USER MOD reduce.3.24.130724 H: found=0, std=0, add=1786, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1725 hydrogens (64 hets) HEADER HYDROLASE 20-JUN-05 2A1E TITLE HIGH RESOLUTION STRUCTURE OF HIV-1 PR WITH TS-126 COMPND MOL_ID: 1; COMPND 2 MOLECULE: POL POLYPROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: PROTEASE; COMPND 5 SYNONYM: HIV-1 PROTEASE; COMPND 6 EC: 3.4.23.16; COMPND 7 ENGINEERED: YES; COMPND 8 MUTATION: YES; COMPND 9 OTHER_DETAILS: IPF: PSEUDO-ESAPEPTIDE BUILT UP FROM A DI- COMPND 0 HYDROXYETHYLENE PHE-PRO ISOSTERE CORE, COUPLED WITH 2 EQUIVALENTS OF COMPND 1 AC-NH-TRP-VAL-OH. SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; SOURCE 3 ORGANISM_TAXID: 11676; SOURCE 4 GENE: GAG-POL; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET11A KEYWDS HIV PR, PEPTIDOMIMETIC INHIBITOR, STEREOISOMER, SCREENING A MIXTURE, KEYWDS 2 HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR N.DEMITRI,S.GEREMIA,L.RANDACCIO,J.WUERGES,F.BENEDETTI,F.BERTI, AUTHOR 2 F.DINON,P.CAMPANER,G.TELL REVDAT 3 13-JUL-11 2A1E 1 VERSN REVDAT 2 24-FEB-09 2A1E 1 VERSN REVDAT 1 21-FEB-06 2A1E 0 JRNL AUTH S.GEREMIA,N.DEMITRI,J.WUERGES,F.BENEDETTI,F.BERTI,G.TELL, JRNL AUTH 2 L.RANDACCIO JRNL TITL A POTENT HIV PROTEASE INHIBITOR IDENTIFIED IN AN EPIMERIC JRNL TITL 2 MIXTURE BY HIGH-RESOLUTION PROTEIN CRYSTALLOGRAPHY. JRNL REF CHEMMEDCHEM V. 1 186 2006 JRNL REFN ISSN 1860-7179 JRNL PMID 16892350 JRNL DOI 10.1002/CMDC.200500063 REMARK 2 REMARK 2 RESOLUTION. 1.30 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : SHELXL-97 REMARK 3 AUTHORS : G.M.SHELDRICK REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.30 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.6 REMARK 3 CROSS-VALIDATION METHOD : FREE R REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (NO CUTOFF). REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.156 REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.156 REMARK 3 FREE R VALUE (NO CUTOFF) : 0.201 REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : 2761 REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 55106 REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F). REMARK 3 R VALUE (WORKING + TEST SET, F>4SIG(F)) : 0.135 REMARK 3 R VALUE (WORKING SET, F>4SIG(F)) : NULL REMARK 3 FREE R VALUE (F>4SIG(F)) : 0.178 REMARK 3 FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (F>4SIG(F)) : 2124 REMARK 3 TOTAL NUMBER OF REFLECTIONS (F>4SIG(F)) : 40745 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1512 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 102 REMARK 3 SOLVENT ATOMS : 272 REMARK 3 REMARK 3 MODEL REFINEMENT. REMARK 3 OCCUPANCY SUM OF NON-HYDROGEN ATOMS : 1849.00 REMARK 3 OCCUPANCY SUM OF HYDROGEN ATOMS : 1679.00 REMARK 3 NUMBER OF DISCRETELY DISORDERED RESIDUES : 8 REMARK 3 NUMBER OF LEAST-SQUARES PARAMETERS : 15541 REMARK 3 NUMBER OF RESTRAINTS : 18509 REMARK 3 REMARK 3 RMS DEVIATIONS FROM RESTRAINT TARGET VALUES. REMARK 3 BOND LENGTHS (A) : 0.013 REMARK 3 ANGLE DISTANCES (A) : 0.033 REMARK 3 SIMILAR DISTANCES (NO TARGET VALUES) (A) : 0.000 REMARK 3 DISTANCES FROM RESTRAINT PLANES (A) : 0.030 REMARK 3 ZERO CHIRAL VOLUMES (A**3) : 0.067 REMARK 3 NON-ZERO CHIRAL VOLUMES (A**3) : 0.069 REMARK 3 ANTI-BUMPING DISTANCE RESTRAINTS (A) : 0.019 REMARK 3 RIGID-BOND ADP COMPONENTS (A**2) : 0.004 REMARK 3 SIMILAR ADP COMPONENTS (A**2) : 0.053 REMARK 3 APPROXIMATELY ISOTROPIC ADPS (A**2) : 0.000 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED: NULL REMARK 3 REMARK 3 STEREOCHEMISTRY TARGET VALUES : ENGH & HUBER REMARK 3 SPECIAL CASE: NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: ANISOTROPIC REFINEMENT REDUCED FREE R REMARK 3 (NO CUTOFF) BY 3.3% REMARK 4 REMARK 4 2A1E COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 28-JUN-05. REMARK 100 THE RCSB ID CODE IS RCSB033370. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 03-OCT-04 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ELETTRA REMARK 200 BEAMLINE : 5.2R REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.200 REMARK 200 MONOCHROMATOR : SI(111) REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 55106 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.300 REMARK 200 RESOLUTION RANGE LOW (A) : 10.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.6 REMARK 200 DATA REDUNDANCY : 2.700 REMARK 200 R MERGE (I) : 0.06100 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 10.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.30 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.37 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.3 REMARK 200 DATA REDUNDANCY IN SHELL : 2.70 REMARK 200 R MERGE FOR SHELL (I) : 0.40800 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.500 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: 1S6G REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 52.81 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.61 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: AMMONIUM SULFATE, DMSO, SODIUM REMARK 280 ACETATE, PH 6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2 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 28.63450 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 42.47800 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 28.63450 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 42.47800 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 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,PQS REMARK 350 TOTAL BURIED SURFACE AREA: 7010 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9350 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -38.0 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 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH B 478 LIES ON A SPECIAL POSITION. 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 ARG A 8 NE - CZ - NH1 ANGL. DEV. = 5.2 DEGREES REMARK 500 ARG A 8 NE - CZ - NH2 ANGL. DEV. = -4.3 DEGREES REMARK 500 ARG B 8 NE - CZ - NH1 ANGL. DEV. = 4.5 DEGREES REMARK 500 ARG B 41 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES REMARK 500 ARG B 57 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES REMARK 500 GLU B 65 OE1 - CD - OE2 ANGL. DEV. = 8.0 DEGREES 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 360 DISTANCE = 5.31 ANGSTROMS REMARK 525 HOH A 384 DISTANCE = 5.01 ANGSTROMS REMARK 525 HOH A 408 DISTANCE = 5.83 ANGSTROMS REMARK 525 HOH A 410 DISTANCE = 5.30 ANGSTROMS REMARK 525 HOH A 414 DISTANCE = 5.20 ANGSTROMS REMARK 525 HOH A 431 DISTANCE = 6.98 ANGSTROMS REMARK 525 HOH A 438 DISTANCE = 5.08 ANGSTROMS REMARK 525 HOH A 439 DISTANCE = 5.12 ANGSTROMS REMARK 525 HOH B 470 DISTANCE = 5.06 ANGSTROMS REMARK 525 HOH B 534 DISTANCE = 7.31 ANGSTROMS REMARK 525 HOH B 536 DISTANCE = 5.40 ANGSTROMS REMARK 525 HOH B 537 DISTANCE = 6.14 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA B 305 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CL B 307 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT B 308 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACT B 309 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPF B 400 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 303 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS B 306 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMS A 310 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL B 304 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1FGC RELATED DB: PDB REMARK 900 RELATED ID: 1S6G RELATED DB: PDB DBREF 2A1E A 1 99 UNP P03367 POL_HV1BR 69 167 DBREF 2A1E B 1 99 UNP P03367 POL_HV1BR 69 167 SEQADV 2A1E LYS A 7 UNP P03367 GLN 75 ENGINEERED SEQADV 2A1E ILE A 33 UNP P03367 LEU 101 ENGINEERED SEQADV 2A1E ILE A 63 UNP P03367 LEU 131 ENGINEERED SEQADV 2A1E ALA A 67 UNP P03367 CYS 135 ENGINEERED SEQADV 2A1E ALA A 95 UNP P03367 CYS 163 ENGINEERED SEQADV 2A1E LYS B 7 UNP P03367 GLN 75 ENGINEERED SEQADV 2A1E ILE B 33 UNP P03367 LEU 101 ENGINEERED SEQADV 2A1E ILE B 63 UNP P03367 LEU 131 ENGINEERED SEQADV 2A1E ALA B 67 UNP P03367 CYS 135 ENGINEERED SEQADV 2A1E ALA B 95 UNP P03367 CYS 163 ENGINEERED SEQRES 1 A 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL ILE GLU GLU MET SER LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE ILE ILE GLU SEQRES 6 A 99 ILE ALA GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY ALA THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP LYS ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL ILE GLU GLU MET SER LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE ILE ILE GLU SEQRES 6 B 99 ILE ALA GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY ALA THR LEU ASN PHE HET NA B 305 1 HET CL B 307 1 HET ACT B 308 4 HET ACT B 309 4 HET IPF B 400 130 HET DMS A 301 4 HET DMS A 302 4 HET DMS A 303 4 HET DMS B 306 4 HET DMS A 310 4 HET GOL B 304 12 HETNAM NA SODIUM ION HETNAM CL CHLORIDE ION HETNAM ACT ACETATE ION HETNAM IPF N-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N- HETNAM 2 IPF ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-2-YL]-1-BENZYL-2,3- HETNAM 3 IPF DIHYDROXYPROPYL}VALINAMIDE HETNAM DMS DIMETHYL SULFOXIDE HETNAM GOL GLYCEROL HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL FORMUL 3 NA NA 1+ FORMUL 4 CL CL 1- FORMUL 5 ACT 2(C2 H3 O2 1-) FORMUL 7 IPF C50 H64 N8 O8 FORMUL 8 DMS 5(C2 H6 O S) FORMUL 13 GOL C3 H8 O3 FORMUL 14 HOH *272(H2 O) HELIX 1 1 GLY A 86 THR A 91 1 6 HELIX 2 2 GLY B 86 THR B 91 1 6 SHEET 1 A 4 GLN A 2 ILE A 3 0 SHEET 2 A 4 THR B 96 ASN B 98 -1 O LEU B 97 N ILE A 3 SHEET 3 A 4 THR A 96 ASN A 98 -1 N ASN A 98 O THR B 96 SHEET 4 A 4 GLN B 2 ILE B 3 -1 O ILE B 3 N LEU A 97 SHEET 1 B 8 TRP A 42 GLY A 49 0 SHEET 2 B 8 GLY A 52 ILE A 66 -1 O GLN A 58 N LYS A 43 SHEET 3 B 8 HIS A 69 VAL A 77 -1 O HIS A 69 N ILE A 66 SHEET 4 B 8 VAL A 32 ILE A 33 1 N ILE A 33 O LEU A 76 SHEET 5 B 8 ILE A 84 ILE A 85 -1 O ILE A 84 N VAL A 32 SHEET 6 B 8 GLN A 18 LEU A 24 1 N LEU A 23 O ILE A 85 SHEET 7 B 8 LEU A 10 ILE A 15 -1 N ILE A 13 O LYS A 20 SHEET 8 B 8 GLY A 52 ILE A 66 -1 O GLU A 65 N LYS A 14 SHEET 1 C 8 LYS B 43 GLY B 49 0 SHEET 2 C 8 GLY B 52 ILE B 66 -1 O GLN B 58 N LYS B 43 SHEET 3 C 8 HIS B 69 VAL B 77 -1 O HIS B 69 N ILE B 66 SHEET 4 C 8 VAL B 32 ILE B 33 1 N ILE B 33 O LEU B 76 SHEET 5 C 8 ILE B 84 ILE B 85 -1 O ILE B 84 N VAL B 32 SHEET 6 C 8 GLN B 18 LEU B 24 1 N LEU B 23 O ILE B 85 SHEET 7 C 8 LEU B 10 ILE B 15 -1 N ILE B 13 O LYS B 20 SHEET 8 C 8 GLY B 52 ILE B 66 -1 O GLU B 65 N LYS B 14 LINK OE2 GLU B 65 NA NA B 305 1555 1555 2.71 SITE *** AC1 7 GLN A 18 LYS A 20 GLU A 35 MET A 36 SITE *** AC1 7 LYS B 14 GLU B 65 GOL B 304 SITE *** AC2 1 TRP B 6 SITE *** AC3 7 LEU A 5 TRP A 6 ARG B 87 THR B 91 SITE *** AC3 7 HOH B 436 HOH B 471 HOH B 505 SITE *** AC4 2 GLY B 40 HOH B 442 SITE *** AC5 25 TRP A 6 ARG A 8 ASP A 25 GLY A 27 SITE *** AC5 25 ALA A 28 ASP A 29 ASP A 30 ILE A 47 SITE *** AC5 25 GLY A 48 ILE A 50 VAL A 82 ARG B 8 SITE *** AC5 25 LEU B 23 ASP B 25 GLY B 27 ALA B 28 SITE *** AC5 25 ASP B 29 ASP