5.740 1.00 24.46 O ATOM 0 H ASP B 110 2.419 1.818 7.830 1.00 22.55 H new ATOM 0 HA ASP B 110 4.947 0.948 7.312 1.00 22.25 H new ATOM 0 HB2 ASP B 110 4.024 2.649 5.991 1.00 22.34 H new ATOM 0 HB3 ASP B 110 3.889 3.547 7.260 1.00 22.34 H new ATOM 3064 N GLN B 111 5.461 0.947 9.778 1.00 20.28 N ATOM 3065 CA GLN B 111 5.889 1.125 11.194 1.00 19.99 C ATOM 3066 C GLN B 111 6.973 2.177 11.357 1.00 18.74 C ATOM 3067 O GLN B 111 7.055 2.837 12.395 1.00 19.96 O ATOM 3068 CB GLN B 111 6.402 -0.198 11.769 1.00 18.78 C ATOM 3069 CG GLN B 111 5.382 -1.307 11.663 1.00 19.11 C ATOM 3070 CD GLN B 111 5.833 -2.557 12.350 1.00 19.28 C ATOM 3071 OE1 GLN B 111 5.846 -2.618 13.573 1.00 18.59 O ATOM 3072 NE2 GLN B 111 6.206 -3.571 11.570 1.00 19.72 N ATOM 0 H GLN B 111 5.673 0.190 9.429 1.00 20.28 H new ATOM 0 HA GLN B 111 5.103 1.426 11.677 1.00 19.99 H new ATOM 0 HB2 GLN B 111 7.210 -0.460 11.300 1.00 18.78 H new ATOM 0 HB3 GLN B 111 6.642 -0.071 12.700 1.00 18.78 H new ATOM 0 HG2 GLN B 111 4.544 -1.011 12.051 1.00 19.11 H new ATOM 0 HG3 GLN B 111 5.210 -1.498 10.728 1.00 19.11 H new ATOM 0 HE21 GLN B 111 6.182 -3.487 10.714 1.00 19.72 H new ATOM 0 HE22 GLN B 111 6.471 -4.310 11.922 1.00 19.72 H new ATOM 3073 N ILE B 112 7.811 2.326 10.338 1.00 19.56 N ATOM 3074 CA ILE B 112 8.857 3.327 10.399 1.00 20.16 C ATOM 3075 C ILE B 112 8.278 4.744 10.452 1.00 20.67 C ATOM 3076 O ILE B 112 8.677 5.527 11.310 1.00 19.23 O ATOM 3077 CB ILE B 112 9.901 3.171 9.281 1.00 20.71 C ATOM 3078 CG1 ILE B 112 10.554 1.789 9.359 1.00 19.05 C ATOM 3079 CG2 ILE B 112 10.970 4.305 9.383 1.00 19.10 C ATOM 3080 CD1 ILE B 112 11.249 1.497 10.683 1.00 17.72 C ATOM 0 H ILE B 112 7.789 1.863 9.614 1.00 19.56 H new ATOM 0 HA ILE B 112 9.333 3.177 11.230 1.00 20.16 H new ATOM 0 HB ILE B 112 9.460 3.248 8.420 1.00 20.71 H new ATOM 0 HG12 ILE B 112 9.875 1.113 9.206 1.00 19.05 H new ATOM 0 HG13 ILE B 112 11.201 1.708 8.641 1.00 19.05 H new ATOM 0 HG21 ILE B 112 11.624 4.198 8.674 1.00 19.10 H new ATOM 0 HG22 ILE B 112 10.536 5.168 9.295 1.00 19.10 H new ATOM 0 HG23 ILE B 112 11.415 4.254 10.243 1.00 19.10 H new ATOM 0 HD11 ILE B 112 11.636 0.608 10.656 1.00 17.72 H new ATOM 0 HD12 ILE B 112 11.950 2.150 10.832 1.00 17.72 H new ATOM 0 HD13 ILE B 112 10.603 1.546 11.405 1.00 17.72 H new ATOM 3081 N THR B 113 7.348 5.064 9.529 1.00 21.43 N ATOM 3082 CA THR B 113 6.668 6.384 9.536 1.00 22.23 C ATOM 3083 C THR B 113 5.883 6.579 10.824 1.00 22.38 C ATOM 3084 O THR B 113 5.850 7.683 11.394 1.00 23.66 O ATOM 3085 CB THR B 113 5.747 6.565 8.270 1.00 22.17 C ATOM 3086 OG1 THR B 113 6.585 6.691 7.135 1.00 22.15 O ATOM 3087 CG2 THR B 113 4.879 7.841 8.338 1.00 22.32 C ATOM 0 H THR B 113 7.098 4.538 8.896 1.00 21.43 H new ATOM 0 HA THR B 113 7.351 7.071 9.495 1.00 22.23 H new ATOM 0 HB THR B 113 5.157 5.796 8.226 1.00 22.17 H new ATOM 0 HG1 THR B 113 6.465 6.036 6.623 1.00 22.15 H new ATOM 0 HG21 THR B 113 4.334 7.905 7.538 1.00 22.32 H new ATOM 0 HG22 THR B 113 4.304 7.801 9.118 1.00 22.32 H new ATOM 0 HG23 THR B 113 5.453 8.620 8.400 1.00 22.32 H new ATOM 3088 N THR B 114 5.275 5.499 11.312 1.00 22.77 N ATOM 3089 CA THR B 114 4.547 5.553 12.576 1.00 22.01 C ATOM 3090 C THR B 114 5.462 5.960 13.718 1.00 21.56 C ATOM 3091 O THR B 114 5.152 6.856 14.507 1.00 20.88 O ATOM 3092 CB THR B 114 3.873 4.212 12.858 1.00 22.53 C ATOM 3093 OG1 THR B 114 2.924 3.986 11.807 1.00 22.35 O ATOM 3094 CG2 THR B 114 3.176 4.219 14.227 1.00 22.88 C ATOM 0 H THR B 114 5.272 4.729 10.928 1.00 22.77 H new ATOM 0 HA THR B 114 3.857 6.230 12.502 1.00 22.01 H new ATOM 0 HB THR B 114 4.533 3.502 12.884 1.00 22.53 H new ATOM 0 HG1 THR B 114 3.319 3.675 11.134 1.00 22.35 H new ATOM 0 HG21 THR B 114 2.757 3.358 14.381 1.00 22.88 H new ATOM 0 HG22 THR B 114 3.830 4.389 14.923 1.00 22.88 H new ATOM 0 HG23 THR B 114 2.500 4.915 14.243 1.00 22.88 H new ATOM 3095 N VAL B 115 6.602 5.304 13.800 1.00 20.60 N ATOM 3096 CA VAL B 115 7.514 5.573 14.896 1.00 20.22 C ATOM 3097 C VAL B 115 8.088 6.974 14.819 1.00 20.92 C ATOM 3098 O VAL B 115 8.191 7.648 15.841 1.00 20.58 O ATOM 3099 CB VAL B 115 8.576 4.471 14.945 1.00 21.08 C ATOM 3100 CG1 VAL B 115 9.874 4.957 15.516 1.00 24.55 C ATOM 3101 CG2 VAL B 115 7.969 3.226 15.682 1.00 20.39 C ATOM 0 H VAL B 115 6.867 4.706 13.241 1.00 20.60 H new ATOM 0 HA VAL B 115 7.032 5.552 15.737 1.00 20.22 H new ATOM 0 HB VAL B 115 8.812 4.196 14.045 1.00 21.08 H new ATOM 0 HG11 VAL B 115 10.515 4.229 15.528 1.00 24.55 H new ATOM 0 HG12 VAL B 115 10.217 5.681 14.969 1.00 24.55 H new ATOM 0 HG13 VAL B 115 9.730 5.276 16.421 1.00 24.55 H new ATOM 0 HG21 VAL B 115 8.631 2.518 15.721 1.00 20.39 H new ATOM 0 HG22 VAL B 115 7.711 3.477 16.583 1.00 20.39 H new ATOM 0 HG23 VAL B 115 7.189 2.912 15.198 1.00 20.39 H new ATOM 3102 N LEU B 116 8.422 7.446 13.622 1.00 21.14 N ATOM 3103 CA LEU B 116 8.848 8.852 13.490 1.00 22.46 C ATOM 3104 C LEU B 116 7.781 9.843 13.995 1.00 23.04 C ATOM 3105 O LEU B 116 8.088 10.758 14.781 1.00 22.34 O ATOM 3106 CB LEU B 116 9.216 9.159 12.042 1.00 23.19 C ATOM 3107 CG LEU B 116 10.627 8.765 11.640 1.00 25.67 C ATOM 3108 CD1 LEU B 116 10.619 8.378 10.193 1.00 28.22 C ATOM 3109 CD2 LEU B 116 11.594 9.903 11.898 1.00 28.74 C ATOM 0 H LEU B 116 8.413 6.992 12.891 1.00 21.14 H new ATOM 0 HA LEU B 116 9.630 8.967 14.052 1.00 22.46 H new ATOM 0 HB2 LEU B 116 8.589 8.702 11.459 1.00 23.19 H new ATOM 0 HB3 LEU B 116 9.104 10.110 11.889 1.00 23.19 H new ATOM 0 HG LEU B 116 10.924 8.011 12.173 1.00 25.67 H new ATOM 0 HD11 LEU B 116 11.515 8.123 9.921 1.00 28.22 H new ATOM 0 HD12 LEU B 116 10.016 7.629 10.061 1.00 28.22 H new ATOM 0 HD13 LEU B 116 10.321 9.130 9.658 1.00 28.22 H new ATOM 0 HD21 LEU B 116 12.488 9.634 11.636 1.00 28.74 H new ATOM 0 HD22 LEU B 116 11.326 10.679 11.381 1.00 28.74 H new ATOM 0 HD23 LEU B 116 11.588 10.126 12.842 1.00 28.74 H new ATOM 3110 N ASN B 117 6.536 9.660 13.550 1.00 23.14 N ATOM 3111 CA ASN B 117 5.431 10.483 14.014 1.00 24.67 C ATOM 3112 C ASN B 117 5.296 10.447 15.536 1.00 24.27 C ATOM 3113 O ASN B 117 5.103 11.496 16.183 1.00 24.42 O ATOM 3114 CB ASN B 117 4.123 10.015 13.355 1.00 26.66 C ATOM 3115 CG ASN B 117 3.015 11.071 13.413 1.00 30.82 C ATOM 3116 OD1 ASN B 117 3.367 12.334 13.210 1.00 39.60 O flip ATOM 3117 ND2 ASN B 117 1.850 10.741 13.635 1.00 32.25 N flip ATOM 0 H ASN B 117 6.315 9.059 12.976 1.00 23.14 H new ATOM 0 HA ASN B 117 5.615 11.401 13.759 1.00 24.67 H new ATOM 0 HB2 ASN B 117 4.297 9.786 12.429 1.00 26.66 H new ATOM 0 HB3 ASN B 117 3.816 9.206 13.794 1.00 26.66 H new ATOM 0 HD21 ASN B 117 1.654 9.913 13.762 1.00 32.25 H new ATOM 0 HD22 ASN B 117 1.232 11.338 13.663 1.00 32.25 H new ATOM 3118 N GLN B 118 5.432 9.256 16.120 1.00 23.14 N ATOM 3119 CA GLN B 118 5.421 9.123 17.586 1.00 23.33 C ATOM 3120 C GLN B 118 6.599 9.825 18.238 1.00 23.04 C ATOM 3121 O GLN B 118 6.435 10.506 19.250 1.00 23.30 O ATOM 3122 CB GLN B 118 5.450 7.639 17.997 1.00 23.09 C ATOM 3123 CG GLN B 118 4.150 6.922 17.706 1.00 23.15 C ATOM 3124 CD GLN B 118 4.269 5.466 18.058 1.00 23.96 C ATOM 3125 OE1 GLN B 118 5.060 4.739 17.468 1.00 24.46 O ATOM 3126 NE2 GLN B 118 3.479 5.036 19.007 1.00 25.89 N ATOM 0 H GLN B 118 5.531 8.516 15.693 1.00 23.14 H new ATOM 0 HA GLN B 118 4.602 9.543 17.892 1.00 23.33 H new ATOM 0 HB2 GLN B 118 6.172 7.192 17.528 1.00 23.09 H new ATOM 0 HB3 GLN B 118 5.644 7.574 18.945 1.00 23.09 H new ATOM 0 HG2 GLN B 118 3.429 7.326 18.214 1.00 23.15 H new ATOM 0 HG3 GLN B 118 3.924 7.017 16.768 1.00 23.15 H new ATOM 0 HE21 GLN B 118 2.938 5.580 19.396 1.00 25.89 H new ATOM 0 HE22 GLN B 118 3.500 4.209 19.242 1.00 25.89 H new ATOM 3127 N LEU B 119 7.799 9.661 17.696 1.00 22.94 N ATOM 3128 CA LEU B 119 8.955 10.272 18.384 1.00 22.70 C ATOM 3129 C LEU B 119 8.868 11.787 18.360 1.00 23.34 C ATOM 3130 O LEU B 119 9.351 12.469 19.288 1.00 23.03 O ATOM 3131 CB LEU B 119 10.260 9.854 17.737 1.00 22.34 C ATOM 3132 CG LEU B 119 10.682 8.387 17.991 1.00 22.17 C ATOM 3133 CD1 LEU B 119 11.764 8.057 16.944 1.00 19.74 C ATOM 3134 CD2 LEU B 119 11.141 8.202 19.468 1.00 18.86 C ATOM 0 H LEU B 119 7.972 9.228 16.973 1.00 22.94 H new ATOM 0 HA LEU B 119 8.933 9.960 19.302 1.00 22.70 H new ATOM 0 HB2 LEU B 119 10.189 9.994 16.780 1.00 22.34 H new ATOM 0 HB3 LEU B 119 10.965 10.438 18.057 1.00 22.34 H new ATOM 0 HG LEU B 119 9.947 7.763 17.885 1.00 22.17 H new ATOM 0 HD11 LEU B 119 12.062 7.142 17.064 1.00 19.74 H new ATOM 0 HD12 LEU B 119 11.395 8.163 16.053 1.00 19.74 H new ATOM 0 HD13 LEU B 119 12.517 8.659 17.055 1.00 19.74 H new ATOM 0 HD21 LEU B 119 11.402 7.279 19.613 1.00 18.86 H new ATOM 0 HD22 LEU B 119 11.896 8.783 19.648 1.00 18.86 H new ATOM 0 HD23 LEU B 119 10.411 8.428 20.065 1.00 18.86 H new ATOM 3135 N LYS B 120 8.313 12.309 17.264 1.00 22.30 N ATOM 3136 CA LYS B 120 8.140 13.750 17.137 1.00 22.55 C ATOM 3137 C LYS B 120 6.975 14.273 17.974 1.00 23.03 C ATOM 3138 O LYS B 120 7.100 15.287 18.658 1.00 23.01 O ATOM 3139 CB LYS B 120 7.951 14.128 15.677 1.00 21.71 C ATOM 3140 CG LYS B 120 9.228 14.020 14.878 1.00 23.23 C ATOM 3141 CD LYS B 120 9.000 14.165 13.404 1.00 27.42 C ATOM 3142 CE LYS B 120 10.342 14.202 12.722 1.00 27.96 C ATOM 3143 NZ LYS B 120 10.220 13.670 11.387 1.00 33.19 N ATOM 0 H LYS B 120 8.034 11.850 16.593 1.00 22.30 H new ATOM 0 HA LYS B 120 8.946 14.167 17.478 1.00 22.55 H new ATOM 0 HB2 LYS B 120 7.277 13.553 15.282 1.00 21.71 H new ATOM 0 HB3 LYS B 120 7.616 15.037 15.623 1.00 21.71 H new ATOM 0 HG2 LYS B 120 9.850 14.703 15.174 1.00 23.23 H new ATOM 0 HG3 LYS B 120 9.644 13.162 15.055 1.00 23.23 H new ATOM 0 HD2 LYS B 120 8.471 13.424 13.069 1.00 27.42 H new ATOM 0 HD3 LYS B 120 8.503 14.977 13.217 1.00 27.42 H new ATOM 0 HE2 LYS B 120 10.673 15.113 12.688 1.00 27.96 H new ATOM 0 HE3 LYS B 120 10.987 13.684 13.229 1.00 27.96 H new ATOM 0 HZ1 LYS B 120 11.014 13.692 10.985 1.00 33.19 H new ATOM 0 HZ2 LYS B 120 9.932 12.829 11.428 1.00 33.19 H new ATOM 0 HZ3 LYS B 120 9.639 14.160 10.924 1.00 33.19 H new ATOM 3144 N ASN B 121 5.825 13.628 17.868 1.00 22.88 N ATOM 3145 CA ASN B 121 4.611 14.144 18.510 1.00 23.53 C ATOM 3146 C ASN B 121 4.270 13.574 19.868 1.00 23.64 C ATOM 3147 O ASN B 121 3.572 14.210 20.638 1.00 24.58 O ATOM 3148 CB ASN B 121 3.416 14.032 17.567 1.00 23.76 C ATOM 3149 CG ASN B 121 3.557 14.964 16.388 1.00 23.90 C ATOM 3150 OD1 ASN B 121 3.445 16.174 16.526 1.00 26.09 O ATOM 3151 ND2 ASN B 121 3.847 14.414 15.245 1.00 26.33 N ATOM 0 H ASN B 121 5.719 12.894 17.433 1.00 22.88 H new ATOM 0 HA ASN B 121 4.821 15.073 18.692 1.00 23.53 H new ATOM 0 HB2 ASN B 121 3.335 13.118 17.252 1.00 23.76 H new ATOM 0 HB3 ASN B 121 2.600 14.239 18.049 1.00 23.76 H new ATOM 0 HD21 ASN B 121 3.968 14.905 14.550 1.00 26.33 H new ATOM 0 HD22 ASN B 121 3.918 13.559 15.185 1.00 26.33 H new ATOM 3152 N ASP B 122 4.734 12.373 20.174 1.00 22.51 N ATOM 3153 CA ASP B 122 4.350 11.735 21.434 1.00 23.27 C ATOM 3154 C ASP B 122 5.605 11.051 21.985 1.00 22.56 C ATOM 3155 O ASP B 122 5.634 9.829 22.163 1.00 21.23 O ATOM 3156 CB ASP B 122 3.220 10.731 21.188 1.00 23.25 C ATOM 3157 CG ASP B 122 2.582 10.213 22.462 1.00 26.60 C ATOM 3158 OD1 ASP B 122 2.844 10.752 23.561 1.00 30.91 O ATOM 3159 OD2 ASP B 122 1.797 9.253 22.340 1.00 27.38 O ATOM 0 H ASP B 122 5.264 11.912 19.678 1.00 22.51 H new ATOM 0 HA ASP B 122 4.017 12.381 22.076 1.00 23.27 H new ATOM 0 HB2 ASP B 122 2.538 11.151 20.641 1.00 23.25 H new ATOM 0 HB3 ASP B 122 3.568 9.981 20.681 1.00 23.25 H new ATOM 3160 N PRO B 123 6.658 11.835 22.214 1.00 22.97 N ATOM 3161 CA PRO B 123 7.957 11.244 22.595 1.00 23.86 C ATOM 3162 C PRO B 123 7.919 10.477 23.923 1.00 24.21 C ATOM 3163 O PRO B 123 8.771 9.627 24.167 1.00 24.17 O ATOM 3164 CB PRO B 123 8.890 12.464 22.668 1.00 24.44 C ATOM 3165 CG PRO B 123 7.926 13.626 22.972 1.00 23.96 C ATOM 3166 CD PRO B 123 6.725 13.305 22.140 1.00 23.32 C ATOM 0 HA PRO B 123 8.246 10.571 21.959 1.00 23.86 H new ATOM 0 HB2 PRO B 123 9.559 12.362 23.363 1.00 24.44 H new ATOM 0 HB3 PRO B 123 9.366 12.602 21.834 1.00 24.44 H new ATOM 0 HG2 PRO B 123 7.706 13.671 23.916 1.00 23.96 H new ATOM 0 HG3 PRO B 123 8.311 14.483 22.729 1.00 23.96 H new ATOM 0 HD2 PRO B 123 5.922 13.720 22.492 1.00 23.32 H new ATOM 0 HD3 PRO B 123 6.827 13.615 21.227 1.00 23.32 H new ATOM 3167 N ASP B 124 6.947 10.769 24.782 1.00 24.33 N ATOM 3168 CA ASP B 124 6.791 9.982 26.003 1.00 24.48 C ATOM 3169 C ASP B 124 6.165 8.607 25.801 1.00 22.91 C ATOM 3170 O ASP B 124 6.141 7.825 26.732 1.00 23.16 O ATOM 3171 CB ASP B 124 5.952 10.721 27.075 1.00 25.68 C ATOM 3172 CG ASP B 124 6.507 12.091 27.428 1.00 30.78 C ATOM 3173 OD1 ASP B 124 7.746 12.250 27.558 1.00 34.16 O ATOM 3174 OD2 ASP B 124 5.680 13.022 27.574 1.00 37.31 O ATOM 0 H ASP B 124 6.377 11.405 24.681 1.00 24.33 H new ATOM 0 HA ASP B 124 7.706 9.859 26.302 1.00 24.48 H new ATOM 0 HB2 ASP B 124 5.042 10.820 26.754 1.00 25.68 H new ATOM 0 HB3 ASP B 124 5.912 10.178 27.878 1.00 25.68 H new ATOM 3175 N SER B 125 5.665 8.290 24.604 1.00 20.74 N ATOM 3176 CA SER B 125 4.899 7.057 24.438 1.00 20.12 C ATOM 3177 C SER B 125 5.728 5.848 24.898 1.00 19.51 C ATOM 3178 O SER B 125 6.893 5.787 24.593 1.00 18.44 O ATOM 3179 CB SER B 125 4.501 6.865 22.970 1.00 18.87 C ATOM 3180 OG SER B 125 3.857 5.604 22.795 1.00 20.92 O ATOM 0 H SER B 125 5.756 8.764 23.892 1.00 20.74 H new ATOM 0 HA SER B 125 4.098 7.125 24.980 1.00 20.12 H new ATOM 0 HB2 SER B 125 3.907 7.580 22.693 1.00 18.87 H new ATOM 0 HB3 SER B 125 5.288 6.915 22.405 1.00 18.87 H new ATOM 0 HG SER B 125 4.113 5.256 22.075 1.00 20.92 H new ATOM 3181 N ARG B 126 5.090 4.884 25.567 1.00 19.86 N ATOM 3182 CA ARG B 126 5.728 3.622 25.976 1.00 20.39 C ATOM 3183 C ARG B 126 5.425 2.539 24.965 1.00 19.57 C ATOM 3184 O ARG B 126 5.643 1.366 25.225 1.00 18.19 O ATOM 3185 CB ARG B 126 5.215 3.196 27.347 1.00 20.48 C ATOM 3186 CG ARG B 126 5.588 4.157 28.442 1.00 24.48 C ATOM 3187 CD ARG B 126 4.747 3.868 29.695 1.00 30.85 C ATOM 3188 NE ARG B 126 4.708 5.011 30.588 1.00 40.42 N ATOM 3189 CZ ARG B 126 3.623 5.436 31.226 1.00 43.10 C ATOM 3190 NH1 ARG B 126 2.449 4.833 31.049 1.00 43.96 N ATOM 3191 NH2 ARG B 126 3.716 6.496 32.016 1.00 46.44 N ATOM 0 H ARG B 126 4.264 4.943 25.800 1.00 19.86 H new ATOM 0 HA ARG B 126 6.687 3.759 26.023 1.00 20.39 H new ATOM 0 HB2 ARG B 126 4.249 3.112 27.313 1.00 20.48 H new ATOM 0 HB3 ARG B 126 5.569 2.318 27.560 1.00 20.48 H new ATOM 0 HG2 ARG B 126 6.532 4.074 28.649 1.00 24.48 H new ATOM 0 HG3 ARG B 126 5.442 5.069 28.147 1.00 24.48 H new ATOM 0 HD2 ARG B 126 3.844 3.631 29.432 1.00 30.85 H new ATOM 0 HD3 ARG B 126 5.116 3.103 30.164 1.00 30.85 H new ATOM 0 HE ARG B 126 5.440 5.445 30.713 1.00 40.42 H new ATOM 0 HH11 ARG B 126 2.387 4.160 30.517 1.00 43.96 H new ATOM 0 HH12 ARG B 126 1.753 5.116 31.467 1.00 43.96 H new ATOM 0 HH21 ARG B 126 4.471 6.898 32.109 1.00 46.44 H new ATOM 0 HH22 ARG B 126 3.022 6.782 32.435 1.00 46.44 H new ATOM 3192 N ARG B 127 4.903 2.937 23.805 1.00 19.85 N ATOM 3193 CA ARG B 127 4.621 1.946 22.738 1.00 20.85 C ATOM 3194 C ARG B 127 5.179 2.326 21.359 1.00 20.67 C ATOM 3195 O ARG B 127 4.524 2.082 20.325 1.00 21.51 O ATOM 3196 CB ARG B 127 3.117 1.605 22.651 1.00 21.28 C ATOM 3197 CG ARG B 127 2.182 2.780 22.534 1.00 24.35 C ATOM 3198 CD ARG B 127 1.094 2.412 21.520 1.00 31.11 C ATOM 3199 NE ARG B 127 1.775 2.044 20.272 1.00 34.26 N ATOM 3200 CZ ARG B 127 1.198 1.599 19.161 1.00 38.94 C ATOM 3201 NH1 ARG B 127 -0.138 1.436 19.092 1.00 37.43 N ATOM 3202 NH2 ARG B 127 1.979 1.323 18.112 1.00 37.11 N ATOM 0 H ARG B 127 4.706 3.751 23.609 1.00 19.85 H new ATOM 0 HA ARG B 127 5.103 1.149 23.008 1.00 20.85 H new ATOM 0 HB2 ARG B 127 2.978 1.026 21.885 1.00 21.28 H new ATOM 0 HB3 ARG B 127 2.872 1.096 23.440 1.00 21.28 H new ATOM 0 HG2 ARG B 127 1.788 2.988 23.395 1.00 24.35 H new ATOM 0 HG3 ARG B 127 2.664 3.570 22.244 1.00 24.35 H new ATOM 0 HD2 ARG B 127 0.556 1.674 21.847 1.00 31.11 H new ATOM 0 HD3 ARG B 127 0.493 3.160 21.375 1.00 31.11 H new ATOM 0 HE ARG B 127 2.631 2.124 20.259 1.00 34.26 H new ATOM 0 HH11 ARG B 127 -0.629 1.621 19.773 1.00 37.43 H new ATOM 0 HH12 ARG B 127 -0.499 1.147 18.367 1.00 37.43 H new ATOM 0 HH21 ARG B 127 2.830 1.435 18.168 1.00 37.11 H new ATOM 0 HH22 ARG B 127 1.631 1.034 17.381 1.00 37.11 H new ATOM 3203 N ILE B 128 6.393 2.882 21.349 1.00 19.25 N ATOM 3204 CA ILE B 128 7.070 3.235 20.096 1.00 19.48 C ATOM 3205 C ILE B 128 7.864 2.013 19.630 1.00 18.52 C ATOM 3206 O ILE B 128 9.034 1.813 19.987 1.00 18.95 O ATOM 3207 CB ILE B 128 7.959 4.491 20.236 1.00 18.96 C ATOM 3208 CG1 ILE B 128 7.197 5.659 20.864 1.00 19.06 C ATOM 3209 CG2 ILE B 128 8.526 4.879 18.867 1.00 18.83 C ATOM 3210 CD1 ILE B 128 8.116 6.883 21.259 1.00 20.45 C ATOM 0 H ILE B 128 6.843 3.064 22.059 1.00 19.25 H new ATOM 0 HA ILE B 128 6.409 3.472 19.427 1.00 19.48 H new ATOM 0 HB ILE B 128 8.692 4.278 20.834 1.00 18.96 H new ATOM 0 HG12 ILE B 128 6.518 5.963 20.242 1.00 19.06 H new ATOM 0 HG13 ILE B 128 6.735 5.344 21.656 1.00 19.06 H new ATOM 0 HG21 ILE B 128 9.083 5.668 18.959 1.00 18.83 H new ATOM 0 HG22 ILE B 128 9.058 4.147 18.517 1.00 18.83 H new ATOM 0 HG23 ILE B 128 7.797 5.069 18.256 1.00 18.83 H new ATOM 0 HD11 ILE B 128 7.571 7.584 21.649 1.00 20.45 H new ATOM 0 HD12 ILE B 128 8.781 6.594 21.904 1.00 20.45 H new ATOM 0 HD13 ILE B 128 8.561 7.223 20.467 1.00 20.45 H new ATOM 3211 N ILE B 129 7.203 1.168 18.850 1.00 17.24 N ATOM 3212 CA ILE B 129 7.713 -0.160 18.616 1.00 16.51 C ATOM 3213 C ILE B 129 7.660 -0.522 17.144 1.00 17.62 C ATOM 3214 O ILE B 129 6.704 -0.171 16.465 1.00 17.29 O ATOM 3215 CB ILE B 129 6.938 -1.191 19.439 1.00 17.36 C ATOM 3216 CG1 ILE B 129 7.357 -1.097 20.925 1.00 16.07 C ATOM 3217 CG2 ILE B 129 7.161 -2.638 18.919 1.00 18.41 C ATOM 3218 CD1 ILE B 129 6.454 -1.858 21.768 1.00 20.72 C ATOM 0 H ILE B 129 6.462 1.348 18.452 1.00 17.24 H new ATOM 0 HA ILE B 129 8.642 -0.169 18.896 1.00 16.51 H new ATOM 0 HB ILE B 129 5.994 -0.989 19.349 1.00 17.36 H new ATOM 0 HG12 ILE B 129 8.262 -1.430 21.031 1.00 16.07 H new ATOM 0 HG13 ILE B 129 7.362 -0.168 21.205 1.00 16.07 H new ATOM 0 HG21 ILE B 129 6.655 -3.260 19.465 1.00 18.41 H new ATOM 0 HG22 ILE B 129 6.863 -2.701 17.998 1.00 18.41 H new ATOM 0 HG23 ILE B 129 8.104 -2.858 18.969 1.00 18.41 H new ATOM 0 HD11 ILE B 129 6.736 -1.785 22.693 1.00 20.72 H new ATOM 0 HD12 ILE B 129 5.554 -1.509 21.676 1.00 20.72 H new ATOM 0 HD13 ILE B 129 6.468 -2.790 21.499 1.00 20.72 H new ATOM 3219 N VAL B 130 8.705 -1.188 16.666 1.00 17.89 N ATOM 3220 CA VAL B 130 8.690 -1.807 15.331 1.00 18.27 C ATOM 3221 C VAL B 130 8.854 -3.308 15.542 1.00 19.28 C ATOM 3222 O VAL B 130 9.734 -3.727 16.303 1.00 18.83 O ATOM 3223 CB VAL B 130 9.853 -1.255 14.444 1.00 18.71 C ATOM 3224 CG1 VAL B 130 9.884 -1.975 13.053 1.00 19.29 C ATOM 3225 CG2 VAL B 130 9.718 0.237 14.271 1.00 19.09 C ATOM 0 H VAL B 130 9.441 -1.297 17.098 1.00 17.89 H new ATOM 0 HA VAL B 130 7.861 -1.604 14.871 1.00 18.27 H new ATOM 0 HB VAL B 130 10.693 -1.437 14.893 1.00 18.71 H new ATOM 0 HG11 VAL B 130 10.611 -1.618 12.520 1.00 19.29 H new ATOM 0 HG12 VAL B 130 10.017 -2.927 13.184 1.00 19.29 H new ATOM 0 HG13 VAL B 130 9.043 -1.826 12.593 1.00 19.29 H new ATOM 0 HG21 VAL B 130 10.445 0.566 13.719 1.00 19.09 H new ATOM 0 HG22 VAL B 130 8.871 0.438 13.843 1.00 19.09 H new ATOM 0 HG23 VAL B 130 9.751 0.668 15.139 1.00 19.09 H new ATOM 3226 N SER B 131 8.004 -4.111 14.903 1.00 19.65 N ATOM 3227 CA SER B 131 8.113 -5.559 14.994 1.00 19.77 C ATOM 3228 C SER B 131 8.223 -6.147 13.608 1.00 19.58 C ATOM 3229 O SER B 131 7.460 -5.765 12.696 1.00 19.53 O ATOM 3230 CB SER B 131 6.902 -6.204 15.660 1.00 19.79 C ATOM 3231 OG SER B 131 7.123 -7.627 15.741 1.00 18.42 O ATOM 0 H SER B 131 7.356 -3.832 14.411 1.00 19.65 H new ATOM 0 HA SER B 131 8.900 -5.740 15.532 1.00 19.77 H new ATOM 0 HB2 SER B 131 6.768 -5.833 16.546 1.00 19.79 H new ATOM 0 HB3 SER B 131 6.098 -6.017 15.150 1.00 19.79 H new ATOM 0 HG SER B 131 6.419 -8.006 15.999 1.00 18.42 H new ATOM 3232 N ALA B 132 9.179 -7.052 13.451 1.00 18.37 N ATOM 3233 CA ALA B 132 9.287 -7.847 12.217 1.00 18.12 C ATOM 3234 C ALA B 132 8.629 -9.207 12.427 1.00 18.57 C ATOM 3235 O ALA B 132 8.570 -10.014 11.500 1.00 19.07 O ATOM 3236 CB ALA B 132 10.769 -8.014 11.805 1.00 18.52 C ATOM 0 H ALA B 132 9.779 -7.227 14.042 1.00 18.37 H new ATOM 0 HA ALA B 132 8.829 -7.382 11.499 1.00 18.12 H new ATOM 0 HB1 ALA B 132 10.822 -8.539 10.991 1.00 18.52 H new ATOM 0 HB2 ALA B 132 11.163 -7.141 11.652 1.00 18.52 H new ATOM 0 HB3 ALA B 132 11.253 -8.466 12.513 1.00 18.52 H new ATOM 3237 N TRP B 133 8.192 -9.484 13.667 1.00 18.24 N ATOM 3238 CA TRP B 133 7.701 -10.824 13.996 1.00 18.68 C ATOM 3239 C TRP B 133 6.227 -10.921 13.575 1.00 18.56 C ATOM 3240 O TRP B 133 