B 30 ILE B 47 GLY B 48 SITE *** AC5 25 GLY B 49 ILE B 50 PRO B 81 ILE B 84 SITE *** AC5 25 HOH B 416 SITE *** AC6 6 ARG A 87 ASN A 88 THR A 91 LEU B 5 SITE *** AC6 6 TRP B 6 ARG B 41 SITE *** AC7 6 GLY A 73 THR A 74 ASN A 88 HOH A 372 SITE *** AC7 6 ARG B 41 HOH B 520 SITE *** AC8 6 GLN A 18 LEU A 19 LYS A 20 GLU B 65 SITE *** AC8 6 GLY B 68 LYS B 70 SITE *** AC9 5 GLU B 35 LYS B 55 ARG B 57 VAL B 77 SITE *** AC9 5 HOH B 479 SITE *** BC1 6 THR A 12 GLU A 65 ILE A 66 ALA A 67 SITE *** BC1 6 GLY A 68 HOH A 344 SITE *** BC2 11 GLN A 18 MET A 36 SER A 37 THR B 12 SITE *** BC2 11 ILE B 13 LYS B 14 GLU B 65 ILE B 66 SITE *** BC2 11 ALA B 67 GLY B 68 NA B 305 CRYST1 57.269 84.956 46.061 90.00 90.00 90.00 P 21 21 2 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 0.017461 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011771 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021710 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 Set 1.1: B 18 GLN : amide:sc=-0.000199 X(o=-0.16,f=-0.17) USER MOD Set 1.2: B 36 MET CE :methyl -133:sc= -0.162 (180deg=-0.677) USER MOD Set 2.1: B 31 THR OG1 : rot 79:sc= 0.929 USER MOD Set 2.2: B 88 ASN : amide:sc= 1.43 K(o=2.4,f=1) USER MOD Set 3.1: A 91 THR OG1 : rot -149:sc= 1.02 USER MOD Set 3.2: A 92 GLN : amide:sc= 0.986 X(o=2,f=2) USER MOD Set 4.1: A 74 THR OG1 : rot -89:sc= 2.27 USER MOD Set 4.2: A 302 DMS C1 :methyl -146:sc= -3.6! (180deg=-1.91) USER MOD Set 4.3: A 302 DMS C2 :methyl -174:sc= -0.041 (180deg=-0.000316) USER MOD Set 5.1: A 31 THR OG1 : rot 80:sc= 1.24 USER MOD Set 5.2: A 88 ASN : amide:sc= 1.77 K(o=3,f=0.33) USER MOD Set 6.1: A 26 THR OG1 : rot 102:sc= 1.34 USER MOD Set 6.2: B 26 THR OG1 : rot 103:sc= 1.46 USER MOD Set 7.1: A 2 GLN : amide:sc= 0 K(o=6.8,f=7.7) USER MOD Set 7.2: A 96 THR OG1 : rot 84:sc= 2.27 USER MOD Set 7.3: A 98 ASN : amide:sc= 0.599 K(o=6.8,f=7.5) USER MOD Set 7.4: B 2 GLN : amide:sc= 0.168 K(o=6.8,f=7.5) USER MOD Set 7.5: B 96 THR OG1 : rot 176:sc= 1.89 USER MOD Set 7.6: B 98 ASN : amide:sc= 1.85 K(o=6.8,f=7.5) USER MOD Single : A 4 THR OG1 : rot 80:sc= 1.01 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 1.61 K(o=1.6,f=0.054) USER MOD Single : A 20 LYS NZ :NH3+ -154:sc= 2.09 (180deg=1.02) USER MOD Single : A 36 MET CE :methyl -127:sc= -0.171 (180deg=-0.521) USER MOD Single : A 37 SER OG A: rot -71:sc= 0.264 USER MOD Single : A 37 SER OG B: rot -86:sc= 0.825 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= 1.39 (180deg=1.32) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 1.35 K(o=1.3,f=-0.93) USER MOD Single : A 59 TYR OH : rot -179:sc= 2.04 USER MOD Single : A 61 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.19) USER MOD Single : A 69 HIS : no HD1:sc= 1.05 K(o=1.1,f=-1.8!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -114:sc= 1.28 USER MOD Single : A 83 ASN : amide:sc= 1.16 K(o=1.2,f=-4.5!) USER MOD Single : A 301 DMS C1 :methyl 176:sc= -0.105 (180deg=-0.164) USER MOD Single : A 301 DMS C2 :methyl -179:sc= 0 (180deg=-0.00041) USER MOD Single : A 303 DMS C1 :methyl -161:sc= -0.0476 (180deg=-0.408) USER MOD Single : A 303 DMS C2 :methyl -162:sc= 0 (180deg=-0.182) USER MOD Single : A 310 DMS C1 :methyl 162:sc= 0 (180deg=-0.156) USER MOD Single : A 310 DMS C2 :methyl -167:sc= -0.0354 (180deg=-0.49) USER MOD Single : B 4 THR OG1 : rot -54:sc= 0.779 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 LYS NZ B:NH3+ 170:sc= 1.16 (180deg=1.09) USER MOD Single : B 20 LYS NZ :NH3+ -158:sc= 0.641 (180deg=0.418) USER MOD Single : B 37 SER OG A: rot 180:sc= 0 USER MOD Single : B 37 SER OG B: rot 180:sc= 0 USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 45 LYS NZ :NH3+ -142:sc= 1.53 (180deg=0.259) USER MOD Single : B 46 MET CE :methyl -161:sc= -0.518 (180deg=-1.28!) USER MOD Single : B 55 LYS NZ :NH3+ 174:sc=-0.00484 (180deg=-0.0323) USER MOD Single : B 58 GLN : amide:sc= 0.794 K(o=0.79,f=-0.67) USER MOD Single : B 59 TYR OH : rot -157:sc= 2.03 USER MOD Single : B 61 GLN : amide:sc= -0.0252 X(o=-0.025,f=0) USER MOD Single : B 69 HIS : no HE2:sc= 1.81 K(o=1.8,f=-4.1!) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 THR OG1 : rot -93:sc= 1.97 USER MOD Single : B 80 THR OG1 : rot -119:sc= 0.547 USER MOD Single : B 83 ASN : amide:sc= 1.55 K(o=1.6,f=-3.9!) USER MOD Single : B 91 THR OG1 : rot -165:sc= 0.671 USER MOD Single : B 92 GLN : amide:sc= 1.37 K(o=1.4,f=-5.1!) USER MOD Single : B 304 GOL O1 A: rot 180:sc= 0 USER MOD Single : B 304 GOL O1 B: rot 137:sc= 1.63 USER MOD Single : B 304 GOL O2 A: rot -139:sc= 0.2 USER MOD Single : B 304 GOL O2 B: rot 90:sc= 0.32 USER MOD Single : B 304 GOL O3 A: rot 37:sc= 1.19 USER MOD Single : B 304 GOL O3 B: rot 180:sc= 0 USER MOD Single : B 306 DMS C1 :methyl -118:sc= 0 (180deg=-0.0416) USER MOD Single : B 306 DMS C2 :methyl 168:sc= -0.243 (180deg=-0.503) USER MOD Single : B 400 IPF O27 : rot -159:sc= 0.969 USER MOD Single : B 400 IPF O32 : rot -90:sc= 0.182 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.662 39.854 17.232 1.00 29.32 N ANISOU 1 N PRO A 1 3539 2750 4853 115 -954 1864 N ATOM 2 CA PRO A 1 -0.178 38.802 17.774 1.00 26.46 C ANISOU 2 CA PRO A 1 3444 2433 4178 -268 -1591 1239 C ATOM 3 C PRO A 1 0.311 38.201 19.077 1.00 25.16 C ANISOU 3 C PRO A 1 2819 2889 3853 -709 -1310 1250 C ATOM 4 O PRO A 1 1.452 38.348 19.468 1.00 23.42 O ANISOU 4 O PRO A 1 2553 2800 3547 -311 -996 761 O ATOM 5 CB PRO A 1 -0.051 37.717 16.688 1.00 31.52 C ANISOU 5 CB PRO A 1 4734 3510 3734 -501 -614 961 C ATOM 6 CG PRO A 1 1.133 38.030 15.862 1.00 36.68 C ANISOU 6 CG PRO A 1 5038 3543 5357 -826 54 1040 C ATOM 7 CD PRO A 1 1.237 39.527 15.906 1.00 36.25 C ANISOU 7 CD PRO A 1 4717 3497 5561 -430 -95 1045 C ATOM 0 H2 PRO A 1 1.302 40.014 17.784 1.00 29.32 H new ATOM 0 H3 PRO A 1 0.200 40.576 17.167 1.00 29.32 H new ATOM 0 HA PRO A 1 -1.065 39.141 17.971 1.00 26.46 H new ATOM 0 HB2 PRO A 1 0.041 36.841 17.094 1.00 31.52 H new ATOM 0 HB3 PRO A 1 -0.850 37.692 16.139 1.00 31.52 H new ATOM 0 HG2 PRO A 1 1.932 37.610 16.217 1.00 36.68 H new ATOM 0 HG3 PRO A 1 1.024 37.710 14.953 1.00 36.68 H new ATOM 0 HD2 PRO A 1 2.156 39.827 15.828 1.00 36.25 H new ATOM 0 HD3 PRO A 1 0.740 39.944 15.185 1.00 36.25 H new ATOM 17 N GLN A 2 -0.600 37.478 19.722 1.00 19.76 N ANISOU 17 N GLN A 2 2120 1668 3722 638 -275 432 N ATOM 18 CA GLN A 2 -0.205 36.617 20.835 1.00 19.28 C ANISOU 18 CA GLN A 2 2177 1821 3329 447 -74 379 C ATOM 19 C GLN A 2 -0.419 35.189 20.353 1.00 19.62 C ANISOU 19 C GLN A 2 1953 1673 3828 264 -157 565 C ATOM 20 O GLN A 2 -1.504 34.766 19.980 1.00 26.53 O ANISOU 20 O GLN A 2 1840 1999 6240 221 -366 241 O ATOM 21 CB GLN A 2 -1.016 36.862 22.107 1.00 22.39 C ANISOU 21 CB GLN A 2 1970 2809 3730 532 142 261 C ATOM 22 CG GLN A 2 -0.648 35.802 23.130 1.00 27.95 C ANISOU 22 CG GLN A 2 2910 4151 3559 575 329 988 C ATOM 23 CD GLN A 2 -1.220 36.149 24.498 1.00 32.14 C ANISOU 23 CD GLN A 2 3359 4980 3871 489 699 626 C ATOM 24 OE1 GLN A 2 -0.582 36.949 25.180 1.00 38.94 O ANISOU 24 OE1 GLN A 2 4560 6684 3551 -319 327 316 O ATOM 25 NE2 GLN A 2 -2.363 35.537 24.804 1.00 39.08 N ANISOU 25 NE2 GLN A 2 3867 5290 5691 245 1975 -4 N ATOM 0 H GLN A 2 -1.440 37.470 19.536 1.00 19.76 H new ATOM 0 HA GLN A 2 0.716 36.802 21.076 1.00 19.28 H new ATOM 0 HB2 GLN A 2 -0.831 37.747 22.458 1.00 22.39 H new ATOM 0 HB3 GLN A 2 -1.966 36.826 21.913 1.00 22.39 H new ATOM 0 HG2 GLN A 2 -0.985 34.939 22.843 1.00 27.95 H new ATOM 0 HG3 GLN A 2 0.317 35.724 23.189 1.00 27.95 H new ATOM 0 HE21 GLN A 2 -2.722 34.992 24.244 1.00 39.08 H new ATOM 0 HE22 GLN A 2 -2.742 35.687 25.561 1.00 39.08 H new ATOM 34 N ILE A 3 0.669 34.447 20.353 1.00 18.13 N ANISOU 34 N ILE A 3 1957 1495 3437 175 -448 551 N ATOM 35 CA ILE A 3 0.704 33.075 19.866 1.00 18.99 C ANISOU 35 CA ILE A 3 2698 1633 2885 398 -309 504 C ATOM 36 C ILE A 3 0.845 32.139 21.061 1.00 16.59 C ANISOU 36 C ILE A 3 1661 1548 3094 353 -432 528 C ATOM 37 O ILE A 3 1.833 32.197 21.774 1.00 15.24 O ANISOU 37 O ILE A 3 1447 1676 2670 174 -106 286 O ATOM 38 CB ILE A 3 1.845 32.930 18.844 1.00 19.59 C ANISOU 38 CB ILE A 3 2646 1494 3303 -165 -87 386 C ATOM 39 CG1 ILE A 3 1.618 33.929 17.709 1.00 20.07 C ANISOU 39 CG1 ILE A 3 2479 1824 3324 -168 -25 546 C ATOM 40 CG2 ILE A 3 1.972 31.512 18.331 1.00 20.73 C ANISOU 40 CG2 ILE A 3 2905 1788 3185 402 -504 86 C ATOM 41 CD1 ILE A 3 2.742 33.891 16.708 1.00 25.80 C ANISOU 41 CD1 ILE A 3 1858 3352 4594 -537 269 1518 C ATOM 0 H ILE A 3 1.428 34.729 20.642 1.00 18.13 H new ATOM 0 HA ILE A 3 -0.117 32.838 19.406 1.00 18.99 H new ATOM 0 HB ILE A 3 2.688 33.128 19.280 1.00 19.59 H new ATOM 0 HG12 ILE A 3 0.780 33.730 17.264 1.00 20.07 H new ATOM 0 HG13 ILE A 3 1.539 34.824 18.075 1.00 20.07 H new ATOM 0 HG21 ILE A 3 2.700 31.463 17.692 1.00 20.73 H new ATOM 0 HG22 ILE A 3 2.153 30.914 19.073 1.00 20.73 H new ATOM 0 HG23 ILE A 3 1.144 31.249 17.899 1.00 20.73 H new ATOM 0 HD11 ILE A 3 2.569 34.534 16.003 1.00 25.80 H new ATOM 0 HD12 ILE A 3 3.577 34.113 17.150 1.00 25.80 H new ATOM 0 HD13 ILE A 3 2.805 33.002 16.326 1.00 25.80 H new ATOM 53 N THR A 4 -0.206 31.335 21.254 1.00 16.60 N ANISOU 53 N THR A 4 1594 1967 2747 156 -363 406 N ATOM 54 CA THR A 4 -0.154 30.302 22.254 1.00 16.50 C ANISOU 54 CA THR A 4 1445 2041 2782 410 -25 507 C ATOM 55 C THR A 4 0.620 29.117 21.684 1.00 14.34 C ANISOU 55 C THR A 4 1897 1566 1986 -114 -430 54 C ATOM 56 O THR A 4 0.913 29.036 20.494 1.00 15.83 O ANISOU 56 O THR A 4 2543 1583 1888 -131 -561 285 O ATOM 57 CB THR A 4 -1.525 29.850 22.754 1.00 17.56 C ANISOU 57 CB THR A 4 1658 2514 2501 -168 -303 237 C ATOM 58 OG1 THR A 4 -2.215 29.384 21.636 1.00 21.38 O ANISOU 58 OG1 THR A 4 2439 2920 2766 -439 -666 182 O ATOM 59 CG2 THR A 4 -2.245 31.071 23.345 1.00 25.31 C ANISOU 59 CG2 THR A 4 1676 4440 3501 453 219 -903 C ATOM 0 H THR A 4 -0.944 31.381 20.815 1.00 16.60 H new ATOM 0 HA THR A 4 0.293 30.673 23.031 1.00 16.50 H new ATOM 0 HB THR A 4 -1.464 29.160 23.433 1.00 17.56 H new ATOM 0 HG1 THR A 4 -1.960 28.605 21.453 1.00 21.38 H new ATOM 0 HG21 THR A 4 -3.120 30.805 23.669 1.00 25.31 H new ATOM 0 HG22 THR A 4 -1.724 31.430 24.080 1.00 25.31 H new ATOM 0 HG23 THR A 4 -2.347 31.750 22.660 1.00 25.31 H new ATOM 67 N LEU A 5 0.989 28.237 22.592 1.00 13.49 N ANISOU 67 N LEU A 5 1519 1806 1800 191 -225 105 N ATOM 68 CA LEU A 5 1.978 27.219 22.238 1.00 10.80 C ANISOU 68 CA LEU A 5 1391 1637 1077 -100 22 -30 C ATOM 69 C LEU A 5 1.446 25.823 22.317 1.00 10.55 C ANISOU 69 C LEU A 5 1144 1710 1156 -16 -141 253 C ATOM 70 O LEU A 5 2.162 24.834 22.369 1.00 11.23 O ANISOU 70 O LEU A 5 1115 1692 1458 43 -120 334 O ATOM 71 CB LEU A 5 3.255 27.392 23.071 1.00 10.61 C ANISOU 71 CB LEU A 5 1440 1343 1249 21 -100 93 C ATOM 72 CG LEU A 5 4.019 28.686 22.793 1.00 11.28 C ANISOU 72 CG LEU A 5 1487 1351 1450 -79 1 -79 C ATOM 73 CD1 LEU A 5 5.061 28.940 23.876 1.00 11.67 C ANISOU 73 CD1 LEU A 5 1494 1468 1470 -82 -37 33 C ATOM 74 CD2 LEU A 5 4.655 28.667 21.415 1.00 12.81 C ANISOU 74 