5.312 -10.883 14.390 1.00 18.96 O ATOM 3241 CB TRP B 133 7.913 -11.199 15.474 1.00 18.63 C ATOM 3242 CG TRP B 133 7.754 -12.700 15.645 1.00 20.04 C ATOM 3243 CD1 TRP B 133 6.640 -13.373 16.066 1.00 17.55 C ATOM 3244 CD2 TRP B 133 8.756 -13.690 15.394 1.00 20.35 C ATOM 3245 NE1 TRP B 133 6.893 -14.737 16.072 1.00 17.40 N ATOM 3246 CE2 TRP B 133 8.174 -14.957 15.656 1.00 20.70 C ATOM 3247 CE3 TRP B 133 10.082 -13.635 14.924 1.00 19.27 C ATOM 3248 CZ2 TRP B 133 8.882 -16.163 15.477 1.00 18.55 C ATOM 3249 CZ3 TRP B 133 10.798 -14.826 14.785 1.00 18.99 C ATOM 3250 CH2 TRP B 133 10.192 -16.072 15.034 1.00 18.73 C ATOM 0 H TRP B 133 8.173 -8.920 14.316 1.00 18.24 H new ATOM 0 HA TRP B 133 8.222 -11.476 13.502 1.00 18.68 H new ATOM 0 HB2 TRP B 133 8.796 -10.923 15.764 1.00 18.63 H new ATOM 0 HB3 TRP B 133 7.272 -10.731 16.031 1.00 18.63 H new ATOM 0 HD1 TRP B 133 5.835 -12.976 16.311 1.00 17.55 H new ATOM 0 HE1 TRP B 133 6.332 -15.347 16.301 1.00 17.40 H new ATOM 0 HE3 TRP B 133 10.474 -12.820 14.710 1.00 19.27 H new ATOM 0 HZ2 TRP B 133 8.486 -16.987 15.649 1.00 18.55 H new ATOM 0 HZ3 TRP B 133 11.690 -14.795 14.524 1.00 18.99 H new ATOM 0 HH2 TRP B 133 10.681 -16.851 14.898 1.00 18.73 H new ATOM 3251 N ASN B 134 6.014 -11.053 12.274 1.00 18.55 N ATOM 3252 CA ASN B 134 4.674 -11.216 11.753 1.00 19.44 C ATOM 3253 C ASN B 134 4.377 -12.703 11.675 1.00 19.73 C ATOM 3254 O ASN B 134 4.772 -13.375 10.726 1.00 19.73 O ATOM 3255 CB ASN B 134 4.570 -10.534 10.379 1.00 19.02 C ATOM 3256 CG ASN B 134 3.131 -10.424 9.885 1.00 21.60 C ATOM 3257 OD1 ASN B 134 2.271 -11.335 10.334 1.00 23.11 O flip ATOM 3258 ND2 ASN B 134 2.810 -9.534 9.086 1.00 16.98 N flip ATOM 0 H ASN B 134 6.634 -11.050 11.678 1.00 18.55 H new ATOM 0 HA ASN B 134 4.018 -10.797 12.332 1.00 19.44 H new ATOM 0 HB2 ASN B 134 4.959 -9.647 10.432 1.00 19.02 H new ATOM 0 HB3 ASN B 134 5.093 -11.035 9.733 1.00 19.02 H new ATOM 0 HD21 ASN B 134 3.396 -8.964 8.820 1.00 16.98 H new ATOM 0 HD22 ASN B 134 2.001 -9.486 8.798 1.00 16.98 H new ATOM 3259 N VAL B 135 3.706 -13.206 12.715 1.00 18.82 N ATOM 3260 CA VAL B 135 3.410 -14.615 12.871 1.00 20.39 C ATOM 3261 C VAL B 135 2.714 -15.210 11.633 1.00 21.40 C ATOM 3262 O VAL B 135 3.065 -16.298 11.191 1.00 20.79 O ATOM 3263 CB VAL B 135 2.541 -14.827 14.123 1.00 20.31 C ATOM 3264 CG1 VAL B 135 2.165 -16.310 14.307 1.00 21.96 C ATOM 3265 CG2 VAL B 135 3.255 -14.234 15.378 1.00 19.82 C ATOM 0 H VAL B 135 3.408 -12.720 13.359 1.00 18.82 H new ATOM 0 HA VAL B 135 4.254 -15.081 12.973 1.00 20.39 H new ATOM 0 HB VAL B 135 1.705 -14.349 14.005 1.00 20.31 H new ATOM 0 HG11 VAL B 135 1.619 -16.409 15.103 1.00 21.96 H new ATOM 0 HG12 VAL B 135 1.667 -16.616 13.533 1.00 21.96 H new ATOM 0 HG13 VAL B 135 2.972 -16.839 14.401 1.00 21.96 H new ATOM 0 HG21 VAL B 135 2.700 -14.372 16.162 1.00 19.82 H new ATOM 0 HG22 VAL B 135 4.109 -14.677 15.504 1.00 19.82 H new ATOM 0 HG23 VAL B 135 3.400 -13.284 15.249 1.00 19.82 H new ATOM 3266 N GLY B 136 1.761 -14.455 11.096 1.00 22.86 N ATOM 3267 CA GLY B 136 0.970 -14.858 9.925 1.00 23.84 C ATOM 3268 C GLY B 136 1.729 -14.891 8.612 1.00 24.70 C ATOM 3269 O GLY B 136 1.209 -15.414 7.633 1.00 24.50 O ATOM 0 H GLY B 136 1.549 -13.680 11.403 1.00 22.86 H new ATOM 0 HA2 GLY B 136 0.600 -15.739 10.090 1.00 23.84 H new ATOM 0 HA3 GLY B 136 0.221 -14.249 9.834 1.00 23.84 H new ATOM 3270 N GLU B 137 2.956 -14.362 8.584 1.00 24.35 N ATOM 3271 CA GLU B 137 3.803 -14.436 7.383 1.00 24.06 C ATOM 3272 C GLU B 137 5.158 -15.156 7.514 1.00 23.88 C ATOM 3273 O GLU B 137 5.913 -15.235 6.547 1.00 22.83 O ATOM 3274 CB GLU B 137 4.009 -13.055 6.804 1.00 24.82 C ATOM 3275 CG GLU B 137 2.704 -12.401 6.363 1.00 26.85 C ATOM 3276 CD GLU B 137 2.909 -11.468 5.210 1.00 28.45 C ATOM 3277 OE1 GLU B 137 3.756 -10.575 5.334 1.00 27.59 O ATOM 3278 OE2 GLU B 137 2.218 -11.628 4.177 1.00 30.21 O ATOM 0 H GLU B 137 3.318 -13.955 9.249 1.00 24.35 H new ATOM 0 HA GLU B 137 3.295 -15.008 6.786 1.00 24.06 H new ATOM 0 HB2 GLU B 137 4.441 -12.492 7.465 1.00 24.82 H new ATOM 0 HB3 GLU B 137 4.610 -13.113 6.045 1.00 24.82 H new ATOM 0 HG2 GLU B 137 2.067 -13.088 6.113 1.00 26.85 H new ATOM 0 HG3 GLU B 137 2.319 -11.914 7.108 1.00 26.85 H new ATOM 3279 N LEU B 138 5.447 -15.703 8.694 1.00 25.11 N ATOM 3280 CA LEU B 138 6.699 -16.419 8.939 1.00 25.51 C ATOM 3281 C LEU B 138 6.974 -17.513 7.904 1.00 26.70 C ATOM 3282 O LEU B 138 8.102 -17.667 7.435 1.00 26.51 O ATOM 3283 CB LEU B 138 6.628 -17.073 10.323 1.00 25.79 C ATOM 3284 CG LEU B 138 7.304 -16.453 11.555 1.00 26.85 C ATOM 3285 CD1 LEU B 138 7.858 -15.045 11.429 1.00 25.55 C ATOM 3286 CD2 LEU B 138 6.476 -16.651 12.835 1.00 25.49 C ATOM 0 H LEU B 138 4.923 -15.670 9.375 1.00 25.11 H new ATOM 0 HA LEU B 138 7.418 -15.770 8.880 1.00 25.51 H new ATOM 0 HB2 LEU B 138 5.687 -17.168 10.539 1.00 25.79 H new ATOM 0 HB3 LEU B 138 6.989 -17.968 10.228 1.00 25.79 H new ATOM 0 HG LEU B 138 8.118 -16.976 11.625 1.00 26.85 H new ATOM 0 HD11 LEU B 138 8.255 -14.776 12.272 1.00 25.55 H new ATOM 0 HD12 LEU B 138 8.533 -15.024 10.733 1.00 25.55 H new ATOM 0 HD13 LEU B 138 7.140 -14.434 11.201 1.00 25.55 H new ATOM 0 HD21 LEU B 138 6.938 -16.246 13.585 1.00 25.49 H new ATOM 0 HD22 LEU B 138 5.607 -16.233 12.727 1.00 25.49 H new ATOM 0 HD23 LEU B 138 6.359 -17.599 13.002 1.00 25.49 H new ATOM 3287 N ASP B 139 5.942 -18.282 7.571 1.00 27.24 N ATOM 3288 CA ASP B 139 6.082 -19.395 6.651 1.00 29.39 C ATOM 3289 C ASP B 139 6.316 -18.926 5.213 1.00 28.60 C ATOM 3290 O ASP B 139 6.565 -19.748 4.346 1.00 28.75 O ATOM 3291 CB ASP B 139 4.874 -20.347 6.729 1.00 30.86 C ATOM 3292 CG ASP B 139 3.567 -19.706 6.271 1.00 35.43 C ATOM 3293 OD1 ASP B 139 3.496 -18.452 6.105 1.00 40.28 O ATOM 3294 OD2 ASP B 139 2.582 -20.481 6.088 1.00 42.56 O ATOM 0 H ASP B 139 5.145 -18.171 7.873 1.00 27.24 H new ATOM 0 HA ASP B 139 6.870 -19.888 6.927 1.00 29.39 H new ATOM 0 HB2 ASP B 139 5.051 -21.129 6.184 1.00 30.86 H new ATOM 0 HB3 ASP B 139 4.772 -20.656 7.643 1.00 30.86 H new ATOM 3295 N LYS B 140 6.253 -17.609 4.991 1.00 27.72 N ATOM 3296 CA LYS B 140 6.549 -17.014 3.686 1.00 27.15 C ATOM 3297 C LYS B 140 7.978 -16.470 3.587 1.00 27.18 C ATOM 3298 O LYS B 140 8.477 -16.200 2.483 1.00 26.89 O ATOM 3299 CB LYS B 140 5.543 -15.907 3.357 1.00 27.77 C ATOM 3300 CG LYS B 140 4.117 -16.428 3.278 1.00 30.13 C ATOM 3301 CD LYS B 140 3.172 -15.377 2.795 1.00 37.47 C ATOM 3302 CE LYS B 140 1.803 -16.001 2.527 1.00 42.05 C ATOM 3303 NZ LYS B 140 0.866 -14.988 1.922 1.00 45.29 N ATOM 0 H LYS B 140 6.037 -17.036 5.595 1.00 27.72 H new ATOM 0 HA LYS B 140 6.471 -17.729 3.035 1.00 27.15 H new ATOM 0 HB2 LYS B 140 5.595 -15.214 4.034 1.00 27.77 H new ATOM 0 HB3 LYS B 140 5.782 -15.496 2.512 1.00 27.77 H new ATOM 0 HG2 LYS B 140 4.084 -17.192 2.682 1.00 30.13 H new ATOM 0 HG3 LYS B 140 3.837 -16.739 4.153 1.00 30.13 H new ATOM 0 HD2 LYS B 140 3.092 -14.672 3.457 1.00 37.47 H new ATOM 0 HD3 LYS B 140 3.515 -14.968 1.985 1.00 37.47 H new ATOM 0 HE2 LYS B 140 1.899 -16.758 1.928 1.00 42.05 H new ATOM 0 HE3 LYS B 140 1.429 -16.340 3.355 1.00 42.05 H new ATOM 0 HZ1 LYS B 140 0.075 -15.367 1.773 1.00 45.29 H new ATOM 0 HZ2 LYS B 140 0.766 -14.304 2.483 1.00 45.29 H new ATOM 0 HZ3 LYS B 140 1.203 -14.693 1.153 1.00 45.29 H new ATOM 3304 N MET B 141 8.631 -16.300 4.734 1.00 26.15 N ATOM 3305 CA MET B 141 9.983 -15.742 4.791 1.00 25.50 C ATOM 3306 C MET B 141 11.082 -16.752 4.573 1.00 25.96 C ATOM 3307 O MET B 141 10.980 -17.878 5.035 1.00 26.78 O ATOM 3308 CB MET B 141 10.217 -15.099 6.161 1.00 25.24 C ATOM 3309 CG MET B 141 9.196 -14.060 6.507 1.00 25.00 C ATOM 3310 SD MET B 141 9.537 -13.445 8.174 1.00 24.83 S ATOM 3311 CE MET B 141 8.083 -12.440 8.476 1.00 23.80 C ATOM 0 H MET B 141 8.304 -16.505 5.502 1.00 26.15 H new ATOM 0 HA MET B 141 10.026 -15.099 4.066 1.00 25.50 H new ATOM 0 HB2 MET B 141 10.210 -15.790 6.842 1.00 25.24 H new ATOM 0 HB3 MET B 141 11.099 -14.695 6.176 1.00 25.24 H new ATOM 0 HG2 MET B 141 9.227 -13.332 5.867 1.00 25.00 H new ATOM 0 HG3 MET B 141 8.304 -14.438 6.464 1.00 25.00 H new ATOM 0 HE1 MET B 141 8.332 -11.657 8.992 1.00 23.80 H new ATOM 0 HE2 MET B 141 7.701 -12.161 7.629 1.00 23.80 H new ATOM 0 HE3 MET B 141 7.429 -12.958 8.971 1.00 23.80 H new ATOM 3312 N ALA B 142 12.168 -16.328 3.922 1.00 26.46 N ATOM 3313 CA ALA B 142 13.335 -17.199 3.749 1.00 26.92 C ATOM 3314 C ALA B 142 13.801 -17.644 5.122 1.00 28.33 C ATOM 3315 O ALA B 142 14.122 -18.807 5.324 1.00 29.10 O ATOM 3316 CB ALA B 142 14.453 -16.471 3.017 1.00 27.04 C ATOM 0 H ALA B 142 12.249 -15.545 3.575 1.00 26.46 H new ATOM 0 HA ALA B 142 13.092 -17.970 3.213 1.00 26.92 H new ATOM 0 HB1 ALA B 142 15.213 -17.065 2.914 1.00 27.04 H new ATOM 0 HB2 ALA B 142 14.140 -16.193 2.142 1.00 27.04 H new ATOM 0 HB3 ALA B 142 14.720 -15.691 3.528 1.00 27.04 H new ATOM 3317 N LEU B 143 13.767 -16.722 6.081 1.00 28.01 N ATOM 3318 CA LEU B 143 14.165 -17.037 7.438 1.00 28.28 C ATOM 3319 C LEU B 143 13.329 -16.199 8.407 1.00 26.31 C ATOM 3320 O LEU B 143 13.073 -15.030 8.133 1.00 25.87 O ATOM 3321 CB LEU B 143 15.666 -16.722 7.565 1.00 29.47 C ATOM 3322 CG LEU B 143 16.236 -16.182 8.872 1.00 34.38 C ATOM 3323 CD1 LEU B 143 17.530 -16.854 9.226 1.00 37.00 C ATOM 3324 CD2 LEU B 143 16.426 -14.655 8.778 1.00 41.57 C ATOM 0 H LEU B 143 13.515 -15.908 5.961 1.00 28.01 H new ATOM 0 HA LEU B 143 14.016 -17.972 7.651 1.00 28.28 H new ATOM 0 HB2 LEU B 143 16.148 -17.538 7.358 1.00 29.47 H new ATOM 0 HB3 LEU B 143 15.883 -16.080 6.871 1.00 29.47 H new ATOM 0 HG LEU B 143 15.602 -16.377 9.579 1.00 34.38 H new ATOM 0 HD11 LEU B 143 17.866 -16.490 10.060 1.00 37.00 H new ATOM 0 HD12 LEU B 143 17.383 -17.808 9.326 1.00 37.00 H new ATOM 0 HD13 LEU B 143 18.178 -16.700 8.521 1.00 37.00 H new ATOM 0 HD21 LEU B 143 16.789 -14.322 9.614 1.00 41.57 H new ATOM 0 HD22 LEU B 143 17.039 -14.449 8.055 1.00 41.57 H new ATOM 0 HD23 LEU B 143 15.570 -14.232 8.606 1.00 41.57 H new ATOM 3325 N ALA B 144 12.934 -16.780 9.544 1.00 24.75 N ATOM 3326 CA ALA B 144 12.184 -16.018 10.554 1.00 24.85 C ATOM 3327 C ALA B 144 13.119 -14.950 11.136 1.00 23.83 C ATOM 3328 O ALA B 144 14.323 -15.217 11.302 1.00 24.21 O ATOM 3329 CB ALA B 144 11.631 -16.920 11.652 1.00 24.25 C ATOM 0 H ALA B 144 13.086 -17.601 9.749 1.00 24.75 H new ATOM 0 HA ALA B 144 11.416 -15.598 10.135 1.00 24.85 H new ATOM 0 HB1 ALA B 144 11.144 -16.384 12.297 1.00 24.25 H new ATOM 0 HB2 ALA B 144 11.033 -17.576 11.261 1.00 24.25 H new ATOM 0 HB3 ALA B 144 12.363 -17.375 12.097 1.00 24.25 H new ATOM 3330 N PRO B 145 12.596 -13.740 11.419 1.00 23.71 N ATOM 3331 CA PRO B 145 13.513 -12.655 11.816 1.00 23.66 C ATOM 3332 C PRO B 145 14.357 -12.995 13.038 1.00 23.47 C ATOM 3333 O PRO B 145 13.827 -13.557 13.986 1.00 22.48 O ATOM 3334 CB PRO B 145 12.566 -11.511 12.159 1.00 23.94 C ATOM 3335 CG PRO B 145 11.316 -11.801 11.350 1.00 24.75 C ATOM 3336 CD PRO B 145 11.192 -13.292 11.381 1.00 23.80 C ATOM 0 HA PRO B 145 14.152 -12.462 11.113 1.00 23.66 H new ATOM 0 HB2 PRO B 145 12.374 -11.484 13.109 1.00 23.94 H new ATOM 0 HB3 PRO B 145 12.949 -10.652 11.922 1.00 23.94 H new ATOM 0 HG2 PRO B 145 10.537 -11.373 11.737 1.00 24.75 H new ATOM 0 HG3 PRO B 145 11.398 -11.472 10.441 1.00 24.75 H new ATOM 0 HD2 PRO B 145 10.697 -13.595 12.158 1.00 23.80 H new ATOM 0 HD3 PRO B 145 10.728 -13.630 10.599 1.00 23.80 H new ATOM 3337 N CYS B 146 15.653 -12.668 13.051 1.00 23.27 N ATOM 3338 CA CYS B 146 16.409 -12.877 14.298 1.00 24.91 C ATOM 3339 C CYS B 146 16.351 -11.639 15.140 1.00 23.88 C ATOM 3340 O CYS B 146 16.088 -11.705 16.336 1.00 24.38 O ATOM 3341 CB CYS B 146 17.871 -13.294 14.072 1.00 25.12 C ATOM 3342 SG CYS B 146 17.953 -14.702 12.922 1.00 35.59 S ATOM 0 H CYS B 146 16.096 -12.342 12.390 1.00 23.27 H new ATOM 0 HA CYS B 146 15.984 -13.618 14.757 1.00 24.91 H new ATOM 0 HB2 CYS B 146 18.376 -12.547 13.715 1.00 25.12 H new ATOM 0 HB3 CYS B 146 18.280 -13.535 14.918 1.00 25.12 H new ATOM 0 HG CYS B 146 19.099 -15.015 12.753 1.00 35.59 H new ATOM 3343 N HIS B 147 16.603 -10.492 14.528 1.00 23.40 N ATOM 3344 CA HIS B 147 16.372 -9.263 15.260 1.00 23.13 C ATOM 3345 C HIS B 147 14.867 -8.961 15.140 1.00 23.12 C ATOM 3346 O HIS B 147 14.439 -8.456 14.129 1.00 23.68 O ATOM 3347 CB HIS B 147 17.326 -8.122 14.835 1.00 22.74 C ATOM 3348 CG HIS B 147 17.468 -7.882 13.358 1.00 22.98 C ATOM 3349 ND1 HIS B 147 16.950 -6.912 12.567 1.00 26.49 N flip ATOM 3350 CD2 HIS B 147 18.357 -8.578 12.569 1.00 23.12 C flip ATOM 3351 CE1 HIS B 147 17.496 -7.067 11.317 1.00 20.90 C flip ATOM 3352 NE2 HIS B 147 18.324 -8.098 11.338 1.00 25.55 N flip ATOM 0 H HIS B 147 16.896 -10.404 13.724 1.00 23.40 H new ATOM 0 HA HIS B 147 16.593 -9.357 16.200 1.00 23.13 H new ATOM 0 HB2 HIS B 147 17.019 -7.300 15.248 1.00 22.74 H new ATOM 0 HB3 HIS B 147 18.206 -8.311 15.198 1.00 22.74 H new ATOM 0 HD2 HIS B 147 18.897 -9.278 12.858 1.00 23.12 H new ATOM 0 HE1 HIS B 147 17.314 -6.534 10.577 1.00 20.90 H new ATOM 0 HE2 HIS B 147 18.765 -8.404 10.666 1.00 25.55 H new ATOM 3353 N ALA B 148 14.078 -9.324 16.160 1.00 21.58 N ATOM 3354 CA ALA B 148 12.615 -9.572 15.922 1.00 21.83 C ATOM 3355 C ALA B 148 11.736 -8.335 16.106 1.00 21.24 C ATOM 3356 O ALA B 148 10.704 -8.156 15.423 1.00 21.26 O ATOM 3357 CB ALA B 148 12.109 -10.666 16.831 1.00 21.23 C ATOM 0 H ALA B 148 14.342 -9.433 16.971 1.00 21.58 H new ATOM 0 HA ALA B 148 12.548 -9.836 14.991 1.00 21.83 H new ATOM 0 HB1 ALA B 148 11.165 -10.814 16.665 1.00 21.23 H new ATOM 0 HB2 ALA B 148 12.599 -11.485 16.657 1.00 21.23 H new ATOM 0 HB3 ALA B 148 12.237 -10.404 17.756 1.00 21.23 H new ATOM 3358 N PHE B 149 12.113 -7.518 17.077 1.00 20.02 N ATOM 3359 CA PHE B 149 11.422 -6.251 17.282 1.00 20.11 C ATOM 3360 C PHE B 149 12.228 -5.335 18.183 1.00 19.33 C ATOM 3361 O PHE B 149 13.116 -5.769 18.929 1.00 18.48 O ATOM 3362 CB PHE B 149 10.040 -6.433 17.887 1.00 21.85 C ATOM 3363 CG PHE B 149 10.070 -6.858 19.324 1.00 22.83 C ATOM 3364 CD1 PHE B 149 10.271 -8.173 19.646 1.00 26.69 C ATOM 3365 CD2 PHE B 149 9.890 -5.926 20.343 1.00 24.56 C ATOM 3366 CE1 PHE B 149 10.309 -8.609 20.989 1.00 26.49 C ATOM 3367 CE2 PHE B 149 9.939 -6.323 21.663 1.00 30.52 C ATOM 3368 CZ PHE B 149 10.136 -7.683 21.992 1.00 27.16 C ATOM 0 H PHE B 149 12.758 -7.673 17.624 1.00 20.02 H new ATOM 0 HA PHE B 149 11.323 -5.853 16.403 1.00 20.11 H new ATOM 0 HB2 PHE B 149 9.550 -5.599 17.814 1.00 21.85 H new ATOM 0 HB3 PHE B 149 9.553 -7.095 17.371 1.00 21.85 H new ATOM 0 HD1 PHE B 149 10.385 -8.795 18.964 1.00 26.69 H new ATOM 0 HD2 PHE B 149 9.736 -5.033 20.133 1.00 24.56 H new ATOM 0 HE1 PHE B 149 10.448 -9.506 21.192 1.00 26.49 H new ATOM 0 HE2 PHE B 149 9.842 -5.693 22.340 1.00 30.52 H new ATOM 0 HZ PHE B 149 10.149 -7.951 22.882 1.00 27.16 H new ATOM 3369 N PHE B 150 11.850 -4.066 18.138 1.00 17.86 N ATOM 3370 CA PHE B 150 12.638 -3.051 18.852 1.00 17.98 C ATOM 3371 C PHE B 150 11.750 -1.918 19.289 1.00 17.82 C ATOM 3372 O PHE B 150 10.667 -1.648 18.703 1.00 17.56 O ATOM 3373 CB PHE B 150 13.888 -2.587 18.053 1.00 16.71 C ATOM 3374 CG PHE B 150 13.607 -2.102 16.619 1.00 17.16 C ATOM 3375 CD1 PHE B 150 13.391 -3.025 15.563 1.00 19.14 C ATOM 3376 CD2 PHE B 150 13.635 -0.741 16.300 1.00 18.22 C ATOM 3377 CE1 PHE B 150 13.166 -2.575 14.274 1.00 18.24 C ATOM 3378 CE2 PHE B 150 13.431 -0.295 14.934 1.00 19.06 C ATOM 3379 CZ PHE B 150 13.186 -1.220 13.970 1.00 18.64 C ATOM 0 H PHE B 150 11.162 -3.770 17.715 1.00 17.86 H new ATOM 0 HA PHE B 150 13.002 -3.459 19.653 1.00 17.98 H new ATOM 0 HB2 PHE B 150 14.319 -1.869 18.543 1.00 16.71 H new ATOM 0 HB3 PHE B 150 14.519 -3.322 18.012 1.00 16.71 H new ATOM 0 HD1 PHE B 150 13.401 -3.938 15.738 1.00 19.14 H new ATOM 0 HD2 PHE B 150 13.786 -0.115 16.971 1.00 18.22 H new ATOM 0 HE1 PHE B 150 12.998 -3.192 13.598 1.00 18.24 H new ATOM 0 HE2 PHE B 150 13.467 0.610 14.722 1.00 19.06 H new ATOM 0 HZ PHE B 150 13.030 -0.943 13.096 1.00 18.64 H new ATOM 3380 N GLN B 151 12.175 -1.275 20.372 1.00 17.62 N ATOM 3381 CA GLN B 151 11.352 -0.264 20.976 1.00 16.95 C ATOM 3382 C GLN B 151 12.180 0.980 21.190 1.00 18.19 C ATOM 3383 O GLN B 151 13.316 0.882 21.667 1.00 17.83 O ATOM 3384 CB GLN B 151 10.875 -0.756 22.329 1.00 17.94 C ATOM 3385 CG GLN B 151 9.974 0.269 23.042 1.00 16.26 C ATOM 3386 CD GLN B 151 9.549 -0.176 24.414 1.00 15.89 C ATOM 3387 OE1 GLN B 151 9.907 -1.268 24.867 1.00 14.90 O ATOM 3388 NE2 GLN B 151 8.727 0.633 25.056 1.00 17.69 N ATOM 0 H GLN B 151 12.929 -1.414 20.761 1.00 17.62 H new ATOM 0 HA GLN B 151 10.595 -0.073 20.400 1.00 16.95 H new ATOM 0 HB2 GLN B 151 10.388 -1.587 22.215 1.00 17.94 H new ATOM 0 HB3 GLN B 151 11.643 -0.952 22.888 1.00 17.94 H new ATOM 0 HG2 GLN B 151 10.447 1.113 23.113 1.00 16.26 H new ATOM 0 HG3 GLN B 151 9.185 0.430 22.501 1.00 16.26 H new ATOM 0 HE21 GLN B 151 8.503 1.385 24.705 1.00 17.69 H new ATOM 0 HE22 GLN B 151 8.416 0.408 25.825 1.00 17.69 H new ATOM 3389 N PHE B 152 11.607 2.139 20.874 1.00 17.52 N ATOM 3390 CA PHE B 152 12.301 3.393 21.112 1.00 17.89 C ATOM 3391 C PHE B 152 11.777 4.063 22.369 1.00 17.41 C ATOM 3392 O PHE B 152 10.695 3.766 22.840 1.00 17.45 O ATOM 3393 CB PHE B 152 12.140 4.362 19.924 1.00 17.05 C ATOM 3394 CG PHE B 152 12.822 3.905 18.663 1.00 18.46 C ATOM 3395 CD1 PHE B 152 14.159 4.185 18.444 1.00 14.82 C ATOM 3396 CD2 PHE B 152 12.101 3.212 17.680 1.00 20.55 C ATOM 3397 CE1 PHE B 152 14.793 3.780 17.258 1.00 19.22 C ATOM 3398 CE2 PHE B 152 12.717 2.788 16.478 1.00 19.38 C ATOM 3399 CZ PHE B 152 14.056 3.067 16.267 1.00 20.09 C ATOM 0 H PHE B 152 10.825 2.217 20.525 1.00 17.52 H new ATOM 0 HA PHE B 152 13.242 3.183 21.220 1.00 17.89 H new ATOM 0 HB2 PHE B 152 11.195 4.483 19.743 1.00 17.05 H new ATOM 0 HB3 PHE B 152 12.494 5.229 20.176 1.00 17.05 H new ATOM 0 HD1 PHE B 152 14.644 4.647 19.090 1.00 14.82 H new ATOM 0 HD2 PHE B 152 11.200 3.027 17.820 1.00 20.55 H new ATOM 0 HE1 PHE B 152 15.691 3.976 17.119 1.00 19.22 H new ATOM 0 HE2 PHE B 152 12.227 2.327 15.836 1.00 19.38 H new ATOM 0 HZ PHE B 152 14.473 2.791 15.483 1.00 20.09 H new ATOM 3400 N TYR B 153 12.560 4.993 22.893 1.00 17.73 N ATOM 3401 CA TYR B 153 12.244 5.659 24.165 1.00 18.60 C ATOM 3402 C TYR B 153 12.901 7.026 24.118 1.00 18.63 C ATOM 3403 O TYR B 153 13.997 7.152 23.587 1.00 18.31 O ATOM 3404 CB TYR B 153 12.899 4.844 25.272 1.00 19.19 C ATOM 3405 CG TYR B 153 12.945 5.411 26.681 1.00 20.21 C ATOM 3406 CD1 TYR B 153 14.010 6.199 27.102 1.00 18.95 C ATOM 3407 CD2 TYR B 153 11.950 5.087 27.612 1.00 20.93 C ATOM 3408 CE1 TYR B 153 14.063 6.664 28.442 1.00 17.95 C ATOM 3409 CE2 TYR B 153 12.000 5.531 28.923 1.00 21.68 C ATOM 3410 CZ TYR B 153 13.070 6.324 29.325 1.00 18.27 C ATOM 3411 OH TYR B 153 13.133 6.750 30.618 1.00 22.05 O ATOM 0 H TYR B 153 13.291 5.261 22.528 1.00 17.73 H new ATOM 0 HA TYR B 153 11.289 5.736 24.315 1.00 18.60 H new ATOM 0 HB2 TYR B 153 12.441 3.990 25.316 1.00 19.19 H new ATOM 0 HB3 TYR B 153 13.812 4.663 25.000 1.00 19.19 H new ATOM 0 HD1 TYR B 153 14.688 6.422 26.506 1.00 18.95 H new ATOM 0 HD2 TYR B 153 11.234 4.558 27.342 1.00 20.93 H new ATOM 0 HE1 TYR B 153 14.771 7.199 28.721 1.00 17.95 H new ATOM 0 HE2 TYR B 153 11.329 5.303 29.525 1.00 21.68 H new ATOM 0 HH TYR B 153 12.477 6.446 31.046 1.00 22.05 H new ATOM 3412 N VAL B 154 12.255 8.033 24.694 1.00 19.41 N ATOM 3413 CA VAL B 154 12.845 9.385 24.712 1.00 20.80 C ATOM 3414 C VAL B 154 12.778 9.887 26.154 1.00 22.69 C ATOM 3415 O VAL B 154 11.724 9.780 26.797 1.00 22.41 O ATOM 3416 CB VAL B 154 12.095 10.384 23.765 1.00 20.80 C ATOM 3417 CG1 VAL B 154 12.832 11.743 23.728 1.00 20.12 C ATOM 3418 CG2 VAL B 154 11.989 9.842 22.357 1.00 20.30 C ATOM 0 H VAL B 154 11.487 7.966 25.076 1.00 19.41 H new ATOM 0 HA VAL B 154 13.758 9.336 24.388 1.00 20.80 H new ATOM 0 HB VAL B 154 11.200 10.502 24.120 1.00 20.80 H new ATOM 0 HG11 VAL B 154 12.359 12.352 23.139 1.00 20.12 H new ATOM 0 HG12 VAL B 154 12.865 12.118 24.622 1.00 20.12 H new ATOM 0 HG13 VAL B 154 13.735 11.613 23.399 1.00 20.12 H new ATOM 0 HG21 VAL B 154 11.521 10.482 21.798 1.00 20.30 H new ATOM 0 HG22 VAL B 154 12.878 9.691 22.000 1.00 20.30 H new ATOM 0 HG23 VAL B 154 11.499 9.005 22.368 1.00 20.30 H new ATOM 3419 N ALA B 155 13.913 10.364 26.656 1.00 24.76 N ATOM 3420 CA ALA B 155 13.975 11.050 27.932 1.00 27.34 C ATOM 3421 C ALA B 155 15.071 12.113 27.861 1.00 28.40 C ATOM 3422 O ALA B 155 16.149 11.889 27.308 1.00 28.88 O ATOM 3423 CB ALA B 155 14.231 10.071 29.080 1.00 27.70 C ATOM 0 H ALA B 155 14.673 10.296 26.259 1.00 24.76 H new ATOM 0 HA ALA B 155 13.121 11.474 28.111 1.00 27.34 H new ATOM 0 HB1 ALA B 155 14.267 10.557 29.918 1.00 27.70 H new ATOM 0 HB2 ALA B 155 13.514 9.419 29.116 1.00 27.70 H new ATOM 0 HB3 ALA B 155 15.075 9.615 28.935 1.00 27.70 H