CD2 LEU A 5 1476 1934 1457 -198 22 188 C ATOM 0 H LEU A 5 0.694 28.203 23.399 1.00 13.49 H new ATOM 0 HA LEU A 5 2.200 27.358 21.304 1.00 10.80 H new ATOM 0 HB2 LEU A 5 3.021 27.363 24.012 1.00 10.61 H new ATOM 0 HB3 LEU A 5 3.843 26.639 22.902 1.00 10.61 H new ATOM 0 HG LEU A 5 3.382 29.418 22.809 1.00 11.28 H new ATOM 0 HD11 LEU A 5 5.535 29.764 23.683 1.00 11.67 H new ATOM 0 HD12 LEU A 5 4.621 29.015 24.737 1.00 11.67 H new ATOM 0 HD13 LEU A 5 5.691 28.203 23.898 1.00 11.67 H new ATOM 0 HD21 LEU A 5 5.132 29.499 21.267 1.00 12.81 H new ATOM 0 HD22 LEU A 5 5.276 27.924 21.355 1.00 12.81 H new ATOM 0 HD23 LEU A 5 3.965 28.566 20.741 1.00 12.81 H new ATOM 86 N TRP A 6 0.106 25.769 22.263 1.00 11.35 N ANISOU 86 N TRP A 6 1101 1654 1559 90 87 222 N ATOM 87 CA TRP A 6 -0.545 24.470 22.209 1.00 12.37 C ANISOU 87 CA TRP A 6 1428 1834 1439 -239 -55 241 C ATOM 88 C TRP A 6 -0.182 23.703 20.955 1.00 12.92 C ANISOU 88 C TRP A 6 1706 1656 1546 -202 4 291 C ATOM 89 O TRP A 6 -0.182 22.472 20.966 1.00 17.20 O ANISOU 89 O TRP A 6 2946 1592 1996 -379 129 197 O ATOM 90 CB TRP A 6 -2.067 24.609 22.175 1.00 12.58 C ANISOU 90 CB TRP A 6 1406 1865 1507 -270 -108 475 C ATOM 91 CG TRP A 6 -2.590 25.264 23.397 1.00 12.97 C ANISOU 91 CG TRP A 6 1107 2163 1657 -261 -286 205 C ATOM 92 CD1 TRP A 6 -3.212 26.479 23.427 1.00 19.50 C ANISOU 92 CD1 TRP A 6 1981 3520 1906 1319 -216 344 C ATOM 93 CD2 TRP A 6 -2.555 24.778 24.750 1.00 14.25 C ANISOU 93 CD2 TRP A 6 1409 2515 1492 -29 -226 135 C ATOM 94 NE1 TRP A 6 -3.555 26.764 24.722 1.00 26.59 N ANISOU 94 NE1 TRP A 6 3806 4210 2088 2211 365 481 N ATOM 95 CE2 TRP A 6 -3.169 25.739 25.557 1.00 24.26 C ANISOU 95 CE2 TRP A 6 3393 3945 1880 1768 353 406 C ATOM 96 CE3 TRP A 6 -2.076 23.630 25.354 1.00 14.69 C ANISOU 96 CE3 TRP A 6 1715 2422 1447 -144 -247 164 C ATOM 97 CZ2 TRP A 6 -3.310 25.590 26.941 1.00 29.69 C ANISOU 97 CZ2 TRP A 6 4646 4783 1854 2947 479 374 C ATOM 98 CZ3 TRP A 6 -2.214 23.488 26.715 1.00 17.65 C ANISOU 98 CZ3 TRP A 6 2035 3197 1472 764 -92 303 C ATOM 99 CH2 TRP A 6 -2.820 24.453 27.499 1.00 24.64 C ANISOU 99 CH2 TRP A 6 3168 4523 1671 2172 24 292 C ATOM 0 H TRP A 6 -0.419 26.450 22.257 1.00 11.35 H new ATOM 0 HA TRP A 6 -0.244 24.003 23.004 1.00 12.37 H new ATOM 0 HB2 TRP A 6 -2.327 25.125 21.396 1.00 12.58 H new ATOM 0 HB3 TRP A 6 -2.469 23.731 22.081 1.00 12.58 H new ATOM 0 HD1 TRP A 6 -3.376 27.023 22.690 1.00 19.50 H new ATOM 0 HE1 TRP A 6 -3.955 27.481 24.978 1.00 26.59 H new ATOM 0 HE3 TRP A 6 -1.667 22.965 24.848 1.00 14.69 H new ATOM 0 HZ2 TRP A 6 -3.723 26.243 27.458 1.00 29.69 H new ATOM 0 HZ3 TRP A 6 -1.889 22.717 27.122 1.00 17.65 H new ATOM 0 HH2 TRP A 6 -2.893 24.322 28.417 1.00 24.64 H new ATOM 110 N LYS A 7 0.070 24.442 19.875 1.00 12.63 N ANISOU 110 N LYS A 7 1845 1572 1382 -525 -78 85 N ATOM 111 CA LYS A 7 0.454 23.959 18.578 1.00 13.96 C ANISOU 111 CA LYS A 7 1658 2291 1354 -749 -211 -198 C ATOM 112 C LYS A 7 1.789 24.592 18.216 1.00 12.39 C ANISOU 112 C LYS A 7 1645 1766 1297 -498 -236 24 C ATOM 113 O LYS A 7 2.217 25.574 18.815 1.00 11.90 O ANISOU 113 O LYS A 7 1505 1588 1430 -391 -298 115 O ATOM 114 CB LYS A 7 -0.598 24.247 17.499 1.00 20.45 C ANISOU 114 CB LYS A 7 1997 4074 1700 -886 -675 50 C ATOM 115 CG LYS A 7 -0.932 25.607 16.975 1.00 36.90 C ANISOU 115 CG LYS A 7 4961 5422 3636 1047 -1531 959 C ATOM 116 CD LYS A 7 -1.691 25.640 15.624 1.00 51.18 C ANISOU 116 CD LYS A 7 6971 7568 4906 385 -3153 1948 C ATOM 117 CE LYS A 7 -2.656 26.806 15.538 1.00 53.23 C ANISOU 117 CE LYS A 7 6401 8845 4980 869 -2629 3118 C ATOM 118 NZ LYS A 7 -3.704 26.803 14.474 1.00 52.33 N ANISOU 118 NZ LYS A 7 3199 12158 4526 2416 -786 -1009 N ATOM 0 H LYS A 7 0.013 25.300 19.896 1.00 12.63 H new ATOM 0 HA LYS A 7 0.532 22.993 18.617 1.00 13.96 H new ATOM 0 HB2 LYS A 7 -0.341 23.719 16.727 1.00 20.45 H new ATOM 0 HB3 LYS A 7 -1.431 23.877 17.832 1.00 20.45 H new ATOM 0 HG2 LYS A 7 -1.467 26.069 17.639 1.00 36.90 H new ATOM 0 HG3 LYS A 7 -0.108 26.109 16.876 1.00 36.90 H new ATOM 0 HD2 LYS A 7 -1.052 25.697 14.897 1.00 51.18 H new ATOM 0 HD3 LYS A 7 -2.179 24.809 15.508 1.00 51.18 H new ATOM 0 HE2 LYS A 7 -3.108 26.876 16.394 1.00 53.23 H new ATOM 0 HE3 LYS A 7 -2.130 27.614 15.428 1.00 53.23 H new ATOM 0 HZ1 LYS A 7 -4.196 27.541 14.540 1.00 52.33 H new ATOM 0 HZ2 LYS A 7 -3.315 26.777 13.674 1.00 52.33 H new ATOM 0 HZ3 LYS A 7 -4.226 26.089 14.573 1.00 52.33 H new ATOM 132 N ARG A 8 2.456 24.061 17.215 1.00 13.13 N ANISOU 132 N ARG A 8 1765 1564 1659 -421 -6 21 N ATOM 133 CA ARG A 8 3.688 24.663 16.739 1.00 11.34 C ANISOU 133 CA ARG A 8 1513 1602 1193 -419 -388 118 C ATOM 134 C ARG A 8 3.402 26.068 16.245 1.00 11.90 C ANISOU 134 C ARG A 8 1634 1681 1207 -278 -325 180 C ATOM 135 O ARG A 8 2.423 26.300 15.540 1.00 13.22 O ANISOU 135 O ARG A 8 1523 1855 1644 -248 -358 356 O ATOM 136 CB ARG A 8 4.251 23.832 15.602 1.00 11.87 C ANISOU 136 CB ARG A 8 1632 1589 1288 -497 -235 88 C ATOM 137 CG ARG A 8 4.689 22.440 16.052 1.00 13.94 C ANISOU 137 CG ARG A 8 2237 1683 1378 -261 0 153 C ATOM 138 CD ARG A 8 5.218 21.586 14.915 1.00 17.74 C ANISOU 138 CD ARG A 8 2778 2034 1928 99 212 -69 C ATOM 139 NE ARG A 8 5.443 20.224 15.449 1.00 18.82 N ANISOU 139 NE ARG A 8 3059 2010 2081 238 -632 -259 N ATOM 140 CZ ARG A 8 5.090 19.094 14.846 1.00 21.51 C ANISOU 140 CZ ARG A 8 4072 2033 2066 -182 -926 -60 C ATOM 141 NH1 ARG A 8 4.490 19.003 13.651 1.00 23.18 N ANISOU 141 NH1 ARG A 8 4038 2391 2377 -203 -1287 38 N ATOM 142 NH2 ARG A 8 5.367 17.993 15.488 1.00 20.72 N ANISOU 142 NH2 ARG A 8 3641 2121 2111 -364 -807 136 N ATOM 0 H ARG A 8 2.215 23.351 16.794 1.00 13.13 H new ATOM 0 HA ARG A 8 4.333 24.698 17.463 1.00 11.34 H new ATOM 0 HB2 ARG A 8 3.581 23.747 14.906 1.00 11.87 H new ATOM 0 HB3 ARG A 8 5.009 24.295 15.212 1.00 11.87 H new ATOM 0 HG2 ARG A 8 5.376 22.527 16.731 1.00 13.94 H new ATOM 0 HG3 ARG A 8 3.937 21.988 16.466 1.00 13.94 H new ATOM 0 HD2 ARG A 8 4.584 21.564 14.181 1.00 17.74 H new ATOM 0 HD3 ARG A 8 6.044 21.956 14.566 1.00 17.74 H new ATOM 0 HE ARG A 8 5.834 20.159 16.212 1.00 18.82 H new ATOM 0 HH11 ARG A 8 4.302 19.716 13.209 1.00 23.18 H new ATOM 0 HH12 ARG A 8 4.293 18.231 13.327 1.00 23.18 H new ATOM 0 HH21 ARG A 8 5.756 18.028 16.254 1.00 20.72 H new ATOM 0 HH22 ARG A 8 5.161 17.232 15.145 1.00 20.72 H new ATOM 156 N PRO A 9 4.252 27.018 16.615 1.00 10.39 N ANISOU 156 N PRO A 9 1438 1528 982 -180 -123 279 N ATOM 157 CA PRO A 9 4.065 28.392 16.158 1.00 11.08 C ANISOU 157 CA PRO A 9 1551 1487 1170 156 16 193 C ATOM 158 C PRO A 9 4.571 28.601 14.737 1.00 11.17 C ANISOU 158 C PRO A 9 1631 1428 1184 -95 -133 360 C ATOM 159 O PRO A 9 5.619 29.195 14.470 1.00 12.46 O ANISOU 159 O PRO A 9 1585 1802 1347 -188 -49 232 O ATOM 160 CB PRO A 9 4.879 29.201 17.188 1.00 13.45 C ANISOU 160 CB PRO A 9 2184 1572 1356 -113 -117 113 C ATOM 161 CG PRO A 9 5.946 28.256 17.588 1.00 12.33 C ANISOU 161 CG PRO A 9 1689 1684 1312 -476 -218 343 C ATOM 162 CD PRO A 9 5.322 26.879 17.622 1.00 11.00 C ANISOU 162 CD PRO A 9 1595 1663 924 -364 -204 332 C ATOM 0 HA PRO A 9 3.133 28.655 16.113 1.00 11.08 H new ATOM 0 HB2 PRO A 9 5.244 30.011 16.800 1.00 13.45 H new ATOM 0 HB3 PRO A 9 4.335 29.469 17.945 1.00 13.45 H new ATOM 0 HG2 PRO A 9 6.683 28.284 16.959 1.00 12.33 H new ATOM 0 HG3 PRO A 9 6.306 28.492 18.457 1.00 12.33 H new ATOM 0 HD2 PRO A 9 5.957 26.184 17.387 1.00 11.00 H new ATOM 0 HD3 PRO A 9 4.972 26.658 18.499 1.00 11.00 H new ATOM 170 N LEU A 10 3.803 28.093 13.795 1.00 12.68 N ANISOU 170 N LEU A 10 1557 2096 1164 -342 -73 338 N ATOM 171 CA LEU A 10 4.067 28.185 12.379 1.00 13.07 C ANISOU 171 CA LEU A 10 1522 2294 1150 -58 -143 175 C ATOM 172 C LEU A 10 3.394 29.407 11.807 1.00 13.79 C ANISOU 172 C LEU A 10 1367 2838 1034 292 5 326 C ATOM 173 O LEU A 10 2.243 29.625 12.115 1.00 18.55 O ANISOU 173 O LEU A 10 1284 3862 1900 321 37 999 O ATOM 174 CB LEU A 10 3.535 26.925 11.694 1.00 15.56 C ANISOU 174 CB LEU A 10 1953 2759 1200 -615 -648 268 C ATOM 175 CG LEU A 10 4.277 25.640 12.092 1.00 16.56 C ANISOU 175 CG LEU A 10 2514 2311 1466 -442 -541 -284 C ATOM 176 CD1 LEU A 10 3.526 24.389 11.683 1.00 23.62 C ANISOU 176 CD1 LEU A 10 2930 2786 3257 -1270 -173 -277 C ATOM 177 CD2 LEU A 10 5.646 25.646 11.474 1.00 18.24 C ANISOU 177 CD2 LEU A 10 2329 2030 2573 -580 -546 -132 C ATOM 0 H LEU A 10 3.079 27.665 13.973 1.00 12.68 H new ATOM 0 HA LEU A 10 5.022 28.260 12.229 1.00 13.07 H new ATOM 0 HB2 LEU A 10 2.594 26.824 11.908 1.00 15.56 H new ATOM 0 HB3 LEU A 10 3.597 27.039 10.733 1.00 15.56 H new ATOM 0 HG LEU A 10 4.346 25.625 13.059 1.00 16.56 H new ATOM 0 HD11 LEU A 10 4.030 23.606 11.954 1.00 23.62 H new ATOM 0 HD12 LEU A 10 2.657 24.378 12.113 1.00 23.62 H new ATOM 0 HD13 LEU A 10 3.410 24.381 10.720 1.00 23.62 H new ATOM 0 HD21 LEU A 10 6.117 24.836 11.723 1.00 18.24 H new ATOM 0 HD22 LEU A 10 5.565 25.688 10.508 1.00 18.24 H new ATOM 0 HD23 LEU A 10 6.141 26.418 11.791 1.00 18.24 H new ATOM 189 N VAL A 11 4.136 30.136 11.006 1.00 12.92 N ANISOU 189 N VAL A 11 1414 2345 1148 293 19 201 N ATOM 190 CA VAL A 11 3.607 31.313 10.368 1.00 13.06 C ANISOU 190 CA VAL A 11 1373 2271 1320 341 43 67 C ATOM 191 C VAL A 11 4.032 31.306 8.900 1.00 12.51 C ANISOU 191 C VAL A 11 1373 2061 1320 109 25 192 C ATOM 192 O VAL A 11 4.924 30.578 8.502 1.00 13.25 O ANISOU 192 O VAL A 11 1713 2081 1238 309 88 46 O ATOM 193 CB VAL A 11 4.083 32.581 11.071 1.00 15.53 C ANISOU 193 CB VAL A 11 2077 2335 1490 249 -49 7 C ATOM 194 CG1 VAL A 11 3.709 32.601 12.574 1.00 16.82 C ANISOU 194 CG1 VAL A 11 1997 2901 1493 547 -38 -241 C ATOM 195 CG2 VAL A 11 5.574 32.752 10.937 1.00 15.92 C ANISOU 195 CG2 VAL A 11 2198 2260 1593 -286 29 116 C ATOM 0 H VAL A 11 4.957 29.964 10.817 1.00 12.92 H new ATOM 0 HA VAL A 11 2.639 31.304 10.425 1.00 13.06 H new ATOM 0 HB VAL A 11 3.628 33.316 10.632 1.00 15.53 H new ATOM 0 HG11 VAL A 11 4.031 33.423 12.977 1.00 16.82 H new ATOM 0 HG12 VAL A 11 2.745 32.551 12.668 1.00 16.82 H new ATOM 0 HG13 VAL A 11 4.117 31.842 13.019 1.00 16.82 H new ATOM 0 HG21 VAL A 11 5.849 33.564 11.392 1.00 15.92 H new ATOM 0 HG22 VAL A 11 6.024 31.991 11.335 1.00 15.92 H new ATOM 0 HG23 VAL A 11 5.810 32.812 9.998 1.00 15.92 H new ATOM 205 N THR A 12 3.362 32.149 8.138 1.00 13.08 N ANISOU 205 N THR A 12 1287 2277 1405 170 -129 128 N ATOM 206 CA THR A 12 3.744 32.359 6.762 1.00 13.09 C ANISOU 206 CA THR A 12 1517 2159 1298 376 -199 91 C ATOM 207 C THR A 12 4.834 33.420 6.734 1.00 12.31 C ANISOU 207 C THR A 12 1761 1852 1064 419 -72 111 C ATOM 208 O THR A 12 4.750 34.473 7.376 1.00 14.97 O ANISOU 208 O THR A 12 2254 1814 1619 614 88 -58 O ATOM 209 CB THR A 12 2.538 32.806 5.954 1.00 14.56 C ANISOU 209 CB THR A 12 1477 2442 1614 573 -1 535 C ATOM 210 OG1 THR A 12 1.534 31.779 6.044 1.00 19.10 O ANISOU 210 OG1 THR A 12 1811 3795 1653 -351 -344 479 O ATOM 211 CG2 THR A 12 2.944 32.974 4.500 1.00 17.76 C ANISOU 211 CG2 THR A 12 2383 2960 1403 -89 -296 548 C ATOM 0 H THR A 12 2.684 