new ATOM 3424 N ASP B 156 14.773 13.290 28.400 1.00 30.86 N ATOM 3425 CA ASP B 156 15.754 14.387 28.485 1.00 31.73 C ATOM 3426 C ASP B 156 16.402 14.657 27.144 1.00 30.84 C ATOM 3427 O ASP B 156 17.635 14.759 27.044 1.00 31.18 O ATOM 3428 CB ASP B 156 16.848 14.048 29.502 1.00 32.88 C ATOM 3429 CG ASP B 156 16.284 13.808 30.898 1.00 37.14 C ATOM 3430 OD1 ASP B 156 15.504 14.666 31.363 1.00 41.41 O ATOM 3431 OD2 ASP B 156 16.608 12.758 31.507 1.00 41.60 O ATOM 0 H ASP B 156 14.001 13.482 28.728 1.00 30.86 H new ATOM 0 HA ASP B 156 15.273 15.181 28.767 1.00 31.73 H new ATOM 0 HB2 ASP B 156 17.326 13.257 29.208 1.00 32.88 H new ATOM 0 HB3 ASP B 156 17.492 14.773 29.535 1.00 32.88 H new ATOM 3432 N GLY B 157 15.574 14.707 26.115 1.00 30.24 N ATOM 3433 CA GLY B 157 16.063 14.985 24.767 1.00 29.91 C ATOM 3434 C GLY B 157 16.880 13.909 24.071 1.00 29.06 C ATOM 3435 O GLY B 157 17.396 14.157 22.976 1.00 29.09 O ATOM 0 H GLY B 157 14.725 14.584 26.171 1.00 30.24 H new ATOM 0 HA2 GLY B 157 15.296 15.185 24.208 1.00 29.91 H new ATOM 0 HA3 GLY B 157 16.603 15.790 24.806 1.00 29.91 H new ATOM 3436 N LYS B 158 17.010 12.724 24.693 1.00 27.12 N ATOM 3437 CA LYS B 158 17.844 11.655 24.142 1.00 24.88 C ATOM 3438 C LYS B 158 17.011 10.477 23.662 1.00 21.92 C ATOM 3439 O LYS B 158 16.078 10.037 24.332 1.00 20.47 O ATOM 3440 CB LYS B 158 18.828 11.110 25.174 1.00 25.56 C ATOM 3441 CG LYS B 158 19.899 12.098 25.591 1.00 30.11 C ATOM 3442 CD LYS B 158 20.955 11.399 26.394 1.00 32.23 C ATOM 3443 CE LYS B 158 20.329 10.763 27.600 1.00 36.46 C ATOM 3444 NZ LYS B 158 21.236 10.929 28.760 1.00 36.50 N ATOM 0 H LYS B 158 16.621 12.525 25.434 1.00 27.12 H new ATOM 0 HA LYS B 158 18.320 12.059 23.400 1.00 24.88 H new ATOM 0 HB2 LYS B 158 18.335 10.831 25.961 1.00 25.56 H new ATOM 0 HB3 LYS B 158 19.256 10.318 24.812 1.00 25.56 H new ATOM 0 HG2 LYS B 158 20.296 12.507 24.806 1.00 30.11 H new ATOM 0 HG3 LYS B 158 19.504 12.813 26.114 1.00 30.11 H new ATOM 0 HD2 LYS B 158 21.394 10.725 25.852 1.00 32.23 H new ATOM 0 HD3 LYS B 158 21.638 12.031 26.668 1.00 32.23 H new ATOM 0 HE2 LYS B 158 19.469 11.172 27.786 1.00 36.46 H new ATOM 0 HE3 LYS B 158 20.165 9.821 27.435 1.00 36.46 H new ATOM 0 HZ1 LYS B 158 20.870 10.554 29.479 1.00 36.50 H new ATOM 0 HZ2 LYS B 158 22.016 10.537 28.586 1.00 36.50 H new ATOM 0 HZ3 LYS B 158 21.367 11.796 28.913 1.00 36.50 H new ATOM 3445 N LEU B 159 17.384 9.948 22.515 1.00 21.72 N ATOM 3446 CA LEU B 159 16.660 8.822 21.945 1.00 19.37 C ATOM 3447 C LEU B 159 17.377 7.525 22.307 1.00 19.49 C ATOM 3448 O LEU B 159 18.543 7.343 21.958 1.00 19.25 O ATOM 3449 CB LEU B 159 16.603 8.966 20.417 1.00 20.34 C ATOM 3450 CG LEU B 159 15.971 7.755 19.733 1.00 17.82 C ATOM 3451 CD1 LEU B 159 14.513 7.690 20.105 1.00 18.51 C ATOM 3452 CD2 LEU B 159 16.126 7.939 18.227 1.00 17.63 C ATOM 0 H LEU B 159 18.052 10.222 22.048 1.00 21.72 H new ATOM 0 HA LEU B 159 15.757 8.805 22.300 1.00 19.37 H new ATOM 0 HB2 LEU B 159 16.097 9.762 20.190 1.00 20.34 H new ATOM 0 HB3 LEU B 159 17.501 9.094 20.074 1.00 20.34 H new ATOM 0 HG LEU B 159 16.400 6.930 20.010 1.00 17.82 H new ATOM 0 HD11 LEU B 159 14.103 6.923 19.675 1.00 18.51 H new ATOM 0 HD12 LEU B 159 14.428 7.604 21.067 1.00 18.51 H new ATOM 0 HD13 LEU B 159 14.068 8.501 19.813 1.00 18.51 H new ATOM 0 HD21 LEU B 159 15.732 7.182 17.766 1.00 17.63 H new ATOM 0 HD22 LEU B 159 15.677 8.754 17.952 1.00 17.63 H new ATOM 0 HD23 LEU B 159 17.068 7.999 18.003 1.00 17.63 H new ATOM 3453 N SER B 160 16.669 6.588 22.942 1.00 18.93 N ATOM 3454 CA SER B 160 17.220 5.239 23.140 1.00 18.64 C ATOM 3455 C SER B 160 16.405 4.217 22.345 1.00 18.81 C ATOM 3456 O SER B 160 15.302 4.513 21.896 1.00 19.17 O ATOM 3457 CB SER B 160 17.229 4.857 24.621 1.00 19.10 C ATOM 3458 OG SER B 160 18.101 5.734 25.342 1.00 19.42 O ATOM 0 H SER B 160 15.880 6.707 23.262 1.00 18.93 H new ATOM 0 HA SER B 160 18.136 5.239 22.821 1.00 18.64 H new ATOM 0 HB2 SER B 160 16.331 4.911 24.983 1.00 19.10 H new ATOM 0 HB3 SER B 160 17.522 3.938 24.725 1.00 19.10 H new ATOM 0 HG SER B 160 17.671 6.409 25.597 1.00 19.42 H new ATOM 3459 N CYS B 161 16.968 3.027 22.177 1.00 18.30 N ATOM 3460 CA CYS B 161 16.310 1.934 21.456 1.00 17.95 C ATOM 3461 C CYS B 161 16.755 0.598 22.061 1.00 18.33 C ATOM 3462 O CYS B 161 17.965 0.408 22.404 1.00 18.83 O ATOM 3463 CB CYS B 161 16.726 2.006 19.982 1.00 17.74 C ATOM 3464 SG CYS B 161 16.114 0.623 18.973 1.00 19.68 S ATOM 0 H CYS B 161 17.748 2.826 22.479 1.00 18.30 H new ATOM 0 HA CYS B 161 15.346 2.009 21.527 1.00 17.95 H new ATOM 0 HB2 CYS B 161 16.402 2.838 19.604 1.00 17.74 H new ATOM 0 HB3 CYS B 161 17.694 2.029 19.929 1.00 17.74 H new ATOM 0 HG CYS B 161 16.483 0.760 17.839 1.00 19.68 H new ATOM 3465 N GLN B 162 15.804 -0.321 22.225 1.00 16.31 N ATOM 3466 CA GLN B 162 16.109 -1.632 22.704 1.00 16.98 C ATOM 3467 C GLN B 162 15.675 -2.614 21.635 1.00 17.39 C ATOM 3468 O GLN B 162 14.551 -2.532 21.114 1.00 16.81 O ATOM 3469 CB GLN B 162 15.398 -1.953 24.039 1.00 16.52 C ATOM 3470 CG GLN B 162 15.671 -3.387 24.545 1.00 16.54 C ATOM 3471 CD GLN B 162 15.249 -3.596 26.003 1.00 17.57 C ATOM 3472 OE1 GLN B 162 15.765 -4.640 26.589 1.00 19.83 O flip ATOM 3473 NE2 GLN B 162 14.457 -2.828 26.586 1.00 16.14 N flip ATOM 0 H GLN B 162 14.971 -0.187 22.058 1.00 16.31 H new ATOM 0 HA GLN B 162 17.061 -1.693 22.880 1.00 16.98 H new ATOM 0 HB2 GLN B 162 15.687 -1.318 24.713 1.00 16.52 H new ATOM 0 HB3 GLN B 162 14.442 -1.833 23.927 1.00 16.52 H new ATOM 0 HG2 GLN B 162 15.197 -4.019 23.982 1.00 16.54 H new ATOM 0 HG3 GLN B 162 16.617 -3.582 24.456 1.00 16.54 H new ATOM 0 HE21 GLN B 162 14.134 -2.147 26.171 1.00 16.14 H new ATOM 0 HE22 GLN B 162 14.234 -2.979 27.403 1.00 16.14 H new ATOM 3474 N LEU B 163 16.581 -3.536 21.334 1.00 17.00 N ATOM 3475 CA LEU B 163 16.294 -4.604 20.398 1.00 16.90 C ATOM 3476 C LEU B 163 16.140 -5.905 21.147 1.00 17.58 C ATOM 3477 O LEU B 163 16.943 -6.201 22.059 1.00 15.56 O ATOM 3478 CB LEU B 163 17.460 -4.737 19.427 1.00 17.55 C ATOM 3479 CG LEU B 163 17.448 -6.000 18.561 1.00 16.44 C ATOM 3480 CD1 LEU B 163 16.287 -5.920 17.517 1.00 16.57 C ATOM 3481 CD2 LEU B 163 18.811 -6.173 17.912 1.00 16.70 C ATOM 0 H LEU B 163 17.374 -3.557 21.666 1.00 17.00 H new ATOM 0 HA LEU B 163 15.475 -4.402 19.918 1.00 16.90 H new ATOM 0 HB2 LEU B 163 17.466 -3.962 18.843 1.00 17.55 H new ATOM 0 HB3 LEU B 163 18.287 -4.717 19.933 1.00 17.55 H new ATOM 0 HG LEU B 163 17.281 -6.785 19.106 1.00 16.44 H new ATOM 0 HD11 LEU B 163 16.285 -6.723 16.972 1.00 16.57 H new ATOM 0 HD12 LEU B 163 15.439 -5.843 17.981 1.00 16.57 H new ATOM 0 HD13 LEU B 163 16.415 -5.144 16.949 1.00 16.57 H new ATOM 0 HD21 LEU B 163 18.809 -6.972 17.362 1.00 16.70 H new ATOM 0 HD22 LEU B 163 19.006 -5.401 17.359 1.00 16.70 H new ATOM 0 HD23 LEU B 163 19.489 -6.257 18.600 1.00 16.70 H new ATOM 3482 N TYR B 164 15.118 -6.689 20.761 1.00 17.23 N ATOM 3483 CA TYR B 164 15.028 -8.068 21.205 1.00 17.56 C ATOM 3484 C TYR B 164 15.500 -8.954 20.057 1.00 18.27 C ATOM 3485 O TYR B 164 14.849 -9.012 18.972 1.00 17.48 O ATOM 3486 CB TYR B 164 13.607 -8.435 21.621 1.00 17.69 C ATOM 3487 CG TYR B 164 13.547 -9.825 22.211 1.00 18.21 C ATOM 3488 CD1 TYR B 164 13.622 -9.985 23.599 1.00 18.12 C ATOM 3489 CD2 TYR B 164 13.502 -10.976 21.393 1.00 15.44 C ATOM 3490 CE1 TYR B 164 13.631 -11.216 24.176 1.00 21.22 C ATOM 3491 CE2 TYR B 164 13.535 -12.258 21.987 1.00 14.67 C ATOM 3492 CZ TYR B 164 13.567 -12.340 23.378 1.00 18.64 C ATOM 3493 OH TYR B 164 13.565 -13.553 24.015 1.00 20.04 O ATOM 0 H TYR B 164 14.478 -6.433 20.247 1.00 17.23 H new ATOM 0 HA TYR B 164 15.586 -8.196 21.988 1.00 17.56 H new ATOM 0 HB2 TYR B 164 13.282 -7.792 22.270 1.00 17.69 H new ATOM 0 HB3 TYR B 164 13.019 -8.383 20.851 1.00 17.69 H new ATOM 0 HD1 TYR B 164 13.667 -9.230 24.141 1.00 18.12 H new ATOM 0 HD2 TYR B 164 13.451 -10.891 20.468 1.00 15.44 H new ATOM 0 HE1 TYR B 164 13.680 -11.300 25.101 1.00 21.22 H new ATOM 0 HE2 TYR B 164 13.535 -13.027 21.463 1.00 14.67 H new ATOM 0 HH TYR B 164 13.667 -14.166 23.450 1.00 20.04 H new ATOM 3494 N GLN B 165 16.593 -9.657 20.292 1.00 17.02 N ATOM 3495 CA GLN B 165 17.170 -10.531 19.274 1.00 18.37 C ATOM 3496 C GLN B 165 16.907 -11.968 19.707 1.00 18.57 C ATOM 3497 O GLN B 165 17.515 -12.461 20.659 1.00 17.86 O ATOM 3498 CB GLN B 165 18.666 -10.256 19.074 1.00 18.89 C ATOM 3499 CG GLN B 165 19.189 -11.109 17.936 1.00 20.14 C ATOM 3500 CD GLN B 165 20.433 -10.556 17.323 1.00 20.70 C ATOM 3501 OE1 GLN B 165 20.878 -9.448 17.642 1.00 26.54 O ATOM 3502 NE2 GLN B 165 21.032 -11.336 16.449 1.00 28.35 N ATOM 0 H GLN B 165 17.022 -9.645 21.037 1.00 17.02 H new ATOM 0 HA GLN B 165 16.757 -10.363 18.412 1.00 18.37 H new ATOM 0 HB2 GLN B 165 18.809 -9.317 18.879 1.00 18.89 H new ATOM 0 HB3 GLN B 165 19.153 -10.454 19.889 1.00 18.89 H new ATOM 0 HG2 GLN B 165 19.365 -12.005 18.263 1.00 20.14 H new ATOM 0 HG3 GLN B 165 18.504 -11.186 17.254 1.00 20.14 H new ATOM 0 HE21 GLN B 165 20.692 -12.101 16.252 1.00 28.35 H new ATOM 0 HE22 GLN B 165 21.763 -11.081 16.075 1.00 28.35 H new ATOM 3503 N ARG B 166 15.963 -12.635 19.042 1.00 18.36 N ATOM 3504 CA ARG B 166 15.556 -13.952 19.516 1.00 17.90 C ATOM 3505 C ARG B 166 16.626 -15.050 19.329 1.00 18.20 C ATOM 3506 O ARG B 166 16.621 -16.084 20.029 1.00 17.18 O ATOM 3507 CB ARG B 166 14.226 -14.352 18.859 1.00 19.65 C ATOM 3508 CG ARG B 166 14.357 -14.449 17.333 1.00 21.57 C ATOM 3509 CD ARG B 166 14.396 -15.882 16.868 1.00 21.78 C ATOM 3510 NE ARG B 166 14.531 -15.940 15.417 1.00 23.17 N ATOM 3511 CZ ARG B 166 14.940 -17.006 14.767 1.00 22.34 C ATOM 3512 NH1 ARG B 166 15.062 -16.968 13.439 1.00 19.21 N ATOM 3513 NH2 ARG B 166 15.246 -18.098 15.471 1.00 21.73 N ATOM 0 H ARG B 166 15.559 -12.352 18.337 1.00 18.36 H new ATOM 0 HA ARG B 166 15.439 -13.878 20.476 1.00 17.90 H new ATOM 0 HB2 ARG B 166 13.932 -15.206 19.214 1.00 19.65 H new ATOM 0 HB3 ARG B 166 13.544 -13.701 19.085 1.00 19.65 H new ATOM 0 HG2 ARG B 166 13.611 -13.993 16.914 1.00 21.57 H new ATOM 0 HG3 ARG B 166 15.164 -13.994 17.047 1.00 21.57 H new ATOM 0 HD2 ARG B 166 15.139 -16.344 17.287 1.00 21.78 H new ATOM 0 HD3 ARG B 166 13.586 -16.340 17.142 1.00 21.78 H new ATOM 0 HE ARG B 166 14.332 -15.238 14.962 1.00 23.17 H new ATOM 0 HH11 ARG B 166 14.873 -16.247 13.010 1.00 19.21 H new ATOM 0 HH12 ARG B 166 15.330 -17.665 13.012 1.00 19.21 H new ATOM 0 HH21 ARG B 166 15.173 -18.092 16.328 1.00 21.73 H new ATOM 0 HH22 ARG B 166 15.516 -18.808 15.068 1.00 21.73 H new ATOM 3514 N SER B 167 17.547 -14.842 18.389 1.00 18.33 N ATOM 3515 CA SER B 167 18.579 -15.814 18.131 1.00 19.65 C ATOM 3516 C SER B 167 19.778 -15.010 17.718 1.00 20.46 C ATOM 3517 O SER B 167 19.665 -14.081 16.914 1.00 19.36 O ATOM 3518 CB SER B 167 18.156 -16.755 16.987 1.00 20.59 C ATOM 3519 OG SER B 167 19.199 -17.661 16.704 1.00 22.01 O ATOM 0 H SER B 167 17.583 -14.140 17.894 1.00 18.33 H new ATOM 0 HA SER B 167 18.757 -16.368 18.907 1.00 19.65 H new ATOM 0 HB2 SER B 167 17.354 -17.240 17.236 1.00 20.59 H new ATOM 0 HB3 SER B 167 17.941 -16.238 16.195 1.00 20.59 H new ATOM 0 HG SER B 167 18.964 -18.173 16.081 1.00 22.01 H new ATOM 3520 N CYS B 168 20.929 -15.351 18.271 1.00 21.38 N ATOM 3521 CA CYS B 168 22.096 -14.547 18.054 1.00 21.82 C ATOM 3522 C CYS B 168 23.338 -15.415 17.870 1.00 21.25 C ATOM 3523 O CYS B 168 23.688 -16.186 18.748 1.00 22.44 O ATOM 3524 CB CYS B 168 22.256 -13.626 19.261 1.00 22.35 C ATOM 3525 SG CYS B 168 23.763 -12.684 19.196 1.00 25.42 S ATOM 0 H CYS B 168 21.048 -16.041 18.771 1.00 21.38 H new ATOM 0 HA CYS B 168 21.993 -14.027 17.242 1.00 21.82 H new ATOM 0 HB2 CYS B 168 21.500 -13.020 19.305 1.00 22.35 H new ATOM 0 HB3 CYS B 168 22.243 -14.156 20.073 1.00 22.35 H new ATOM 0 HG CYS B 168 23.670 -11.729 19.917 1.00 25.42 H new ATOM 3526 N ASP B 169 24.011 -15.278 16.736 1.00 21.47 N ATOM 3527 CA ASP B 169 25.340 -15.875 16.544 1.00 22.11 C ATOM 3528 C ASP B 169 26.315 -14.844 17.120 1.00 21.52 C ATOM 3529 O ASP B 169 26.509 -13.781 16.535 1.00 20.44 O ATOM 3530 CB ASP B 169 25.580 -16.106 15.056 1.00 23.43 C ATOM 3531 CG ASP B 169 27.039 -16.483 14.736 1.00 25.77 C ATOM 3532 OD1 ASP B 169 27.961 -16.357 15.594 1.00 25.38 O ATOM 3533 OD2 ASP B 169 27.253 -16.956 13.621 1.00 32.17 O ATOM 0 H ASP B 169 23.718 -14.840 16.056 1.00 21.47 H new ATOM 0 HA ASP B 169 25.442 -16.736 16.979 1.00 22.11 H new ATOM 0 HB2 ASP B 169 24.992 -16.812 14.744 1.00 23.43 H new ATOM 0 HB3 ASP B 169 25.343 -15.303 14.566 1.00 23.43 H new ATOM 3534 N VAL B 170 26.888 -15.136 18.286 1.00 20.32 N ATOM 3535 CA VAL B 170 27.685 -14.133 18.998 1.00 20.29 C ATOM 3536 C VAL B 170 28.921 -13.679 18.230 1.00 19.28 C ATOM 3537 O VAL B 170 29.269 -12.484 18.207 1.00 19.30 O ATOM 3538 CB VAL B 170 28.055 -14.635 20.424 1.00 20.14 C ATOM 3539 CG1 VAL B 170 29.008 -13.640 21.135 1.00 21.26 C ATOM 3540 CG2 VAL B 170 26.755 -14.861 21.247 1.00 20.59 C ATOM 0 H VAL B 170 26.830 -15.898 18.680 1.00 20.32 H new ATOM 0 HA VAL B 170 27.124 -13.346 19.080 1.00 20.29 H new ATOM 0 HB VAL B 170 28.528 -15.479 20.350 1.00 20.14 H new ATOM 0 HG11 VAL B 170 29.224 -13.974 22.020 1.00 21.26 H new ATOM 0 HG12 VAL B 170 29.823 -13.547 20.618 1.00 21.26 H new ATOM 0 HG13 VAL B 170 28.574 -12.776 21.213 1.00 21.26 H new ATOM 0 HG21 VAL B 170 26.985 -15.174 22.136 1.00 20.59 H new ATOM 0 HG22 VAL B 170 26.266 -14.026 21.315 1.00 20.59 H new ATOM 0 HG23 VAL B 170 26.203 -15.524 20.804 1.00 20.59 H new ATOM 3541 N PHE B 171 29.599 -14.632 17.610 1.00 19.29 N ATOM 3542 CA PHE B 171 30.837 -14.314 16.942 1.00 19.41 C ATOM 3543 C PHE B 171 30.636 -13.547 15.640 1.00 20.28 C ATOM 3544 O PHE B 171 31.201 -12.475 15.465 1.00 19.77 O ATOM 3545 CB PHE B 171 31.729 -15.540 16.721 1.00 19.24 C ATOM 3546 CG PHE B 171 33.014 -15.193 15.983 1.00 18.72 C ATOM 3547 CD1 PHE B 171 33.154 -15.495 14.641 1.00 19.79 C ATOM 3548 CD2 PHE B 171 34.032 -14.479 16.613 1.00 20.27 C ATOM 3549 CE1 PHE B 171 34.330 -15.112 13.921 1.00 19.79 C ATOM 3550 CE2 PHE B 171 35.210 -14.121 15.898 1.00 18.11 C ATOM 3551 CZ PHE B 171 35.334 -14.443 14.551 1.00 21.59 C ATOM 0 H PHE B 171 29.360 -15.457 17.567 1.00 19.29 H new ATOM 0 HA PHE B 171 31.303 -13.723 17.553 1.00 19.41 H new ATOM 0 HB2 PHE B 171 31.948 -15.937 17.579 1.00 19.24 H new ATOM 0 HB3 PHE B 171 31.239 -16.208 16.216 1.00 19.24 H new ATOM 0 HD1 PHE B 171 32.475 -15.953 14.200 1.00 19.79 H new ATOM 0 HD2 PHE B 171 33.941 -14.235 17.506 1.00 20.27 H new ATOM 0 HE1 PHE B 171 34.409 -15.321 13.018 1.00 19.79 H new ATOM 0 HE2 PHE B 171 35.898 -13.671 16.333 1.00 18.11 H new ATOM 0 HZ PHE B 171 36.100 -14.202 14.082 1.00 21.59 H new ATOM 3552 N LEU B 172 29.816 -14.094 14.752 1.00 20.85 N ATOM 3553 CA LEU B 172 29.669 -13.535 13.407 1.00 23.38 C ATOM 3554 C LEU B 172 28.565 -12.505 13.324 1.00 22.27 C ATOM 3555 O LEU B 172 28.733 -11.451 12.712 1.00 24.21 O ATOM 3556 CB LEU B 172 29.345 -14.661 12.427 1.00 23.59 C ATOM 3557 CG LEU B 172 30.216 -14.872 11.186 1.00 27.92 C ATOM 3558 CD1 LEU B 172 31.689 -14.820 11.539 1.00 28.07 C ATOM 3559 CD2 LEU B 172 29.841 -16.249 10.582 1.00 25.79 C ATOM 0 H LEU B 172 29.334 -14.790 14.905 1.00 20.85 H new ATOM 0 HA LEU B 172 30.507 -13.099 13.186 1.00 23.38 H new ATOM 0 HB2 LEU B 172 29.353 -15.491 12.929 1.00 23.59 H new ATOM 0 HB3 LEU B 172 28.435 -14.523 12.120 1.00 23.59 H new ATOM 0 HG LEU B 172 30.057 -14.165 10.541 1.00 27.92 H new ATOM 0 HD11 LEU B 172 32.219 -14.956 10.738 1.00 28.07 H new ATOM 0 HD12 LEU B 172 31.900 -13.954 11.922 1.00 28.07 H new ATOM 0 HD13 LEU B 172 31.892 -15.516 12.183 1.00 28.07 H new ATOM 0 HD21 LEU B 172 30.378 -16.413 9.791 1.00 25.79 H new ATOM 0 HD22 LEU B 172 30.008 -16.946 11.236 1.00 25.79 H new ATOM 0 HD23 LEU B 172 28.901 -16.252 10.341 1.00 25.79 H new ATOM 3560 N GLY B 173 27.424 -12.815 13.928 1.00 21.27 N ATOM 3561 CA GLY B 173 26.215 -12.003 13.740 1.00 20.45 C ATOM 3562 C GLY B 173 26.150 -10.758 14.587 1.00 20.15 C ATOM 3563 O GLY B 173 25.830 -9.663 14.097 1.00 19.19 O ATOM 0 H GLY B 173 27.323 -13.490 14.451 1.00 21.27 H new ATOM 0 HA2 GLY B 173 26.155 -11.747 12.806 1.00 20.45 H new ATOM 0 HA3 GLY B 173 25.439 -12.552 13.934 1.00 20.45 H new ATOM 3564 N LEU B 174 26.486 -10.895 15.868 1.00 17.86 N ATOM 3565 CA LEU B 174 26.202 -9.816 16.821 1.00 17.34 C ATOM 3566 C LEU B 174 26.950 -8.496 16.566 1.00 17.57 C ATOM 3567 O LEU B 174 26.352 -7.449 16.724 1.00 18.33 O ATOM 3568 CB LEU B 174 26.416 -10.283 18.269 1.00 17.18 C ATOM 3569 CG LEU B 174 26.154 -9.276 19.376 1.00 15.08 C ATOM 3570 CD1 LEU B 174 24.715 -8.813 19.338 1.00 18.03 C ATOM 3571 CD2 LEU B 174 26.410 -9.997 20.726 1.00 17.00 C ATOM 0 H LEU B 174 26.871 -11.587 16.203 1.00 17.86 H new ATOM 0 HA LEU B 174 25.266 -9.609 16.676 1.00 17.34 H new ATOM 0 HB2 LEU B 174 25.846 -11.052 18.423 1.00 17.18 H new ATOM 0 HB3 LEU B 174 27.333 -10.588 18.353 1.00 17.18 H new ATOM 0 HG LEU B 174 26.731 -8.504 19.267 1.00 15.08 H new ATOM 0 HD11 LEU B 174 24.562 -8.171 20.049 1.00 18.03 H new ATOM 0 HD12 LEU B 174 24.532 -8.396 18.482 1.00 18.03 H new ATOM 0 HD13 LEU B 174 24.127 -9.575 19.458 1.00 18.03 H new ATOM 0 HD21 LEU B 174 26.251 -9.380 21.458 1.00 17.00 H new ATOM 0 HD22 LEU B 174 25.810 -10.755 20.807 1.00 17.00 H new ATOM 0 HD23 LEU B 174 27.329 -10.307 20.758 1.00 17.00 H new ATOM 3572 N PRO B 175 28.252 -8.528 16.221 1.00 17.92 N ATOM 3573 CA PRO B 175 28.919 -7.233 15.984 1.00 17.82 C ATOM 3574 C PRO B 175 28.206 -6.436 14.869 1.00 17.61 C ATOM 3575 O PRO B 175 28.066 -5.195 14.960 1.00 17.07 O ATOM 3576 CB PRO B 175 30.326 -7.650 15.536 1.00 18.19 C ATOM 3577 CG PRO B 175 30.564 -8.957 16.243 1.00 17.71 C ATOM 3578 CD PRO B 175 29.198 -9.650 16.068 1.00 18.00 C ATOM 0 HA PRO B 175 28.916 -6.655 16.763 1.00 17.82 H new ATOM 0 HB2 PRO B 175 30.375 -7.754 14.573 1.00 18.19 H new ATOM 0 HB3 PRO B 175 30.989 -6.987 15.784 1.00 18.19 H new ATOM 0 HG2 PRO B 175 31.286 -9.465 15.840 1.00 17.71 H new ATOM 0 HG3 PRO B 175 30.793 -8.831 17.177 1.00 17.71 H new ATOM 0 HD2 PRO B 175 29.117 -10.075 15.200 1.00 18.00 H new ATOM 0 HD3 PRO B 175 29.054 -10.338 16.736 1.00 18.00 H new ATOM 3579 N PHE B 176 27.738 -7.163 13.867 1.00 18.08 N ATOM 3580 CA PHE B 176 26.970 -6.614 12.755 1.00 19.38 C ATOM 3581 C PHE B 176 25.631 -6.033 13.258 1.00 19.79 C ATOM 3582 O PHE B 176 25.290 -4.873 12.955 1.00 19.98 O ATOM 3583 CB PHE B 176 26.775 -7.749 11.716 1.00 21.38 C ATOM 3584 CG PHE B 176 26.436 -7.276 10.318 1.00 21.01 C ATOM 3585 CD1 PHE B 176 25.169 -6.744 10.042 1.00 27.11 C ATOM 3586 CD2 PHE B 176 27.371 -7.386 9.290 1.00 25.60 C ATOM 3587 CE1 PHE B 176 24.837 -6.321 8.738 1.00 26.05 C ATOM 3588 CE2 PHE B 176 27.056 -6.979 7.983 1.00 24.73 C ATOM 3589 CZ PHE B 176 25.780 -6.434 7.722 1.00 23.67 C ATOM 0 H PHE B 176 27.860 -8.012 13.811 1.00 18.08 H new ATOM 0 HA PHE B 176 27.440 -5.877 12.334 1.00 19.38 H new ATOM 0 HB2 PHE B 176 27.587 -8.278 11.677 1.00 21.38 H new ATOM 0 HB3 PHE B 176 26.068 -8.336 12.026 1.00 21.38 H new ATOM 0 HD1 PHE B 176 24.542 -6.669 10.725 1.00 27.11 H new ATOM 0 HD2 PHE B 176 28.214 -7.733 9.472 1.00 25.60 H new ATOM 0 HE1 PHE B 176 23.995 -5.970 8.559 1.00 26.05 H new ATOM 0 HE2 PHE B 176 27.680 -7.067 7.299 1.00 24.73 H new ATOM 0 HZ PHE B 176 25.568 -6.148 6.863 1.00 23.67 H new ATOM 3590 N ASN B 177 24.865 -6.812 14.018 1.00 19.70 N ATOM 3591 CA ASN B 177 23.546 -6.351 14.556 1.00 20.42 C ATOM 3592 C ASN B 177 23.662 -5.104 15.428 1.00 19.38 C ATOM 3593 O ASN B 177 22.832 -4.203 15.381 1.00 18.04 O ATOM 3594 CB ASN B 177 22.908 -7.449 15.411 1.00 21.80 C ATOM 3595 CG ASN B 177 22.513 -8.680 14.599 1.00 29.19 C ATOM 3596 OD1 ASN B 177 22.894 -9.868 15.086 1.00 37.10 O flip ATOM 3597 ND2 ASN B 177 21.886 -8.564 13.538 1.00 31.68 N flip ATOM 0 H ASN B 177 25.076 -7.615 14.243 1.00 19.70 H new ATOM 0 HA ASN B 177 23.002 -6.142 13.780 1.00 20.42 H new ATOM 0 HB2 ASN B 177 23.530 -7.712 16.107 1.00 21.80 H new ATOM 0 HB3 ASN B 177 22.121 -7.093 15.853 1.00 21.80 H new ATOM 0 HD21 ASN B 177 21.658 -7.784 13.256 1.00 31.68 H new ATOM 0 HD22 ASN B 177 21.678 -9.263 13.083 1.00 31.68 H new ATOM 3598 N ILE B 178 24.684 -5.086 16.271 1.00 17.65 N ATOM 3599 CA ILE B 178 24.870 -3.944 17.175 1.00 17.15 C ATOM 3600 C ILE B 178 25.116 -2.654 16.402 1.00 16.72 C ATOM 3601 O ILE B 178 24.490 -1.634 16.692 1.00 17.54 O ATOM 3602 CB ILE B 178 26.025 -4.153 18.146 1.00 17.46 C ATOM 3603 CG1 ILE B 178 25.721 -5.304 19.103 1.00 17.38 C ATOM 3604 CG2 ILE B 178 26.297 -2.849 18.932 1.00 17.37 C ATOM 3605 CD1 ILE B 178 26.943 -5.735 19.919 1.00 18.80 C ATOM 0 H ILE B 178 25.274 -5.708 16.341 1.00 17.65 H new ATOM 0 HA ILE B 178 24.045 -3.873 17.680 1.00 17.15 H new ATOM 0 HB ILE B 178 26.820 -4.384 17.640 1.00 17.46 H new ATOM 