32.608 8.400 1.00 13.08 H new ATOM 0 HA THR A 12 4.077 31.536 6.370 1.00 13.09 H new ATOM 0 HB THR A 12 2.197 33.648 6.294 1.00 14.56 H new ATOM 0 HG1 THR A 12 0.857 32.009 5.603 1.00 19.10 H new ATOM 0 HG21 THR A 12 2.176 33.259 3.980 1.00 17.76 H new ATOM 0 HG22 THR A 12 3.645 33.642 4.435 1.00 17.76 H new ATOM 0 HG23 THR A 12 3.271 32.128 4.155 1.00 17.76 H new ATOM 219 N ILE A 13 5.869 33.138 5.968 1.00 12.62 N ANISOU 219 N ILE A 13 1812 1936 1048 285 -12 16 N ATOM 220 CA ILE A 13 6.908 34.108 5.707 1.00 12.71 C ANISOU 220 CA ILE A 13 1902 1790 1138 318 167 -111 C ATOM 221 C ILE A 13 6.985 34.335 4.202 1.00 11.83 C ANISOU 221 C ILE A 13 1894 1457 1144 315 99 -143 C ATOM 222 O ILE A 13 6.505 33.547 3.405 1.00 12.89 O ANISOU 222 O ILE A 13 2032 1570 1297 216 -126 -104 O ATOM 223 CB ILE A 13 8.260 33.619 6.241 1.00 12.42 C ANISOU 223 CB ILE A 13 1892 1691 1135 212 87 6 C ATOM 224 CG1 ILE A 13 8.795 32.382 5.493 1.00 12.64 C ANISOU 224 CG1 ILE A 13 1576 1955 1271 239 270 -74 C ATOM 225 CG2 ILE A 13 8.148 33.380 7.736 1.00 13.23 C ANISOU 225 CG2 ILE A 13 2124 1803 1099 -14 -13 -149 C ATOM 226 CD1 ILE A 13 10.222 32.033 5.799 1.00 13.18 C ANISOU 226 CD1 ILE A 13 1417 2172 1417 20 224 -355 C ATOM 0 H ILE A 13 5.989 32.378 5.584 1.00 12.62 H new ATOM 0 HA ILE A 13 6.697 34.939 6.160 1.00 12.71 H new ATOM 0 HB ILE A 13 8.918 34.313 6.077 1.00 12.42 H new ATOM 0 HG12 ILE A 13 8.235 31.620 5.710 1.00 12.64 H new ATOM 0 HG13 ILE A 13 8.709 32.534 4.539 1.00 12.64 H new ATOM 0 HG21 ILE A 13 9.001 33.070 8.079 1.00 13.23 H new ATOM 0 HG22 ILE A 13 7.903 34.208 8.179 1.00 13.23 H new ATOM 0 HG23 ILE A 13 7.469 32.709 7.907 1.00 13.23 H new ATOM 0 HD11 ILE A 13 10.479 31.248 5.291 1.00 13.18 H new ATOM 0 HD12 ILE A 13 10.796 32.777 5.557 1.00 13.18 H new ATOM 0 HD13 ILE A 13 10.314 31.849 6.747 1.00 13.18 H new ATOM 238 N LYS A 14 7.591 35.449 3.847 1.00 12.73 N ANISOU 238 N LYS A 14 2162 1367 1307 317 -14 -10 N ATOM 239 CA LYS A 14 7.921 35.723 2.454 1.00 12.19 C ANISOU 239 CA LYS A 14 2068 1302 1260 376 79 -71 C ATOM 240 C LYS A 14 9.405 36.013 2.415 1.00 13.10 C ANISOU 240 C LYS A 14 2093 1927 956 334 -157 85 C ATOM 241 O LYS A 14 9.862 36.904 3.131 1.00 12.94 O ANISOU 241 O LYS A 14 2086 1488 1344 219 117 165 O ATOM 242 CB LYS A 14 7.119 36.877 1.851 1.00 17.06 C ANISOU 242 CB LYS A 14 2528 2410 1543 1045 -66 313 C ATOM 243 CG LYS A 14 7.212 37.000 0.340 1.00 20.87 C ANISOU 243 CG LYS A 14 2865 3329 1735 824 471 954 C ATOM 244 CD LYS A 14 6.393 38.196 -0.142 1.00 32.65 C ANISOU 244 CD LYS A 14 4517 4959 2932 1941 544 2420 C ATOM 245 CE LYS A 14 6.109 38.320 -1.595 1.00 44.19 C ANISOU 245 CE LYS A 14 6373 7102 3316 2224 -450 2556 C ATOM 246 NZ LYS A 14 4.769 38.938 -1.887 1.00 63.02 N ANISOU 246 NZ LYS A 14 8826 8557 6563 4314 -2108 3703 N ATOM 0 H LYS A 14 7.824 36.067 4.397 1.00 12.73 H new ATOM 0 HA LYS A 14 7.688 34.954 1.911 1.00 12.19 H new ATOM 0 HB2 LYS A 14 6.187 36.769 2.097 1.00 17.06 H new ATOM 0 HB3 LYS A 14 7.423 37.708 2.249 1.00 17.06 H new ATOM 0 HG2 LYS A 14 8.139 37.105 0.074 1.00 20.87 H new ATOM 0 HG3 LYS A 14 6.887 36.187 -0.078 1.00 20.87 H new ATOM 0 HD2 LYS A 14 5.543 38.179 0.325 1.00 32.65 H new ATOM 0 HD3 LYS A 14 6.854 39.002 0.138 1.00 32.65 H new ATOM 0 HE2 LYS A 14 6.803 38.856 -2.009 1.00 44.19 H new ATOM 0 HE3 LYS A 14 6.149 37.441 -2.002 1.00 44.19 H new ATOM 0 HZ1 LYS A 14 4.651 38.988 -2.768 1.00 63.02 H new ATOM 0 HZ2 LYS A 14 4.126 38.436 -1.530 1.00 63.02 H new ATOM 0 HZ3 LYS A 14 4.736 39.755 -1.537 1.00 63.02 H new ATOM 260 N ILE A 15 10.121 35.264 1.588 1.00 12.29 N ANISOU 260 N ILE A 15 1766 1700 1204 59 -63 95 N ATOM 261 CA ILE A 15 11.568 35.413 1.466 1.00 12.69 C ANISOU 261 CA ILE A 15 1745 1774 1303 31 -295 43 C ATOM 262 C ILE A 15 11.914 35.182 0.016 1.00 12.94 C ANISOU 262 C ILE A 15 1730 1655 1532 129 40 -35 C ATOM 263 O ILE A 15 11.431 34.235 -0.560 1.00 12.65 O ANISOU 263 O ILE A 15 1801 1673 1334 205 -36 -62 O ATOM 264 CB ILE A 15 12.295 34.434 2.389 1.00 13.47 C ANISOU 264 CB ILE A 15 1886 1690 1541 623 261 65 C ATOM 265 CG1 ILE A 15 13.795 34.528 2.211 1.00 14.42 C ANISOU 265 CG1 ILE A 15 1828 1848 1805 564 79 176 C ATOM 266 CG2 ILE A 15 11.839 33.000 2.230 1.00 15.04 C ANISOU 266 CG2 ILE A 15 2301 1903 1511 255 -170 235 C ATOM 267 CD1 ILE A 15 14.605 33.774 3.200 1.00 15.79 C ANISOU 267 CD1 ILE A 15 2133 2197 1670 403 -190 276 C ATOM 0 H ILE A 15 9.785 34.656 1.082 1.00 12.29 H new ATOM 0 HA ILE A 15 11.852 36.300 1.738 1.00 12.69 H new ATOM 0 HB ILE A 15 12.061 34.702 3.291 1.00 13.47 H new ATOM 0 HG12 ILE A 15 14.020 34.210 1.323 1.00 14.42 H new ATOM 0 HG13 ILE A 15 14.052 35.463 2.251 1.00 14.42 H new ATOM 0 HG21 ILE A 15 12.336 32.433 2.840 1.00 15.04 H new ATOM 0 HG22 ILE A 15 10.892 32.937 2.430 1.00 15.04 H new ATOM 0 HG23 ILE A 15 11.996 32.709 1.318 1.00 15.04 H new ATOM 0 HD11 ILE A 15 15.548 33.894 3.006 1.00 15.79 H new ATOM 0 HD12 ILE A 15 14.415 34.103 4.092 1.00 15.79 H new ATOM 0 HD13 ILE A 15 14.383 32.831 3.149 1.00 15.79 H new ATOM 279 N GLY A 16 12.740 36.043 -0.544 1.00 14.46 N ANISOU 279 N GLY A 16 1925 1813 1758 52 290 -51 N ATOM 280 CA GLY A 16 13.139 35.781 -1.902 1.00 17.90 C ANISOU 280 CA GLY A 16 2778 2320 1704 64 469 12 C ATOM 281 C GLY A 16 11.987 35.730 -2.855 1.00 18.65 C ANISOU 281 C GLY A 16 3048 2212 1825 -305 235 -238 C ATOM 282 O GLY A 16 12.041 35.035 -3.858 1.00 21.61 O ANISOU 282 O GLY A 16 3957 2501 1751 -76 284 -216 O ATOM 0 H GLY A 16 13.066 36.749 -0.177 1.00 14.46 H new ATOM 0 HA2 GLY A 16 13.759 36.470 -2.189 1.00 17.90 H new ATOM 0 HA3 GLY A 16 13.617 34.937 -1.936 1.00 17.90 H new ATOM 286 N GLY A 17 10.935 36.491 -2.574 1.00 16.77 N ANISOU 286 N GLY A 17 3157 2210 1004 -16 86 447 N ATOM 287 CA GLY A 17 9.764 36.490 -3.431 1.00 20.75 C ANISOU 287 CA GLY A 17 4020 2164 1700 132 -730 617 C ATOM 288 C GLY A 17 8.929 35.254 -3.221 1.00 19.25 C ANISOU 288 C GLY A 17 3673 2086 1556 155 -1134 420 C ATOM 289 O GLY A 17 7.957 35.135 -3.973 1.00 25.76 O ANISOU 289 O GLY A 17 4489 2451 2846 394 -2249 362 O ATOM 0 H GLY A 17 10.882 37.013 -1.893 1.00 16.77 H new ATOM 0 HA2 GLY A 17 9.229 37.278 -3.250 1.00 20.75 H new ATOM 0 HA3 GLY A 17 10.041 36.541 -4.359 1.00 20.75 H new ATOM 293 N GLN A 18 9.235 34.360 -2.295 1.00 15.44 N ANISOU 293 N GLN A 18 2652 2179 1035 65 -488 344 N ATOM 294 CA GLN A 18 8.533 33.106 -2.117 1.00 14.82 C ANISOU 294 CA GLN A 18 2519 1972 1141 271 0 62 C ATOM 295 C GLN A 18 7.832 33.034 -0.792 1.00 14.45 C ANISOU 295 C GLN A 18 2206 2200 1083 390 -128 74 C ATOM 296 O GLN A 18 8.397 33.387 0.225 1.00 15.74 O ANISOU 296 O GLN A 18 2323 2456 1201 387 -135 -127 O ATOM 297 CB GLN A 18 9.575 31.962 -2.135 1.00 14.21 C ANISOU 297 CB GLN A 18 2053 2019 1326 13 -51 -252 C ATOM 298 CG GLN A 18 10.199 31.783 -3.497 1.00 15.17 C ANISOU 298 CG GLN A 18 2279 2046 1438 16 170 -3 C ATOM 299 CD GLN A 18 11.270 30.712 -3.554 1.00 15.03 C ANISOU 299 CD GLN A 18 2135 2281 1294 56 64 -217 C ATOM 300 OE1 GLN A 18 12.356 31.008 -4.071 1.00 20.20 O ANISOU 300 OE1 GLN A 18 2059 3115 2502 -107 254 -269 O ATOM 301 NE2 GLN A 18 10.959 29.526 -3.073 1.00 16.62 N ANISOU 301 NE2 GLN A 18 2712 2018 1583 173 -40 -275 N ATOM 0 H GLN A 18 9.878 34.472 -1.735 1.00 15.44 H new ATOM 0 HA GLN A 18 7.877 33.031 -2.828 1.00 14.82 H new ATOM 0 HB2 GLN A 18 10.270 32.149 -1.484 1.00 14.21 H new ATOM 0 HB3 GLN A 18 9.149 31.134 -1.865 1.00 14.21 H new ATOM 0 HG2 GLN A 18 9.502 31.563 -4.135 1.00 15.17 H new ATOM 0 HG3 GLN A 18 10.585 32.627 -3.778 1.00 15.17 H new ATOM 0 HE21 GLN A 18 10.183 29.392 -2.727 1.00 16.62 H new ATOM 0 HE22 GLN A 18 11.532 28.885 -3.105 1.00 16.62 H new ATOM 310 N LEU A 19 6.607 32.570 -0.766 1.00 14.81 N ANISOU 310 N LEU A 19 2263 2136 1228 338 -105 65 N ATOM 311 CA LEU A 19 5.874 32.299 0.463 1.00 13.72 C ANISOU 311 CA LEU A 19 1979 2004 1232 606 -57 -111 C ATOM 312 C LEU A 19 6.200 30.904 0.975 1.00 12.40 C ANISOU 312 C LEU A 19 1639 1884 1189 303 -50 -140 C ATOM 313 O LEU A 19 6.194 29.905 0.237 1.00 15.71 O ANISOU 313 O LEU A 19 2892 1896 1181 247 5 -146 O ATOM 314 CB LEU A 19 4.372 32.380 0.206 1.00 16.24 C ANISOU 314 CB LEU A 19 2033 2710 1426 914 -258 -300 C ATOM 315 CG LEU A 19 3.829 33.758 -0.179 1.00 19.09 C ANISOU 315 CG LEU A 19 2204 2872 2177 877 -581 45 C ATOM 316 CD1 LEU A 19 2.434 33.571 -0.733 1.00 29.72 C ANISOU 316 CD1 LEU A 19 2732 5323 3236 1326 -1700 64 C ATOM 317 CD2 LEU A 19 3.830 34.669 1.028 1.00 22.57 C ANISOU 317 CD2 LEU A 19 2986 2469 3118 954 -458 -400 C ATOM 0 H LEU A 19 6.158 32.396 -1.478 1.00 14.81 H new ATOM 0 HA LEU A 19 6.134 32.961 1.123 1.00 13.72 H new ATOM 0 HB2 LEU A 19 4.149 31.755 -0.502 1.00 16.24 H new ATOM 0 HB3 LEU A 19 3.909 32.081 1.004 1.00 16.24 H new ATOM 0 HG LEU A 19 4.388 34.174 -0.853 1.00 19.09 H new ATOM 0 HD11 LEU A 19 2.067 34.433 -0.985 1.00 29.72 H new ATOM 0 HD12 LEU A 19 2.470 32.995 -1.513 1.00 29.72 H new ATOM 0 HD13 LEU A 19 1.869 33.165 -0.057 1.00 29.72 H new ATOM 0 HD21 LEU A 19 3.485 35.540 0.777 1.00 22.57 H new ATOM 0 HD22 LEU A 19 3.270 34.288 1.722 1.00 22.57 H new ATOM 0 HD23 LEU A 19 4.736 34.765 1.361 1.00 22.57 H new ATOM 329 N LYS A 20 6.501 30.819 2.254 1.00 13.20 N ANISOU 329 N LYS A 20 2165 1672 1177 131 -26 -76 N ATOM 330 CA LYS A 20 6.849 29.612 2.919 1.00 12.45 C ANISOU 330 CA LYS A 20 1874 1546 1312 15 -47 -43 C ATOM 331 C LYS A 20 6.217 29.628 4.296 1.00 12.16 C ANISOU 331 C LYS A 20 1586 1765 1269 -75 -208 -11 C ATOM 332 O LYS A 20 5.840 30.650 4.831 1.00 15.90 O ANISOU 332 O LYS A 20 2765 1683 1594 -241 469 -115 O ATOM 333 CB LYS A 20 8.378 29.416 3.087 1.00 12.76 C ANISOU 333 CB LYS A 20 1911 1948 989 13 -54 -98 C ATOM 334 CG LYS A 20 9.091 29.290 1.735 1.00 12.91 C ANISOU 334 CG LYS A 20 1962 1952 992 169 -64 -33 C ATOM 335 CD LYS A 20 10.568 29.137 1.884 1.00 13.47 C ANISOU 335 CD LYS A 20 1949 2010 1157 180 8 -33 C ATOM 336 CE LYS A 20 11.262 28.775 0.594 1.00 13.95 C ANISOU 336 CE LYS A 20 1862 2424 1015 -224 -11 -86 C ATOM 337 NZ LYS A 20 10.863 27.477 0.009 1.00 15.87 N ANISOU 337 NZ LYS A 20 2388 2388 1254 101 -48 -333 N ATOM 0 H LYS A 20 6.505 31.504 2.774 1.00 13.20 H new ATOM 0 HA LYS A 20 6.526 28.880 2.371 1.00 12.45 H new ATOM 0 HB2 LYS A 20 8.748 30.166 3.578 1.00 12.76 H new ATOM 0 HB3 LYS A 20 8.545 28.620 3.616 1.00 12.76 H new ATOM 0 HG2 LYS A 20 8.736 28.526 1.255 1.00 12.91 H new ATOM 0 HG3 LYS A 20 8.902 30.075 1.198 1.00 12.91 H new ATOM 0 HD2 LYS A 20 10.940 29.966 2.223 1.00 13.47 H new ATOM 0 HD3 LYS A 20 10.751 28.452 2.546 1.00 13.47 H new ATOM 0 HE2 LYS A 20 11.090 29.474 -0.057 1.00 13.95 H new ATOM 0 HE3 LYS A 20 12.219 28.763 0.750 1.00 13.95 H new ATOM 0 HZ1 LYS A 20 11.528 27.159 -0.490 1.00 15.87 H new ATOM 0 HZ2 LYS A 20 10.681 26.900 0.662 1.00 15.87 H new ATOM 0 HZ3 LYS A 20 10.140 27.589 -0.497 1.00 15.87 H new ATOM 351 N GLU A 21 6.106 28.439 4.850 1.00 13.00 N ANISOU 351 N GLU A 21 1999 1797 1142 143 -158 21 N ATOM 352 CA GLU A 21 5.718 28.273 