0 HG12 ILE B 178 25.011 -5.037 19.708 1.00 17.38 H new ATOM 0 HG13 ILE B 178 25.392 -6.063 18.596 1.00 17.38 H new ATOM 0 HG21 ILE B 178 27.033 -2.990 19.548 1.00 17.37 H new ATOM 0 HG22 ILE B 178 26.526 -2.139 18.312 1.00 17.37 H new ATOM 0 HG23 ILE B 178 25.503 -2.599 19.430 1.00 17.37 H new ATOM 0 HD11 ILE B 178 26.698 -6.465 20.508 1.00 18.80 H new ATOM 0 HD12 ILE B 178 27.647 -6.027 19.319 1.00 18.80 H new ATOM 0 HD13 ILE B 178 27.260 -4.986 20.448 1.00 18.80 H new ATOM 3606 N ALA B 179 26.033 -2.692 15.445 1.00 17.28 N ATOM 3607 CA ALA B 179 26.369 -1.502 14.688 1.00 16.85 C ATOM 3608 C ALA B 179 25.139 -1.107 13.853 1.00 17.05 C ATOM 3609 O ALA B 179 24.893 0.053 13.704 1.00 16.94 O ATOM 3610 CB ALA B 179 27.560 -1.757 13.810 1.00 17.81 C ATOM 0 H ALA B 179 26.471 -3.397 15.220 1.00 17.28 H new ATOM 0 HA ALA B 179 26.605 -0.776 15.287 1.00 16.85 H new ATOM 0 HB1 ALA B 179 27.772 -0.953 13.311 1.00 17.81 H new ATOM 0 HB2 ALA B 179 28.320 -2.006 14.359 1.00 17.81 H new ATOM 0 HB3 ALA B 179 27.358 -2.477 13.192 1.00 17.81 H new ATOM 3611 N SER B 180 24.384 -2.079 13.356 1.00 17.10 N ATOM 3612 CA SER B 180 23.228 -1.787 12.492 1.00 17.34 C ATOM 3613 C SER B 180 22.224 -0.931 13.256 1.00 17.19 C ATOM 3614 O SER B 180 21.865 0.168 12.831 1.00 16.97 O ATOM 3615 CB SER B 180 22.571 -3.098 12.042 1.00 19.24 C ATOM 3616 OG SER B 180 21.447 -2.826 11.214 1.00 19.09 O ATOM 0 H SER B 180 24.518 -2.916 13.502 1.00 17.10 H new ATOM 0 HA SER B 180 23.526 -1.301 11.707 1.00 17.34 H new ATOM 0 HB2 SER B 180 23.214 -3.640 11.558 1.00 19.24 H new ATOM 0 HB3 SER B 180 22.293 -3.611 12.817 1.00 19.24 H new ATOM 0 HG SER B 180 21.711 -2.588 10.453 1.00 19.09 H new ATOM 3617 N TYR B 181 21.817 -1.420 14.418 1.00 16.15 N ATOM 3618 CA TYR B 181 20.859 -0.688 15.252 1.00 17.33 C ATOM 3619 C TYR B 181 21.378 0.618 15.803 1.00 16.71 C ATOM 3620 O TYR B 181 20.627 1.609 15.839 1.00 17.01 O ATOM 3621 CB TYR B 181 20.251 -1.595 16.306 1.00 17.12 C ATOM 3622 CG TYR B 181 19.171 -2.439 15.668 1.00 19.38 C ATOM 3623 CD1 TYR B 181 17.866 -1.966 15.565 1.00 19.04 C ATOM 3624 CD2 TYR B 181 19.459 -3.698 15.147 1.00 19.94 C ATOM 3625 CE1 TYR B 181 16.865 -2.728 14.966 1.00 21.55 C ATOM 3626 CE2 TYR B 181 18.455 -4.472 14.551 1.00 21.05 C ATOM 3627 CZ TYR B 181 17.163 -3.964 14.475 1.00 19.04 C ATOM 3628 OH TYR B 181 16.173 -4.697 13.914 1.00 21.01 O ATOM 0 H TYR B 181 22.079 -2.171 14.746 1.00 16.15 H new ATOM 0 HA TYR B 181 20.141 -0.409 14.662 1.00 17.33 H new ATOM 0 HB2 TYR B 181 20.935 -2.163 16.693 1.00 17.12 H new ATOM 0 HB3 TYR B 181 19.879 -1.066 17.029 1.00 17.12 H new ATOM 0 HD1 TYR B 181 17.658 -1.125 15.903 1.00 19.04 H new ATOM 0 HD2 TYR B 181 20.327 -4.028 15.195 1.00 19.94 H new ATOM 0 HE1 TYR B 181 15.999 -2.395 14.902 1.00 21.55 H new ATOM 0 HE2 TYR B 181 18.650 -5.315 14.210 1.00 21.05 H new ATOM 0 HH TYR B 181 16.504 -5.360 13.519 1.00 21.01 H new ATOM 3629 N ALA B 182 22.666 0.658 16.154 1.00 17.19 N ATOM 3630 CA ALA B 182 23.279 1.932 16.570 1.00 18.12 C ATOM 3631 C ALA B 182 23.152 2.988 15.446 1.00 18.66 C ATOM 3632 O ALA B 182 22.795 4.152 15.689 1.00 18.13 O ATOM 3633 CB ALA B 182 24.744 1.729 16.964 1.00 17.83 C ATOM 0 H ALA B 182 23.194 -0.021 16.160 1.00 17.19 H new ATOM 0 HA ALA B 182 22.803 2.258 17.349 1.00 18.12 H new ATOM 0 HB1 ALA B 182 25.127 2.578 17.234 1.00 17.83 H new ATOM 0 HB2 ALA B 182 24.797 1.102 17.702 1.00 17.83 H new ATOM 0 HB3 ALA B 182 25.237 1.378 16.206 1.00 17.83 H new ATOM 3634 N LEU B 183 23.430 2.576 14.209 1.00 18.73 N ATOM 3635 CA LEU B 183 23.282 3.460 13.064 1.00 21.15 C ATOM 3636 C LEU B 183 21.846 3.933 12.955 1.00 19.79 C ATOM 3637 O LEU B 183 21.603 5.123 12.787 1.00 19.99 O ATOM 3638 CB LEU B 183 23.714 2.752 11.756 1.00 21.43 C ATOM 3639 CG LEU B 183 24.080 3.610 10.557 1.00 26.29 C ATOM 3640 CD1 LEU B 183 25.452 4.298 10.847 1.00 28.04 C ATOM 3641 CD2 LEU B 183 24.190 2.664 9.318 1.00 25.26 C ATOM 0 H LEU B 183 23.706 1.785 14.016 1.00 18.73 H new ATOM 0 HA LEU B 183 23.860 4.228 13.196 1.00 21.15 H new ATOM 0 HB2 LEU B 183 24.478 2.191 11.962 1.00 21.43 H new ATOM 0 HB3 LEU B 183 22.993 2.161 11.488 1.00 21.43 H new ATOM 0 HG LEU B 183 23.415 4.295 10.386 1.00 26.29 H new ATOM 0 HD11 LEU B 183 25.703 4.851 10.091 1.00 28.04 H new ATOM 0 HD12 LEU B 183 25.376 4.851 11.640 1.00 28.04 H new ATOM 0 HD13 LEU B 183 26.131 3.620 10.990 1.00 28.04 H new ATOM 0 HD21 LEU B 183 24.423 3.184 8.533 1.00 25.26 H new ATOM 0 HD22 LEU B 183 24.876 1.997 9.479 1.00 25.26 H new ATOM 0 HD23 LEU B 183 23.339 2.222 9.171 1.00 25.26 H new ATOM 3642 N LEU B 184 20.893 3.018 13.048 1.00 18.80 N ATOM 3643 CA LEU B 184 19.476 3.418 13.037 1.00 18.36 C ATOM 3644 C LEU B 184 19.137 4.469 14.111 1.00 18.84 C ATOM 3645 O LEU B 184 18.439 5.460 13.844 1.00 18.94 O ATOM 3646 CB LEU B 184 18.564 2.189 13.129 1.00 17.25 C ATOM 3647 CG LEU B 184 17.061 2.439 12.961 1.00 17.90 C ATOM 3648 CD1 LEU B 184 16.729 3.113 11.618 1.00 15.43 C ATOM 3649 CD2 LEU B 184 16.300 1.115 13.123 1.00 18.62 C ATOM 0 H LEU B 184 21.032 2.172 13.117 1.00 18.80 H new ATOM 0 HA LEU B 184 19.312 3.853 12.186 1.00 18.36 H new ATOM 0 HB2 LEU B 184 18.843 1.552 12.453 1.00 17.25 H new ATOM 0 HB3 LEU B 184 18.707 1.768 13.991 1.00 17.25 H new ATOM 0 HG LEU B 184 16.778 3.057 13.653 1.00 17.90 H new ATOM 0 HD11 LEU B 184 15.771 3.252 11.554 1.00 15.43 H new ATOM 0 HD12 LEU B 184 17.184 3.968 11.564 1.00 15.43 H new ATOM 0 HD13 LEU B 184 17.022 2.544 10.889 1.00 15.43 H new ATOM 0 HD21 LEU B 184 15.349 1.273 13.017 1.00 18.62 H new ATOM 0 HD22 LEU B 184 16.600 0.485 12.449 1.00 18.62 H new ATOM 0 HD23 LEU B 184 16.470 0.750 14.005 1.00 18.62 H new ATOM 3650 N VAL B 185 19.644 4.288 15.324 1.00 17.46 N ATOM 3651 CA VAL B 185 19.324 5.243 16.393 1.00 17.48 C ATOM 3652 C VAL B 185 19.831 6.616 15.989 1.00 17.99 C ATOM 3653 O VAL B 185 19.125 7.609 16.145 1.00 19.30 O ATOM 3654 CB VAL B 185 19.884 4.811 17.787 1.00 17.69 C ATOM 3655 CG1 VAL B 185 19.564 5.902 18.872 1.00 17.90 C ATOM 3656 CG2 VAL B 185 19.321 3.468 18.189 1.00 16.16 C ATOM 0 H VAL B 185 20.162 3.640 15.551 1.00 17.46 H new ATOM 0 HA VAL B 185 18.360 5.267 16.501 1.00 17.48 H new ATOM 0 HB VAL B 185 20.848 4.727 17.720 1.00 17.69 H new ATOM 0 HG11 VAL B 185 19.918 5.619 19.730 1.00 17.90 H new ATOM 0 HG12 VAL B 185 19.973 6.743 18.616 1.00 17.90 H new ATOM 0 HG13 VAL B 185 18.603 6.018 18.941 1.00 17.90 H new ATOM 0 HG21 VAL B 185 19.677 3.214 19.055 1.00 16.16 H new ATOM 0 HG22 VAL B 185 18.354 3.525 18.242 1.00 16.16 H new ATOM 0 HG23 VAL B 185 19.570 2.802 17.529 1.00 16.16 H new ATOM 3657 N HIS B 186 21.046 6.671 15.449 1.00 18.05 N ATOM 3658 CA HIS B 186 21.659 7.943 15.034 1.00 19.18 C ATOM 3659 C HIS B 186 20.783 8.639 13.984 1.00 19.27 C ATOM 3660 O HIS B 186 20.553 9.854 14.053 1.00 19.18 O ATOM 3661 CB HIS B 186 23.067 7.700 14.487 1.00 18.00 C ATOM 3662 CG HIS B 186 24.132 7.716 15.538 1.00 18.54 C ATOM 3663 ND1 HIS B 186 24.740 8.883 15.942 1.00 16.07 N ATOM 3664 CD2 HIS B 186 24.737 6.715 16.226 1.00 19.41 C ATOM 3665 CE1 HIS B 186 25.643 8.610 16.873 1.00 20.55 C ATOM 3666 NE2 HIS B 186 25.654 7.305 17.073 1.00 18.07 N ATOM 0 H HIS B 186 21.539 5.980 15.311 1.00 18.05 H new ATOM 0 HA HIS B 186 21.727 8.523 15.808 1.00 19.18 H new ATOM 0 HB2 HIS B 186 23.085 6.843 14.032 1.00 18.00 H new ATOM 0 HB3 HIS B 186 23.269 8.378 13.823 1.00 18.00 H new ATOM 0 HD2 HIS B 186 24.566 5.805 16.143 1.00 19.41 H new ATOM 0 HE1 HIS B 186 26.178 9.232 17.311 1.00 20.55 H new ATOM 0 HE2 HIS B 186 26.151 6.890 17.639 1.00 18.07 H new ATOM 3667 N MET B 187 20.316 7.860 13.016 1.00 19.72 N ATOM 3668 CA MET B 187 19.474 8.393 11.936 1.00 20.66 C ATOM 3669 C MET B 187 18.132 8.858 12.466 1.00 20.88 C ATOM 3670 O MET B 187 17.648 9.945 12.106 1.00 20.52 O ATOM 3671 CB MET B 187 19.251 7.313 10.888 1.00 20.79 C ATOM 3672 CG MET B 187 20.548 6.886 10.173 1.00 20.74 C ATOM 3673 SD MET B 187 20.402 5.279 9.339 1.00 22.56 S ATOM 3674 CE MET B 187 19.408 5.723 7.930 1.00 18.58 C ATOM 0 H MET B 187 20.473 7.016 12.961 1.00 19.72 H new ATOM 0 HA MET B 187 19.930 9.154 11.543 1.00 20.66 H new ATOM 0 HB2 MET B 187 18.851 6.537 11.311 1.00 20.79 H new ATOM 0 HB3 MET B 187 18.616 7.636 10.229 1.00 20.79 H new ATOM 0 HG2 MET B 187 20.790 7.562 9.521 1.00 20.74 H new ATOM 0 HG3 MET B 187 21.270 6.845 10.820 1.00 20.74 H new ATOM 0 HE1 MET B 187 19.053 4.920 7.518 1.00 18.58 H new ATOM 0 HE2 MET B 187 18.675 6.290 8.217 1.00 18.58 H new ATOM 0 HE3 MET B 187 19.954 6.201 7.286 1.00 18.58 H new ATOM 3675 N MET B 188 17.508 8.028 13.310 1.00 21.21 N ATOM 3676 CA MET B 188 16.242 8.403 13.929 1.00 22.39 C ATOM 3677 C MET B 188 16.415 9.645 14.813 1.00 22.24 C ATOM 3678 O MET B 188 15.595 10.570 14.776 1.00 22.39 O ATOM 3679 CB MET B 188 15.681 7.251 14.755 1.00 22.39 C ATOM 3680 CG MET B 188 15.086 6.098 13.937 1.00 28.45 C ATOM 3681 SD MET B 188 13.438 6.552 13.297 1.00 41.41 S ATOM 3682 CE MET B 188 13.807 7.990 12.316 1.00 42.93 C ATOM 0 H MET B 188 17.802 7.251 13.533 1.00 21.21 H new ATOM 0 HA MET B 188 15.615 8.611 13.219 1.00 22.39 H new ATOM 0 HB2 MET B 188 16.389 6.899 15.318 1.00 22.39 H new ATOM 0 HB3 MET B 188 14.995 7.598 15.346 1.00 22.39 H new ATOM 0 HG2 MET B 188 15.676 5.879 13.199 1.00 28.45 H new ATOM 0 HG3 MET B 188 15.017 5.304 14.490 1.00 28.45 H new ATOM 0 HE1 MET B 188 13.285 7.967 11.499 1.00 42.93 H new ATOM 0 HE2 MET B 188 13.586 8.790 12.818 1.00 42.93 H new ATOM 0 HE3 MET B 188 14.752 7.998 12.095 1.00 42.93 H new ATOM 3683 N ALA B 189 17.488 9.673 15.593 1.00 21.90 N ATOM 3684 CA ALA B 189 17.741 10.831 16.439 1.00 21.69 C ATOM 3685 C ALA B 189 17.894 12.098 15.573 1.00 21.46 C ATOM 3686 O ALA B 189 17.253 13.126 15.823 1.00 22.79 O ATOM 3687 CB ALA B 189 18.970 10.596 17.311 1.00 20.59 C ATOM 0 H ALA B 189 18.072 9.044 15.648 1.00 21.90 H new ATOM 0 HA ALA B 189 16.983 10.963 17.030 1.00 21.69 H new ATOM 0 HB1 ALA B 189 19.126 11.375 17.868 1.00 20.59 H new ATOM 0 HB2 ALA B 189 18.824 9.820 17.874 1.00 20.59 H new ATOM 0 HB3 ALA B 189 19.744 10.444 16.746 1.00 20.59 H new ATOM 3688 N GLN B 190 18.688 12.005 14.515 1.00 21.76 N ATOM 3689 CA GLN B 190 18.878 13.156 13.640 1.00 22.17 C ATOM 3690 C GLN B 190 17.559 13.687 13.013 1.00 22.67 C ATOM 3691 O GLN B 190 17.314 14.902 12.952 1.00 22.77 O ATOM 3692 CB GLN B 190 19.907 12.823 12.577 1.00 21.70 C ATOM 3693 CG GLN B 190 20.102 13.963 11.628 1.00 22.86 C ATOM 3694 CD GLN B 190 21.193 13.689 10.641 1.00 24.41 C ATOM 3695 OE1 GLN B 190 21.005 12.675 9.808 1.00 27.50 O flip ATOM 3696 NE2 GLN B 190 22.191 14.394 10.616 1.00 19.92 N flip ATOM 0 H GLN B 190 19.120 11.297 14.287 1.00 21.76 H new ATOM 0 HA GLN B 190 19.206 13.884 14.191 1.00 22.17 H new ATOM 0 HB2 GLN B 190 20.752 12.604 13.000 1.00 21.70 H new ATOM 0 HB3 GLN B 190 19.624 12.036 12.086 1.00 21.70 H new ATOM 0 HG2 GLN B 190 19.273 14.134 11.154 1.00 22.86 H new ATOM 0 HG3 GLN B 190 20.313 14.767 12.128 1.00 22.86 H new ATOM 0 HE21 GLN B 190 22.274 15.042 11.175 1.00 19.92 H new ATOM 0 HE22 GLN B 190 22.811 14.242 10.039 1.00 19.92 H new ATOM 3697 N GLN B 191 16.705 12.772 12.597 1.00 22.12 N ATOM 3698 CA GLN B 191 15.440 13.119 11.957 1.00 23.11 C ATOM 3699 C GLN B 191 14.453 13.712 12.933 1.00 23.68 C ATOM 3700 O GLN B 191 13.572 14.470 12.536 1.00 23.60 O ATOM 3701 CB GLN B 191 14.842 11.904 11.268 1.00 22.76 C ATOM 3702 CG GLN B 191 15.661 11.511 10.049 1.00 22.67 C ATOM 3703 CD GLN B 191 15.679 12.594 8.970 1.00 23.91 C ATOM 3704 OE1 GLN B 191 14.524 13.145 8.695 1.00 26.41 O flip ATOM 3705 NE2 GLN B 191 16.733 12.921 8.394 1.00 19.14 N flip ATOM 0 H GLN B 191 16.838 11.926 12.676 1.00 22.12 H new ATOM 0 HA GLN B 191 15.630 13.798 11.291 1.00 23.11 H new ATOM 0 HB2 GLN B 191 14.805 11.161 11.890 1.00 22.76 H new ATOM 0 HB3 GLN B 191 13.930 12.096 11.001 1.00 22.76 H new ATOM 0 HG2 GLN B 191 16.571 11.320 10.324 1.00 22.67 H new ATOM 0 HG3 GLN B 191 15.301 10.692 9.673 1.00 22.67 H new ATOM 0 HE21 GLN B 191 17.474 12.536 8.602 1.00 19.14 H new ATOM 0 HE22 GLN B 191 16.721 13.532 7.789 1.00 19.14 H new ATOM 3706 N CYS B 192 14.635 13.412 14.214 1.00 23.30 N ATOM 3707 CA CYS B 192 13.755 13.942 15.246 1.00 24.80 C ATOM 3708 C CYS B 192 14.395 15.011 16.093 1.00 25.62 C ATOM 3709 O CYS B 192 13.819 15.402 17.107 1.00 25.58 O ATOM 3710 CB CYS B 192 13.247 12.810 16.130 1.00 25.58 C ATOM 3711 SG CYS B 192 12.373 11.585 15.210 1.00 29.54 S ATOM 0 H CYS B 192 15.263 12.903 14.506 1.00 23.30 H new ATOM 0 HA CYS B 192 13.014 14.365 14.784 1.00 24.80 H new ATOM 0 HB2 CYS B 192 13.997 12.396 16.585 1.00 25.58 H new ATOM 0 HB3 CYS B 192 12.665 13.174 16.815 1.00 25.58 H new ATOM 0 HG CYS B 192 12.505 10.516 15.740 1.00 29.54 H new ATOM 3712 N ASP B 193 15.564 15.514 15.680 1.00 26.20 N ATOM 3713 CA ASP B 193 16.263 16.585 16.426 1.00 27.39 C ATOM 3714 C ASP B 193 16.446 16.161 17.895 1.00 26.85 C ATOM 3715 O ASP B 193 16.242 16.952 18.819 1.00 26.95 O ATOM 3716 CB ASP B 193 15.508 17.924 16.346 1.00 28.97 C ATOM 3717 CG ASP B 193 15.415 18.471 14.919 1.00 32.09 C ATOM 3718 OD1 ASP B 193 16.440 18.480 14.204 1.00 37.77 O ATOM 3719 OD2 ASP B 193 14.312 18.890 14.526 1.00 38.21 O ATOM 0 H ASP B 193 15.974 15.252 14.971 1.00 26.20 H new ATOM 0 HA ASP B 193 17.132 16.718 16.016 1.00 27.39 H new ATOM 0 HB2 ASP B 193 14.613 17.807 16.702 1.00 28.97 H new ATOM 0 HB3 ASP B 193 15.954 18.576 16.909 1.00 28.97 H new ATOM 3720 N LEU B 194 16.817 14.899 18.087 1.00 26.16 N ATOM 3721 CA LEU B 194 17.120 14.345 19.410 1.00 25.38 C ATOM 3722 C LEU B 194 18.616 14.027 19.530 1.00 25.81 C ATOM 3723 O LEU B 194 19.300 13.888 18.521 1.00 25.65 O ATOM 3724 CB LEU B 194 16.290 13.070 19.615 1.00 25.71 C ATOM 3725 CG LEU B 194 14.766 13.224 19.770 1.00 24.93 C ATOM 3726 CD1 LEU B 194 14.073 11.873 19.799 1.00 24.30 C ATOM 3727 CD2 LEU B 194 14.414 14.071 21.043 1.00 25.91 C ATOM 0 H LEU B 194 16.902 14.331 17.447 1.00 26.16 H new ATOM 0 HA LEU B 194 16.895 14.997 20.092 1.00 25.38 H new ATOM 0 HB2 LEU B 194 16.455 12.482 18.861 1.00 25.71 H new ATOM 0 HB3 LEU B 194 16.626 12.619 20.405 1.00 25.71 H new ATOM 0 HG LEU B 194 14.437 13.703 18.993 1.00 24.93 H new ATOM 0 HD11 LEU B 194 13.117 12.002 19.897 1.00 24.30 H new ATOM 0 HD12 LEU B 194 14.252 11.400 18.971 1.00 24.30 H new ATOM 0 HD13 LEU B 194 14.407 11.354 20.547 1.00 24.30 H new ATOM 0 HD21 LEU B 194 13.451 14.155 21.120 1.00 25.91 H new ATOM 0 HD22 LEU B 194 14.764 13.630 21.833 1.00 25.91 H new ATOM 0 HD23 LEU B 194 14.809 14.953 20.964 1.00 25.91 H new ATOM 3728 N GLU B 195 19.130 13.956 20.757 1.00 26.03 N ATOM 3729 CA GLU B 195 20.485 13.440 21.013 1.00 27.03 C ATOM 3730 C GLU B 195 20.426 11.921 20.966 1.00 25.67 C ATOM 3731 O GLU B 195 19.367 11.361 21.233 1.00 25.63 O ATOM 3732 CB GLU B 195 20.971 13.806 22.428 1.00 28.38 C ATOM 3733 CG GLU B 195 21.423 15.236 22.612 1.00 34.71 C ATOM 3734 CD GLU B 195 22.404 15.672 21.539 1.00 41.42 C ATOM 3735 OE1 GLU B 195 23.621 15.356 21.658 1.00 43.44 O ATOM 3736 OE2 GLU B 195 21.941 16.337 20.579 1.00 45.47 O ATOM 0 H GLU B 195 18.709 14.203 21.465 1.00 26.03 H new ATOM 0 HA GLU B 195 21.082 13.821 20.350 1.00 27.03 H new ATOM 0 HB2 GLU B 195 20.253 13.627 23.056 1.00 28.38 H new ATOM 0 HB3 GLU B 195 21.706 13.218 22.662 1.00 28.38 H new ATOM 0 HG2 GLU B 195 20.650 15.822 22.598 1.00 34.71 H new ATOM 0 HG3 GLU B 195 21.836 15.333 23.484 1.00 34.71 H new ATOM 3737 N VAL B 196 21.546 11.260 20.675 1.00 23.19 N ATOM 3738 CA VAL B 196 21.551 9.794 20.772 1.00 22.08 C ATOM 3739 C VAL B 196 21.693 9.393 22.243 1.00 21.18 C ATOM 3740 O VAL B 196 22.526 9.966 22.959 1.00 20.59 O ATOM 3741 CB VAL B 196 22.637 9.105 19.931 1.00 22.07 C ATOM 3742 CG1 VAL B 196 22.341 9.245 18.435 1.00 22.97 C ATOM 3743 CG2 VAL B 196 24.066 9.578 20.276 1.00 22.85 C ATOM 0 H VAL B 196 22.287 11.620 20.429 1.00 23.19 H new ATOM 0 HA VAL B 196 20.707 9.489 20.404 1.00 22.08 H new ATOM 0 HB VAL B 196 22.609 8.163 20.161 1.00 22.07 H new ATOM 0 HG11 VAL B 196 23.038 8.804 17.924 1.00 22.97 H new ATOM 0 HG12 VAL B 196 21.485 8.835 18.235 1.00 22.97 H new ATOM 0 HG13 VAL B 196 22.312 10.185 18.197 1.00 22.97 H new ATOM 0 HG21 VAL B 196 24.706 9.111 19.716 1.00 22.85 H new ATOM 0 HG22 VAL B 196 24.137 10.533 20.120 1.00 22.85 H new ATOM 0 HG23 VAL B 196 24.254 9.388 21.208 1.00 22.85 H new ATOM 3744 N GLY B 197 20.886 8.431 22.690 1.00 18.83 N ATOM 3745 CA GLY B 197 21.044 7.895 24.041 1.00 19.72 C ATOM 3746 C GLY B 197 21.701 6.530 24.045 1.00 18.49 C ATOM 3747 O GLY B 197 22.828 6.381 23.593 1.00 19.18 O ATOM 0 H GLY B 197 20.248 8.079 22.233 1.00 18.83 H new ATOM 0 HA2 GLY B 197 21.576 8.509 24.570 1.00 19.72 H new ATOM 0 HA3 GLY B 197 20.174 7.834 24.466 1.00 19.72 H new ATOM 3748 N ASP B 198 20.972 5.531 24.516 1.00 18.48 N ATOM 3749 CA ASP B 198 21.494 4.186 24.637 1.00 17.73 C ATOM 3750 C ASP B 198 20.929 3.256 23.584 1.00 17.59 C ATOM 3751 O ASP B 198 19.733 3.339 23.261 1.00 17.69 O ATOM 3752 CB ASP B 198 21.055 3.575 25.961 1.00 18.25 C ATOM 3753 CG ASP B 198 21.708 4.215 27.184 1.00 18.26 C ATOM 3754 OD1 ASP B 198 22.822 4.715 27.084 1.00 17.24 O ATOM 3755 OD2 ASP B 198 21.106 4.112 28.262 1.00 18.39 O ATOM 0 H ASP B 198 20.157 5.617 24.775 1.00 18.48 H new ATOM 0 HA ASP B 198 22.457 4.267 24.552 1.00 17.73 H new ATOM 0 HB2 ASP B 198 20.092 3.655 26.041 1.00 18.25 H new ATOM 0 HB3 ASP B 198 21.261 2.627 25.954 1.00 18.25 H new ATOM 3756 N PHE B 199 21.772 2.341 23.106 1.00 16.42 N ATOM 3757 CA PHE B 199 21.272 1.151 22.414 1.00 17.08 C ATOM 3758 C PHE B 199 21.349 0.007 23.404 1.00 17.96 C ATOM 3759 O PHE B 199 22.434 -0.309 23.923 1.00 17.55 O ATOM 3760 CB PHE B 199 22.063 0.772 21.143 1.00 18.25 C ATOM 3761 CG PHE B 199 21.589 -0.545 20.539 1.00 16.04 C ATOM 3762 CD1 PHE B 199 20.237 -0.720 20.211 1.00 17.70 C ATOM 3763 CD2 PHE B 199 22.469 -1.578 20.313 1.00 16.04 C ATOM 3764 CE1 PHE B 199 19.774 -1.937 19.689 1.00 18.17 C ATOM 3765 CE2 PHE B 199 22.027 -2.808 19.804 1.00 16.69 C ATOM 3766 CZ PHE B 199 20.684 -2.988 19.483 1.00 17.14 C ATOM 0 H PHE B 199 22.628 2.388 23.170 1.00 16.42 H new ATOM 0 HA PHE B 199 20.370 1.339 22.112 1.00 17.08 H new ATOM 0 HB2 PHE B 199 21.972 1.479 20.485 1.00 18.25 H new ATOM 0 HB3 PHE B 199 23.006 0.706 21.359 1.00 18.25 H new ATOM 0 HD1 PHE B 199 19.639 -0.020 20.341 1.00 17.70 H new ATOM 0 HD2 PHE B 199 23.372 -1.459 20.501 1.00 16.04 H new ATOM 0 HE1 PHE B 199 18.874 -2.047 19.481 1.00 18.17 H new ATOM 0 HE2 PHE B 199 22.631 -3.504 19.681 1.00 16.69 H new ATOM 0 HZ PHE B 199 20.391 -3.799 19.134 1.00 17.14 H new ATOM 3767 N VAL B 200 20.187 -0.552 23.725 1.00 17.03 N ATOM 3768 CA VAL B 200 20.107 -1.710 24.626 1.00 17.28 C ATOM 3769 C VAL B 200 19.893 -2.970 23.796 1.00 16.91 C ATOM 3770 O VAL B 200 18.924 -3.052 23.048 1.00 17.71 O ATOM 3771 CB VAL B 200 18.938 -1.545 25.607 1.00 16.61 C ATOM 3772 CG1 VAL B 200 18.901 -2.705 26.629 1.00 17.01 C ATOM 3773 CG2 VAL B 200 19.065 -0.217 26.317 1.00 15.69 C ATOM 0 H VAL B 200 19.426 -0.278 23.432 1.00 17.03 H new ATOM 0 HA VAL B 200 20.932 -1.777 25.131 1.00 17.28 H new ATOM 0 HB VAL B 200 18.106 -1.566 25.109 1.00 16.61 H new ATOM 0 HG11 VAL B 200 18.155 -2.578 27.236 1.00 17.01 H new ATOM 0 HG12 VAL B 200 18.795 -3.547 26.159 1.00 17.01 H new ATOM 0 HG13 VAL B 200 19.729 -2.719 27.133 1.00 17.01 H new ATOM 0 HG21 VAL B 200 18.327 -0.110 26.938 1.00 15.69 H new ATOM 0 HG22 VAL B 200 19.903 -0.189 26.804 1.00 15.69 H new ATOM 0 HG23 VAL B 200 19.046 0.502 25.666 1.00 15.69 H new ATOM 3774 N TRP B 201 20.783 -3.948 23.936 1.00 15.95 N ATOM 3775 CA TRP B 201 20.669 -5.184 23.190 1.00 17.14 C ATOM 3776 C TRP B 201 20.183 -6.271 24.133 1.00 16.88 C ATOM 3777 O TRP B 201 20.800 -6.517 25.157 1.00 17.24 O ATOM 3778 CB TRP B 201 22.023 -5.572 22.565 1.00 16.61 C ATOM 3779 CG TRP B 201 21.921 -6.810 21.781 1.00 17.44 C ATOM 3780 CD1 TRP B 201 21.613 -6.912 20.454 1.00 18.84 C ATOM 3781 CD2 TRP B 201 22.085 -8.131 22.265 1.00 16.80 C ATOM 3782 NE1 TRP B 201 21.602 -8.231 20.070 1.00 19.08 N ATOM 3783 CE2 TRP B 201 21.892 -9.005 21.164 1.00 18.82 C ATOM 3784 CE3 TRP B 201 22.424 -8.676 23.515 1.00 16.17 C ATOM 3785 CZ2 TRP B 201 21.998 -10.385 21.280 1.00 18.35 C ATOM 3786 CZ3 TRP B 201 22.539 -10.087 23.624 1.00 17.73 C ATOM 3787 CH2 TRP B 201 22.334 -10.908 22.514 1.00 18.63 C ATOM 0 H TRP B 201 21.462 -3.910 24.462 1.00 15.95 H new ATOM 0 HA TRP B 201 20.036 -5.071 22.464 1.00 17.14 H new ATOM 0 HB2 TRP B 201 22.335 -4.852 21.995 1.00 16.61 H new ATOM 0 HB3 TRP B 201 22.683 -5.686 23.266 1.00 16.61 H new ATOM 0 HD1 TRP B 201 21.436 -6.193 19.892 1.00 18.84 H new ATOM 0 HE1 TRP B 201 21.440 -8.522 19.277 1.00 19.08 H new ATOM 0 HE3 TRP B 201 22.569 -8.127 24.251 1.00 16.17 H new ATOM 0 HZ2 TRP B 201 21.847 -10.940 20.549 1.00 18.35 H new ATOM 0 HZ3 TRP B 201 22.753 -10.469 24.445 1.00 17.73 H new ATOM 0 HH2 TRP B 201 22.426 -11.829 22.607 1.00 18.63 H new ATOM 3788 N THR B 202 19.085 -6.917 23.763 1.00 16.28 N ATOM 3789 CA THR B 202 18.572 -8.054 24.513 1.00 16.62 C ATOM 3790 C THR B 202 18.534 -9.278 23.634 1.00 16.59 C ATOM 3791 O THR B 202 17.975 -9.267 22.511 1.00 17.59 O ATOM 3792 CB THR B 202 17.187 -7.731 25.107 1.00 16.66 C ATOM 3793 OG1 THR B 202 17.349 -6.713 26.125 1.00 16.88 O ATOM 3794 CG2 THR B 202 16.507 -8.990 25.707 1.00 15.71 C ATOM 0 H THR B 202 18.617 -6.709 23.072 1.00 16.28 H new ATOM 0 HA THR B 202 19.167 -8.240 25.256 1.00 16.62 H new ATOM 0 HB THR B 202 16.610 -7.410 24.397 1.00 16.66 H new ATOM 0 HG1 THR B 202 16.711 -6.168 26.080 1.00 16.88 H new ATOM 0 HG21 THR B 202 15.641 -8.748 26.070 1.00 15.71 H new ATOM 0 HG22 THR B 202 16.391 -9.657 25.013 1.00 15.71 H new ATOM 0 HG23 THR B 202 17.063 -9.353 26.414 1.00 15.71 H new ATOM 3795 N GLY B 203 19.121 -10.341 24.154 1.00 17.35 N ATOM 3796 CA GLY B 203 19.201 -11.623 23.480 1.00 17.09 C ATOM 3797 C GLY B 203 18.315 -12.694 24.078 1.00 17.11 C ATOM 3798 O GLY B 203 18.168 -12.817 25.322 1.00 16.98 O ATOM 0 H GLY B 203 19.494 -10.337 24.929 1.00 17.35 H new ATOM 0 HA2 GLY B 203 18.962 -11.503 22.548 1.00 17.09 H new ATOM 0 HA3 GLY B 203 20.121 -11.930 23.499 1.00 17.09 H new ATOM 3799 N GLY B 204 17.766 -13.504 23.178 1.00 16.37 N ATOM 3800 CA GLY B 204 17.076 -14.747 23.541 1.00 17.13 C ATOM 3801 C GLY B 204 18.069 -15.882 23.486 1.00 18.55 C ATOM 3802 O GLY B 204 18.945 -15.995 24.345 1.00 15.87 O ATOM 0 H GLY B 204 17.782 -13.350 22.332 1.00 16.37 H new ATOM 0 HA2 GLY B 204 16.697 -14.674 24.431 1.00 17.13 H new ATOM 0 HA3 GLY B 204 16.340 -14.914 22.932 1.00 17.13 H new ATOM 3803 N ASP B 205 17.935 -16.739 22.476 1.00 19.88 N ATOM 3804 CA ASP B 205 18.875 -17.856 22.329 1.00 20.55 C ATOM 3805 C ASP B 205 20.179 -17.319 21.731 1.00 20.79 C ATOM 3806 O ASP B 205 20.241 -16.948 20.544 1.00 20.40 O ATOM 3807 CB ASP B 205 18.259 -18.926 21.410 1.00 22.21 C ATOM 3808 CG ASP B 205 19.038 -20.227 21.414 1.00 24.34 C ATOM 3809 OD1 ASP B 205 20.290 -20.205 21.313 1.00 29.62 O ATOM 3810 OD2 ASP B 205 18.381 -21.291 21.486 1.00 28.87 O ATOM 0 H ASP B 205 17.321 -16.696 21.875 1.00 19.88 H new ATOM 0 HA ASP B 205 19.059 -18.261 23.191 1.00 20.55 H new ATOM 0 HB2 ASP B 205 17.347 -19.100 21.690 1.00 22.21 H new ATOM 0 HB3 ASP B 205 18.217 -18.582 20.504 1.00 22.21 H new ATOM 3811 N THR B 206 21.216 -17.294 22.562 1.00 20.32 N ATOM 3812 CA THR B 206 22.441 -16.562 22.298 1.00 21.11 C ATOM 3813 C THR B 206 23.550 -17.596 22.300 1.00 21.76 C ATOM 3814 O THR B 206 23.753 -18.267 23.297 1.00 23.29 O ATOM 3815 CB THR B 206 22.638 -15.474 23.379 1.00 21.08 C ATOM 3816 OG1 THR B 206 21.475 -14.627 23.393 1.00 19.51 O ATOM 3817 CG2 THR B 206 23.880 -14.574 23.103 1.00 22.16 C ATOM 0 H THR B 206 21.223 -17.714 23.313 1.00 20.32 H new ATOM 0 HA THR B 206 22.427 -16.096 21.447 1.00 21.11 H new ATOM 0 HB THR B 206 22.774 -15.926 24.226 1.00 21.08 H new ATOM 0 HG1 THR B 206 20.831 -15.040 23.740 1.00 19.51 H new ATOM 0 HG21 THR B 206 23.961 -13.910 23.805 1.00 22.16 H new ATOM 0 HG22 THR B 206 24.680 -15.123 23.084 1.00 22.16 H new ATOM 0 HG23 THR B 206 23.773 -14.128 22.248 1.00 22.16 H new ATOM 3818 N HIS B 207 24.224 -17.768 21.168 1.00 21.73 N ATOM 3819 CA HIS B 207 25.140 -18.908 21.028 1.00 21.31 C ATOM 3820 C HIS B 207 26.419 -18.623 20.289 1.00 21.02 C ATOM 3821 O HIS B 207 26.532 -17.643 19.556 1.00 20.25 O ATOM 3822 CB HIS B 207 24.431 -20.055 20.325 1.00 21.79 C ATOM 3823 CG HIS B 207 23.631 -19.629 19.127 1.00 23.94 C ATOM 3824 ND1 HIS B 207 24.150 -19.597 17.850 1.00 26.83 N ATOM 3825 CD2 HIS B 207 22.346 -19.215 19.023 1.00 24.23 C ATOM 3826 CE1 HIS B 207 23.223 -19.171 17.010 1.00 25.58 C ATOM 3827 NE2 HIS B 207 22.116 -18.941 17.693 1.00 27.30 N ATOM 0 H HIS B 207 24.172 -17.253 20.481 1.00 21.73 H new ATOM 0 HA HIS B 207 25.394 -19.132 21.937 1.00 21.31 H new ATOM 0 HB2 HIS B 207 25.090 -20.710 20.047 1.00 21.79 H new ATOM 0 HB3 HIS B 207 23.842 -20.496 20.957 1.00 21.79 H new ATOM 0 HD2 HIS B 207 21.734 -19.131 19.718 1.00 24.23 H new ATOM 0 HE1 HIS B 207 23.332 -19.053 16.094 1.00 25.58 H new ATOM 0 HE2 HIS B 207 21.372 -18.665 17.361 1.00 27.30 H new ATOM 3828 N LEU B 208 27.382 -19.509 20.498 1.00 20.48 N ATOM 3829 CA LEU B 208 28.607 -19.556 19.737 1.00 21.05 C ATOM 3830 C LEU B 208 28.584 -20.884 19.026 1.00 21.51 C ATOM 3831 O LEU B 208 28.345 -21.917 19.636 1.00 20.33 O ATOM 3832 CB LEU B 208 29.820 -19.509 20.670 1.00 21.90 C ATOM 3833 CG LEU B 208 30.145 -18.129 21.254 1.00 22.81 C ATOM 3834 CD1 LEU B 208 31.124 -18.337 22.347 1.00 23.53 C ATOM 3835 CD2 LEU B 208 30.757 -17.244 20.154 1.00 25.12 C ATOM 0 H LEU B 208 27.334 -20.115 21.106 1.00 20.48 H new ATOM 0 HA LEU B 208 28.673 -18.805 19.127 1.00 21.05 H new ATOM 0 HB2 LEU B 208 29.670 -20.127 21.403 1.00 21.90 H new ATOM 0 HB3 LEU B 208 30.596 -19.829 20.184 1.00 21.90 H new ATOM 0 HG LEU B 208 29.348 -17.691 21.591 1.00 22.81 H new ATOM 0 HD11 LEU B 208 31.355 -17.482 22.742 1.00 23.53 H new ATOM 0 HD12 LEU B 208 30.735 -18.912 23.025 1.00 23.53 H new ATOM 0 HD13 LEU B 208 31.924 -18.754 21.990 1.00 23.53 H new ATOM 0 HD21 LEU B 208 30.964 -16.370 20.520 1.00 25.12 H new ATOM 0 HD22 LEU B 208 31.570 -17.656 19.822 1.00 25.12 H new ATOM 0 HD23 LEU B 208 30.123 -17.148 19.426 1.00 25.12 H new ATOM 3836 N TRP B 209 28.799 -20.843 17.716 1.00 23.08 N ATOM 3837 CA TRP B 209 28.934 -22.054 16.952 1.00 23.72 C ATOM 3838 C TRP B 209 30.208 -22.754 17.387 1.00 23.84 C ATOM 3839 O TRP B 209 31.210 -22.115 17.715 1.00 22.78 O ATOM 3840 CB TRP B 209 28.945 -21.716 15.489 1.00 26.19 C ATOM 3841 CG TRP B 209 27.601 -21.264 15.060 1.00 28.85 C ATOM 3842 CD1 TRP B 209 27.173 -19.976 14.918 1.00 31.97 C ATOM 3843 CD2 TRP B 209 26.480 -22.100 14.739 1.00 32.14 C ATOM 3844 NE1 TRP B 209 25.854 -19.958 14.502 1.00 33.51 N ATOM 3845 CE2 TRP B 209 25.409 -21.249 14.386 1.00 32.66 C ATOM 3846 CE3 TRP B 209 26.284 -23.486 14.695 1.00 33.15 C ATOM 3847 CZ2 TRP B 209 24.154 -21.741 14.000 1.00 33.42 C ATOM 3848 CZ3 TRP B 209 25.032 -23.972 14.302 1.00 31.73 C ATOM 3849 CH2 TRP B 209 23.988 -23.106 13.979 1.00 32.09 C ATOM 0 H TRP B 209 28.869 -20.118 17.258 1.00 23.08 H new ATOM 0 HA TRP B 209 28.188 -22.654 17.107 1.00 23.72 H new ATOM 0 HB2 TRP B 209 29.598 -21.020 15.316 1.00 26.19 H new ATOM 0 HB3 TRP B 209 29.213 -22.492 14.973 1.00 26.19 H new ATOM 0 HD1 TRP B 209 27.692 -19.221 15.078 1.00 31.97 H new ATOM 0 HE1 TRP B 209 25.389 -19.252 14.342 1.00 33.51 H new ATOM 0 HE3 TRP B 209 26.971 -24.071 14.922 1.00 33.15 H new ATOM 0 HZ2 TRP B 209 23.461 -21.166 13.767 1.00 33.42 H new ATOM 0 HZ3 TRP B 209 24.894 -24.890 14.255 1.00 31.73 H new ATOM 0 HH2 TRP B 209 23.161 -23.460 13.744 1.00 32.09 H new ATOM 3850 N SER B 210 30.150 -24.071 17.420 1.00 24.42 N ATOM 3851 CA SER B 210 31.262 -24.856 17.921 1.00 25.97 C ATOM 3852 C SER B 210 32.481 -24.637 17.038 1.00 25.90 C ATOM 3853 O SER B 210 33.600 -24.736 17.533 1.00 26.66 O ATOM 3854 CB SER B 210 30.905 -26.335 17.965 1.00 27.10 C ATOM 3855 OG SER B 210 30.545 -26.770 16.660 1.00 30.65 O ATOM 0 H SER B 210 29.474 -24.533 17.156 1.00 24.42 H new ATOM 0 HA SER B 210 31.463 -24.567 18.825 1.00 25.97 H new ATOM 0 HB2 SER B 210 31.658 -26.851 18.293 1.00 27.10 H new ATOM 0 HB3 SER B 210 30.170 -26.483 18.581 1.00 27.10 H new ATOM 0 HG SER B 210 29.925 -27.334 16.714 1.00 30.65 H new ATOM 3856 N ASN B 211 32.268 -24.322 15.751 1.00 25.32 N ATOM 3857 CA ASN B 211 33.387 -24.058 14.828 1.00 26.29 C ATOM 3858 C ASN B 211 33.975 -22.631 14.921 1.00 25.21 C ATOM 3859 O ASN B 211 34.812 -22.255 14.112 1.00 26.42 O ATOM 3860 CB ASN B 211 32.991 -24.377 13.381 1.00 27.05 C ATOM 3861 CG ASN B 211 31.948 -23.406 12.829 1.00 31.81 C ATOM 3862 OD1 ASN B 211 30.912 -23.176 13.446 1.00 35.14 O ATOM 3863 ND2 ASN B 211 32.223 -22.830 11.648 1.00 37.47 N ATOM 0 H ASN B 211 31.488 -24.256 15.394 1.00 25.32 H new ATOM 0 HA ASN B 211 34.096 -24.655 15.114 1.00 26.29 H new ATOM 0 HB2 ASN B 211 33.782 -24.350 12.820 1.00 27.05 H new ATOM 0 HB3 ASN B 211 32.642 -25.281 13.337 1.00 27.05 H new ATOM 0 HD21 ASN B 211 31.664 -22.278 11.298 1.00 37.47 H new ATOM 0 HD22 ASN B 211 32.958 -23.013 11.241 1.00 37.47 H new ATOM 3864 N HIS B 212 33.507 -21.840 15.890 1.00 23.67 N ATOM 3865 CA HIS B 212 34.017 -20.478 16.113 1.00 23.01 C ATOM 3866 C HIS B 212 34.781 -20.360 17.429 1.00 22.44 C ATOM 3867 O HIS B 212 35.076 -19.255 17.865 1.00 21.55 O ATOM 3868 CB HIS B 212 32.877 -19.475 16.162 1.00 22.49 C ATOM 3869 CG HIS B 212 32.161 -19.298 14.863 1.00 24.90 C ATOM 3870 ND1 HIS B 212 31.025 -18.628 14.572 1.00 28.75 N flip ATOM 3871 CD2 HIS B 212 32.645 -19.776 13.666 1.00 24.59 C flip ATOM 3872 CE1 HIS B 212 30.823 -18.745 13.217 1.00 26.91 C flip ATOM 3873 NE2 HIS B 212 31.815 -19.439 12.692 1.00 27.60 N flip ATOM 0 H HIS B 212 32.886 -22.075 16.437 1.00 23.67 H new ATOM 0 HA HIS B 212 34.613 -20.290 15.371 1.00 23.01 H new ATOM 0 HB2 HIS B 212 32.239 -19.758 16.835 1.00 22.49 H new ATOM 0 HB3 HIS B 212 33.227 -18.616 16.446 1.00 22.49 H new ATOM 0 HD2 HIS B 212 33.432 -20.260 13.559 1.00 24.59 H new ATOM 0 HE1 HIS B 212 30.103 -18.392 12.746 1.00 26.91 H new ATOM 0 HE2 HIS B 212 31.906 -19.638 11.860 1.00 27.60 H new ATOM 3874 N MET B 213 35.062 -21.490 18.073 1.00 22.10 N ATOM 3875 CA MET B 213 35.693 -21.448 19.392 1.00 22.83 C ATOM 3876 C MET B 213 37.134 -20.936 19.365 1.00 22.55 C ATOM 3877 O MET B 213 37.544 -20.135 20.207 1.00 22.93 O ATOM 3878 CB MET B 213 35.615 -22.810 20.050 1.00 23.20 C ATOM 3879 CG MET B 213 34.194 -23.230 20.336 1.00 25.40 C ATOM 3880 SD MET B 213 33.376 -22.059 21.454 1.00 28.22 S ATOM 3881 CE MET B 213 31.690 -22.694 21.367 1.00 27.78 C ATOM 0 H MET B 213 34.899 -22.279 17.771 1.00 22.10 H new ATOM 0 HA MET B 213 35.194 -20.804 19.919 1.00 22.83 H new ATOM 0 HB2 MET B 213 36.035 -23.469 19.475 1.00 23.20 H new ATOM 0 HB3 MET B 213 36.118 -22.795 20.879 1.00 23.20 H new ATOM 0 HG2 MET B 213 33.698 -23.288 19.505 1.00 25.40 H new ATOM 0 HG3 MET B 213 34.189 -24.116 20.731 1.00 25.40 H new ATOM 0 HE1 MET B 213 31.084 -22.062 21.785 1.00 27.78 H new ATOM 0 HE2 MET B 213 31.438 -22.818 20.438 1.00 27.78 H new ATOM 0 HE3 MET B 213 31.640 -23.544 21.831 1.00 27.78 H new ATOM 3882 N ASP B 214 37.896 -21.418 18.399 1.00 22.67 N ATOM 3883 CA ASP B 214 39.272 -21.004 18.164 1.00 23.20 C ATOM 3884 C ASP B 214 39.358 -19.458 18.039 1.00 22.47 C ATOM 3885 O ASP B 214 40.158 -18.776 18.709 1.00 22.16 O ATOM 3886 CB ASP B 214 39.672 -21.686 16.842 1.00 23.46 C ATOM 3887 CG ASP B 214 41.131 -21.585 16.554 1.00 28.29 C ATOM 3888 OD1 ASP B 214 41.908 -21.444 17.527 1.00 32.48 O ATOM 3889 OD2 ASP B 214 41.495 -21.658 15.357 1.00 32.08 O ATOM 0 H ASP B 214 37.621 -22.014 17.843 1.00 22.67 H new ATOM 0 HA ASP B 214 39.862 -21.255 18.892 1.00 23.20 H new ATOM 0 HB2 ASP B 214 39.418 -22.622 16.877 1.00 23.46 H new ATOM 0 HB3 ASP B 214 39.175 -21.284 16.113 1.00 23.46 H new ATOM 3890 N GLN B 215 38.482 -18.918 17.195 1.00 22.48 N ATOM 3891 CA GLN B 215 38.340 -17.481 16.969 1.00 22.93 C ATOM 3892 C GLN B 215 37.934 -16.736 18.243 1.00 22.61 C ATOM 3893 O GLN B 215 38.399 -15.620 18.515 1.00 21.69 O ATOM 3894 CB GLN B 215 37.270 -17.240 15.887 1.00 22.44 C ATOM 3895 CG GLN B 215 37.654 -17.613 14.447 1.00 25.70 C ATOM 3896 CD GLN B 215 37.645 -19.105 14.128 1.00 31.21 C ATOM 3897 OE1 GLN B 215 36.993 -19.914 14.954 1.00 37.48 O flip ATOM 3898 NE2 GLN B 215 38.223 -19.517 13.120 1.00 26.51 N flip ATOM 0 H GLN B 215 37.939 -19.391 16.725 1.00 22.48 H new ATOM 0 HA GLN B 215 39.203 -17.141 16.684 1.00 22.93 H new ATOM 0 HB2 GLN B 215 36.476 -17.741 16.129 1.00 22.44 H new ATOM 0 HB3 GLN B 215 37.028 -16.301 15.903 1.00 22.44 H new ATOM 0 HG2 GLN B 215 37.044 -17.165 13.840 1.00 25.70 H new ATOM 0 HG3 GLN B 215 38.541 -17.265 14.265 1.00 25.70 H new ATOM 0 HE21 GLN B 215 38.636 -18.965 12.606 1.00 26.51 H new ATOM 0 HE22 GLN B 215 38.213 -20.356 12.931 1.00 26.51 H new ATOM 3899 N THR B 216 37.022 -17.351 18.998 1.00 22.91 N ATOM 3900 CA THR B 216 36.489 -16.749 20.218 1.00 23.22 C ATOM 3901 C THR B 216 37.575 -16.605 21.279 1.00 23.20 C ATOM 3902 O THR B 216 37.693 -15.540 21.877 1.00 22.99 O ATOM 3903 CB THR B 216 35.252 -17.506 20.737 1.00 22.89 C ATOM 3904 OG1 THR B 216 34.176 -17.327 19.794 1.00 24.90 O ATOM 3905 CG2 THR B 216 34.819 -16.944 22.094 1.00 23.89 C ATOM 0 H THR B 216 36.697 -18.126 18.817 1.00 22.91 H new ATOM 0 HA THR B 216 36.186 -15.854 19.999 1.00 23.22 H new ATOM 0 HB THR B 216 35.468 -18.446 20.837 1.00 22.89 H new ATOM 0 HG1 THR B 216 34.290 -17.839 19.138 1.00 24.90 H new ATOM 0 HG21 THR B 216 34.040 -17.427 22.411 1.00 23.89 H new ATOM 0 HG22 THR B 216 35.543 -17.044 22.732 1.00 23.89 H new ATOM 0 HG23 THR B 216 34.599 -16.004 22.000 1.00 23.89 H new ATOM 3906 N HIS B 217 38.384 -17.650 21.469 1.00 23.67 N ATOM 3907 CA HIS B 217 39.493 -17.576 22.413 1.00 24.68 C ATOM 3908 C HIS B 217 40.534 -16.549 22.024 1.00 24.13 C ATOM 3909 O HIS B 217 41.071 -15.837 22.902 1.00 24.80 O ATOM 3910 CB HIS B 217 40.131 -18.953 22.616 1.00 25.75 C ATOM 3911 CG HIS B 217 39.235 -19.907 23.342 1.00 29.41 C ATOM 3912 ND1 HIS B 217 38.772 -19.666 24.619 1.00 32.86 N ATOM 3913 CD2 HIS B 217 38.763 -21.130 22.993 1.00 31.37 C ATOM 3914 CE1 HIS B 217 38.041 -20.690 25.021 1.00 32.53 C ATOM 3915 NE2 HIS B 217 38.019 -21.591 24.053 1.00 32.96 N ATOM 0 H HIS B 217 38.306 -18.404 21.063 1.00 23.67 H new ATOM 0 HA HIS B 217 39.117 -17.279 23.257 1.00 24.68 H new ATOM 0 HB2 HIS B 217 40.363 -19.328 21.752 1.00 25.75 H new ATOM 0 HB3 HIS B 217 40.958 -18.851 23.112 1.00 25.75 H new ATOM 0 HD2 HIS B 217 38.914 -21.573 22.189 1.00 31.37 H new ATOM 0 HE1 HIS B 217 37.615 -20.765 25.844 1.00 32.53 H new ATOM 0 HE2 HIS B 217 37.606 -22.345 24.082 1.00 32.96 H new ATOM 3916 N LEU B 218 40.832 -16.454 20.731 1.00 22.98 N ATOM 3917 CA LEU B 218 41.719 -15.379 20.255 1.00 22.36 C ATOM 3918 C LEU B 218 41.137 -14.014 20.632 1.00 21.54 C ATOM 3919 O LEU B 218 41.818 -13.177 21.240 1.00 21.47 O ATOM 3920 CB LEU B 218 41.920 -15.464 18.738 1.00 22.26 C ATOM 3921 CG LEU B 218 42.770 -14.365 18.066 1.00 22.33 C ATOM 3922 CD1 LEU B 218 44.163 -14.289 18.684 1.00 26.25 C ATOM 3923 CD2 LEU B 218 42.828 -14.522 16.540 1.00 24.81 C ATOM 0 H LEU B 218 40.542 -16.986 20.121 1.00 22.98 H new ATOM 0 HA LEU B 218 42.583 -15.487 20.682 1.00 22.36 H new ATOM 0 HB2 LEU B 218 42.328 -16.321 18.538 1.00 22.26 H new ATOM 0 HB3 LEU B 218 41.045 -15.462 18.320 1.00 22.26 H new ATOM 0 HG LEU B 218 42.327 -13.519 18.236 1.00 22.33 H new ATOM 0 HD11 LEU B 218 44.675 -13.592 18.244 1.00 26.25 H new ATOM 0 HD12 LEU B 218 44.087 -14.086 19.630 1.00 26.25 H new ATOM 0 HD13 LEU B 218 44.614 -15.140 18.572 1.00 26.25 H new ATOM 0 HD21 LEU B 218 43.371 -13.812 16.162 1.00 24.81 H new ATOM 0 HD22 LEU B 218 43.219 -15.381 16.318 1.00 24.81 H new ATOM 0 HD23 LEU B 218 41.931 -14.472 16.175 1.00 24.81 H new ATOM 3924 N GLN B 219 39.883 -13.778 20.238 1.00 20.69 N ATOM 3925 CA GLN B 219 39.272 -12.465 20.420 1.00 21.03 C ATOM 3926 C GLN B 219 39.178 -12.093 21.919 1.00 21.66 C ATOM 3927 O GLN B 219 39.405 -10.948 22.319 1.00 22.39 O ATOM 3928 CB GLN B 219 37.888 -12.424 19.759 1.00 20.15 C ATOM 3929 CG GLN B 219 37.344 -11.008 19.757 1.00 19.63 C ATOM 3930 CD GLN B 219 36.157 -10.836 18.847 1.00 18.98 C ATOM 3931 OE1 GLN B 219 35.740 -11.923 18.204 1.00 22.62 O flip ATOM 3932 NE2 GLN B 219 35.605 -9.729 18.740 1.00 17.41 N flip ATOM 0 H GLN B 219 39.374 -14.363 19.866 1.00 20.69 H new ATOM 0 HA GLN B 219 39.839 -11.806 19.989 1.00 21.03 H new ATOM 0 HB2 GLN B 219 37.948 -12.755 18.849 1.00 20.15 H new ATOM 0 HB3 GLN B 219 37.279 -13.010 20.234 1.00 20.15 H new ATOM 0 HG2 GLN B 219 37.091 -10.763 20.661 1.00 19.63 H new ATOM 0 HG3 GLN B 219 38.046 -10.397 19.484 1.00 19.63 H new ATOM 0 HE21 GLN B 219 35.910 -9.053 19.175 1.00 17.41 H new ATOM 0 HE22 GLN B 219 34.918 -9.639 18.231 1.00 17.41 H new ATOM 3933 N LEU B 220 38.893 -13.085 22.747 1.00 22.05 N ATOM 3934 CA LEU B 220 38.836 -12.893 24.199 1.00 23.72 C ATOM 3935 C LEU B 220 40.193 -12.568 24.826 1.00 24.12 C ATOM 3936 O LEU B 220 40.244 -12.062 25.950 1.00 24.34 O ATOM 3937 CB LEU B 220 38.294 -14.153 24.840 1.00 23.65 C ATOM 3938 CG LEU B 220 36.890 -14.260 25.429 1.00 27.32 C ATOM 3939 CD1 LEU B 220 36.025 -12.968 25.443 1.00 23.73 C ATOM 3940 CD2 LEU B 220 36.160 -15.513 24.941 1.00 25.82 C ATOM 0 H LEU B 220 38.727 -13.889 22.490 1.00 22.05 H new ATOM 0 HA LEU B 220 38.259 -12.130 24.359 1.00 23.72 H new ATOM 0 HB2 LEU B 220 38.364 -14.852 24.171 1.00 23.65 H new ATOM 0 HB3 LEU B 220 38.908 -14.382 25.555 1.00 23.65 H new ATOM 0 HG LEU B 220 37.045 -14.372 26.380 1.00 27.32 H new ATOM 0 HD11 LEU B 220 35.161 -13.161 25.838 1.00 23.73 H new ATOM 0 HD12 LEU B 220 36.473 -12.284 25.965 1.00 23.73 H new ATOM 0 HD13 LEU B 220 35.901 -12.652 24.535 1.00 23.73 H new ATOM 0 HD21 LEU B 220 35.274 -15.546 25.335 1.00 25.82 H new ATOM 0 HD22 LEU B 220 36.082 -15.487 23.974 1.00 25.82 H new ATOM 0 HD23 LEU B 220 36.660 -16.302 25.203 1.00 25.82 H new ATOM 3941 N SER B 221 41.276 -12.869 24.116 1.00 24.61 N ATOM 3942 CA SER B 221 42.606 -12.525 24.621 1.00 25.38 C ATOM 3943 C SER B 221 42.942 -11.041 24.424 1.00 25.81 C ATOM 3944 O SER B 221 44.013 -10.603 24.839 1.00 26.48 O ATOM 3945 CB SER B 221 43.688 -13.365 23.945 1.00 25.83 C ATOM 3946 OG SER B 221 43.895 -12.974 22.595 1.00 26.18 O ATOM 0 H SER B 221 41.267 -13.265 23.353 1.00 24.61 H new ATOM 0 HA SER B 221 42.587 -12.714 25.572 1.00 25.38 H new ATOM 0 HB2 SER B 221 44.519 -13.279 24.438 1.00 25.83 H new ATOM 0 HB3 SER B 221 43.436 -14.301 23.975 1.00 25.83 H new ATOM 0 HG SER B 221 43.174 -12.687 22.273 1.00 26.18 H new ATOM 3947 N ARG B 222 42.049 -10.282 23.776 1.00 24.68 N ATOM 3948 CA ARG B 222 42.363 -8.929 23.331 1.00 24.06 C ATOM 3949 C ARG B 222 41.617 -7.900 24.166 1.00 24.55 C ATOM 3950 O ARG B 222 40.450 -8.096 24.530 1.00 23.83 O ATOM 3951 CB ARG B 222 42.001 -8.771 21.850 1.00 23.57 C ATOM 3952 CG ARG B 222 42.847 -9.588 20.918 1.00 22.28 C ATOM 3953 CD ARG B 222 42.319 -9.551 19.528 1.00 19.52 C ATOM 3954 NE ARG B 222 43.238 -10.132 18.560 1.00 20.77 N ATOM 3955 CZ ARG B 222 42.977 -10.238 17.261 1.00 23.48 C ATOM 3956 NH1 ARG B 222 43.865 -10.754 16.428 1.00 23.76 N ATOM 3957 NH2 ARG B 222 41.839 -9.779 16.781 1.00 21.32 N ATOM 0 H ARG B 222 41.251 -10.540 23.586 1.00 24.68 H new ATOM 0 HA ARG B 222 43.315 -8.780 23.444 1.00 24.06 H new ATOM 0 HB2 ARG B 222 41.071 -9.018 21.727 1.00 23.57 H new ATOM 0 HB3 ARG B 222 42.080 -7.835 21.606 1.00 23.57 H new ATOM 0 HG2 ARG B 222 43.757 -9.253 20.928 1.00 22.28 H new ATOM 0 HG3 ARG B 222 42.879 -10.506 21.229 1.00 22.28 H new ATOM 0 HD2 ARG B 222 41.475 -10.029 19.494 1.00 19.52 H new ATOM 0 HD3 ARG B 222 42.134 -8.631 19.281 1.00 19.52 H new ATOM 0 HE ARG B 222 43.995 -10.424 18.846 1.00 20.77 H new ATOM 0 HH11 ARG B 222 44.625 -11.027 16.724 1.00 23.76 H new ATOM 0 HH12 ARG B 222 43.683 -10.817 15.590 1.00 23.76 H new ATOM 0 HH21 ARG B 222 41.267 -9.412 17.308 1.00 21.32 H new ATOM 0 HH22 ARG B 222 41.668 -9.847 15.941 1.00 21.32 H new ATOM 3958 N GLU B 223 42.293 -6.800 24.476 1.00 24.94 N ATOM 3959 CA GLU B 223 41.691 -5.731 25.266 1.00 24.96 C ATOM 3960 C GLU B 223 40.969 -4.772 24.335 1.00 24.23 C ATOM 3961 O GLU B 223 41.541 -4.311 23.357 1.00 23.93 O ATOM 3962 CB GLU B 223 42.786 -5.008 26.076 1.00 26.08 C ATOM 3963 CG GLU B 223 42.299 -3.936 27.034 1.00 30.31 C ATOM 3964 CD GLU B 223 41.330 -4.436 28.134 1.00 35.89 C ATOM 3965 OE1 GLU B 223 41.305 -5.646 28.516 1.00 35.30 O ATOM 3966 OE2 GLU B 223 40.584 -3.570 28.634 1.00 38.65 O ATOM 0 H GLU B 223 43.106 -6.652 24.237 1.00 24.94 H new ATOM 0 HA GLU B 223 41.047 -6.097 25.892 1.00 24.96 H new ATOM 0 HB2 GLU B 223 43.280 -5.671 26.583 1.00 26.08 H new ATOM 0 HB3 GLU B 223 43.410 -4.603 25.454 1.00 26.08 H new ATOM 0 HG2 GLU B 223 43.069 -3.528 27.460 1.00 30.31 H new ATOM 0 HG3 GLU B 223 41.856 -3.241 26.523 1.00 30.31 H new ATOM 3967 N PRO B 224 39.685 -4.497 24.601 1.00 23.90 N ATOM 3968 CA PRO B 224 38.990 -3.541 23.725 1.00 23.36 C ATOM 3969 C PRO B 224 39.712 -2.208 23.600 1.00 23.53 C ATOM 3970 O PRO B 224 40.300 -1.724 24.566 1.00 23.32 O ATOM 3971 CB PRO B 224 37.643 -3.353 24.439 1.00 23.89 C ATOM 3972 CG PRO B 224 37.409 -4.623 25.104 1.00 23.24 C ATOM 3973 CD PRO B 224 38.786 -5.022 25.636 1.00 23.84 C ATOM 0 HA PRO B 224 38.925 -3.866 22.813 1.00 23.36 H new ATOM 0 HB2 PRO B 224 37.679 -2.622 25.075 1.00 23.89 H new ATOM 0 HB3 PRO B 224 36.934 -3.147 23.809 1.00 23.89 H new