6.241 1.00 13.46 C ANISOU 352 CA GLU A 21 1735 2410 970 -22 -168 -43 C ATOM 353 C GLU A 21 6.971 28.109 7.075 1.00 12.53 C ANISOU 353 C GLU A 21 1807 1841 1112 92 -156 -45 C ATOM 354 O GLU A 21 7.875 27.413 6.674 1.00 13.33 O ANISOU 354 O GLU A 21 1892 1864 1307 127 -197 -274 O ATOM 355 CB GLU A 21 4.799 27.057 6.395 1.00 16.39 C ANISOU 355 CB GLU A 21 1738 2847 1643 -208 -202 333 C ATOM 356 CG GLU A 21 4.389 26.586 7.764 1.00 21.84 C ANISOU 356 CG GLU A 21 2156 3972 2172 -294 76 1057 C ATOM 357 CD GLU A 21 3.572 25.313 7.844 1.00 26.22 C ANISOU 357 CD GLU A 21 2343 5185 2432 -1375 131 907 C ATOM 358 OE1 GLU A 21 4.122 24.177 7.853 1.00 34.55 O ANISOU 358 OE1 GLU A 21 4730 4197 4199 -1764 127 -139 O ATOM 359 OE2 GLU A 21 2.342 25.463 7.946 1.00 40.90 O ANISOU 359 OE2 GLU A 21 2146 9096 4297 -1784 -104 -442 O ATOM 0 H GLU A 21 6.253 27.701 4.433 1.00 13.00 H new ATOM 0 HA GLU A 21 5.228 29.054 6.544 1.00 13.46 H new ATOM 0 HB2 GLU A 21 3.986 27.247 5.901 1.00 16.39 H new ATOM 0 HB3 GLU A 21 5.233 26.311 5.952 1.00 16.39 H new ATOM 0 HG2 GLU A 21 5.193 26.460 8.292 1.00 21.84 H new ATOM 0 HG3 GLU A 21 3.881 27.296 8.186 1.00 21.84 H new ATOM 366 N ALA A 22 7.033 28.771 8.240 1.00 11.83 N ANISOU 366 N ALA A 22 1648 1793 1055 -48 -132 -11 N ATOM 367 CA ALA A 22 8.218 28.628 9.072 1.00 11.26 C ANISOU 367 CA ALA A 22 1542 1729 1008 -117 -17 38 C ATOM 368 C ALA A 22 7.808 28.656 10.539 1.00 10.62 C ANISOU 368 C ALA A 22 1488 1532 1015 15 -26 55 C ATOM 369 O ALA A 22 6.787 29.199 10.924 1.00 12.40 O ANISOU 369 O ALA A 22 1706 1945 1061 375 59 177 O ATOM 370 CB ALA A 22 9.259 29.699 8.766 1.00 12.45 C ANISOU 370 CB ALA A 22 1448 1810 1472 -20 94 258 C ATOM 0 H ALA A 22 6.420 29.288 8.551 1.00 11.83 H new ATOM 0 HA ALA A 22 8.635 27.775 8.874 1.00 11.26 H new ATOM 0 HB1 ALA A 22 10.032 29.572 9.338 1.00 12.45 H new ATOM 0 HB2 ALA A 22 9.530 29.631 7.837 1.00 12.45 H new ATOM 0 HB3 ALA A 22 8.878 30.576 8.928 1.00 12.45 H new ATOM 376 N LEU A 23 8.667 28.062 11.319 1.00 9.83 N ANISOU 376 N LEU A 23 1526 1274 933 76 43 -111 N ATOM 377 CA LEU A 23 8.508 27.896 12.753 1.00 10.31 C ANISOU 377 CA LEU A 23 1539 1349 1028 -134 -9 151 C ATOM 378 C LEU A 23 9.205 29.014 13.533 1.00 10.28 C ANISOU 378 C LEU A 23 1480 1587 837 -38 -69 19 C ATOM 379 O LEU A 23 10.399 29.239 13.366 1.00 11.57 O ANISOU 379 O LEU A 23 1578 1591 1227 -300 166 -47 O ATOM 380 CB LEU A 23 9.148 26.547 13.081 1.00 11.24 C ANISOU 380 CB LEU A 23 1563 1500 1207 111 81 152 C ATOM 381 CG LEU A 23 9.033 26.123 14.540 1.00 11.73 C ANISOU 381 CG LEU A 23 1743 1566 1147 306 -49 118 C ATOM 382 CD1 LEU A 23 7.592 25.864 14.883 1.00 13.47 C ANISOU 382 CD1 LEU A 23 2066 1642 1409 133 469 153 C ATOM 383 CD2 LEU A 23 9.871 24.878 14.692 1.00 14.08 C ANISOU 383 CD2 LEU A 23 2393 1811 1147 679 -332 -6 C ATOM 0 H LEU A 23 9.400 27.723 11.022 1.00 9.83 H new ATOM 0 HA LEU A 23 7.572 27.932 13.004 1.00 10.31 H new ATOM 0 HB2 LEU A 23 8.738 25.865 12.526 1.00 11.24 H new ATOM 0 HB3 LEU A 23 10.087 26.582 12.840 1.00 11.24 H new ATOM 0 HG LEU A 23 9.347 26.814 15.144 1.00 11.73 H new ATOM 0 HD11 LEU A 23 7.524 25.594 15.812 1.00 13.47 H new ATOM 0 HD12 LEU A 23 7.075 26.673 14.743 1.00 13.47 H new ATOM 0 HD13 LEU A 23 7.246 25.157 14.316 1.00 13.47 H new ATOM 0 HD21 LEU A 23 9.828 24.569 15.611 1.00 14.08 H new ATOM 0 HD22 LEU A 23 9.533 24.186 14.103 1.00 14.08 H new ATOM 0 HD23 LEU A 23 10.792 25.077 14.461 1.00 14.08 H new ATOM 395 N LEU A 24 8.457 29.714 14.362 1.00 10.20 N ANISOU 395 N LEU A 24 1491 1546 839 34 -87 88 N ATOM 396 CA LEU A 24 9.042 30.743 15.223 1.00 10.25 C ANISOU 396 CA LEU A 24 1364 1689 841 -131 99 -1 C ATOM 397 C LEU A 24 9.710 30.064 16.400 1.00 9.81 C ANISOU 397 C LEU A 24 1330 1578 819 -58 58 -56 C ATOM 398 O LEU A 24 9.048 29.449 17.238 1.00 11.69 O ANISOU 398 O LEU A 24 1211 1973 1259 -208 36 315 O ATOM 399 CB LEU A 24 7.981 31.717 15.717 1.00 12.39 C ANISOU 399 CB LEU A 24 1571 1633 1502 101 -256 -192 C ATOM 400 CG LEU A 24 7.146 32.354 14.613 1.00 12.53 C ANISOU 400 CG LEU A 24 1736 1499 1526 -110 -263 49 C ATOM 401 CD1 LEU A 24 6.116 33.237 15.307 1.00 15.71 C ANISOU 401 CD1 LEU A 24 2357 1470 2141 491 -482 -84 C ATOM 402 CD2 LEU A 24 7.999 33.099 13.629 1.00 17.44 C ANISOU 402 CD2 LEU A 24 1627 2001 3000 -292 -362 1069 C ATOM 0 H LEU A 24 7.607 29.615 14.448 1.00 10.20 H new ATOM 0 HA LEU A 24 9.692 31.251 14.713 1.00 10.25 H new ATOM 0 HB2 LEU A 24 7.388 31.250 16.327 1.00 12.39 H new ATOM 0 HB3 LEU A 24 8.415 32.420 16.225 1.00 12.39 H new ATOM 0 HG LEU A 24 6.696 31.682 14.078 1.00 12.53 H new ATOM 0 HD11 LEU A 24 5.557 33.667 14.641 1.00 15.71 H new ATOM 0 HD12 LEU A 24 5.564 32.693 15.890 1.00 15.71 H new ATOM 0 HD13 LEU A 24 6.571 33.914 15.832 1.00 15.71 H new ATOM 0 HD21 LEU A 24 7.436 33.490 12.943 1.00 17.44 H new ATOM 0 HD22 LEU A 24 8.484 33.802 14.088 1.00 17.44 H new ATOM 0 HD23 LEU A 24 8.630 32.487 13.219 1.00 17.44 H new ATOM 414 N ASP A 25 11.027 30.160 16.393 1.00 9.28 N ANISOU 414 N ASP A 25 1343 1147 1037 -160 105 144 N ATOM 415 CA ASP A 25 11.819 29.301 17.251 1.00 9.33 C ANISOU 415 CA ASP A 25 1426 1207 911 -96 -1 64 C ATOM 416 C ASP A 25 12.750 30.090 18.156 1.00 8.78 C ANISOU 416 C ASP A 25 1544 876 916 -142 83 58 C ATOM 417 O ASP A 25 13.846 30.463 17.791 1.00 9.56 O ANISOU 417 O ASP A 25 1504 1163 967 -158 52 108 O ATOM 418 CB ASP A 25 12.663 28.407 16.332 1.00 9.45 C ANISOU 418 CB ASP A 25 1417 1041 1131 -180 -69 -84 C ATOM 419 CG ASP A 25 13.371 27.329 17.088 1.00 12.24 C ANISOU 419 CG ASP A 25 1643 1279 1728 88 -228 -15 C ATOM 420 OD1 ASP A 25 13.433 27.366 18.328 1.00 16.42 O ANISOU 420 OD1 ASP A 25 3576 943 1721 -159 -681 268 O ATOM 421 OD2 ASP A 25 13.849 26.415 16.420 1.00 17.22 O ANISOU 421 OD2 ASP A 25 2898 1146 2500 368 -47 -143 O ATOM 0 H ASP A 25 11.477 30.708 15.906 1.00 9.28 H new ATOM 0 HA ASP A 25 11.225 28.791 17.824 1.00 9.33 H new ATOM 0 HB2 ASP A 25 12.091 28.006 15.659 1.00 9.45 H new ATOM 0 HB3 ASP A 25 13.314 28.952 15.862 1.00 9.45 H new ATOM 426 N THR A 26 12.309 30.265 19.405 1.00 8.89 N ANISOU 426 N THR A 26 1302 1135 940 -127 0 85 N ATOM 427 CA THR A 26 13.083 31.007 20.381 1.00 9.53 C ANISOU 427 CA THR A 26 1519 1195 905 177 -103 -67 C ATOM 428 C THR A 26 14.374 30.299 20.782 1.00 9.08 C ANISOU 428 C THR A 26 1357 1071 1022 -8 -55 215 C ATOM 429 O THR A 26 15.282 30.918 21.296 1.00 10.28 O ANISOU 429 O THR A 26 1403 1301 1201 -113 -26 -11 O ATOM 430 CB THR A 26 12.255 31.306 21.624 1.00 9.27 C ANISOU 430 CB THR A 26 1509 874 1141 -35 89 -56 C ATOM 431 OG1 THR A 26 11.823 30.074 22.207 1.00 9.06 O ANISOU 431 OG1 THR A 26 1317 918 1208 -78 0 -78 O ATOM 432 CG2 THR A 26 11.017 32.116 21.244 1.00 10.48 C ANISOU 432 CG2 THR A 26 1696 1079 1206 224 67 -87 C ATOM 0 H THR A 26 11.562 29.958 19.700 1.00 8.89 H new ATOM 0 HA THR A 26 13.330 31.839 19.948 1.00 9.53 H new ATOM 0 HB THR A 26 12.798 31.809 22.251 1.00 9.27 H new ATOM 0 HG1 THR A 26 12.302 29.896 22.874 1.00 9.06 H new ATOM 0 HG21 THR A 26 10.495 32.302 22.040 1.00 10.48 H new ATOM 0 HG22 THR A 26 11.290 32.952 20.834 1.00 10.48 H new ATOM 0 HG23 THR A 26 10.479 31.609 20.616 1.00 10.48 H new ATOM 440 N GLY A 27 14.447 28.992 20.544 1.00 9.79 N ANISOU 440 N GLY A 27 1517 1050 1152 55 16 179 N ATOM 441 CA GLY A 27 15.648 28.245 20.836 1.00 10.69 C ANISOU 441 CA GLY A 27 1586 1307 1167 204 103 337 C ATOM 442 C GLY A 27 16.711 28.291 19.777 1.00 12.57 C ANISOU 442 C GLY A 27 1570 1678 1530 321 225 701 C ATOM 443 O GLY A 27 17.818 27.792 20.034 1.00 20.65 O ANISOU 443 O GLY A 27 1987 3327 2531 1271 739 1880 O ATOM 0 H GLY A 27 13.806 28.525 20.212 1.00 9.79 H new ATOM 0 HA2 GLY A 27 16.025 28.579 21.665 1.00 10.69 H new ATOM 0 HA3 GLY A 27 15.405 27.318 20.988 1.00 10.69 H new ATOM 447 N ALA A 28 16.381 28.864 18.624 1.00 10.16 N ANISOU 447 N ALA A 28 1541 1068 1250 229 266 318 N ATOM 448 CA ALA A 28 17.318 28.880 17.508 1.00 10.17 C ANISOU 448 CA ALA A 28 1526 1057 1281 149 214 120 C ATOM 449 C ALA A 28 18.107 30.181 17.511 1.00 9.71 C ANISOU 449 C ALA A 28 1490 1060 1141 124 280 59 C ATOM 450 O ALA A 28 17.556 31.277 17.538 1.00 10.86 O ANISOU 450 O ALA A 28 1700 1111 1315 251 91 165 O ATOM 451 CB ALA A 28 16.584 28.730 16.189 1.00 11.64 C ANISOU 451 CB ALA A 28 2113 1104 1205 -119 168 80 C ATOM 0 H ALA A 28 15.626 29.246 18.469 1.00 10.16 H new ATOM 0 HA ALA A 28 17.928 28.133 17.610 1.00 10.17 H new ATOM 0 HB1 ALA A 28 17.223 28.743 15.459 1.00 11.64 H new ATOM 0 HB2 ALA A 28 16.102 27.889 16.181 1.00 11.64 H new ATOM 0 HB3 ALA A 28 15.957 29.463 16.082 1.00 11.64 H new ATOM 457 N ASP A 29 19.436 30.064 17.444 1.00 10.39 N ANISOU 457 N ASP A 29 1536 970 1440 175 132 142 N ATOM 458 CA ASP A 29 20.220 31.282 17.320 1.00 9.70 C ANISOU 458 CA ASP A 29 1633 1166 887 -99 170 -221 C ATOM 459 C ASP A 29 20.037 31.930 15.961 1.00 9.97 C ANISOU 459 C ASP A 29 1497 1390 900 -358 294 -95 C ATOM 460 O ASP A 29 20.128 33.142 15.825 1.00 14.96 O ANISOU 460 O ASP A 29 3116 1398 1169 -601 -96 51 O ATOM 461 CB ASP A 29 21.691 30.922 17.392 1.00 12.48 C ANISOU 461 CB ASP A 29 1641 1639 1463 -92 104 -31 C ATOM 462 CG ASP A 29 22.171 30.412 18.714 1.00 14.80 C ANISOU 462 CG ASP A 29 2058 1998 1569 103 -204 -106 C ATOM 463 OD1 ASP A 29 21.491 30.659 19.734 1.00 14.76 O ANISOU 463 OD1 ASP A 29 2490 1642 1476 470 -62 293 O ATOM 464 OD2 ASP A 29 23.243 29.754 18.719 1.00 18.71 O ANISOU 464 OD2 ASP A 29 2187 3450 1471 656 -255 -168 O ATOM 0 H ASP A 29 19.879 29.327 17.467 1.00 10.39 H new ATOM 0 HA ASP A 29 19.933 31.882 18.026 1.00 9.70 H new ATOM 0 HB2 ASP A 29 21.876 30.249 16.718 1.00 12.48 H new ATOM 0 HB3 ASP A 29 22.211 31.707 17.159 1.00 12.48 H new ATOM 469 N ASP A 30 19.871 31.090 14.955 1.00 10.93 N ANISOU 469 N ASP A 30 1808 1461 884 -417 -7 -41 N ATOM 470 CA ASP A 30 19.906 31.451 13.561 1.00 10.03 C ANISOU 470 CA ASP A 30 1777 1176 857 -95 101 -55 C ATOM 471 C ASP A 30 18.597 31.074 12.878 1.00 9.25 C ANISOU 471 C ASP A 30 1638 1059 817 8 162 -146 C ATOM 472 O ASP A 30 17.820 30.255 13.337 1.00 10.32 O ANISOU 472 O ASP A 30 1593 1224 1104 22 104 212 O ATOM 473 CB ASP A 30 21.015 30.671 12.876 1.00 12.52 C ANISOU 473 CB ASP A 30 1537 1763 1457 -217 307 -236 C ATOM 474 CG ASP A 30 22.393 31.015 13.430 1.00 14.00 C ANISOU 474 CG ASP A 30 1732 2189 1397 -190 -228 166 C ATOM 475 OD1 ASP A 30 22.626 32.070 14.012 1.00 20.07 O ANISOU 475 OD1 ASP A 30 2508 2684 2433 -453 -678 -413 O ATOM 476 OD2 ASP A 30 23.253 30.166 13.272 1.00 21.04 O ANISOU 476 OD2 ASP A 30 2180 3256 2557 508 -736 -344 O ATOM 0 H ASP A 30 19.728 30.251 15.078 1.00 10.93 H new ATOM 0 HA ASP A 30 20.051 32.408 13.496 1.00 10.03 H new ATOM 0 HB2 ASP A 30 20.853 29.721 12.984 1.00 12.52 H new ATOM 0 HB3 ASP A 30 20.996 30.855 11.924 1.00 12.52 H new ATOM 481 N THR A 31 18.441 31.676 11.706 1.00 9.77 N ANISOU 481 N THR A 31 1692 956 1064 -254 -40 14 N ATOM 482 CA THR A 31 17.309 31.409 10.848 1.00 9.63 C ANISOU 482 CA THR A 31 1605 998 1056 -222 -11 -96 C ATOM 483 C THR A 31 17.754 30.496 9.735 1.00 9.69 C ANISOU 483 C THR A 31 1437 1092 1152 -121 32 -66 C ATOM 484 O THR A 31 18.771 30.747 9.110 1.00 10.19 O ANISOU 484 O THR A 31 1518 1035 1318 -112 102 -33 O ATOM 485 CB THR A 31 16.763 32.757 10.323 1.00 9.97 C ANISOU 485 CB THR A 31 1659 1118 1013 -144 81 -57 C ATOM 486 OG1 THR A 31 16.173 33.476 11.420 1.00 10.37 O ANISOU 486 OG1 THR A 31 1690 1079 1172 -82 178 -65 O ATOM 487 CG2 THR A 31 15.708 32.578 9.250 1.00 11.02 C ANISOU 487 CG2 THR A 31 1577 1568 1042 -255 47 132 C ATOM 0 H THR A 31 18.994 32.253 11.389 1.00 9.77 H new ATOM 0 HA THR A 31 16.592 30.964 11.327 1.00 9.63 H new ATOM 0 HB THR A 31 17.508 33.241 9.933 1.00 9.97 H new ATOM 0 HG1 THR A 31 16.778 33.845 11.871 1.00 10.37 H new ATOM 0 HG21 THR A 31 15.397 33.448 8.953 1.00 11.02 H new ATOM 0 HG22 THR A 31 16.089 32.097 8.498 1.00 11.02 H new ATOM 0 HG23 THR A 31 14.962 32.074 9.611 1.00 11.02 H new ATOM 495 N VAL A 32 17.021 29.415 9.514 1.00 9.07 N ANISOU 495 N VAL A 32 1559 1149 738 -180 92 -114 N ATOM 496 CA VAL A 32 17.453 28.419 8.562 1.00 10.13 C ANISOU 496 CA VAL A 32 1558 1335 956 -11 -40 -221 C ATOM 497 C VAL A 32 16.262 28.029 7.709 1.00 9.49 C ANISOU 497 C VAL A 32 1663 1009 933 -180 -63 -83 C ATOM 498 O VAL A 32 15.215 27.654 8.204 1.00 10.07 O ANISOU 498 O VAL A 32 1549 1271 1006 5 41 -25 O ATOM 499 CB AVAL A 32 18.081 27.162 9.201 0.50 12.57 C ATOM 500 CB BVAL A 32 18.081 27.162 9.201 0.50 12.57 C ATOM 501 CG1AVAL A 32 19.004 26.446 8.230 0.50 10.91 C ATOM 502 CG1BVAL A 32 17.312 26.469 10.236 0.50 9.94 C ATOM 503 CG2AVAL A 32 18.740 27.472 10.557 0.50 10.94 C ATOM 504 CG2BVAL A 32 18.431 26.180 8.076 0.50 9.76 C ATOM 0 H VAL A 32 16.274 29.244 9.905 1.00 9.07 H new ATOM 0 HA VAL A 32 18.160 28.817 8.030 1.00 10.13 H new ATOM 0 HB AVAL A 32 17.363 26.540 9.398 0.50 12.57 H new ATOM 0 HB BVAL A 32 18.855 27.491 9.685 0.50 12.57 H new ATOM 0 HG11AVAL A 32 19.382 25.663 8.660 0.50 9.94 H new ATOM 0 HG11BVAL A 32 17.814 25.702 10.553 0.50 9.94 H new ATOM 0 HG12AVAL A 32 18.501 26.173 7.447 0.50 9.94 H new ATOM 0 HG12BVAL A 32 17.145 27.074 10.975 0.50 9.94 H new ATOM 0 HG13AVAL A 32 19.719 27.044 7.962 0.50 9.94 H new ATOM 0 HG13BVAL A 32 16.466 26.171 9.866 0.50 9.94 H new ATOM 0 HG21AVAL A 32 19.122 26.660 10.925 0.50 9.76 H new ATOM 0 HG21BVAL A 32 18.828 25.381 8.456 0.50 9.76 H new ATOM 0 HG22AVAL A 32 19.441 28.131 10.433 0.50 9.76 H new ATOM 0 HG22BVAL A 32 17.625 25.941 7.592 0.50 9.76 H new ATOM 0 HG23AVAL A 32 18.073 27.821 11.169 0.50 9.76 H new ATOM 0 HG23BVAL A 32 19.062 26.596 7.468 0.50 9.76 H new ATOM 521 N ILE A 33 16.466 28.168 6.396 1.00 8.69 N ANISOU 521 N ILE A 33 1254 1126 920 205 1 -54 N ATOM 522 CA ILE A 33 15.447 27.921 5.412 1.00 10.32 C ANISOU 522 CA ILE A 33 1615 1313 991 58 -167 2 C ATOM 523 C ILE A 33 15.902 26.798 4.501 1.00 10.65 C ANISOU 523 C ILE A 33 1627 1481 939 131 -234 -76 C ATOM 524 O ILE A 33 17.095 26.693 4.211 1.00 10.80 O ANISOU 524 O ILE A 33 1661 1263 1178 38 -120 -68 O ATOM 525 CB ILE A 33 15.176 29.231 4.630 1.00 10.26 C ANISOU 525 CB ILE A 33 1607 1448 844 112 -2 132 C ATOM 526 CG1 ILE A 33 14.831 30.390 5.554 1.00 11.91 C ANISOU 526 CG1 ILE A 33 1684 1416 1424 232 89 -26 C ATOM 527 CG2 ILE A 33 14.098 29.027 3.584 1.00 12.68 C ANISOU 527 CG2 ILE A 33 1552 2202 1063 443 -140 50 C ATOM 528 CD1 ILE A 33 13.579 30.209 6.370 1.00 11.92 C ANISOU 528 CD1 ILE A 33 1639 1633 1258 354 29 -96 C ATOM 0 H ILE A 33 17.219 28.413 6.060 1.00 8.69 H new ATOM 0 HA ILE A 33 14.617 27.646 5.831 1.00 10.32 H new ATOM 0 HB ILE A 33 15.999 29.467 4.175 1.00 10.26 H new ATOM 0 HG12 ILE A 33 15.576 30.536 6.158 1.00 11.91 H new ATOM 0 HG13 ILE A 33 14.738 31.194 5.020 1.00 11.91 H new ATOM 0 HG21 ILE A 33 13.946 29.859 3.109 1.00 12.68 H new ATOM 0 HG22 ILE A 33 14.381 28.344 2.956 1.00 12.68 H new ATOM 0 HG23 ILE A 33 13.276 28.748 4.016 1.00 12.68 H new ATOM 0 HD11 ILE A 33 13.439 30.992 6.926 1.00 11.92 H new ATOM 0 HD12 ILE A 33 12.820 30.094 5.777 1.00 11.92 H new ATOM 0 HD13 ILE A 33 13.670 29.425 6.934 1.00 11.92 H new ATOM 540 N GLU A 34 14.940 26.017 4.051 1.00 10.18 N ANISOU 540 N GLU A 34 1591 1302 973 37 127 -66 N ATOM 541 CA GLU A 34 15.180 24.983 3.075 1.00 10.96 C ANISOU 541 CA GLU A 34 1886 1344 933 47 81 -124 C ATOM 542 C GLU A 34 15.756 25.541 1.806 1.00 10.47 C ANISOU 542 C GLU A 34 1847 1210 920 14 -33 -148 C ATOM 543 O GLU A 34 15.671 26.755 1.543 1.00 11.38 O ANISOU 543 O GLU A 34 1980 1300 1044 139 83 -31 O ATOM 544 CB GLU A 34 13.853 24.302 2.780 1.00 11.68 C ANISOU 544 CB GLU A 34 2011 1115 1314 -41 53 -69 C ATOM 545 CG GLU A 34 12.853 25.182 2.087 1.00 12.34 C ANISOU 545 CG GLU A 34 2126 1518 1043 -57 -256 -184 C ATOM 546 CD GLU A 34 11.417 24.741 2.241 1.00 16.18 C ANISOU 546 CD GLU A 34 2167 1813 2167 -240 -511 119 C ATOM 547 OE1 GLU A 34 11.194 23.546 2.523 1.00 24.26 O ANISOU 547 OE1 GLU A 34 2341 2097 4779 -501 -899 904 O ATOM 548 OE2 GLU A 34 10.509 25.610 2.046 1.00 14.92 O ANISOU 548 OE2 GLU A 34 2076 2081 1513 -111 -256 112 O ATOM 0 H GLU A 34 14.121 26.074 4.308 1.00 10.18 H new ATOM 0 HA GLU A 34 15.825 24.352 3.432 1.00 10.96 H new ATOM 0 HB2 GLU A 34 14.017 23.520 2.230 1.00 11.68 H new ATOM 0 HB3 GLU A 34 13.470 23.987 3.614 1.00 11.68 H new ATOM 0 HG2 GLU A 34 12.941 26.085 2.431 1.00 12.34 H new ATOM 0 HG3 GLU A 34 13.069 25.216 1.142 1.00 12.34 H new ATOM 555 N GLU A 35 16.328 24.641 1.022 1.00 11.38 N ANISOU 555 N GLU A 35 2130 1305 888 26 72 -242 N ATOM 556 CA GLU A 35 17.028 25.082 -0.140 1.00 12.69 C ANISOU 556 CA GLU A 35 2376 1404 1043 34 225 -65 C ATOM 557 C GLU A 35 16.177 25.994 -1.043 1.00 11.91 C ANISOU 557 C GLU A 35 1768 1632 1126 -36 388 39 C ATOM 558 O GLU A 35 15.021 25.738 -1.359 1.00 12.73 O ANISOU 558 O GLU A 35 2117 1537 1181 -245 94 -267 O ATOM 559 CB GLU A 35 17.498 23.932 -1.041 1.00 13.25 C ANISOU 559 CB GLU A 35 2382 1628 1024 131 184 -265 C ATOM 560 CG GLU A 35 18.674 23.201 -0.443 1.00 15.68 C ANISOU 560 CG GLU A 35 2089 2030 1838 175 236 -264 C ATOM 561 CD GLU A 35 19.981 23.958 -0.460 1.00 18.43 C ANISOU 561 CD GLU A 35 2447 2796 1758 -361 -65 -32 C ATOM 562 OE1 GLU A 35 20.020 24.997 -1.155 1.00 19.65 O ANISOU 562 OE1 GLU A 35 2505 3074 1887 -397 279 194 O ATOM 563 OE2 GLU A 35 20.924 23.474 0.216 1.00 18.81 O ANISOU 563 OE2 GLU A 35 2428 2480 2238 -20 -216 -545 O ATOM 0 H GLU A 35 16.317 23.791 1.151 1.00 11.38 H new ATOM 0 HA GLU A 35 17.786 25.562 0.229 1.00 12.69 H new ATOM 0 HB2 GLU A 35 16.767 23.310 -1.181 1.00 13.25 H new ATOM 0 HB3 GLU A 35 17.743 24.282 -1.912 1.00 13.25 H new ATOM 0 HG2 GLU A 35 18.461 22.973 0.476 1.00 15.68 H new ATOM 0 HG3 GLU A 35 18.795 22.366 -0.922 1.00 15.68 H new ATOM 570 N MET A 36 16.793 27.112 -1.388 1.00 11.20 N ANISOU 570 N MET A 36 1827 1646 783 -114 -52 52 N ATOM 571 CA MET A 36 16.246 28.147 -2.222 1.00 12.99 C ANISOU 571 CA MET A 36 2137 1654 1146 -18 -144 76 C ATOM 572 C MET A 36 17.395 29.048 -2.683 1.00 14.89 C ANISOU 572 C MET A 36 2435 1481 1743 -238 -284 264 C ATOM 573 O MET A 36 18.476 28.991 -2.124 1.00 13.66 O ANISOU 573 O MET A 36 2190 1548 1451 -172 -18 202 O ATOM 574 CB MET A 36 15.198 28.995 -1.483 1.00 15.03 C ANISOU 574 CB MET A 36 2605 1710 1395 254 -187 -139 C ATOM 575 CG MET A 36 15.785 29.895 -0.416 1.00 14.34 C ANISOU 575 CG MET A 36 2314 1734 1399 4 -23 -78 C ATOM 576 SD MET A 36 14.537 30.891 0.373 1.00 14.62 S ANISOU 576 SD MET A 36 2487 1641 1428 16 176 -28 S ATOM 577 CE MET A 36 14.114 31.987 -0.948 1.00 15.73 C ANISOU 577 CE MET A 36 2622 1845 1509 117 -115 13 C ATOM 0 H MET A 36 17.591 27.292 -1.122 1.00 11.20 H new ATOM 0 HA MET A 36 15.800 27.730 -2.976 1.00 12.99 H new ATOM 0 HB2 MET A 36 14.721 29.540 -2.128 1.00 15.03 H new ATOM 0 HB3 MET A 36 14.546 28.405 -1.074 1.00 15.03 H new ATOM 0 HG2 MET A 36 16.236 29.354 0.251 1.00 14.34 H new ATOM 0 HG3 MET A 36 16.456 30.472 -0.813 1.00 14.34 H new ATOM 0 HE1 MET A 36 14.183 32.905 -0.642 1.00 15.73 H new ATOM 0 HE2 MET A 36 14.721 31.848 -1.691 1.00 15.73 H new ATOM 0 HE3 MET A 36 13.205 31.811 -1.236 1.00 15.73 H new ATOM 587 N SER A 37 17.130 29.854 -3.688 1.00 14.99 N ANISOU 587 N SER A 37 2462 1898 1333 -218 -121 227 N ATOM 588 CA SER A 37 18.054 30.854 -4.144 1.00 14.86 C ANISOU 588 CA SER A 37 2716 1946 984 -320 80 62 C ATOM 589 C SER A 37 17.901 32.122 -3.353 1.00 13.36 C ANISOU 589 C SER A 37 2014 1805 1256 -52 -125 188 C ATOM 590 O SER A 37 16.771 32.562 -3.106 1.00 15.93 O ANISOU 590 O SER A 37 2062 2142 1848 69 -93 224 O ATOM 591 CB ASER A 37 17.758 31.125 -5.639 0.50 18.39 C ATOM 592 CB BSER A 37 17.758 31.125 -5.639 0.50 18.39 C ATOM 593 OG ASER A 37 17.874 29.923 -6.336 0.50 30.76 O ATOM 594 OG BSER A 37 18.405 32.302 -6.091 0.50 23.43 O ATOM 0 H SER A 37 16.393 29.832 -4.131 1.00 14.99 H new ATOM 0 HA SER A 37 18.964 30.540 -4.026 1.00 14.86 H new ATOM 0 HB2ASER A 37 16.866 31.492 -5.745 0.50 18.39 H new ATOM 0 HB2BSER A 37 18.051 30.369 -6.171 0.50 18.39 H new ATOM 0 HB3ASER A 37 18.379 31.781 -5.992 0.50 18.39 H new ATOM 0 HB3BSER A 37 16.801 31.210 -5.770 0.50 18.39 H new ATOM 0 HG ASER A 37 18.683 29.699 -6.376 0.50 23.43 H new ATOM 0 HG BSER A 37 17.919 32.968 -5.931 0.50 23.43 H new ATOM 603 N LEU A 38 19.049 32.703 -3.003 1.00 13.24 N ANISOU 603 N LEU A 38 2035 1501 1495 -114 39 214 N ATOM 604 CA LEU A 38 19.068 34.021 -2.425 1.00 13.32 C ANISOU 604 CA LEU A 38 2157 1466 1438 -121 333 207 C ATOM 605 C LEU A 38 20.178 34.848 -3.050 1.00 13.92 C ANISOU 605 C LEU A 38 2120 1663 1507 -311 141 160 C ATOM 606 O LEU A 38 21.134 34.249 -3.548 1.00 16.02 O ANISOU 606 O LEU A 38 2211 1940 1937 -158 510 358 O ATOM 607 CB LEU A 38 19.359 33.922 -0.926 1.00 13.59 C ANISOU 607 CB LEU A 38 2150 1438 1575 -468 25 238 C ATOM 608 CG LEU A 38 18.213 33.457 -0.073 1.00 12.90 C ANISOU 608 CG LEU A 38 2096 1480 1325 -65 215 20 C ATOM 609 CD1 LEU A 38 18.696 33.393 1.382 1.00 14.01 C ANISOU 609 CD1 LEU A 38 2200 1591 1533 74 -85 309 C ATOM 610 CD2 LEU A 38 16.992 34.366 -0.168 1.00 15.33 C ANISOU 610 CD2 LEU A 38 2344 2006 1476 313 -155 98 C ATOM 0 H LEU A 38 19.823 32.341 -3.097 1.00 13.24 H new ATOM 0 HA LEU A 38 18.205 34.435 -2.583 1.00 13.32 H new ATOM 0 HB2 LEU A 38 20.105 33.315 -0.797 1.00 13.59 H new ATOM 0 HB3 LEU A 38 19.644 34.794 -0.610 1.00 13.59 H new ATOM 0 HG LEU A 38 17.933 32.585 -0.394 1.00 12.90 H new ATOM 0 HD11 LEU A 38 17.970 33.094 1.951 1.00 14.01 H new ATOM 0 HD12 LEU A 38 19.437 32.771 1.450 1.00 14.01 H new ATOM 0 HD13 LEU A 38 18.987 34.274 1.666 1.00 14.01 H new ATOM 0 HD21 LEU A 38 16.286 34.020 0.400 1.00 15.33 H new ATOM 0 HD22 LEU A 38 17.231 35.260 0.122 1.00 15.33 H new ATOM 0 HD23 LEU A 38 16.682 34.396 -1.087 1.00 15.33 H new ATOM 622 N PRO A 39 20.032 36.161 -2.998 1.00 16.76 N ANISOU 622 N PRO A 39 2385 1598 2384 -186 189 545 N ATOM 623 CA PRO A 39 21.051 36.998 -3.612 1.00 18.22 C ANISOU 623 CA PRO A 39 2484 1721 2717 -279 130 655 C ATOM 624 C PRO A 39 22.277 37.172 -2.730 1.00 17.46 C ANISOU 624 C PRO A 39 2511 1603 2521 -406 184 1023 C ATOM 625 O PRO A 39 22.162 37.041 -1.522 1.00 19.49 O ANISOU 625 O PRO A 39 2790 2093 2522 -232 219 909 O ATOM 626 CB PRO A 39 20.344 38.340 -3.736 1.00 20.42 C ANISOU 626 CB PRO A 39 2926 1993 2838 2 178 1292 C ATOM 627 CG PRO A 39 19.404 38.354 -2.573 1.00 20.75 C ANISOU 627 CG PRO A 39 3350 1678 2857 96 337 632 C ATOM 628 CD PRO A 39 18.910 36.950 -2.458 1.00 19.02 C ANISOU 628 CD PRO A 39 3140 1651 2434 242 592 895 C ATOM 0 HA PRO A 39 21.375 36.618 -4.444 1.00 18.22 H new ATOM 0 HB2 PRO A 39 20.972 39.078 -3.696 1.00 20.42 H new ATOM 0 HB3 PRO A 39 19.870 38.416 -4.579 1.00 20.42 H new ATOM 0 HG2 PRO A 39 19.854 38.636 -1.761 1.00 20.75 H new ATOM 0 HG3 PRO A 39 18.672 38.973 -2.721 1.00 20.75 H new ATOM 0 HD2 PRO A 39 18.713 36.712 -1.538 1.00 19.02 H new ATOM 0 HD3 PRO A 39 18.096 36.812 -2.967 1.00 19.02 H new ATOM 636 N GLY A 40 23.386 37.465 -3.393 1.00 20.11 N ANISOU 636 N GLY A 40 2263 2401 2978 6 267 1379 N ATOM 637 CA GLY A 40 24.630 37.875 -2.785 1.00 21.65 C ANISOU 637 CA GLY A 40 2199 2484 3541 -24 211 1268 C ATOM 638 C GLY A 40 25.537 36.693 -2.546 1.00 17.71 C ANISOU 638 C GLY A 40 1839 2041 2849 -490 354 1155 C ATOM 639 O GLY A 40 25.270 35.542 -2.907 1.00 22.21 O ANISOU 639 O GLY A 40 2999 2061 3380 -699 186 1046 O ATOM 0 H GLY A 40 23.431 37.427 -4.251 1.00 20.11 H new ATOM 0 HA2 GLY A 40 25.077 38.518 -3.358 1.00 21.65 H new ATOM 0 HA3 GLY A 40 24.449 38.323 -1.944 1.00 21.65 H new ATOM 643 N ARG A 41 26.635 37.060 -1.901 1.00 20.63 N ANISOU 643 N ARG A 41 2261 2662 2916 -414 -175 1185 N ATOM 644 CA ARG A 41 27.654 36.060 -1.587 1.00 20.99 C ANISOU 644 CA ARG A 41 2415 3206 2355 -58 140 1531 C ATOM 645 C ARG A 41 27.239 35.293 -0.345 1.00 21.63 C ANISOU 645 C ARG A 41 3086 2505 2628 305 1079 1184 C ATOM 646 O ARG A 41 26.476 35.707 0.503 1.00 18.96 O ANISOU 646 O ARG A 41 3145 1981 2077 92 439 592 O ATOM 647 CB ARG A 41 29.008 36.728 -1.391 1.00 30.18 C ANISOU 647 CB ARG A 41 2188 4610 4668 -383 -16 2624 C ATOM 648 CG ARG A 41 29.585 37.389 -2.635 1.00 37.37 C ANISOU 648 CG ARG A 41 2791 5934 5475 -1028 -335 3864 C ATOM 649 CD ARG A 41 30.783 38.271 -2.249 1.00 56.63 C ANISOU 649 CD ARG A 41 4081 8434 9000 -3168 274 3292 C ATOM 650 NE ARG A 41 31.323 39.136 -3.290 1.00 65.75 N ANISOU 650 NE ARG A 41 5702 9039 10239 -4059 322 4011 N ATOM 651 CZ ARG A 41 31.786 40.377 -3.201 1.00 68.83 C ANISOU 651 CZ ARG A 41 6652 8877 10625 -4006 -255 4081 C ATOM 652 NH1 ARG A 41 31.807 41.038 -2.039 1.00 80.22 N ANISOU 652 NH1 ARG A 41 8364 9388 12728 -958 -1573 2038 N ATOM 653 NH2 ARG A 41 32.252 41.039 -4.261 1.00 80.32 N ANISOU 653 NH2 ARG A 41 7940 9430 13150 -2882 -319 7041 N ATOM 0 H ARG A 41 26.811 37.861 -1.640 1.00 20.63 H new ATOM 0 HA ARG A 41 27.736 35.437 -2.326 1.00 20.99 H new ATOM 0 HB2 ARG A 41 28.925 37.398 -0.694 1.00 30.18 H new ATOM 0 HB3 ARG A 41 29.638 36.063 -1.072 1.00 30.18 H new ATOM 0 HG2 ARG A 41 29.863 36.712 -3.271 1.00 37.37 H new ATOM 0 HG3 ARG A 41 28.905 37.926 -3.071 1.00 37.37 H new ATOM 0 HD2 ARG A 41 30.520 38.828 -1.500 1.00 56.63 H new ATOM 0 HD3 ARG A 41 31.496 37.693 -1.936 1.00 56.63 H new ATOM 0 HE ARG A 41 31.345 38.792 -4.078 1.00 65.75 H new ATOM 0 HH11 ARG A 41 31.516 40.660 -1.324 1.00 80.22 H new ATOM 0 HH12 ARG A 41 32.112 41.841 -2.007 1.00 80.22 H new ATOM 0 HH21 ARG A 41 32.259 40.662 -5.034 1.00 80.32 H new ATOM 0 HH22 ARG A 41 32.545 41.842 -4.171 1.00 80.32 H new ATOM 667 N TRP A 42 27.764 34.079 -0.229 1.00 19.54 N ANISOU 667 N TRP A 42 2769 2449 2205 234 913 932 N ATOM 668 CA TRP A 42 27.499 33.295 0.951 1.00 15.65 C ANISOU 668 CA TRP A 42 2279 1946 1722 -234 427 489 C ATOM 669 C TRP A 42 28.784 32.639 1.406 1.00 16.19 C ANISOU 669 C TRP A 42 2166 1758 2228 -421 385 485 C ATOM 670 O TRP A 42 29.799 32.608 0.694 1.00 16.93 O ANISOU 670 O TRP A 42 2254 2067 2113 -196 378 522 O ATOM 671 CB TRP A 42 26.405 32.285 0.568 1.00 16.90 C ANISOU 671 CB TRP A 42 2445 2452 1526 -305 86 257 C ATOM 672 CG TRP A 42 26.812 31.385 -0.549 1.00 17.22 C ANISOU 672 CG TRP A 42 2046 2744 1753 -190 92 108 C ATOM 673 CD1 TRP A 42 26.596 31.645 -1.867 1.00 21.79 C ANISOU 673 CD1 TRP A 42 3348 3227 1704 383 -301 -222 C ATOM 674 CD2 TRP A 42 27.484 30.119 -0.479 1.00 18.46 C ANISOU 674 CD2 TRP A 42 2199 2695 2119 -182 97 26 C ATOM 675 NE1 TRP A 42 27.101 30.602 -2.622 1.00 21.85 N ANISOU 675 NE1 TRP A 42 3733 2635 1934 -259 476 50 N ATOM 676 CE2 TRP A 42 27.649 29.652 -1.808 1.00 19.42 C ANISOU 676 CE2 TRP A 42 2500 2647 2233 -386 162 -133 C ATOM 677 CE3 TRP A 42 27.970 29.311 0.546 1.00 19.00 C ANISOU 677 CE3 TRP A 42 2032 2908 2277 216 264 70 C ATOM 678 CZ2 TRP A 42 28.265 28.446 -2.115 1.00 22.11 C ANISOU 678 CZ2 TRP A 42 2686 3372 2342 258 574 -111 C ATOM 679 CZ3 TRP A 42 28.587 28.096 0.225 1.00 23.92 C ANISOU 679 CZ3 TRP A 42 3614 3056 2419 705 404 -22 C ATOM 680 CH2 TRP A 42 28.737 27.663 -1.092 1.00 22.05 C ANISOU 680 CH2 TRP A 42 3095 2780 2503 30 191 -257 C ATOM 0 H TRP A 42 28.267 33.702 -0.816 1.00 19.54 H new ATOM 0 HA TRP A 42 27.185 33.828 1.699 1.00 15.65 H new ATOM 0 HB2 TRP A 42 26.180 31.748 1.344 1.00 16.90 H new ATOM 0 HB3 TRP A 42 25.602 32.766 0.314 1.00 16.90 H new ATOM 0 HD1 TRP A 42 26.176 32.403 -2.206 1.00 21.79 H new ATOM 0 HE1 TRP A 42 27.074 30.558 -3.480 1.00 21.85 H new ATOM 0 HE3 TRP A 42 27.886 29.576 1.434 1.00 19.00 H new ATOM 0 HZ2 TRP A 42 28.356 28.174 -3.000 1.00 22.11 H new ATOM 0 HZ3 TRP A 42 28.908 27.559 0.914 1.00 23.92 H new ATOM 0 HH2 TRP A 42 29.153 26.852 -1.275 1.00 22.05 H new ATOM 691 N LYS A 43 28.701 32.082 2.609 1.00 15.53 N ANISOU 691 N LYS A 43 1980 1766 2155 -48 458 438 N ATOM 692 CA LYS A 43 29.812 31.335 3.146 1.00 15.22 C ANISOU 692 CA LYS A 43 1662 1963 2159 -78 435 208 C ATOM 693 C LYS A 43 29.221 30.141 3.862 1.00 12.67 C ANISOU 693 C LYS A 43 1223 1841 1751 188 180 170 C ATOM 694 O LYS A 43 28.116 30.232 4.351 1.00 13.93 O ANISOU 694 O LYS A 43 1593 1717 1982 363 541 426 O ATOM 695 CB LYS A 43 30.700 32.123 4.089 1.00 19.92 C ANISOU 695 CB LYS A 43 2568 2421 2581 -683 -3 299 C ATOM 696 CG LYS A 43 30.051 32.577 5.357 1.00 21.25 C ANISOU 696 CG LYS A 43 3417 2365 2293 -245 -258 196 C ATOM 697 CD LYS A 43 30.994 33.484 6.146 1.00 30.48 C ANISOU 697 CD LYS A 43 4196 4297 3087 -1006 -415 -611 C ATOM 698 CE LYS A 43 30.269 34.555 6.941 1.00 42.96 C ANISOU 698 CE LYS A 43 5887 5902 4534 -1569 359 -2748 C ATOM 699 NZ LYS A 43 31.099 35.746 7.273 1.00 66.94 N ANISOU 699 NZ LYS A 43 8878 6394 10162 -2407 -503 -4298 N ATOM 0 H LYS A 43 28.012 32.128 3.122 1.00 15.53 H new ATOM 0 HA LYS A 43 30.395 31.083 2.413 1.00 15.22 H new ATOM 0 HB2 LYS A 43 31.469 31.577 4.315 1.00 19.92 H new ATOM 0 HB3 LYS A 43 31.034 32.902 3.618 1.00 19.92 H new ATOM 0 HG2 LYS A 43 29.230 33.053 5.154 1.00 21.25 H new ATOM 0 HG3 LYS A 43 29.807 31.808 5.895 1.00 21.25 H new ATOM 0 HD2 LYS A 43 31.523 32.942 6.752 1.00 30.48 H new ATOM 0 HD3 LYS A 43 31.613 33.909 5.532 1.00 30.48 H new ATOM 0 HE2 LYS A 43 29.493 34.846 6.437 1.00 42.96 H new ATOM 0 HE3 LYS A 43 29.941 34.163 7.766 1.00 42.96 H new ATOM 0 HZ1 LYS A 43 30.611 36.328 7.737 1.00 66.94 H new ATOM 0 HZ2 LYS A 43 31.800 35.493 7.759 1.00 66.94 H new ATOM 0 HZ3 LYS A 43 31.382 36.129 6.521 1.00 66.94 H new ATOM 713 N PRO A 44 29.943 29.039 3.876 1.00 13.80 N ANISOU 713 N PRO A 44 1214 2051 1978 275 364 269 N ATOM 714 CA PRO A 44 29.407 27.866 4.545 1.00 14.26 C ANISOU 714 CA PRO A 44 1664 1821 1934 215 67 195 C ATOM 715 C PRO A 44 29.494 27.972 6.073 1.00 13.35 C ANISOU 715 C PRO A 44 1599 1568 1903 93 62 133 C ATOM 716 O PRO A 44 30.323 28.675 6.653 1.00 14.66 O ANISOU 716 O PRO A 44 1635 1807 2128 -233 -158 461 O ATOM 717 CB PRO A 44 30.279 26.739 4.012 1.00 17.20 C ANISOU 717 CB PRO A 44 2321 2137 2076 566 165 -32 C ATOM 718 CG PRO A 44 31.512 27.358 3.508 1.00 20.14 C ANISOU 718 CG PRO A 44 1602 2547 3504 768 40 -39 C ATOM 719 CD PRO A 44 31.252 28.795 3.246 1.00 16.51 C ANISOU 719 CD PRO A 44 1274 2664 2334 598 317 315 C ATOM 0 HA PRO A 44 28.462 27.738 4.370 1.00 14.26 H new ATOM 0 HB2 PRO A 44 30.477 26.097 4.712 1.00 17.20 H new ATOM 0 HB3 PRO A 44 29.823 26.256 3.305 1.00 17.20 H new ATOM 0 HG2 PRO A 44 32.227 27.259 4.156 1.00 20.14 H new ATOM 0 HG3 PRO A 44 31.802 26.915 2.695 1.00 20.14 H new ATOM 0 HD2 PRO A 44 31.942 29.357 3.631 1.00 16.51 H new ATOM 0 HD3 PRO A 44 31.230 28.985 2.295 1.00 16.51 H new ATOM 727 N LYS A 45 28.575 27.234 6.672 1.00 12.71 N ANISOU 727 N LYS A 45 1737 1444 1649 -184 -246 -11 N ATOM 728 CA LYS A 45 28.414 27.179 8.118 1.00 12.70 C ANISOU 728 CA LYS A 45 1631 1540 1654 124 -135 67 C ATOM 729 C LYS A 45 27.923 25.800 8.501 1.00 12.20 C ANISOU 729 C LYS A 45 1499 1641 1494 -3 -194 70 C ATOM 730 O LYS A 45 27.207 25.170 7.712 1.00 12.98 O ANISOU 730 O LYS A 45 1884 1649 1398 22 -369 80 O ATOM 731 CB LYS A 45 27.435 28.276 8.595 1.00 14.55 C ANISOU 731 CB LYS A 45 1823 1707 2000 246 -96 -23 C ATOM 732 CG LYS A 45 27.396 28.488 10.079 1.00 15.37 C ANISOU 732 CG LYS A 45 2067 1777 1998 394 69 -53 C ATOM 733 CD LYS A 45 26.436 29.510 10.669 1.00 15.86 C ANISOU 733 CD LYS A 45 1877 1494 2655 212 -318 -598 C ATOM 734 CE LYS A 45 26.736 29.695 12.168 1.00 21.08 C ANISOU 734 CE LYS A 45 2690 3406 1913 469 1095 46 C ATOM 735 NZ LYS A 45 25.920 30.703 12.858 1.00 22.70 N ANISOU 735 NZ LYS A 45 3654 2186 2784 -21 901 -470 N ATOM 0 H LYS A 45 28.016 26.741 6.244 1.00 12.71 H new ATOM 0 HA LYS A 45 29.266 27.344 8.552 1.00 12.70 H new ATOM 0 HB2 LYS A 45 27.676 29.113 8.168 1.00 14.55 H new ATOM 0 HB3 LYS A 45 26.542 28.049 8.291 1.00 14.55 H new ATOM 0 HG2 LYS A 45 27.196 27.632 10.489 1.00 15.37 H new ATOM 0 HG3 LYS A 45 28.291 28.735 10.360 1.00 15.37 H new ATOM 0 HD2 LYS A 45 26.525 30.357 10.205 1.00 15.86 H new ATOM 0 HD3 LYS A 45 25.520 29.215 10.547 1.00 15.86 H new ATOM 0 HE2 LYS A 45 26.613 28.842 12.614 1.00 21.08 H new ATOM 0 HE3 LYS A 45 27.671 29.935 12.267 1.00 21.08 H new ATOM 0 HZ1 LYS A 45 26.243 30.837 13.676 1.00 22.70 H new ATOM 0 HZ2 LYS A 45 25.943 31.467 12.402 1.00 22.70 H new ATOM 0 HZ3 LYS A 45 25.079 30.417 12.915 1.00 22.70 H new ATOM 749 N MET A 46 28.294 25.321 9.664 1.00 11.48 N ANISOU 749 N MET A 46 1356 1665 1342 -86 -152 -63 N ATOM 750 CA MET A 46 27.685 24.144 10.229 1.00 12.61 C ANISOU 750 CA MET A 46 1536 2041 1214 -238 -270 194 C ATOM 751 C MET A 46 26.846 24.607 11.410 1.00 12.91 C ANISOU 751 C MET A 46 1716 1960 1228 -197 -269 141 C ATOM 752 O MET A 46 27.294 25.362 12.270 1.00 15.49 O ANISOU 752 O MET A 46 1773 2283 1828 -422 1 -413 O ATOM 753 CB MET A 46 28.751 23.184 10.721 1.00 12.81 C ANISOU 753 CB MET A 46 1411 2036 1422 -282 -293 299 C ATOM 754 CG MET A 46 29.527 22.519 9.615 1.00 16.38 C ANISOU 754 CG MET A 46 1319 3032 1873 -201 -34 -63 C ATOM 755 SD MET A 46 28.560 21.109 9.070 1.00 19.52 S ANISOU 755 SD MET A 46 1949 2702 2765 294 -691 -691 S ATOM 756 CE MET A 46 29.328 19.881 10.120 1.00 