ATOM 0 HG2 PRO B 224 36.763 -4.534 25.822 1.00 23.24 H new ATOM 0 HG3 PRO B 224 37.060 -5.287 24.489 1.00 23.24 H new ATOM 0 HD2 PRO B 224 38.966 -4.630 26.505 1.00 23.84 H new ATOM 0 HD3 PRO B 224 38.871 -5.983 25.736 1.00 23.84 H new ATOM 3974 N ARG B 225 39.688 -1.641 22.409 1.00 23.36 N ATOM 3975 CA ARG B 225 40.220 -0.300 22.159 1.00 23.69 C ATOM 3976 C ARG B 225 39.098 0.732 22.353 1.00 23.85 C ATOM 3977 O ARG B 225 37.929 0.373 22.422 1.00 22.55 O ATOM 3978 CB ARG B 225 40.727 -0.188 20.725 1.00 24.51 C ATOM 3979 CG ARG B 225 41.729 -1.276 20.324 1.00 27.21 C ATOM 3980 CD ARG B 225 43.085 -0.695 20.294 1.00 30.32 C ATOM 3981 NE ARG B 225 44.121 -1.712 20.141 1.00 32.32 N ATOM 3982 CZ ARG B 225 44.642 -2.115 18.985 1.00 31.57 C ATOM 3983 NH1 ARG B 225 44.200 -1.634 17.820 1.00 32.04 N ATOM 3984 NH2 ARG B 225 45.614 -3.010 19.003 1.00 27.75 N ATOM 0 H ARG B 225 39.361 -2.021 21.711 1.00 23.36 H new ATOM 0 HA ARG B 225 40.950 -0.136 22.776 1.00 23.69 H new ATOM 0 HB2 ARG B 225 39.969 -0.223 20.121 1.00 24.51 H new ATOM 0 HB3 ARG B 225 41.144 0.680 20.607 1.00 24.51 H new ATOM 0 HG2 ARG B 225 41.694 -2.012 20.955 1.00 27.21 H new ATOM 0 HG3 ARG B 225 41.500 -1.637 19.453 1.00 27.21 H new ATOM 0 HD2 ARG B 225 43.147 -0.061 19.562 1.00 30.32 H new ATOM 0 HD3 ARG B 225 43.240 -0.199 21.113 1.00 30.32 H new ATOM 0 HE ARG B 225 44.419 -2.081 20.858 1.00 32.32 H new ATOM 0 HH11 ARG B 225 43.567 -1.052 17.807 1.00 32.04 H new ATOM 0 HH12 ARG B 225 44.549 -1.906 17.082 1.00 32.04 H new ATOM 0 HH21 ARG B 225 45.898 -3.321 19.753 1.00 27.75 H new ATOM 0 HH22 ARG B 225 45.962 -3.282 18.265 1.00 27.75 H new ATOM 3985 N PRO B 226 39.458 2.028 22.394 1.00 23.39 N ATOM 3986 CA PRO B 226 38.428 3.025 22.516 1.00 22.12 C ATOM 3987 C PRO B 226 37.567 3.001 21.253 1.00 21.34 C ATOM 3988 O PRO B 226 38.006 2.556 20.204 1.00 21.02 O ATOM 3989 CB PRO B 226 39.218 4.345 22.644 1.00 22.21 C ATOM 3990 CG PRO B 226 40.680 3.919 22.997 1.00 23.42 C ATOM 3991 CD PRO B 226 40.817 2.612 22.293 1.00 23.98 C ATOM 0 HA PRO B 226 37.827 2.892 23.265 1.00 22.12 H new ATOM 0 HB2 PRO B 226 39.191 4.851 21.817 1.00 22.21 H new ATOM 0 HB3 PRO B 226 38.842 4.912 23.335 1.00 22.21 H new ATOM 0 HG2 PRO B 226 41.330 4.567 22.684 1.00 23.42 H new ATOM 0 HG3 PRO B 226 40.808 3.828 23.954 1.00 23.42 H new ATOM 0 HD2 PRO B 226 41.089 2.729 21.369 1.00 23.98 H new ATOM 0 HD3 PRO B 226 41.482 2.046 22.715 1.00 23.98 H new ATOM 3992 N LEU B 227 36.315 3.405 21.396 1.00 20.89 N ATOM 3993 CA LEU B 227 35.414 3.431 20.252 1.00 19.98 C ATOM 3994 C LEU B 227 35.632 4.618 19.323 1.00 20.64 C ATOM 3995 O LEU B 227 36.037 5.694 19.747 1.00 20.38 O ATOM 3996 CB LEU B 227 33.970 3.420 20.731 1.00 20.23 C ATOM 3997 CG LEU B 227 33.436 2.113 21.340 1.00 20.40 C ATOM 3998 CD1 LEU B 227 31.964 2.393 21.809 1.00 21.58 C ATOM 3999 CD2 LEU B 227 33.522 0.951 20.333 1.00 20.79 C ATOM 0 H LEU B 227 35.968 3.666 22.138 1.00 20.89 H new ATOM 0 HA LEU B 227 35.612 2.635 19.734 1.00 19.98 H new ATOM 0 HB2 LEU B 227 33.868 4.122 21.392 1.00 20.23 H new ATOM 0 HB3 LEU B 227 33.403 3.654 19.979 1.00 20.23 H new ATOM 0 HG LEU B 227 33.975 1.837 22.098 1.00 20.40 H new ATOM 0 HD11 LEU B 227 31.590 1.588 22.201 1.00 21.58 H new ATOM 0 HD12 LEU B 227 31.964 3.104 22.469 1.00 21.58 H new ATOM 0 HD13 LEU B 227 31.427 2.660 21.047 1.00 21.58 H new ATOM 0 HD21 LEU B 227 33.179 0.141 20.743 1.00 20.79 H new ATOM 0 HD22 LEU B 227 32.994 1.164 19.547 1.00 20.79 H new ATOM 0 HD23 LEU B 227 34.447 0.815 20.074 1.00 20.79 H new ATOM 4000 N PRO B 228 35.304 4.441 18.038 1.00 19.94 N ATOM 4001 CA PRO B 228 35.384 5.527 17.075 1.00 20.85 C ATOM 4002 C PRO B 228 34.214 6.510 17.170 1.00 21.16 C ATOM 4003 O PRO B 228 33.269 6.292 17.939 1.00 21.69 O ATOM 4004 CB PRO B 228 35.303 4.787 15.730 1.00 20.59 C ATOM 4005 CG PRO B 228 34.365 3.650 16.031 1.00 19.28 C ATOM 4006 CD PRO B 228 34.799 3.188 17.431 1.00 19.99 C ATOM 0 HA PRO B 228 36.181 6.063 17.212 1.00 20.85 H new ATOM 0 HB2 PRO B 228 34.961 5.359 15.025 1.00 20.59 H new ATOM 0 HB3 PRO B 228 36.173 4.469 15.441 1.00 20.59 H new ATOM 0 HG2 PRO B 228 33.439 3.939 16.021 1.00 19.28 H new ATOM 0 HG3 PRO B 228 34.447 2.937 15.378 1.00 19.28 H new ATOM 0 HD2 PRO B 228 34.058 2.816 17.934 1.00 19.99 H new ATOM 0 HD3 PRO B 228 35.486 2.504 17.389 1.00 19.99 H new ATOM 4007 N LYS B 229 34.276 7.576 16.365 1.00 21.22 N ATOM 4008 CA LYS B 229 33.174 8.535 16.235 1.00 20.94 C ATOM 4009 C LYS B 229 32.461 8.382 14.888 1.00 20.83 C ATOM 4010 O LYS B 229 33.101 8.356 13.833 1.00 20.92 O ATOM 4011 CB LYS B 229 33.711 9.981 16.394 1.00 20.95 C ATOM 4012 CG LYS B 229 32.713 11.086 16.034 1.00 20.76 C ATOM 4013 CD LYS B 229 33.291 12.484 16.281 1.00 21.59 C ATOM 4014 CE LYS B 229 32.356 13.566 15.732 1.00 23.71 C ATOM 4015 NZ LYS B 229 32.785 14.969 16.091 1.00 27.80 N ATOM 0 H LYS B 229 34.960 7.763 15.878 1.00 21.22 H new ATOM 0 HA LYS B 229 32.529 8.353 16.937 1.00 20.94 H new ATOM 0 HB2 LYS B 229 33.995 10.107 17.313 1.00 20.95 H new ATOM 0 HB3 LYS B 229 34.499 10.082 15.838 1.00 20.95 H new ATOM 0 HG2 LYS B 229 32.460 11.001 15.101 1.00 20.76 H new ATOM 0 HG3 LYS B 229 31.904 10.974 16.558 1.00 20.76 H new ATOM 0 HD2 LYS B 229 33.425 12.619 17.232 1.00 21.59 H new ATOM 0 HD3 LYS B 229 34.161 12.558 15.858 1.00 21.59 H new ATOM 0 HE2 LYS B 229 32.311 13.486 14.766 1.00 23.71 H new ATOM 0 HE3 LYS B 229 31.460 13.412 16.071 1.00 23.71 H new ATOM 0 HZ1 LYS B 229 32.208 15.553 15.748 1.00 27.80 H new ATOM 0 HZ2 LYS B 229 32.804 15.057 16.976 1.00 27.80 H new ATOM 0 HZ3 LYS B 229 33.597 15.125 15.761 1.00 27.80 H new ATOM 4016 N LEU B 230 31.132 8.318 14.938 1.00 21.33 N ATOM 4017 CA LEU B 230 30.312 8.353 13.737 1.00 20.98 C ATOM 4018 C LEU B 230 30.035 9.785 13.302 1.00 22.13 C ATOM 4019 O LEU B 230 29.612 10.615 14.111 1.00 21.72 O ATOM 4020 CB LEU B 230 28.990 7.652 13.987 1.00 22.04 C ATOM 4021 CG LEU B 230 28.029 7.733 12.780 1.00 21.18 C ATOM 4022 CD1 LEU B 230 28.552 6.885 11.609 1.00 21.12 C ATOM 4023 CD2 LEU B 230 26.653 7.299 13.191 1.00 20.03 C ATOM 0 H LEU B 230 30.684 8.253 15.669 1.00 21.33 H new ATOM 0 HA LEU B 230 30.801 7.899 13.033 1.00 20.98 H new ATOM 0 HB2 LEU B 230 29.158 6.720 14.199 1.00 22.04 H new ATOM 0 HB3 LEU B 230 28.562 8.046 14.763 1.00 22.04 H new ATOM 0 HG LEU B 230 27.983 8.653 12.477 1.00 21.18 H new ATOM 0 HD11 LEU B 230 27.936 6.949 10.862 1.00 21.12 H new ATOM 0 HD12 LEU B 230 29.424 7.211 11.337 1.00 21.12 H new ATOM 0 HD13 LEU B 230 28.626 5.959 11.888 1.00 21.12 H new ATOM 0 HD21 LEU B 230 26.055 7.352 12.429 1.00 20.03 H new ATOM 0 HD22 LEU B 230 26.685 6.385 13.513 1.00 20.03 H new ATOM 0 HD23 LEU B 230 26.328 7.879 13.897 1.00 20.03 H new ATOM 4024 N ILE B 231 30.269 10.074 12.031 1.00 22.07 N ATOM 4025 CA ILE B 231 29.864 11.369 11.468 1.00 23.12 C ATOM 4026 C ILE B 231 28.783 11.136 10.425 1.00 23.16 C ATOM 4027 O ILE B 231 28.949 10.292 9.558 1.00 22.65 O ATOM 4028 CB ILE B 231 31.038 12.096 10.803 1.00 23.73 C ATOM 4029 CG1 ILE B 231 32.048 12.507 11.877 1.00 25.56 C ATOM 4030 CG2 ILE B 231 30.557 13.378 10.065 1.00 23.35 C ATOM 4031 CD1 ILE B 231 33.430 12.691 11.337 1.00 27.55 C ATOM 0 H ILE B 231 30.657 9.544 11.476 1.00 22.07 H new ATOM 0 HA ILE B 231 29.538 11.922 12.195 1.00 23.12 H new ATOM 0 HB ILE B 231 31.442 11.494 10.159 1.00 23.73 H new ATOM 0 HG12 ILE B 231 31.755 13.334 12.291 1.00 25.56 H new ATOM 0 HG13 ILE B 231 32.065 11.832 12.573 1.00 25.56 H new ATOM 0 HG21 ILE B 231 31.317 13.819 9.654 1.00 23.35 H new ATOM 0 HG22 ILE B 231 29.914 13.135 9.380 1.00 23.35 H new ATOM 0 HG23 ILE B 231 30.139 13.980 10.701 1.00 23.35 H new ATOM 0 HD11 ILE B 231 34.027 12.950 12.056 1.00 27.55 H new ATOM 0 HD12 ILE B 231 33.738 11.859 10.945 1.00 27.55 H new ATOM 0 HD13 ILE B 231 33.423 13.384 10.658 1.00 27.55 H new ATOM 4032 N ILE B 232 27.677 11.854 10.553 1.00 24.11 N ATOM 4033 CA ILE B 232 26.704 11.908 9.458 1.00 25.01 C ATOM 4034 C ILE B 232 26.911 13.260 8.796 1.00 26.53 C ATOM 4035 O ILE B 232 26.856 14.296 9.455 1.00 25.20 O ATOM 4036 CB ILE B 232 25.256 11.709 9.928 1.00 24.49 C ATOM 4037 CG1 ILE B 232 25.121 10.371 10.678 1.00 23.90 C ATOM 4038 CG2 ILE B 232 24.298 11.749 8.709 1.00 24.45 C ATOM 4039 CD1 ILE B 232 23.765 10.182 11.426 1.00 24.73 C ATOM 0 H ILE B 232 27.468 12.312 11.250 1.00 24.11 H new ATOM 0 HA ILE B 232 26.848 11.178 8.835 1.00 25.01 H new ATOM 0 HB ILE B 232 25.017 12.426 10.536 1.00 24.49 H new ATOM 0 HG12 ILE B 232 25.231 9.645 10.044 1.00 23.90 H new ATOM 0 HG13 ILE B 232 25.844 10.299 11.320 1.00 23.90 H new ATOM 0 HG21 ILE B 232 23.385 11.623 9.011 1.00 24.45 H new ATOM 0 HG22 ILE B 232 24.376 12.608 8.264 1.00 24.45 H new ATOM 0 HG23 ILE B 232 24.534 11.042 8.089 1.00 24.45 H new ATOM 0 HD11 ILE B 232 23.758 9.320 11.871 1.00 24.73 H new ATOM 0 HD12 ILE B 232 23.658 10.886 12.085 1.00 24.73 H new ATOM 0 HD13 ILE B 232 23.035 10.222 10.788 1.00 24.73 H new ATOM 4040 N LYS B 233 27.182 13.249 7.495 1.00 29.05 N ATOM 4041 CA LYS B 233 27.692 14.469 6.826 1.00 32.58 C ATOM 4042 C LYS B 233 26.617 15.452 6.351 1.00 33.13 C ATOM 4043 O LYS B 233 26.915 16.568 5.919 1.00 33.83 O ATOM 4044 CB LYS B 233 28.691 14.109 5.707 1.00 31.92 C ATOM 4045 CG LYS B 233 28.190 13.094 4.733 1.00 35.01 C ATOM 4046 CD LYS B 233 29.169 12.835 3.553 1.00 35.79 C ATOM 4047 CE LYS B 233 28.618 13.368 2.184 1.00 37.97 C ATOM 4048 NZ LYS B 233 27.105 13.244 1.997 1.00 35.56 N ATOM 0 H LYS B 233 27.084 12.566 6.981 1.00 29.05 H new ATOM 0 HA LYS B 233 28.163 14.960 7.517 1.00 32.58 H new ATOM 0 HB2 LYS B 233 28.923 14.917 5.224 1.00 31.92 H new ATOM 0 HB3 LYS B 233 29.507 13.777 6.112 1.00 31.92 H new ATOM 0 HG2 LYS B 233 28.029 12.259 5.200 1.00 35.01 H new ATOM 0 HG3 LYS B 233 27.337 13.390 4.378 1.00 35.01 H new ATOM 0 HD2 LYS B 233 30.019 13.261 3.743 1.00 35.79 H new ATOM 0 HD3 LYS B 233 29.339 11.883 3.481 1.00 35.79 H new ATOM 0 HE2 LYS B 233 28.865 14.302 2.094 1.00 37.97 H new ATOM 0 HE3 LYS B 233 29.058 12.888 1.466 1.00 37.97 H new ATOM 0 HZ1 LYS B 233 26.906 13.315 1.133 1.00 35.56 H new ATOM 0 HZ2 LYS B 233 26.832 12.453 2.300 1.00 35.56 H new ATOM 0 HZ3 LYS B 233 26.696 13.892 2.449 1.00 35.56 H new ATOM 4049 N ARG B 234 25.363 15.044 6.455 1.00 34.09 N ATOM 4050 CA ARG B 234 24.261 15.768 5.859 1.00 34.47 C ATOM 4051 C ARG B 234 23.059 15.424 6.700 1.00 34.90 C ATOM 4052 O ARG B 234 23.039 14.372 7.330 1.00 35.30 O ATOM 4053 CB ARG B 234 24.087 15.217 4.446 1.00 35.12 C ATOM 4054 CG ARG B 234 22.983 15.759 3.641 1.00 35.63 C ATOM 4055 CD ARG B 234 23.069 15.185 2.244 1.00 33.26 C ATOM 4056 NE ARG B 234 22.690 13.779 2.150 1.00 31.49 N ATOM 4057 CZ ARG B 234 21.455 13.350 1.874 1.00 31.26 C ATOM 4058 NH1 ARG B 234 20.471 14.220 1.724 1.00 32.20 N ATOM 4059 NH2 ARG B 234 21.200 12.051 1.779 1.00 27.45 N ATOM 0 H ARG B 234 25.128 14.333 6.877 1.00 34.09 H new ATOM 0 HA ARG B 234 24.393 16.728 5.820 1.00 34.47 H new ATOM 0 HB2 ARG B 234 24.914 15.368 3.961 1.00 35.12 H new ATOM 0 HB3 ARG B 234 23.967 14.257 4.511 1.00 35.12 H new ATOM 0 HG2 ARG B 234 22.131 15.533 4.045 1.00 35.63 H new ATOM 0 HG3 ARG B 234 23.034 16.727 3.610 1.00 35.63 H new ATOM 0 HD2 ARG B 234 22.497 15.704 1.657 1.00 33.26 H new ATOM 0 HD3 ARG B 234 23.977 15.287 1.919 1.00 33.26 H new ATOM 0 HE ARG B 234 23.301 13.188 2.281 1.00 31.49 H new ATOM 0 HH11 ARG B 234 20.626 15.062 1.804 1.00 32.20 H new ATOM 0 HH12 ARG B 234 19.676 13.944 1.546 1.00 32.20 H new ATOM 0 HH21 ARG B 234 21.832 11.479 1.895 1.00 27.45 H new ATOM 0 HH22 ARG B 234 20.403 11.781 1.601 1.00 27.45 H new ATOM 4060 N LYS B 235 22.069 16.302 6.744 1.00 33.96 N ATOM 4061 CA LYS B 235 20.780 15.933 7.335 1.00 33.79 C ATOM 4062 C LYS B 235 19.702 15.755 6.271 1.00 33.14 C ATOM 4063 O LYS B 235 19.101 16.737 5.835 1.00 33.44 O ATOM 4064 CB LYS B 235 20.339 16.974 8.355 1.00 33.23 C ATOM 4065 CG LYS B 235 19.370 16.419 9.323 1.00 35.58 C ATOM 4066 CD LYS B 235 18.055 17.081 9.282 1.00 38.10 C ATOM 4067 CE LYS B 235 17.576 17.171 10.694 1.00 39.38 C ATOM 4068 NZ LYS B 235 16.174 17.592 10.793 1.00 41.58 N ATOM 0 H LYS B 235 22.115 17.107 6.444 1.00 33.96 H new ATOM 0 HA LYS B 235 20.901 15.081 7.783 1.00 33.79 H new ATOM 0 HB2 LYS B 235 21.115 17.310 8.831 1.00 33.23 H new ATOM 0 HB3 LYS B 235 19.940 17.729 7.895 1.00 33.23 H new ATOM 0 HG2 LYS B 235 19.253 15.472 9.147 1.00 35.58 H new ATOM 0 HG3 LYS B 235 19.736 16.498 10.218 1.00 35.58 H new ATOM 0 HD2 LYS B 235 18.126 17.963 8.885 1.00 38.10 H new ATOM 0 HD3 LYS B 235 17.431 16.575 8.738 1.00 38.10 H new ATOM 0 HE2 LYS B 235 17.681 16.307 11.122 1.00 39.38 H new ATOM 0 HE3 LYS B 235 18.133 17.799 11.181 1.00 39.38 H new ATOM 0 HZ1 LYS B 235 15.935 17.631 11.649 1.00 41.58 H new ATOM 0 HZ2 LYS B 235 16.078 18.395 10.422 1.00 41.58 H new ATOM 0 HZ3 LYS B 235 15.657 17.006 10.368 1.00 41.58 H new ATOM 4069 N PRO B 236 19.436 14.504 5.862 1.00 32.76 N ATOM 4070 CA PRO B 236 18.421 14.253 4.822 1.00 32.47 C ATOM 4071 C PRO B 236 17.024 14.729 5.221 1.00 32.62 C ATOM 4072 O PRO B 236 16.736 14.933 6.395 1.00 31.77 O ATOM 4073 CB PRO B 236 18.452 12.721 4.653 1.00 32.07 C ATOM 4074 CG PRO B 236 19.815 12.316 5.212 1.00 31.78 C ATOM 4075 CD PRO B 236 20.065 13.252 6.335 1.00 32.44 C ATOM 0 HA PRO B 236 18.617 14.741 4.007 1.00 32.47 H new ATOM 0 HB2 PRO B 236 17.728 12.295 5.138 1.00 32.07 H new ATOM 0 HB3 PRO B 236 18.359 12.464 3.722 1.00 32.07 H new ATOM 0 HG2 PRO B 236 19.810 11.395 5.517 1.00 31.78 H new ATOM 0 HG3 PRO B 236 20.507 12.387 4.536 1.00 31.78 H new ATOM 0 HD2 PRO B 236 19.666 12.938 7.161 1.00 32.44 H new ATOM 0 HD3 PRO B 236 21.013 13.367 6.504 1.00 32.44 H new ATOM 4076 N GLU B 237 16.152 14.885 4.230 1.00 33.42 N ATOM 4077 CA GLU B 237 14.822 15.436 4.458 1.00 34.41 C ATOM 4078 C GLU B 237 13.908 14.411 5.124 1.00 32.29 C ATOM 4079 O GLU B 237 12.850 14.766 5.671 1.00 31.39 O ATOM 4080 CB GLU B 237 14.222 15.843 3.112 1.00 34.60 C ATOM 4081 CG GLU B 237 13.106 16.873 3.195 1.00 39.43 C ATOM 4082 CD GLU B 237 12.563 17.264 1.798 1.00 39.38 C ATOM 4083 OE1 GLU B 237 12.419 16.342 0.941 1.00 46.40 O ATOM 4084 OE2 GLU B 237 12.279 18.478 1.571 1.00 44.79 O ATOM 0 H GLU B 237 16.314 14.676 3.412 1.00 33.42 H new ATOM 0 HA GLU B 237 14.899 16.203 5.046 1.00 34.41 H new ATOM 0 HB2 GLU B 237 14.930 16.196 2.551 1.00 34.60 H new ATOM 0 HB3 GLU B 237 13.880 15.049 2.672 1.00 34.60 H new ATOM 0 HG2 GLU B 237 12.381 16.519 3.734 1.00 39.43 H new ATOM 0 HG3 GLU B 237 13.434 17.667 3.646 1.00 39.43 H new ATOM 4085 N SER B 238 14.289 13.133 5.019 1.00 29.78 N ATOM 4086 CA SER B 238 13.553 12.068 5.685 1.00 28.15 C ATOM 4087 C SER B 238 14.447 10.877 6.016 1.00 27.19 C ATOM 4088 O SER B 238 15.525 10.703 5.433 1.00 26.68 O ATOM 4089 CB SER B 238 12.329 11.627 4.851 1.00 28.23 C ATOM 4090 OG SER B 238 12.524 10.394 4.200 1.00 28.37 O ATOM 0 H SER B 238 14.971 12.868 4.566 1.00 29.78 H new ATOM 0 HA SER B 238 13.230 12.428 6.526 1.00 28.15 H new ATOM 0 HB2 SER B 238 11.555 11.562 5.431 1.00 28.23 H new ATOM 0 HB3 SER B 238 12.131 12.309 4.190 1.00 28.23 H new ATOM 0 HG SER B 238 11.926 9.854 4.438 1.00 28.37 H new ATOM 4091 N ILE B 239 13.943 10.040 6.918 1.00 26.27 N ATOM 4092 CA ILE B 239 14.552 8.735 7.281 1.00 26.09 C ATOM 4093 C ILE B 239 14.782 7.817 6.071 1.00 25.70 C ATOM 4094 O ILE B 239 15.613 6.886 6.118 1.00 25.92 O ATOM 4095 CB ILE B 239 13.657 8.015 8.377 1.00 25.37 C ATOM 4096 CG1 ILE B 239 14.403 6.919 9.139 1.00 25.92 C ATOM 4097 CG2 ILE B 239 12.324 7.506 7.786 1.00 24.81 C ATOM 4098 CD1 ILE B 239 15.783 7.335 9.657 1.00 23.80 C ATOM 0 H ILE B 239 13.220 10.208 7.353 1.00 26.27 H new ATOM 0 HA ILE B 239 15.432 8.919 7.646 1.00 26.09 H new ATOM 0 HB ILE B 239 13.441 8.694 9.035 1.00 25.37 H new ATOM 0 HG12 ILE B 239 13.859 6.636 9.891 1.00 25.92 H new ATOM 0 HG13 ILE B 239 14.506 6.149 8.558 1.00 25.92 H new ATOM 0 HG21 ILE B 239 11.805 7.073 8.482 1.00 24.81 H new ATOM 0 HG22 ILE B 239 11.822 8.255 7.427 1.00 24.81 H new ATOM 0 HG23 ILE B 239 12.506 6.870 7.077 1.00 24.81 H new ATOM 0 HD11 ILE B 239 16.191 6.590 10.127 1.00 23.80 H new ATOM 0 HD12 ILE B 239 16.345 7.592 8.910 1.00 23.80 H new ATOM 0 HD13 ILE B 239 15.688 8.086 10.263 1.00 23.80 H new ATOM 4099 N PHE B 240 14.059 8.095 4.978 1.00 25.43 N ATOM 4100 CA PHE B 240 14.156 7.264 3.773 1.00 25.31 C ATOM 4101 C PHE B 240 15.096 7.814 2.727 1.00 26.57 C ATOM 4102 O PHE B 240 15.217 7.230 1.633 1.00 25.90 O ATOM 4103 CB PHE B 240 12.772 7.037 3.159 1.00 25.29 C ATOM 4104 CG PHE B 240 11.772 6.588 4.158 1.00 24.83 C ATOM 4105 CD1 PHE B 240 11.937 5.352 4.814 1.00 20.98 C ATOM 4106 CD2 PHE B 240 10.708 7.415 4.498 1.00 22.01 C ATOM 4107 CE1 PHE B 240 11.031 4.942 5.794 1.00 19.32 C ATOM 4108 CE2 PHE B 240 9.786 7.007 5.439 1.00 24.62 C ATOM 4109 CZ PHE B 240 9.952 5.767 6.106 1.00 23.15 C ATOM 0 H PHE B 240 13.511 8.755 4.915 1.00 25.43 H new ATOM 0 HA PHE B 240 14.531 6.419 4.067 1.00 25.31 H new ATOM 0 HB2 PHE B 240 12.466 7.860 2.747 1.00 25.29 H new ATOM 0 HB3 PHE B 240 12.839 6.375 2.454 1.00 25.29 H new ATOM 0 HD1 PHE B 240 12.655 4.805 4.592 1.00 20.98 H new ATOM 0 HD2 PHE B 240 10.618 8.246 4.090 1.00 22.01 H new ATOM 0 HE1 PHE B 240 11.146 4.130 6.232 1.00 19.32 H new ATOM 0 HE2 PHE B 240 9.054 7.546 5.636 1.00 24.62 H new ATOM 0 HZ PHE B 240 9.339 5.503 6.754 1.00 23.15 H new ATOM 4110 N ASP B 241 15.744 8.936 3.047 1.00 26.90 N ATOM 4111 CA ASP B 241 16.615 9.610 2.096 1.00 28.20 C ATOM 4112 C ASP B 241 18.108 9.571 2.416 1.00 26.99 C ATOM 4113 O ASP B 241 18.884 10.313 1.795 1.00 26.13 O ATOM 4114 CB ASP B 241 16.159 11.057 1.911 1.00 28.70 C ATOM 4115 CG ASP B 241 14.701 11.164 1.458 1.00 34.63 C ATOM 4116 OD1 ASP B 241 14.242 10.326 0.645 1.00 36.95 O ATOM 4117 OD2 ASP B 241 14.012 12.098 1.942 1.00 40.89 O ATOM 0 H ASP B 241 15.689 9.321 3.814 1.00 26.90 H new ATOM 0 HA ASP B 241 16.526 9.103 1.274 1.00 28.20 H new ATOM 0 HB2 ASP B 241 16.270 11.536 2.747 1.00 28.70 H new ATOM 0 HB3 ASP B 241 16.729 11.491 1.257 1.00 28.70 H new ATOM 4118 N TYR B 242 18.524 8.762 3.396 1.00 26.27 N ATOM 4119 CA TYR B 242 19.970 8.580 3.616 1.00 25.76 C ATOM 4120 C TYR B 242 20.664 7.856 2.466 1.00 26.75 C ATOM 4121 O TYR B 242 20.058 7.064 1.729 1.00 26.68 O ATOM 4122 CB TYR B 242 20.287 7.885 4.946 1.00 24.82 C ATOM 4123 CG TYR B 242 19.969 8.753 6.113 1.00 23.08 C ATOM 4124 CD1 TYR B 242 18.650 8.922 6.541 1.00 24.67 C ATOM 4125 CD2 TYR B 242 20.970 9.445 6.774 1.00 23.89 C ATOM 4126 CE1 TYR B 242 18.357 9.753 7.632 1.00 22.64 C ATOM 4127 CE2 TYR B 242 20.680 10.262 7.851 1.00 20.58 C ATOM 4128 CZ TYR B 242 19.385 10.408 8.279 1.00 23.60 C ATOM 4129 OH TYR B 242 19.139 11.249 9.337 1.00 23.55 O ATOM 0 H TYR B 242 18.010 8.323 3.928 1.00 26.27 H new ATOM 0 HA TYR B 242 20.328 9.481 3.656 1.00 25.76 H new ATOM 0 HB2 TYR B 242 19.780 7.060 5.009 1.00 24.82 H new ATOM 0 HB3 TYR B 242 21.226 7.643 4.969 1.00 24.82 H new ATOM 0 HD1 TYR B 242 17.961 8.480 6.099 1.00 24.67 H new ATOM 0 HD2 TYR B 242 21.851 9.359 6.489 1.00 23.89 H new ATOM 0 HE1 TYR B 242 17.478 9.862 7.917 1.00 22.64 H new ATOM 0 HE2 TYR B 242 21.366 10.714 8.287 1.00 20.58 H new ATOM 0 HH TYR B 242 19.853 11.629 9.565 1.00 23.55 H new ATOM 4130 N ARG B 243 21.953 8.156 2.332 1.00 27.53 N ATOM 4131 CA ARG B 243 22.794 7.587 1.297 1.00 28.79 C ATOM 4132 C ARG B 243 24.032 7.004 1.954 1.00 27.29 C ATOM 4133 O ARG B 243 24.508 7.494 2.986 1.00 25.12 O ATOM 4134 CB ARG B 243 23.199 8.681 0.286 1.00 29.47 C ATOM 4135 CG ARG B 243 22.014 9.335 -0.483 1.00 32.35 C ATOM 4136 CD ARG B 243 22.381 10.710 -1.113 1.00 33.85 C ATOM 4137 NE ARG B 243 23.747 10.732 -1.639 1.00 44.80 N ATOM 4138 CZ ARG B 243 24.733 11.531 -1.207 1.00 48.01 C ATOM 4139 NH1 ARG B 243 24.518 12.422 -0.239 1.00 48.70 N ATOM 4140 NH2 ARG B 243 25.946 11.446 -1.761 1.00 49.86 N ATOM 0 H ARG B 243 22.365 8.705 2.850 1.00 27.53 H new ATOM 0 HA ARG B 243 22.312 6.893 0.821 1.00 28.79 H new ATOM 0 HB2 ARG B 243 23.684 9.376 0.758 1.00 29.47 H new ATOM 0 HB3 ARG B 243 23.813 8.296 -0.359 1.00 29.47 H new ATOM 0 HG2 ARG B 243 21.718 8.733 -1.184 1.00 32.35 H new ATOM 0 HG3 ARG B 243 21.267 9.452 0.124 1.00 32.35 H new ATOM 0 HD2 ARG B 243 21.758 10.913 -1.828 1.00 33.85 H new ATOM 0 HD3 ARG B 243 22.282 11.406 -0.445 1.00 33.85 H new ATOM 0 HE ARG B 243 23.932 10.187 -2.278 1.00 44.80 H new ATOM 0 HH11 ARG B 243 23.738 12.490 0.117 1.00 48.70 H new ATOM 0 HH12 ARG B 243 25.159 12.929 0.029 1.00 48.70 H new ATOM 0 HH21 ARG B 243 26.092 10.880 -2.392 1.00 49.86 H new ATOM 0 HH22 ARG B 243 26.581 11.957 -1.486 1.00 49.86 H new ATOM 4141 N PHE B 244 24.544 5.942 1.353 1.00 26.01 N ATOM 4142 CA PHE B 244 25.745 5.328 1.849 1.00 26.47 C ATOM 4143 C PHE B 244 26.832 6.355 2.195 1.00 26.02 C ATOM 4144 O PHE B 244 27.528 6.230 3.203 1.00 25.57 O ATOM 4145 CB PHE B 244 26.281 4.319 0.846 1.00 26.17 C ATOM 4146 CG PHE B 244 27.596 3.709 1.274 1.00 27.76 C ATOM 4147 CD1 PHE B 244 27.627 2.692 2.226 1.00 28.30 C ATOM 4148 CD2 PHE B 244 28.790 4.187 0.766 1.00 28.58 C ATOM 4149 CE1 PHE B 244 28.826 2.152 2.642 1.00 28.59 C ATOM 4150 CE2 PHE B 244 30.002 3.634 1.175 1.00 31.33 C ATOM 4151 CZ PHE B 244 30.018 2.625 2.115 1.00 27.21 C ATOM 0 H PHE B 244 24.206 5.566 0.657 1.00 26.01 H new ATOM 0 HA PHE B 244 25.508 4.872 2.671 1.00 26.47 H new ATOM 0 HB2 PHE B 244 25.627 3.613 0.723 1.00 26.17 H new ATOM 0 HB3 PHE B 244 26.395 4.753 -0.014 1.00 26.17 H new ATOM 0 HD1 PHE B 244 26.830 2.374 2.585 1.00 28.30 H new ATOM 0 HD2 PHE B 244 28.784 4.882 0.148 1.00 28.58 H new ATOM 0 HE1 PHE B 244 28.835 1.471 3.275 1.00 28.59 H new ATOM 0 HE2 PHE B 244 30.800 3.946 0.814 1.00 31.33 H new ATOM 0 HZ PHE B 244 30.827 2.262 2.395 1.00 27.21 H new ATOM 4152 N GLU B 245 26.973 7.371 1.351 1.00 26.09 N ATOM 4153 CA GLU B 245 28.086 8.297 1.485 1.00 27.88 C ATOM 4154 C GLU B 245 27.861 9.300 2.585 1.00 27.10 C ATOM 4155 O GLU B 245 28.787 10.025 2.964 1.00 27.60 O ATOM 4156 CB GLU B 245 28.423 8.995 0.164 1.00 28.88 C ATOM 4157 CG GLU B 245 27.315 8.979 -0.880 1.00 34.26 C ATOM 4158 CD GLU B 245 27.103 7.597 -1.539 1.00 38.16 C ATOM 4159 OE1 GLU B 245 28.044 7.003 -2.128 1.00 41.44 O ATOM 4160 OE2 GLU B 245 25.971 7.106 -1.471 1.00 38.17 O ATOM 0 H GLU B 245 26.438 7.540 0.699 1.00 26.09 H new ATOM 0 HA GLU B 245 28.855 7.760 1.733 1.00 27.88 H new ATOM 0 HB2 GLU B 245 28.656 9.917 0.353 1.00 28.88 H new ATOM 0 HB3 GLU B 245 29.211 8.575 -0.215 1.00 28.88 H new ATOM 0 HG2 GLU B 245 26.485 9.261 -0.464 1.00 34.26 H new ATOM 0 HG3 GLU B 245 27.522 9.629 -1.570 1.00 34.26 H new ATOM 4161 N ASP B 246 26.654 9.312 3.147 1.00 25.51 N ATOM 4162 CA ASP B 246 26.377 10.219 4.265 1.00 25.37 C ATOM 4163 C ASP B 246 27.114 9.875 5.555 1.00 24.96 C ATOM 4164 O ASP B 246 27.151 10.709 6.450 1.00 25.36 O ATOM 4165 CB ASP B 246 24.886 10.263 4.585 1.00 25.26 C ATOM 4166 CG ASP B 246 24.054 10.914 3.474 1.00 26.85 C ATOM 4167 OD1 ASP B 246 24.593 11.740 2.706 1.00 26.79 O ATOM 4168 OD2 ASP B 246 22.852 10.612 3.401 1.00 26.22 O ATOM 0 H ASP B 246 25.994 8.816 2.905 1.00 25.51 H new ATOM 0 HA ASP B 246 26.699 11.080 3.956 1.00 25.37 H new ATOM 0 HB2 ASP B 246 24.566 9.360 4.735 1.00 25.26 H new ATOM 0 HB3 ASP B 246 24.752 10.752 5.412 1.00 25.26 H new ATOM 4169 N PHE B 247 27.706 8.682 5.644 1.00 24.79 N ATOM 4170 CA PHE B 247 28.300 8.207 6.899 1.00 24.87 C ATOM 4171 C PHE B 247 29.813 8.082 6.819 1.00 26.50 C ATOM 4172 O PHE B 247 30.363 7.556 5.847 1.00 27.16 O ATOM 4173 CB PHE B 247 27.720 6.859 7.290 1.00 24.18 C ATOM 4174 CG PHE B 247 26.221 6.824 7.299 1.00 23.55 C ATOM 4175 CD1 PHE B 247 25.513 7.242 8.422 1.00 24.77 C ATOM 4176 CD2 PHE B 247 25.504 6.373 6.171 1.00 24.99 C ATOM 4177 CE1 PHE B 247 24.107 7.219 8.450 1.00 24.41 C ATOM 4178 CE2 PHE B 247 24.094 6.335 6.199 1.00 20.64 C ATOM 4179 CZ PHE B 247 23.402 6.766 7.337 1.00 23.43 C ATOM 0 H PHE B 247 27.775 8.130 4.988 1.00 24.79 H new ATOM 0 HA PHE B 247 28.085 8.874 7.570 1.00 24.87 H new ATOM 0 HB2 PHE B 247 28.047 6.185 6.674 1.00 24.18 H new ATOM 0 HB3 PHE B 247 28.046 6.620 8.172 1.00 24.18 H new ATOM 0 HD1 PHE B 247 25.979 7.542 9.169 1.00 24.77 H new ATOM 0 HD2 PHE B 247 25.961 6.101 5.408 1.00 24.99 H new ATOM 0 HE1 PHE B 247 23.650 7.505 9.208 1.00 24.41 H new ATOM 0 HE2 PHE B 247 23.623 6.023 5.460 1.00 20.64 H new ATOM 0 HZ PHE B 247 22.472 6.750 7.350 1.00 23.43 H new ATOM 4180 N GLU B 248 30.477 8.549 7.867 1.00 27.15 N ATOM 4181 CA GLU B 248 31.902 8.339 8.027 1.00 29.20 C ATOM 4182 C GLU B 248 32.170 7.967 9.463 1.00 27.14 C ATOM 4183 O GLU B 248 31.464 8.406 10.378 1.00 27.04 O ATOM 4184 CB GLU B 248 32.690 9.595 7.639 1.00 29.27 C ATOM 4185 CG GLU B 248 32.924 9.699 6.112 1.00 34.81 C ATOM 4186 CD GLU B 248 33.712 10.951 5.693 1.00 36.45 C ATOM 4187 OE1 GLU B 248 33.879 11.881 6.533 1.00 43.15 O ATOM 4188 OE2 GLU B 248 34.149 11.007 4.509 1.00 45.71 O ATOM 0 H GLU B 248 30.112 8.996 8.504 1.00 27.15 H new ATOM 0 HA GLU B 248 32.192 7.624 7.440 1.00 29.20 H new ATOM 0 HB2 GLU B 248 32.211 10.381 7.944 1.00 29.27 H new ATOM 0 HB3 GLU B 248 33.546 9.590 8.095 1.00 29.27 H new ATOM 0 HG2 GLU B 248 33.402 8.910 5.811 1.00 34.81 H new ATOM 0 HG3 GLU B 248 32.066 9.700 5.660 1.00 34.81 H new ATOM 4189 N ILE B 249 33.194 7.145 9.652 1.00 27.05 N ATOM 4190 CA ILE B 249 33.628 6.734 10.978 1.00 26.91 C ATOM 4191 C ILE B 249 35.061 7.223 11.099 1.00 26.36 C ATOM 4192 O ILE B 249 35.860 7.066 10.172 1.00 25.86 O ATOM 4193 CB ILE B 249 33.533 5.207 11.133 1.00 28.06 C ATOM 4194 CG1 ILE B 249 32.097 4.806 11.467 1.00 29.44 C ATOM 4195 CG2 ILE B 249 34.410 4.693 12.259 1.00 27.85 C ATOM 4196 CD1 ILE B 249 31.668 5.149 12.899 1.00 30.86 C ATOM 0 H ILE B 249 33.658 6.809 9.011 1.00 27.05 H new ATOM 0 HA ILE B 249 33.069 7.106 11.678 1.00 26.91 H new ATOM 0 HB ILE B 249 33.826 4.824 10.292 1.00 28.06 H new ATOM 0 HG12 ILE B 249 31.496 5.246 10.846 1.00 29.44 H new ATOM 0 HG13 ILE B 249 31.998 3.851 11.330 1.00 29.44 H new ATOM 0 HG21 ILE B 249 34.322 3.729 12.324 1.00 27.85 H new ATOM 0 HG22 ILE B 249 35.335 4.921 12.079 1.00 27.85 H new ATOM 0 HG23 ILE B 249 34.134 5.099 13.096 1.00 27.85 H new ATOM 0 HD11 ILE B 249 30.750 4.867 13.038 1.00 30.86 H new ATOM 0 HD12 ILE B 249 32.246 4.690 13.529 1.00 30.86 H new ATOM 0 HD13 ILE B 249 31.736 6.107 13.037 1.00 30.86 H new ATOM 4197 N GLU B 250 35.400 7.783 12.246 1.00 25.32 N ATOM 4198 CA GLU B 250 36.686 8.393 12.412 1.00 26.39 C ATOM 4199 C GLU B 250 37.280 7.875 13.704 1.00 24.45 C ATOM 4200 O GLU B 250 36.598 7.800 14.719 1.00 23.31 O ATOM 4201 CB GLU B 250 36.491 9.903 12.379 1.00 27.04 C ATOM 4202 CG GLU B 250 37.376 10.771 13.180 1.00 30.75 C ATOM 4203 CD GLU B 250 36.838 12.235 13.165 1.00 31.81 C ATOM 4204 OE1 GLU B 250 36.780 12.825 12.060 1.00 35.21 O ATOM 4205 OE2 GLU B 250 36.457 12.767 14.251 1.00 40.28 O ATOM 0 H GLU B 250 34.892 7.817 12.939 1.00 25.32 H new ATOM 0 HA GLU B 250 37.311 8.172 11.704 1.00 26.39 H new ATOM 0 HB2 GLU B 250 36.568 10.185 11.454 1.00 27.04 H new ATOM 0 HB3 GLU B 250 35.579 10.084 12.656 1.00 27.04 H new ATOM 0 HG2 GLU B 250 37.423 10.445 14.092 1.00 30.75 H new ATOM 0 HG3 GLU B 250 38.277 10.745 12.823 1.00 30.75 H new ATOM 4206 N GLY B 251 38.534 7.479 13.629 1.00 22.60 N ATOM 4207 CA GLY B 251 39.271 7.030 14.814 1.00 23.48 C ATOM 4208 C GLY B 251 39.135 5.543 15.080 1.00 22.65 C ATOM 4209 O GLY B 251 39.553 5.054 16.124 1.00 23.84 O ATOM 0 H GLY B 251 38.988 7.459 12.899 1.00 22.60 H new ATOM 0 HA2 GLY B 251 40.210 7.248 14.704 1.00 23.48 H new ATOM 0 HA3 GLY B 251 38.955 7.521 15.589 1.00 23.48 H new ATOM 4210 N TYR B 252 38.567 4.805 14.136 1.00 22.31 N ATOM 4211 CA TYR B 252 38.462 3.345 14.275 1.00 22.34 C ATOM 4212 C TYR B 252 39.816 2.682 14.174 1.00 22.97 C ATOM 4213 O TYR B 252 40.488 2.743 13.135 1.00 21.89 O ATOM 4214 CB TYR B 252 37.499 2.755 13.247 1.00 21.23 C ATOM 4215 CG TYR B 252 37.165 1.272 13.462 1.00 21.49 C ATOM 4216 CD1 TYR B 252 36.732 0.789 14.715 1.00 21.84 C ATOM 4217 CD2 TYR B 252 37.253 0.377 12.403 1.00 21.73 C ATOM 4218 CE1 TYR B 252 36.420 -0.569 14.899 1.00 20.46 C ATOM 4219 CE2 TYR B 252 36.931 -0.953 12.552 1.00 21.84 C ATOM 4220 CZ TYR B 252 36.522 -1.433 13.785 1.00 20.49 C ATOM 4221 OH TYR B 252 36.240 -2.774 13.886 1.00 20.51 O ATOM 0 H TYR B 252 38.236 5.121 13.408 1.00 22.31 H new ATOM 0 HA TYR B 252 38.105 3.167 15.159 1.00 22.34 H new ATOM 0 HB2 TYR B 252 36.675 3.266 13.263 1.00 21.23 H new ATOM 0 HB3 TYR B 252 37.882 2.863 12.363 1.00 21.23 H new ATOM 0 HD1 TYR B 252 36.652 1.378 15.430 1.00 21.84 H new ATOM 0 HD2 TYR B 252 37.537 0.684 11.572 1.00 21.73 H new ATOM 0 HE1 TYR B 252 36.154 -0.890 15.730 1.00 20.46 H new ATOM 0 HE2 TYR B 252 36.988 -1.529 11.824 1.00 21.84 H new ATOM 0 HH TYR B 252 35.870 -2.928 14.624 1.00 20.51 H new ATOM 4222 N ASP B 253 40.210 2.038 15.273 1.00 23.79 N ATOM 4223 CA ASP B 253 41.572 1.535 15.446 1.00 24.20 C ATOM 4224 C ASP B 253 41.522 0.093 15.996 1.00 23.38 C ATOM 4225 O ASP B 253 41.980 -0.159 17.120 1.00 23.98 O ATOM 4226 CB ASP B 253 42.279 2.457 16.445 1.00 24.91 C ATOM 4227 CG ASP B 253 43.755 2.083 16.676 1.00 29.93 C ATOM 4228 OD1 ASP B 253 44.406 1.544 15.743 1.00 32.35 O ATOM 4229 OD2 ASP B 253 44.256 2.352 17.811 1.00 33.05 O ATOM 0 H ASP B 253 39.692 1.880 15.941 1.00 23.79 H new ATOM 0 HA ASP B 253 42.049 1.524 14.601 1.00 24.20 H new ATOM 0 HB2 ASP B 253 42.229 3.371 16.124 1.00 24.91 H new ATOM 0 HB3 ASP B 253 41.808 2.428 17.292 1.00 24.91 H new ATOM 4230 N PRO B 254 40.952 -0.861 15.223 1.00 21.41 N ATOM 4231 CA PRO B 254 40.742 -2.215 15.800 1.00 20.94 C ATOM 4232 C PRO B 254 41.983 -3.144 15.810 1.00 21.26 C ATOM 4233 O PRO B 254 42.963 -2.903 15.102 1.00 21.07 O ATOM 4234 CB PRO B 254 39.673 -2.808 14.882 1.00 20.33 C ATOM 4235 CG PRO B 254 39.975 -2.178 13.524 1.00 20.03 C ATOM 4236 CD PRO B 254 40.477 -0.774 13.824 1.00 21.30 C ATOM 0 HA PRO B 254 40.510 -2.142 16.739 1.00 20.94 H new ATOM 0 HB2 PRO B 254 39.730 -3.776 14.847 1.00 20.33 H new ATOM 0 HB3 PRO B 254 38.779 -2.587 15.187 1.00 20.33 H new ATOM 0 HG2 PRO B 254 40.643 -2.691 13.043 1.00 20.03 H new ATOM 0 HG3 PRO B 254 39.181 -2.153 12.967 1.00 20.03 H new ATOM 0 HD2 PRO B 254 41.191 -0.515 13.221 1.00 21.30 H new ATOM 0 HD3 PRO B 254 39.771 -0.115 13.728 1.00 21.30 H new ATOM 4237 N HIS B 255 41.937 -4.185 16.639 1.00 21.60 N ATOM 4238 CA HIS B 255 42.839 -5.333 16.485 1.00 22.38 C ATOM 4239 C HIS B 255 42.570 -5.974 15.111 1.00 23.12 C ATOM 4240 O HIS B 255 41.525 -5.713 14.504 1.00 23.44 O ATOM 4241 CB HIS B 255 42.579 -6.357 17.565 1.00 21.19 C ATOM 4242 CG HIS B 255 42.916 -5.896 18.940 1.00 22.85 C ATOM 4243 ND1 HIS B 255 44.097 -6.245 19.564 1.00 22.34 N ATOM 4244 CD2 HIS B 255 42.206 -5.171 19.837 1.00 21.78 C ATOM 4245 CE1 HIS B 255 44.107 -5.734 20.784 1.00 23.53 C ATOM 4246 NE2 HIS B 255 42.970 -5.087 20.983 1.00 21.89 N ATOM 0 H HIS B 255 41.390 -4.249 17.300 1.00 21.60 H new ATOM 0 HA HIS B 255 43.759 -5.034 16.554 1.00 22.38 H new ATOM 0 HB2 HIS B 255 41.642 -6.608 17.540 1.00 21.19 H new ATOM 0 HB3 HIS B 255 43.092 -7.156 17.368 1.00 21.19 H new ATOM 0 HD2 HIS B 255 41.363 -4.800 19.706 1.00 21.78 H new ATOM 0 HE1 HIS B 255 44.799 -5.816 21.400 1.00 23.53 H new ATOM 0 HE2 HIS B 255 42.744 -4.681 21.707 1.00 21.89 H new ATOM 4247 N PRO B 256 43.537 -6.746 14.576 1.00 23.91 N ATOM 4248 CA PRO B 256 43.287 -7.381 13.269 1.00 24.02 C ATOM 4249 C PRO B 256 41.978 -8.155 13.183 1.00 23.99 C ATOM 4250 O PRO B 256 41.483 -8.679 14.181 1.00 23.72 O ATOM 4251 CB PRO B 256 44.466 -8.347 13.104 1.00 24.80 C ATOM 4252 CG PRO B 256 45.526 -7.873 14.042 1.00 24.25 C ATOM 4253 CD PRO B 256 44.885 -7.019 15.101 1.00 24.96 C ATOM 0 HA PRO B 256 43.211 -6.704 12.578 1.00 24.02 H new ATOM 0 HB2 PRO B 256 44.201 -9.256 13.312 1.00 24.80 H new ATOM 0 HB3 PRO B 256 44.788 -8.348 12.189 1.00 24.80 H new ATOM 0 HG2 PRO B 256 45.979 -8.629 14.448 1.00 24.25 H new ATOM 0 HG3 PRO B 256 46.198 -7.365 13.561 1.00 24.25 H new ATOM 0 HD2 PRO B 256 44.847 -7.480 15.953 1.00 24.96 H new ATOM 0 HD3 PRO B 256 45.383 -6.199 15.244 1.00 24.96 H new ATOM 4254 N GLY B 257 41.421 -8.239 11.975 1.00 25.25 N ATOM 4255 CA GLY B 257 40.273 -9.096 11.737 1.00 26.62 C ATOM 4256 C GLY B 257 40.546 -10.561 12.051 1.00 28.39 C ATOM 4257 O GLY B 257 41.715 -11.012 12.074 1.00 26.86 O ATOM 0 H GLY B 257 41.696 -7.807 11.284 1.00 25.25 H new ATOM 0 HA2 GLY B 257 39.529 -8.788 12.278 1.00 26.62 H new ATOM 0 HA3 GLY B 257 40.002 -9.015 10.809 1.00 26.62 H new ATOM 4258 N ILE B 258 39.462 -11.281 12.338 1.00 29.72 N ATOM 4259 CA ILE B 258 39.504 -12.707 12.651 1.00 31.69 C ATOM 4260 C ILE B 258 38.494 -13.388 11.741 1.00 34.09 C ATOM 4261 O ILE B 258 37.277 -13.223 11.899 1.00 33.86 O ATOM 4262 CB ILE B 258 39.162 -13.031 14.149 1.00 31.16 C ATOM 4263 CG1 ILE B 258 40.076 -12.277 15.127 1.00 30.86 C ATOM 4264 CG2 ILE B 258 39.236 -14.533 14.394 1.00 29.83 C ATOM 4265 CD1 ILE B 258 39.647 -12.388 16.585 1.00 30.54 C ATOM 0 H ILE B 258 38.669 -10.948 12.356 1.00 29.72 H new ATOM 0 HA ILE B 258 40.409 -13.027 12.511 1.00 31.69 H new ATOM 0 HB ILE B 258 38.256 -12.727 14.314 1.00 31.16 H new ATOM 0 HG12 ILE B 258 40.980 -12.617 15.038 1.00 30.86 H new ATOM 0 HG13 ILE B 258 40.100 -11.340 14.877 1.00 30.86 H new ATOM 0 HG21 ILE B 258 39.023 -14.721 15.322 1.00 29.83 H new ATOM 0 HG22 ILE B 258 38.600 -14.987 13.819 1.00 29.83 H new ATOM 0 HG23 ILE B 258 40.132 -14.849 14.198 1.00 29.83 H new ATOM 0 HD11 ILE B 258 40.265 -11.891 17.143 1.00 30.54 H new ATOM 0 HD12 ILE B 258 38.754 -12.023 16.688 1.00 30.54 H new ATOM 0 HD13 ILE B 258 39.648 -13.320 16.853 1.00 30.54 H new ATOM 4266 N LYS B 259 39.011 -14.141 10.777 1.00 37.24 N ATOM 4267 CA LYS B 259 38.177 -14.882 9.833 1.00 41.07 C ATOM 4268 C LYS B 259 37.578 -16.146 10.424 1.00 42.65 C ATOM 4269 O LYS B 259 38.268 -16.930 11.079 1.00 43.37 O ATOM 4270 CB LYS B 259 38.976 -15.228 8.570 1.00 41.57 C ATOM 4271 CG LYS B 259 38.521 -14.474 7.313 1.00 45.43 C ATOM 4272 CD LYS B 259 38.436 -12.942 7.529 1.00 50.52 C ATOM 4273 CE LYS B 259 37.121 -12.483 8.184 1.00 52.20 C ATOM 4274 NZ LYS B 259 37.282 -11.098 8.760 1.00 54.28 N ATOM 0 H LYS B 259 39.856 -14.238 10.650 1.00 37.24 H new ATOM 0 HA LYS B 259 37.437 -14.297 9.608 1.00 41.07 H new ATOM 0 HB2 LYS B 259 39.913 -15.035 8.729 1.00 41.57 H new ATOM 0 HB3 LYS B 259 38.906 -16.182 8.406 1.00 41.57 H new ATOM 0 HG2 LYS B 259 39.138 -14.660 6.588 1.00 45.43 H new ATOM 0 HG3 LYS B 259 37.652 -14.806 7.038 1.00 45.43 H new ATOM 0 HD2 LYS B 259 39.180 -12.660 8.083 1.00 50.52 H new ATOM 0 HD3 LYS B 259 38.535 -12.496 6.673 1.00 50.52 H new ATOM 0 HE2 LYS B 259 36.407 -12.487 7.528 1.00 52.20 H new ATOM 0 HE3 LYS B 259 36.866 -13.104 8.884 1.00 52.20 H new ATOM 0 HZ1 LYS B 259 37.101 -11.116 9.631 1.00 54.28 H new ATOM 0 HZ2 LYS B 259 38.118 -10.820 8.636 1.00 54.28 H new ATOM 0 HZ3 LYS B 259 36.721 -10.540 8.353 1.00 54.28 H new ATOM 4275 N ALA B 260 36.289 -16.339 10.191 1.00 45.06 N ATOM 4276 CA ALA B 260 35.634 -17.563 10.608 1.00 48.05 C ATOM 4277 C ALA B 260 35.586 -18.530 9.428 1.00 50.06 C ATOM 4278 O ALA B 260 35.883 -18.137 8.299 1.00 49.85 O ATOM 4279 CB ALA B 260 34.243 -17.267 11.115 1.00 48.12 C ATOM 0 H ALA B 260 35.777 -15.774 9.793 1.00 45.06 H new ATOM 0 HA ALA B 260 36.135 -17.970 11.333 1.00 48.05 H new ATOM 0 HB1 ALA B 260 33.816 -18.093 11.390 1.00 48.12 H new ATOM 0 HB2 ALA B 260 34.296 -16.663 11.872 1.00 48.12 H new ATOM 0 HB3 ALA B 260 33.722 -16.854 10.409 1.00 48.12 H new ATOM 4280 N PRO B 261 35.293 -19.814 9.694 1.00 52.35 N ATOM 4281 CA PRO B 261 34.791 -20.644 8.603 1.00 54.21 C ATOM 4282 C PRO B 261 33.251 -20.600 8.508 1.00 56.23 C ATOM 4283 O PRO B 261 32.571 -19.891 9.285 1.00 56.54 O ATOM 4284 CB PRO B 261 35.281 -22.042 8.982 1.00 54.14 C ATOM 4285 CG PRO B 261 35.386 -22.017 10.493 1.00 53.75 C ATOM 4286 CD PRO B 261 35.465 -20.579 10.944 1.00 52.32 C ATOM 0 HA PRO B 261 35.102 -20.348 7.733 1.00 54.21 H new ATOM 0 HB2 PRO B 261 34.661 -22.726 8.683 1.00 54.14 H new ATOM 0 HB3 PRO B 261 36.138 -22.238 8.572 1.00 54.14 H new ATOM 0 HG2 PRO B 261 34.617 -22.453 10.892 1.00 53.75 H new ATOM 0 HG3 PRO B 261 36.172 -22.505 10.784 1.00 53.75 H new ATOM 0 HD2 PRO B 261 34.772 -20.369 11.589 1.00 52.32 H new ATOM 0 HD3 PRO B 261 36.316 -20.384 11.368 1.00 52.32 H new ATOM 4287 N VAL B 262 32.713 -21.342 7.542 1.00 58.06 N ATOM 4288 CA VAL B 262 31.264 -21.463 7.366 1.00 59.54 C ATOM 4289 C VAL B 262 30.845 -22.943 7.259 1.00 59.95 C ATOM 4290 O VAL B 262 31.675 -23.834 7.033 1.00 60.09 O ATOM 4291 CB VAL B 262 30.739 -20.614 6.158 1.00 59.77 C ATOM 4292 CG1 VAL B 262 30.626 -19.122 6.542 1.00 60.35 C ATOM 4293 CG2 VAL B 262 31.619 -20.812 4.896 1.00 60.34 C ATOM 0 H VAL B 262 33.175 -21.789 6.971 1.00 58.06 H new ATOM 0 HA VAL B 262 30.843 -21.094 8.158 1.00 59.54 H new ATOM 0 HB VAL B 262 29.850 -20.932 5.937 1.00 59.77 H new ATOM 0 HG11 VAL B 262 30.300 -18.616 5.782 1.00 60.35 H new ATOM 0 HG12 VAL B 262 30.008 -19.024 7.284 1.00 60.35 H new ATOM 0 HG13 VAL B 262 31.499 -18.788 6.802 1.00 60.35 H new ATOM 0 HG21 VAL B 262 31.268 -20.274 4.169 1.00 60.34 H new ATOM 0 HG22 VAL B 262 32.529 -20.538 5.090 1.00 60.34 H new ATOM 0 HG23 VAL B 262 31.611 -21.747 4.639 1.00 60.34 H new TER 4294 VAL B 262 HETATM 4295 C CO3 A 803 -0.441 -8.537 43.715 1.00 37.58 C HETATM 4296 O1 CO3 A 803 -1.370 -9.200 44.353 1.00 37.02 O HETATM 4297 O2 CO3 A 803 -0.356 -7.255 43.864 1.00 37.06 O HETATM 4298 O3 CO3 A 803 0.410 -9.148 42.935 1.00 39.01 O HETATM 4299 P PO4 A 565 1.239 2.578 28.016 1.00 89.90 P HETATM 4300 O1 PO4 A 565 1.240 2.631 26.501 1.00 89.53 O HETATM 4301 O2 PO4 A 565 2.367 1.732 28.547 1.00 90.27 O HETATM 4302 O3 PO4 A 565 1.412 3.973 28.564 1.00 91.31 O HETATM 4303 O4 PO4 A 565 -0.067 2.001 28.511 1.00 90.73 O HETATM 4304 S1 DTT A 800 -4.518 -3.938 32.899 1.00 49.81 S HETATM 4305 C1 DTT A 800 -4.614 -5.614 33.552 1.00 49.18 C HETATM 4306 C2 DTT A 800 -3.408 -5.944 34.399 1.00 50.61 C HETATM 4307 O2 DTT A 800 -3.372 -7.330 34.568 1.00 53.21 O HETATM 4308 C3 DTT A 800 -3.478 -5.297 35.768 1.00 52.18 C HETATM 4309 O3 DTT A 800 -3.405 -3.865 35.647 1.00 50.08 O HETATM 4310 C4 DTT A 800 -2.361 -5.885 36.619 1.00 52.28 C HETATM 4311 S4 DTT A 800 -2.076 -4.928 38.120 1.00 58.86 S HETATM 0 HS2 DTT A 800 -1.191 -5.432 38.754 1.00 58.86 H new HETATM 0 HS1 DTT A 800 -3.446 -3.466 33.162 1.00 49.81 H new HETATM 0 HO3 DTT A 800 -3.597 -3.640 34.861 1.00 50.08 H new HETATM 0 HO2 DTT A 800 -3.774 -7.701 33.930 1.00 53.21 H new HETATM 0 H42 DTT A 800 -2.584 -6.799 36.857 1.00 52.28 H new HETATM 0 H41 DTT A 800 -1.543 -5.919 36.098 1.00 52.28 H new HETATM 0 H3 DTT A 800 -4.324 -5.483 36.204 1.00 52.18 H new HETATM 0 H2 DTT A 800 -2.616 -5.608 33.951 1.00 50.61 H new HETATM 0 H12 DTT A 800 -5.420 -5.711 34.082 1.00 49.18 H new HETATM 0 H11 DTT A 800 -4.679 -6.246 32.819 1.00 49.18 H new HETATM 4312 C CO3 B 804 31.819 -7.402 10.600 1.00 38.84 C HETATM 4313 O1 CO3 B 804 32.510 -6.745 9.724 1.00 37.46 O HETATM 4314 O2 CO3 B 804 32.122 -8.639 10.872 1.00 38.60 O HETATM 4315 O3 CO3 B 804 30.830 -6.825 11.219 1.00 40.61 O HETATM 4316 C CO3 B 805 -0.659 -10.619 9.521 1.00 30.65 C HETATM 4317 O1 CO3 B 805 -1.881 -10.157 9.713 1.00 30.71 O HETATM 4318 O2 CO3 B 805 0.147 -9.873 8.795 1.00 32.96 O HETATM 4319 O3 CO3 B 805 -0.218 -11.770 10.010 1.00 25.59 O HETATM 4320 P PO4 B 567 16.561 -20.093 13.296 1.00 78.20 P HETATM 4321 O1 PO4 B 567 15.607 -20.418 14.415 1.00 77.27 O HETATM 4322 O2 PO4 B 567 15.836 -19.314 12.215 1.00 77.70 O HETATM 4323 O3 PO4 B 567 17.065 -21.387 12.700 1.00 79.11 O HETATM 4324 O4 PO4 B 567 17.754 -19.319 13.829 1.00 77.97 O HETATM 4325 S1 DTT B 801 21.552 -13.406 7.162 1.00 59.24 S HETATM 4326 C1 DTT B 801 22.056 -11.721 6.767 1.00 57.50 C HETATM 4327 C2 DTT B 801 22.747 -11.081 7.941 1.00 58.10 C HETATM 4328 O2 DTT B 801 22.752 -9.698 7.752 1.00 60.68 O HETATM 4329 C3 DTT B 801 24.192 -11.507 7.986 1.00 58.76 C HETATM 4330 O3 DTT B 801 24.312 -12.844 8.482 1.00 59.43 O HETATM 4331 C4 DTT B 801 24.981 -10.525 8.825 1.00 57.97 C HETATM 4332 S4 DTT B 801 26.614 -11.230 9.079 1.00 61.73 S HETATM 0 HS2 DTT B 801 26.548 -12.427 9.018 1.00 61.73 H new HETATM 0 HS1 DTT B 801 21.003 -13.893 6.213 1.00 59.24 H new HETATM 0 HO3 DTT B 801 23.635 -13.288 8.258 1.00 59.43 H new HETATM 0 HO2 DTT B 801 22.011 -9.455 7.441 1.00 60.68 H new HETATM 0 H42 DTT B 801 25.045 -9.667 8.377 1.00 57.97 H new HETATM 0 H41 DTT B 801 24.540 -10.369 9.675 1.00 57.97 H new HETATM 0 H3 DTT B 801 24.557 -11.504 7.087 1.00 58.76 H new HETATM 0 H2 DTT B 801 22.285 -11.341 8.754 1.00 58.10 H new HETATM 0 H12 DTT B 801 22.651 -11.728 6.001 1.00 57.50 H new HETATM 0 H11 DTT B 801 21.279 -11.196 6.518 1.00 57.50 H new HETATM 4333 O HOH A 270 5.429 -4.259 45.147 1.00 18.42 O HETATM 4334 O HOH A 271 -5.586 -23.960 31.352 1.00 21.49 O HETATM 4335 O HOH A 272 -11.733 -7.382 34.724 1.00 18.48 O HETATM 4336 O HOH A 274 6.051 -11.399 42.110 1.00 18.74 O HETATM 4337 O HOH A 277 4.976 -9.257 16.572 1.00 22.14 O HETATM 4338 O HOH A 278 13.226 -20.360 21.197 1.00 19.53 O HETATM 4339 O HOH A 279 14.053 4.537 50.682 1.00 22.52 O HETATM 4340 O HOH A 281 9.115 -21.797 41.054 1.00 18.29 O HETATM 4341 O HOH A 282 -5.550 -33.739 42.028 1.00 22.31 O HETATM 4342 O HOH A 283 -7.122 -11.677 26.588 1.00 20.65 O HETATM 4343 O HOH A 284 6.590 -20.546 17.903 1.00 18.16 O HETATM 4344 O HOH A 286 15.733 -24.343 23.078 1.00 19.81 O HETATM 4345 O HOH A 288 12.855 -17.870 41.388 1.00 21.23 O HETATM 4346 O HOH A 289 1.813 -11.861 25.710 1.00 20.89 O HETATM 4347 O HOH A 291 -1.789 -8.041 11.227 1.00 20.39 O HETATM 4348 O HOH A 293 17.112 -6.133 39.332 1.00 19.68 O HETATM 4349 O HOH A 297 -2.095 -8.286 31.884 1.00 23.54 O HETATM 4350 O HOH A 298 -7.731 -29.417 41.405 1.00 24.65 O HETATM 4351 O HOH A 299 -2.063 -23.160 14.387 1.00 21.18 O HETATM 4352 O HOH A 300 4.954 2.203 40.091 1.00 25.21 O HETATM 4353 O HOH A 301 12.261 -13.161 48.328 1.00 22.68 O HETATM 4354 O HOH A 302 -1.965 -13.468 34.532 1.00 19.41 O HETATM 4355 O HOH A 304 -11.023 -22.579 37.065 1.00 30.11 O HETATM 4356 O HOH A 305 8.266 -23.470 43.114 1.00 19.62 O HETATM 4357 O HOH A 308 16.240 3.891 49.368 1.00 22.09 O HETATM 4358 O HOH A 309 5.827 -27.211 36.890 1.00 23.24 O HETATM 4359 O HOH A 312 -6.040 -10.996 43.154 1.00 27.26 O HETATM 4360 O HOH A 313 -1.969 -16.600 46.620 1.00 29.24 O HETATM 4361 O HOH A 317 1.581 -5.793 42.716 1.00 23.12 O HETATM 4362 O HOH A 319 -0.088 -5.683 48.520 1.00 21.62 O HETATM 4363 O HOH A 321 -13.368 -13.292 23.615 1.00 32.62 O HETATM 4364 O HOH A 322 16.355 -23.719 30.182 1.00 23.13 O HETATM 4365 O HOH A 323 1.874 -2.665 54.755 1.00 23.60 O HETATM 4366 O HOH A 328 -1.489 -29.326 25.993 1.00 23.52 O HETATM 4367 O HOH A 331 18.081 -20.035 31.066 1.00 21.63 O HETATM 4368 O HOH A 332 6.933 4.942 53.358 1.00 29.52 O HETATM 4369 O HOH A 333 -11.786 -16.962 43.434 1.00 37.14 O HETATM 4370 O HOH A 337 -2.519 -36.156 34.505 1.00 27.28 O HETATM 4371 O HOH A 339 -3.523 -1.436 13.719 1.00 37.74 O HETATM 4372 O HOH A 341 11.233 -31.737 25.135 1.00 33.68 O HETATM 4373 O HOH A 343 13.119 2.603 52.544 1.00 20.71 O HETATM 4374 O HOH A 344 5.036 -16.767 17.217 1.00 19.39 O HETATM 4375 O HOH A 345 -1.907 -4.345 55.000 1.00 33.63 O HETATM 4376 O HOH A 346 9.353 -20.892 51.545 1.00 32.64 O HETATM 4377 O HOH A 348 7.179 6.486 31.886 1.00 26.70 O HETATM 4378 O HOH A 349 21.534 -22.736 28.562 1.00 31.55 O HETATM 4379 O HOH A 352 1.834 -20.341 51.838 1.00 28.02 O HETATM 4380 O HOH A 354 -1.444 -13.913 49.802 1.00 29.53 O HETATM 4381 O HOH A 356 19.761 -1.237 42.673 1.00 26.57 O HETATM 4382 O HOH A 357 -5.731 -21.411 43.598 1.00 27.27 O HETATM 4383 O HOH A 358 -9.212 -1.875 35.098 1.00 30.08 O HETATM 4384 O HOH A 360 0.110 -3.299 46.007 1.00 23.43 O HETATM 4385 O HOH A 361 -9.346 -8.614 40.556 1.00 24.74 O HETATM 4386 O HOH A 362 7.021 -6.022 58.151 1.00 41.51 O HETATM 4387 O HOH A 364 4.239 -28.400 41.842 1.00 29.23 O HETATM 4388 O HOH A 365 3.452 -27.215 52.888 1.00 31.37 O HETATM 4389 O HOH A 366 -0.361 -33.726 30.636 1.00 35.36 O HETATM 4390 O HOH A 372 12.085 -6.730 57.477 1.00 21.36 O HETATM 4391 O HOH A 373 7.085 -2.410 57.389 1.00 27.62 O HETATM 4392 O HOH A 375 21.203 4.051 46.382 1.00 29.50 O HETATM 4393 O HOH A 378 17.584 0.338 48.799 1.00 30.28 O HETATM 4394 O HOH A 379 10.081 -25.793 15.391 1.00 30.87 O HETATM 4395 O HOH A 380 14.983 -12.599 47.335 1.00 28.07 O HETATM 4396 O HOH A 382 -1.685 -8.306 54.116 1.00 37.83 O HETATM 4397 O HOH A 383 15.030 -29.866 18.628 1.00 28.17 O HETATM 4398 O HOH A 384 13.507 -32.908 32.557 1.00 31.83 O HETATM 4399 O HOH A 389 24.554 5.529 36.383 1.00 38.01 O HETATM 4400 O HOH A 392 -7.606 -32.523 32.417 1.00 26.63 O HETATM 4401 O HOH A 393 9.590 -35.958 19.635 1.00 36.02 O HETATM 4402 O HOH A 395 16.682 -0.827 50.975 1.00 37.60 O HETATM 4403 O HOH A 396 15.301 -4.321 52.033 1.00 48.75 O HETATM 4404 O HOH A 398 16.882 -16.943 41.205 1.00 29.75 O HETATM 4405 O HOH A 400 -9.748 -12.824 13.309 1.00 44.09 O HETATM 4406 O HOH A 401 -6.021 -25.001 18.418 1.00 32.02 O HETATM 4407 O HOH A 402 12.731 -20.564 48.919 1.00 42.43 O HETATM 4408 O HOH A 403 17.306 4.587 30.998 1.00 25.45 O HETATM 4409 O HOH A 405 20.635 -20.103 34.154 1.00 37.10 O HETATM 4410 O HOH A 407 19.636 -19.371 36.746 1.00 32.53 O HETATM 4411 O HOH A 409 -12.626 -8.454 42.964 1.00 36.65 O HETATM 4412 O HOH A 410 16.292 9.565 40.006 1.00 33.31 O HETATM 4413 O HOH A 412 -10.224 -32.179 30.248 1.00 37.47 O HETATM 4414 O HOH A 413 14.672 -17.820 48.598 1.00 37.30 O HETATM 4415 O HOH A 415 4.091 -19.815 18.537 1.00 32.25 O HETATM 4416 O HOH A 416 -2.223 1.387 24.210 1.00 30.90 O HETATM 4417 O HOH A 420 -8.958 -23.406 32.000 1.00 32.59 O HETATM 4418 O HOH A 421 19.836 -9.259 42.140 1.00 41.40 O HETATM 4419 O HOH A 422 -17.557 -3.472 30.448 1.00 42.78 O HETATM 4420 O HOH A 423 3.601 8.038 47.661 1.00 35.76 O HETATM 4421 O HOH A 424 0.573 -16.578 53.459 1.00 41.78 O HETATM 4422 O HOH A 425 14.380 13.883 35.995 1.00 38.05 O HETATM 4423 O HOH A 429 8.009 16.637 35.716 1.00 36.83 O HETATM 4424 O HOH A 431 16.489 -11.663 52.875 1.00 41.19 O HETATM 4425 O HOH A 432 20.798 -1.928 32.694 1.00 47.67 O HETATM 4426 O HOH A 440 10.624 -28.416 37.794 1.00 27.91 O HETATM 4427 O HOH A 445 -11.470 -14.821 42.036 1.00 35.25 O HETATM 4428 O HOH A 446 -3.309 -7.833 51.628 1.00 30.20 O HETATM 4429 O HOH A 447 -15.280 -14.040 28.700 1.00 25.04 O HETATM 4430 O HOH A 448 -0.465 -18.210 51.520 1.00 38.03 O HETATM 4431 O HOH A 449 15.708 -21.700 21.732 1.00 29.59 O HETATM 4432 O HOH A 450 -0.121 -31.361 26.993 1.00 28.88 O HETATM 4433 O HOH A 451 14.743 -15.893 42.267 1.00 24.65 O HETATM 4434 O HOH A 452 -1.561 -0.354 52.586 1.00 41.92 O HETATM 4435 O HOH A 453 13.370 -23.879 14.313 1.00 34.11 O HETATM 4436 O HOH A 456 7.678 -27.455 40.381 1.00 38.22 O HETATM 4437 O HOH A 457 3.247 -13.554 56.756 1.00 34.71 O HETATM 4438 O HOH A 463 2.262 -9.939 56.936 1.00 33.31 O HETATM 4439 O HOH A 464 8.646 19.531 35.211 1.00 41.03 O HETATM 4440 O HOH A 466 15.881 -12.058 43.215 1.00 23.73 O HETATM 4441 O HOH A 468 -5.130 -18.797 44.718 1.00 50.48 O HETATM 4442 O HOH A 469 19.791 -16.930 38.552 1.00 36.68 O HETATM 4443 O HOH A 470 20.602 1.549 41.956 1.00 36.17 O HETATM 4444 O HOH A 476 17.591 3.552 51.640 1.00 43.61 O HETATM 4445 O HOH A 478 16.335 -24.570 37.218 1.00 49.48 O HETATM 4446 O HOH A 481 10.750 -25.226 41.399 1.00 35.74 O HETATM 4447 O HOH A 482 -7.243 -14.086 8.996 1.00 47.81 O HETATM 4448 O HOH A 489 0.144 -28.772 20.525 1.00 39.35 O HETATM 4449 O HOH A 490 19.496 -5.141 33.988 1.00 33.71 O HETATM 4450 O HOH A 492 15.966 -17.731 51.477 1.00 62.93 O HETATM 4451 O HOH A 498 -3.542 -38.622 33.001 1.00 41.77 O HETATM 4452 O HOH A 502 5.961 7.738 29.937 1.00 36.96 O HETATM 4453 O HOH A 505 11.476 13.241 30.080 1.00 35.75 O HETATM 4454 O HOH A 513 -3.245 -35.619 28.036 1.00 30.23 O HETATM 4455 O HOH A 515 -2.934 -5.331 49.439 1.00 48.07 O HETATM 4456 O HOH A 517 -1.150 -5.681 45.897 1.00 37.12 O HETATM 4457 O HOH A 529 13.586 -27.223 43.006 1.00 52.55 O HETATM 4458 O HOH A 534 -7.569 -21.878 30.211 1.00 23.39 O HETATM 4459 O HOH A 535 -13.078 -8.493 22.529 1.00 26.43 O HETATM 4460 O HOH A 536 -10.915 -10.746 20.135 1.00 34.68 O HETATM 4461 O HOH A 608 2.318 5.226 26.311 1.00 28.61 O HETATM 4462 O HOH A 611 4.829 -28.429 39.286 1.00 32.49 O HETATM 4463 O HOH A 615 -3.380 -1.786 32.658 1.00 37.88 O HETATM 4464 O HOH A 617 -7.539 -32.258 42.229 1.00 30.12 O HETATM 4465 O HOH A 621 5.032 -4.461 34.891 1.00 44.23 O HETATM 4466 O HOH A 622 0.289 7.045 47.254 1.00 62.11 O HETATM 4467 O HOH A 624 10.254 -20.414 11.044 1.00 38.32 O HETATM 4468 O HOH A 626 2.926 -2.734 34.398 1.00 39.39 O HETATM 4469 O HOH A 630 7.238 -26.158 42.558 1.00 25.56 O HETATM 4470 O HOH A 631 -3.927 -25.918 17.292 1.00 30.05 O HETATM 4471 O HOH A 632 3.448 10.744 53.042 1.00 32.34 O HETATM 4472 O HOH A 633 17.345 7.466 33.466 1.00 33.67 O HETATM 4473 O HOH A 636 2.302 -22.500 13.781 1.00 37.41 O HETATM 4474 O HOH A 639 4.772 10.475 46.172 1.00 37.40 O HETATM 4475 O HOH A 640 0.934 0.076 54.196 1.00 35.46 O HETATM 4476 O HOH A 642 -2.623 -1.416 37.136 1.00 43.82 O HETATM 4477 O HOH A 643 2.538 -34.109 30.573 1.00 37.32 O HETATM 4478 O HOH A 644 7.944 -16.936 51.878 1.00 40.40 O HETATM 4479 O HOH A 645 10.568 -24.231 44.227 1.00 47.34 O HETATM 4480 O HOH A 646 7.271 -31.349 34.806 1.00 36.02 O HETATM 4481 O HOH A 647 -10.376 -29.372 40.383 1.00 49.92 O HETATM 4482 O HOH A 652 4.245 -20.119 13.512 1.00 42.03 O HETATM 4483 O HOH A 653 17.639 -22.851 35.550 1.00 41.93 O HETATM 4484 O HOH A 655 -3.350 -10.465 42.540 1.00 39.84 O HETATM 4485 O HOH A 656 -2.309 -6.654 56.780 1.00 49.22 O HETATM 4486 O HOH A 660 20.408 -23.834 12.803 1.00 43.54 O HETATM 4487 O HOH A 661 -5.780 -2.930 36.331 1.00 37.59 O HETATM 4488 O HOH A 662 5.904 -9.339 58.747 1.00 35.96 O HETATM 4489 O HOH A 665 19.696 -6.287 40.178 1.00 42.00 O HETATM 4490 O HOH A 666 -0.455 -10.348 33.438 1.00 48.21 O HETATM 4491 O HOH A 667 -15.004 0.101 30.901 1.00 45.44 O HETATM 4492 O HOH A 669 -6.399 -20.739 15.861 1.00 39.14 O HETATM 4493 O HOH A 670 -1.532 -5.770 30.394 1.00 37.67 O HETATM 4494 O HOH A 671 13.891 -31.929 25.979 1.00 38.22 O HETATM 4495 O HOH A 672 -2.250 -22.921 8.590 1.00 51.84 O HETATM 4496 O HOH A 673 17.950 9.506 43.485 1.00 40.37 O HETATM 4497 O HOH A 675 17.255 -28.955 24.660 1.00 35.37 O HETATM 4498 O HOH A 676 7.739 -33.897 25.827 1.00 38.77 O HETATM 4499 O HOH A 677 21.606 -13.177 34.678 1.00 45.01 O HETATM 4500 O HOH A 680 3.876 -37.819 31.199 1.00 40.35 O HETATM 4501 O HOH A 681 19.369 10.380 38.794 1.00 46.92 O HETATM 4502 O HOH A 683 16.981 4.676 54.227 1.00 42.93 O HETATM 4503 O HOH A 684 -20.414 -10.503 22.398 1.00 38.76 O HETATM 4504 O HOH A 685 -12.193 -4.008 18.309 1.00 43.35 O HETATM 4505 O HOH A 686 -2.540 -20.925 47.614 1.00 40.85 O HETATM 4506 O HOH A 689 -10.575 -21.261 32.354 1.00 46.47 O HETATM 4507 O HOH A 690 18.925 -24.934 39.365 1.00 45.92 O HETATM 4508 O HOH A 692 -18.023 -8.816 20.214 1.00 46.04 O HETATM 4509 O HOH A 693 1.635 -37.630 33.192 1.00 39.42 O HETATM 4510 O HOH A 694 16.741 -30.675 27.195 1.00 42.76 O HETATM 4511 O HOH A 695 -12.685 -25.179 38.512 1.00 41.81 O HETATM 4512 O HOH A 698 11.321 -23.220 47.831 1.00 52.82 O HETATM 4513 O HOH A 699 -9.393 -12.468 9.617 1.00 43.87 O HETATM 4514 O HOH A 702 -9.193 -10.684 12.021 1.00 54.86 O HETATM 4515 O HOH A 705 -0.562 2.373 50.886 1.00 44.35 O HETATM 4516 O HOH A 707 18.640 -8.308 38.582 1.00 40.98 O HETATM 4517 O HOH A 712 14.157 -26.466 14.231 1.00 43.31 O HETATM 4518 O HOH A 715 20.262 -12.466 32.197 1.00 42.47 O HETATM 4519 O HOH A 718 -17.738 -4.658 21.370 1.00 47.94 O HETATM 4520 O HOH A 720 21.294 8.566 41.919 1.00 41.94 O HETATM 4521 O HOH A 723 -5.953 -8.515 50.228 1.00 43.50 O HETATM 4522 O HOH A 727 -13.205 -8.162 20.081 1.00 53.86 O HETATM 4523 O HOH A 729 -2.813 -2.401 45.826 1.00 60.84 O HETATM 4524 O HOH A 731 19.940 -29.340 25.891 1.00 46.87 O HETATM 4525 O HOH A 734 2.158 2.066 34.035 1.00 46.22 O HETATM 4526 O HOH A 739 1.066 14.465 29.509 1.00 51.96 O HETATM 4527 O HOH B 267 27.589 -8.160 28.356 1.00 18.80 O HETATM 4528 O HOH B 268 28.860 3.077 22.539 1.00 17.37 O HETATM 4529 O HOH B 269 9.325 7.371 25.400 1.00 21.17 O HETATM 4530 O HOH B 273 29.846 8.496 17.612 1.00 19.88 O HETATM 4531 O HOH B 275 8.130 3.280 23.544 1.00 17.08 O HETATM 4532 O HOH B 276 33.526 -10.933 16.882 1.00 22.05 O HETATM 4533 O HOH B 280 29.906 -3.909 16.677 1.00 18.32 O HETATM 4534 O HOH B 287 35.580 -0.961 22.571 1.00 18.60 O HETATM 4535 O HOH B 290 23.249 -10.218 -0.251 1.00 28.45 O HETATM 4536 O HOH B 292 16.837 7.956 26.228 1.00 21.64 O HETATM 4537 O HOH B 294 28.494 2.404 26.761 1.00 22.38 O HETATM 4538 O HOH B 295 13.611 -5.790 13.113 1.00 22.48 O HETATM 4539 O HOH B 296 15.699 -22.880 15.180 1.00 28.41 O HETATM 4540 O HOH B 303 27.903 6.672 18.424 1.00 25.88 O HETATM 4541 O HOH B 306 -2.146 1.612 20.967 1.00 35.20 O HETATM 4542 O HOH B 307 15.877 7.103 31.364 1.00 24.71 O HETATM 4543 O HOH B 310 37.099 -9.653 11.424 1.00 23.80 O HETATM 4544 O HOH B 311 29.129 -17.971 16.786 1.00 25.86 O HETATM 4545 O HOH B 314 20.174 -8.854 9.270 1.00 25.08 O HETATM 4546 O HOH B 316 42.430 -6.809 9.674 1.00 34.32 O HETATM 4547 O HOH B 318 38.198 5.362 11.152 1.00 28.31 O HETATM 4548 O HOH B 324 4.410 12.542 24.714 1.00 27.83 O HETATM 4549 O HOH B 325 22.255 -3.387 8.886 1.00 22.79 O HETATM 4550 O HOH B 326 30.338 2.050 24.728 1.00 25.50 O HETATM 4551 O HOH B 327 17.427 6.281 4.297 1.00 20.47 O HETATM 4552 O HOH B 329 14.604 -6.645 4.139 1.00 21.92 O HETATM 4553 O HOH B 330 11.175 -10.854 -1.507 1.00 32.28 O HETATM 4554 O HOH B 334 4.597 -1.573 15.776 1.00 21.51 O HETATM 4555 O HOH B 335 21.216 -22.505 20.404 1.00 31.96 O HETATM 4556 O HOH B 336 16.761 3.822 2.674 1.00 26.70 O HETATM 4557 O HOH B 338 4.034 -8.955 3.103 1.00 33.78 O HETATM 4558 O HOH B 340 31.179 -10.163 12.820 1.00 24.01 O HETATM 4559 O HOH B 342 19.281 -11.376 10.158 1.00 36.97 O HETATM 4560 O HOH B 347 18.325 4.608 27.947 1.00 21.58 O HETATM 4561 O HOH B 350 12.279 17.198 13.953 1.00 35.54 O HETATM 4562 O HOH B 351 39.766 -8.929 27.047 1.00 32.96 O HETATM 4563 O HOH B 353 43.451 -11.856 13.854 1.00 26.94 O HETATM 4564 O HOH B 359 45.367 -8.869 26.024 1.00 26.08 O HETATM 4565 O HOH B 363 3.887 17.456 14.495 1.00 30.55 O HETATM 4566 O HOH B 367 4.752 2.002 17.108 1.00 23.38 O HETATM 4567 O HOH B 369 34.673 -1.370 25.425 1.00 29.54 O HETATM 4568 O HOH B 371 28.792 -8.210 1.823 1.00 32.39 O HETATM 4569 O HOH B 377 35.403 4.595 23.842 1.00 24.55 O HETATM 4570 O HOH B 385 3.713 5.244 4.514 1.00 33.54 O HETATM 4571 O HOH B 386 33.606 -0.863 5.638 1.00 35.81 O HETATM 4572 O HOH B 387 34.721 -12.329 11.851 1.00 27.44 O HETATM 4573 O HOH B 388 0.822 3.070 7.945 1.00 26.97 O HETATM 4574 O HOH B 390 30.163 5.443 4.202 1.00 33.19 O HETATM 4575 O HOH B 394 10.160 4.919 0.995 1.00 38.37 O HETATM 4576 O HOH B 399 44.763 -3.997 13.509 1.00 36.61 O HETATM 4577 O HOH B 404 22.155 7.624 27.005 1.00 29.11 O HETATM 4578 O HOH B 406 36.533 15.457 12.072 1.00 47.18 O HETATM 4579 O HOH B 411 37.562 -1.404 9.244 1.00 30.72 O HETATM 4580 O HOH B 414 20.927 -19.683 29.914 1.00 26.07 O HETATM 4581 O HOH B 417 10.204 14.920 20.200 1.00 26.76 O HETATM 4582 O HOH B 418 28.783 10.863 16.737 1.00 31.37 O HETATM 4583 O HOH B 426 10.122 12.023 26.448 1.00 30.25 O HETATM 4584 O HOH B 428 38.684 2.865 17.707 1.00 29.48 O HETATM 4585 O HOH B 433 23.003 -0.766 32.522 1.00 43.84 O HETATM 4586 O HOH B 436 31.693 10.119 3.078 1.00 48.42 O HETATM 4587 O HOH B 437 2.183 -22.757 6.105 1.00 48.82 O HETATM 4588 O HOH B 438 13.009 21.361 2.595 1.00 53.09 O HETATM 4589 O HOH B 441 40.007 8.039 11.116 1.00 34.02 O HETATM 4590 O HOH B 442 22.471 -9.806 31.006 1.00 35.02 O HETATM 4591 O HOH B 444 31.511 -0.140 24.722 1.00 31.40 O HETATM 4592 O HOH B 454 34.057 5.591 7.328 1.00 38.49 O HETATM 4593 O HOH B 455 3.199 -18.131 9.056 1.00 31.46 O HETATM 4594 O HOH B 461 29.978 -0.088 -1.116 1.00 37.68 O HETATM 4595 O HOH B 462 2.751 0.547 14.829 1.00 32.47 O HETATM 4596 O HOH B 467 22.964 18.017 18.242 1.00 48.92 O HETATM 4597 O HOH B 475 45.828 -10.958 19.461 1.00 38.09 O HETATM 4598 O HOH B 477 23.538 12.956 19.971 1.00 37.32 O HETATM 4599 O HOH B 480 1.565 -7.147 1.173 1.00 38.19 O HETATM 4600 O HOH B 483 22.395 11.390 15.211 1.00 29.53 O HETATM 4601 O HOH B 484 11.408 15.271 22.878 1.00 33.80 O HETATM 4602 O HOH B 485 16.896 14.646 1.642 1.00 35.84 O HETATM 4603 O HOH B 495 34.870 -2.037 3.575 1.00 41.31 O HETATM 4604 O HOH B 496 40.167 1.726 10.721 1.00 42.68 O HETATM 4605 O HOH B 497 12.175 -4.273 -4.496 1.00 51.66 O HETATM 4606 O HOH B 499 41.234 5.593 11.916 1.00 48.16 O HETATM 4607 O HOH B 500 22.947 -13.170 14.710 1.00 30.62 O HETATM 4608 O HOH B 503 11.908 13.447 9.272 1.00 41.52 O HETATM 4609 O HOH B 504 31.503 7.290 2.047 1.00 45.29 O HETATM 4610 O HOH B 506 21.774 -7.374 10.532 1.00 46.24 O HETATM 4611 O HOH B 508 24.404 -32.469 24.156 1.00 54.41 O HETATM 4612 O HOH B 510 8.257 14.017 29.862 1.00 42.99 O HETATM 4613 O HOH B 512 13.640 -19.505 10.206 1.00 34.58 O HETATM 4614 O HOH B 516 28.141 17.232 9.731 1.00 42.88 O HETATM 4615 O HOH B 521 41.878 -14.866 10.779 1.00 54.97 O HETATM 4616 O HOH B 522 37.664 3.177 9.655 1.00 44.76 O HETATM 4617 O HOH B 523 27.858 -15.428 -1.622 1.00 47.80 O HETATM 4618 O HOH B 524 25.274 -7.486 31.499 1.00 49.30 O HETATM 4619 O HOH B 528 37.343 1.201 25.517 1.00 49.41 O HETATM 4620 O HOH B 532 30.960 -6.062 7.214 1.00 41.36 O HETATM 4621 O HOH B 538 30.724 -2.275 26.348 1.00 19.89 O HETATM 4622 O HOH B 540 33.546 -4.309 3.165 1.00 27.97 O HETATM 4623 O HOH B 541 31.285 -4.899 4.644 1.00 30.88 O HETATM 4624 O HOH B 612 18.562 -23.961 21.134 1.00 37.67 O HETATM 4625 O HOH B 614 11.401 10.852 8.125 1.00 32.53 O HETATM 4626 O HOH B 616 16.368 -4.432 -4.265 1.00 30.91 O HETATM 4627 O HOH B 625 24.136 12.213 24.913 1.00 41.37 O HETATM 4628 O HOH B 627 26.422 -5.682 30.039 1.00 40.86 O HETATM 4629 O HOH B 628 28.810 15.012 14.819 1.00 42.87 O HETATM 4630 O HOH B 629 41.860 -7.829 28.425 1.00 41.61 O HETATM 4631 O HOH B 634 26.314 18.693 10.272 1.00 37.27 O HETATM 4632 O HOH B 635 24.375 4.985 29.318 1.00 27.32 O HETATM 4633 O HOH B 637 21.414 5.223 30.623 1.00 31.75 O HETATM 4634 O HOH B 638 19.236 16.866 14.111 1.00 34.67 O HETATM 4635 O HOH B 641 23.267 4.641 -0.803 1.00 39.01 O HETATM 4636 O HOH B 648 9.760 -18.468 1.099 1.00 49.35 O HETATM 4637 O HOH B 649 17.431 8.907 28.501 1.00 42.27 O HETATM 4638 O HOH B 650 35.895 1.226 8.241 1.00 44.06 O HETATM 4639 O HOH B 651 41.229 -16.465 25.556 1.00 40.22 O HETATM 4640 O HOH B 654 46.106 -7.803 18.438 1.00 32.76 O HETATM 4641 O HOH B 657 22.833 14.391 26.016 1.00 42.23 O HETATM 4642 O HOH B 658 26.498 -28.884 27.858 1.00 39.82 O HETATM 4643 O HOH B 659 30.428 -12.683 31.582 1.00 36.76 O HETATM 4644 O HOH B 664 24.045 -24.711 22.589 1.00 51.12 O HETATM 4645 O HOH B 668 22.897 -17.836 32.383 1.00 48.20 O HETATM 4646 O HOH B 674 46.147 -11.389 12.938 1.00 46.80 O HETATM 4647 O HOH B 679 8.208 -9.060 0.443 1.00 38.62 O HETATM 4648 O HOH B 682 17.974 18.980 6.065 1.00 43.00 O HETATM 4649 O HOH B 687 40.471 1.628 26.018 1.00 51.63 O HETATM 4650 O HOH B 688 11.957 -6.825 -6.391 1.00 48.78 O HETATM 4651 O HOH B 691 23.221 13.608 13.860 1.00 44.42 O HETATM 4652 O HOH B 696 -1.873 3.542 9.590 1.00 55.84 O HETATM 4653 O HOH B 697 25.344 -13.662 6.219 1.00 41.85 O HETATM 4654 O HOH B 700 21.783 13.208 16.989 1.00 38.96 O HETATM 4655 O HOH B 701 1.867 7.431 20.065 1.00 49.23 O HETATM 4656 O HOH B 703 -3.326 -2.196 0.638 1.00 50.77 O HETATM 4657 O HOH B 704 26.098 18.642 3.655 1.00 47.52 O HETATM 4658 O HOH B 706 22.273 18.953 5.894 1.00 45.12 O HETATM 4659 O HOH B 708 43.034 -18.968 19.829 1.00 43.66 O HETATM 4660 O HOH B 709 0.989 2.367 4.444 1.00 44.95 O HETATM 4661 O HOH B 711 43.963 -10.932 10.467 1.00 45.73 O HETATM 4662 O HOH B 713 17.836 16.693 22.680 1.00 41.02 O HETATM 4663 O HOH B 714 20.690 -5.623 12.154 1.00 41.55 O HETATM 4664 O HOH B 716 31.163 -21.158 35.079 1.00 47.25 O HETATM 4665 O HOH B 719 23.942 9.022 25.255 1.00 36.02 O HETATM 4666 O HOH B 721 34.899 -8.011 29.073 1.00 38.67 O HETATM 4667 O HOH B 722 28.851 -16.480 33.972 1.00 48.04 O HETATM 4668 O HOH B 724 27.455 13.685 12.860 1.00 49.43 O HETATM 4669 O HOH B 725 -8.985 -11.503 6.716 1.00 47.47 O HETATM 4670 O HOH B 726 -3.218 0.334 3.276 1.00 42.43 O HETATM 4671 O HOH B 728 24.292 15.896 24.366 1.00 46.42 O HETATM 4672 O HOH B 730 45.512 4.897 17.926 1.00 51.54 O HETATM 4673 O HOH B 732 26.722 -33.065 22.923 1.00 51.70 O HETATM 4674 O HOH B 733 39.593 -23.084 21.371 1.00 49.48 O HETATM 4675 O HOH B 735 35.866 10.767 7.845 1.00 51.28 O HETATM 4676 O HOH B 736 -0.292 9.116 23.887 1.00 45.83 O HETATM 4677 O HOH B 737 6.429 15.637 26.096 1.00 57.36 O HETATM 4678 O HOH B 738 25.665 11.814 14.744 1.00 52.04 O HETATM 4679 O HOH B 740 39.642 -1.562 27.093 1.00 38.33 O HETATM 4680 O HOH B 741 8.740 -11.534 -1.614 1.00 51.13 O CONECT 1 2 9 CONECT 2 1 3 7 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 CONECT 7 2 8 12 CONECT 8 7 CONECT 9 1 10 11 CONECT 10 9 CONECT 11 9 CONECT 12 7 CONECT 2159 2160 2167 CONECT 2160 2159 2161 2165 CONECT 2161 2160 2162 CONECT 2162 2161 2163 CONECT 2163 2162 2164 CONECT 2164 2163 CONECT 2165 2160 2166 2170 CONECT 2166 2165 CONECT 2167 2159 2168 2169 CONECT 2168 2167 CONECT 2169 2167 CONECT 2170 2165 CONECT 4295 4296 4297 4298 CONECT 4296 4295 CONECT 4297 4295 CONECT 4298 4295 CONECT 4299 4300 4301 4302 4303 CONECT 4300 4299 CONECT 4301 4299 CONECT 4302 4299 CONECT 4303 4299 CONECT 4304 4305 CONECT 4305 4304 4306 CONECT 4306 4305 4307 4308 CONECT 4307 4306 CONECT 4308 4306 4309 4310 CONECT 4309 4308 CONECT 4310 4308 4311 CONECT 4311 4310 CONECT 4312 4313 4314 4315 CONECT 4313 4312 CONECT 4314 4312 CONECT 4315 4312 CONECT 4316 4317 4318 4319 CONECT 4317 4316 CONECT 4318 4316 CONECT 4319 4316 CONECT 4320 4321 4322 4323 4324 CONECT 4321 4320 CONECT 4322 4320 CONECT 4323 4320 CONECT 4324 4320 CONECT 4325 4326 CONECT 4326 4325 4327 CONECT 4327 4326 4328 4329 CONECT 4328 4327 CONECT 4329 4327 4330 4331 CONECT 4330 4329 CONECT 4331 4329 4332 CONECT 4332 4331 END