24.47 C ANISOU 756 CE MET A 46 2659 2427 4212 1140 -1289 -1012 C ATOM 0 H MET A 46 28.910 25.671 10.152 1.00 11.48 H new ATOM 0 HA MET A 46 27.147 23.686 9.564 1.00 12.61 H new ATOM 0 HB2 MET A 46 29.368 23.665 11.294 1.00 12.81 H new ATOM 0 HB3 MET A 46 28.332 22.500 11.267 1.00 12.81 H new ATOM 0 HG2 MET A 46 29.677 23.136 8.882 1.00 16.38 H new ATOM 0 HG3 MET A 46 30.399 22.236 9.930 1.00 16.38 H new ATOM 0 HE1 MET A 46 28.919 19.016 9.960 1.00 24.47 H new ATOM 0 HE2 MET A 46 30.276 19.832 9.920 1.00 24.47 H new ATOM 0 HE3 MET A 46 29.206 20.128 11.050 1.00 24.47 H new ATOM 766 N ILE A 47 25.610 24.155 11.400 1.00 11.86 N ANISOU 766 N ILE A 47 1694 1723 1090 -92 -90 -152 N ATOM 767 CA ILE A 47 24.728 24.413 12.518 1.00 11.16 C ANISOU 767 CA ILE A 47 1864 1194 1184 398 -29 23 C ATOM 768 C ILE A 47 24.389 23.105 13.184 1.00 11.49 C ANISOU 768 C ILE A 47 1738 1259 1370 401 -66 208 C ATOM 769 O ILE A 47 24.276 22.072 12.547 1.00 11.67 O ANISOU 769 O ILE A 47 1410 1318 1704 141 181 45 O ATOM 770 CB ILE A 47 23.452 25.145 12.089 1.00 12.60 C ANISOU 770 CB ILE A 47 2091 1059 1637 442 -206 125 C ATOM 771 CG1 ILE A 47 22.719 24.484 10.961 1.00 12.88 C ANISOU 771 CG1 ILE A 47 1494 1865 1536 440 -2 36 C ATOM 772 CG2 ILE A 47 23.819 26.562 11.731 1.00 16.71 C ANISOU 772 CG2 ILE A 47 3990 1037 1323 425 -11 270 C ATOM 773 CD1 ILE A 47 21.347 25.071 10.681 1.00 16.77 C ANISOU 773 CD1 ILE A 47 1820 3111 1441 1236 71 28 C ATOM 0 H ILE A 47 25.262 23.699 10.760 1.00 11.86 H new ATOM 0 HA ILE A 47 25.187 24.996 13.143 1.00 11.16 H new ATOM 0 HB ILE A 47 22.834 25.122 12.836 1.00 12.60 H new ATOM 0 HG12 ILE A 47 23.258 24.549 10.157 1.00 12.88 H new ATOM 0 HG13 ILE A 47 22.621 23.540 11.162 1.00 12.88 H new ATOM 0 HG21 ILE A 47 23.023 27.043 11.456 1.00 16.71 H new ATOM 0 HG22 ILE A 47 24.211 27.000 12.503 1.00 16.71 H new ATOM 0 HG23 ILE A 47 24.460 26.556 11.003 1.00 16.71 H new ATOM 0 HD11 ILE A 47 20.936 24.595 9.943 1.00 16.77 H new ATOM 0 HD12 ILE A 47 20.791 24.985 11.471 1.00 16.77 H new ATOM 0 HD13 ILE A 47 21.437 26.009 10.450 1.00 16.77 H new ATOM 785 N GLY A 48 24.220 23.181 14.508 1.00 11.83 N ANISOU 785 N GLY A 48 1746 1276 1472 -15 50 173 N ATOM 786 CA GLY A 48 23.993 21.988 15.262 1.00 11.98 C ANISOU 786 CA GLY A 48 1601 1394 1555 96 100 348 C ATOM 787 C GLY A 48 22.684 22.006 16.005 1.00 11.79 C ANISOU 787 C GLY A 48 1500 1240 1738 189 69 290 C ATOM 788 O GLY A 48 22.076 23.027 16.271 1.00 14.42 O ANISOU 788 O GLY A 48 1792 1410 2277 255 111 -69 O ATOM 0 H GLY A 48 24.236 23.909 14.966 1.00 11.83 H new ATOM 0 HA2 GLY A 48 24.010 21.225 14.664 1.00 11.98 H new ATOM 0 HA3 GLY A 48 24.718 21.868 15.895 1.00 11.98 H new ATOM 792 N GLY A 49 22.310 20.822 16.431 1.00 15.44 N ANISOU 792 N GLY A 49 1881 1407 2576 -93 620 208 N ATOM 793 CA GLY A 49 21.131 20.679 17.267 1.00 17.10 C ANISOU 793 CA GLY A 49 1987 1661 2849 -130 785 204 C ATOM 794 C GLY A 49 20.877 19.217 17.502 1.00 16.74 C ANISOU 794 C GLY A 49 2198 1607 2556 -140 843 156 C ATOM 795 O GLY A 49 21.815 18.457 17.536 1.00 16.70 O ANISOU 795 O GLY A 49 2491 1733 2123 120 379 -70 O ATOM 0 H GLY A 49 22.719 20.087 16.252 1.00 15.44 H new ATOM 0 HA2 GLY A 49 21.261 21.137 18.112 1.00 17.10 H new ATOM 0 HA3 GLY A 49 20.363 21.088 16.838 1.00 17.10 H new ATOM 799 N ILE A 50 19.602 18.912 17.714 1.00 17.85 N ANISOU 799 N ILE A 50 2386 1741 2656 -227 1038 505 N ATOM 800 CA ILE A 50 19.255 17.528 17.935 1.00 17.13 C ANISOU 800 CA ILE A 50 2744 1792 1972 -457 643 456 C ATOM 801 C ILE A 50 19.668 16.739 16.719 1.00 18.28 C ANISOU 801 C ILE A 50 3105 1820 2021 -440 862 533 C ATOM 802 O ILE A 50 19.379 17.103 15.593 1.00 22.14 O ANISOU 802 O ILE A 50 4098 2348 1966 -151 1020 575 O ATOM 803 CB ILE A 50 17.747 17.427 18.244 1.00 19.43 C ANISOU 803 CB ILE A 50 2887 1921 2575 -574 1058 635 C ATOM 804 CG1 ILE A 50 17.325 17.981 19.590 1.00 21.02 C ANISOU 804 CG1 ILE A 50 2532 2707 2748 121 662 272 C ATOM 805 CG2 ILE A 50 17.336 15.964 18.139 1.00 27.63 C ANISOU 805 CG2 ILE A 50 4489 2755 3253 -2010 433 51 C ATOM 806 CD1 ILE A 50 17.794 17.263 20.803 1.00 21.60 C ANISOU 806 CD1 ILE A 50 4023 1628 2557 -414 -220 -289 C ATOM 0 H ILE A 50 18.949 19.472 17.733 1.00 17.85 H new ATOM 0 HA ILE A 50 19.721 17.156 18.700 1.00 17.13 H new ATOM 0 HB ILE A 50 17.295 17.985 17.592 1.00 19.43 H new ATOM 0 HG12 ILE A 50 17.634 18.899 19.647 1.00 21.02 H new ATOM 0 HG13 ILE A 50 16.356 18.006 19.613 1.00 21.02 H new ATOM 0 HG21 ILE A 50 16.389 15.879 18.330 1.00 27.63 H new ATOM 0 HG22 ILE A 50 17.514 15.641 17.242 1.00 27.63 H new ATOM 0 HG23 ILE A 50 17.843 15.439 18.778 1.00 27.63 H new ATOM 0 HD11 ILE A 50 17.460 17.712 21.595 1.00 21.60 H new ATOM 0 HD12 ILE A 50 17.465 16.351 20.787 1.00 21.60 H new ATOM 0 HD13 ILE A 50 18.764 17.257 20.821 1.00 21.60 H new ATOM 818 N GLY A 51 20.365 15.635 16.950 1.00 21.44 N ANISOU 818 N GLY A 51 3383 2114 2651 -57 487 79 N ATOM 819 CA GLY A 51 20.775 14.807 15.828 1.00 23.94 C ANISOU 819 CA GLY A 51 3880 1894 3321 -739 1130 -299 C ATOM 820 C GLY A 51 22.079 15.231 15.208 1.00 20.04 C ANISOU 820 C GLY A 51 3067 1390 3157 -51 562 -176 C ATOM 821 O GLY A 51 22.537 14.608 14.268 1.00 25.10 O ANISOU 821 O GLY A 51 3434 1776 4327 -330 1148 -996 O ATOM 0 H GLY A 51 20.605 15.354 17.726 1.00 21.44 H new ATOM 0 HA2 GLY A 51 20.852 13.887 16.126 1.00 23.94 H new ATOM 0 HA3 GLY A 51 20.082 14.828 15.150 1.00 23.94 H new ATOM 825 N GLY A 52 22.707 16.309 15.658 1.00 17.02 N ANISOU 825 N GLY A 52 3269 1283 1917 -157 649 303 N ATOM 826 CA GLY A 52 24.007 16.651 15.107 1.00 16.25 C ANISOU 826 CA GLY A 52 3035 1163 1978 103 551 399 C ATOM 827 C GLY A 52 23.974 17.911 14.270 1.00 13.66 C ANISOU 827 C GLY A 52 2201 1210 1778 135 363 347 C ATOM 828 O GLY A 52 23.204 18.821 14.547 1.00 15.65 O ANISOU 828 O GLY A 52 2442 1402 2103 335 621 354 O ATOM 0 H GLY A 52 22.408 16.841 16.264 1.00 17.02 H new ATOM 0 HA2 GLY A 52 24.641 16.765 15.832 1.00 16.25 H new ATOM 0 HA3 GLY A 52 24.327 15.914 14.563 1.00 16.25 H new ATOM 832 N PHE A 53 24.822 17.937 13.236 1.00 12.49 N ANISOU 832 N PHE A 53 1985 1193 1568 152 146 202 N ATOM 833 CA PHE A 53 25.035 19.132 12.460 1.00 12.11 C ANISOU 833 CA PHE A 53 1777 1462 1363 175 143 295 C ATOM 834 C PHE A 53 24.628 18.950 11.005 1.00 12.82 C ANISOU 834 C PHE A 53 2097 1321 1451 436 -22 16 C ATOM 835 O PHE A 53 24.747 17.847 10.498 1.00 14.95 O ANISOU 835 O PHE A 53 2601 1131 1950 87 -114 -6 O ATOM 836 CB PHE A 53 26.515 19.484 12.491 1.00 11.60 C ANISOU 836 CB PHE A 53 1696 1229 1482 342 221 187 C ATOM 837 CG PHE A 53 26.993 19.945 13.848 1.00 12.43 C ANISOU 837 CG PHE A 53 1667 1568 1487 420 78 248 C ATOM 838 CD1 PHE A 53 27.240 19.046 14.870 1.00 14.06 C ANISOU 838 CD1 PHE A 53 1644 2032 1665 389 -57 465 C ATOM 839 CD2 PHE A 53 27.211 21.291 14.101 1.00 12.39 C ANISOU 839 CD2 PHE A 53 1332 1653 1723 469 -78 -46 C ATOM 840 CE1 PHE A 53 27.695 19.482 16.104 1.00 15.99 C ANISOU 840 CE1 PHE A 53 1705 2812 1560 78 -28 415 C ATOM 841 CE2 PHE A 53 27.646 21.757 15.323 1.00 14.41 C ANISOU 841 CE2 PHE A 53 1347 2363 1765 26 1 -143 C ATOM 842 CZ PHE A 53 27.883 20.844 16.309 1.00 16.26 C ANISOU 842 CZ PHE A 53 1505 3029 1644 -320 -46 174 C ATOM 0 H PHE A 53 25.282 17.259 12.976 1.00 12.49 H new ATOM 0 HA PHE A 53 24.490 19.834 12.848 1.00 12.11 H new ATOM 0 HB2 PHE A 53 27.031 18.709 12.220 1.00 11.60 H new ATOM 0 HB3 PHE A 53 26.688 20.182 11.840 1.00 11.60 H new ATOM 0 HD1 PHE A 53 27.099 18.138 14.727 1.00 14.06 H new ATOM 0 HD2 PHE A 53 27.057 21.904 13.419 1.00 12.39 H new ATOM 0 HE1 PHE A 53 27.872 18.873 16.784 1.00 15.99 H new ATOM 0 HE2 PHE A 53 27.774 22.666 15.471 1.00 14.41 H new ATOM 0 HZ PHE A 53 28.178 21.141 17.140 1.00 16.26 H new ATOM 852 N ILE A 54 24.239 20.078 10.409 1.00 12.05 N ANISOU 852 N ILE A 54 1946 1256 1376 209 -27 59 N ATOM 853 CA ILE A 54 24.154 20.132 8.954 1.00 12.27 C ANISOU 853 CA ILE A 54 1850 1384 1427 10 -191 99 C ATOM 854 C ILE A 54 24.941 21.338 8.440 1.00 11.52 C ANISOU 854 C ILE A 54 1456 1601 1319 -76 -212 55 C ATOM 855 O ILE A 54 25.150 22.336 9.155 1.00 12.02 O ANISOU 855 O ILE A 54 1657 1464 1448 -3 -153 0 O ATOM 856 CB ILE A 54 22.707 20.204 8.424 1.00 12.83 C ANISOU 856 CB ILE A 54 1753 1357 1764 -292 -256 -39 C ATOM 857 CG1 ILE A 54 21.968 21.444 8.944 1.00 12.85 C ANISOU 857 CG1 ILE A 54 1398 2026 1460 -143 -140 -286 C ATOM 858 CG2 ILE A 54 21.967 18.938 8.738 1.00 16.59 C ANISOU 858 CG2 ILE A 54 2485 1942 1878 -782 94 119 C ATOM 859 CD1 ILE A 54 20.614 21.722 8.339 1.00 16.00 C ANISOU 859 CD1 ILE A 54 1749 2617 1711 103 -452 363 C ATOM 0 H ILE A 54 24.026 20.804 10.818 1.00 12.05 H new ATOM 0 HA ILE A 54 24.533 19.303 8.624 1.00 12.27 H new ATOM 0 HB ILE A 54 22.747 20.293 7.459 1.00 12.83 H new ATOM 0 HG12 ILE A 54 21.859 21.353 9.904 1.00 12.85 H new ATOM 0 HG13 ILE A 54 22.532 22.219 8.795 1.00 12.85 H new ATOM 0 HG21 ILE A 54 21.061 19.000 8.398 1.00 16.59 H new ATOM 0 HG22 ILE A 54 22.418 18.187 8.320 1.00 16.59 H new ATOM 0 HG23 ILE A 54 21.944 18.806 9.699 1.00 16.59 H new ATOM 0 HD11 ILE A 54 20.240 22.523 8.738 1.00 16.00 H new ATOM 0 HD12 ILE A 54 20.707 21.851 7.382 1.00 16.00 H new ATOM 0 HD13 ILE A 54 20.024 20.971 8.508 1.00 16.00 H new ATOM 871 N LYS A 55 25.366 21.206 7.202 1.00 11.91 N ANISOU 871 N LYS A 55 1511 1529 1485 256 -25 52 N ATOM 872 CA LYS A 55 26.078 22.273 6.508 1.00 11.72 C ANISOU 872 CA LYS A 55 1643 1563 1247 117 -54 17 C ATOM 873 C LYS A 55 25.049 23.104 5.776 1.00 11.13 C ANISOU 873 C LYS A 55 1463 1540 1226 1 8 -6 C ATOM 874 O LYS A 55 24.145 22.596 5.116 1.00 12.08 O ANISOU 874 O LYS A 55 1630 1532 1429 -41 -181 79 O ATOM 875 CB LYS A 55 27.057 21.690 5.513 1.00 12.56 C ANISOU 875 CB LYS A 55 1432 1704 1637 1 -27 -154 C ATOM 876 CG LYS A 55 27.923 22.722 4.849 1.00 14.55 C ANISOU 876 CG LYS A 55 1487 1916 2126 137 231 217 C ATOM 877 CD LYS A 55 28.885 21.982 3.894 1.00 25.78 C ANISOU 877 CD LYS A 55 2139 3699 3957 172 1485 -421 C ATOM 878 CE LYS A 55 29.339 22.914 2.797 1.00 35.16 C ANISOU 878 CE LYS A 55 3969 6410 2979 51 1739 112 C ATOM 879 NZ LYS A 55 29.879 22.079 1.666 1.00 56.40 N ANISOU 879 NZ LYS A 55 7376 10229 3825 5389 2583 618 N ATOM 0 H LYS A 55 25.253 20.495 6.732 1.00 11.91 H new ATOM 0 HA LYS A 55 26.575 22.813 7.142 1.00 11.72 H new ATOM 0 HB2 LYS A 55 27.623 21.046 5.967 1.00 12.56 H new ATOM 0 HB3 LYS A 55 26.565 21.205 4.832 1.00 12.56 H new ATOM 0 HG2 LYS A 55 27.379 23.358 4.359 1.00 14.55 H new ATOM 0 HG3 LYS A 55 28.421 23.226 5.511 1.00 14.55 H new ATOM 0 HD2 LYS A 55 29.652 21.652 4.387 1.00 25.78 H new ATOM 0 HD3 LYS A 55 28.441 21.210 3.510 1.00 25.78 H new ATOM 0 HE2 LYS A 55 28.599 23.462 2.490 1.00 35.16 H new ATOM 0 HE3 LYS A 55 30.022 23.519 3.127 1.00 35.16 H new ATOM 0 HZ1 LYS A 55 30.153 22.612 1.008 1.00 56.40 H new ATOM 0 HZ2 LYS A 55 30.565 21.592 1.957 1.00 56.40 H new ATOM 0 HZ3 LYS A 55 29.239 21.539 1.364 1.00 56.40 H new ATOM 893 N VAL A 56 25.195 24.407 5.893 1.00 10.64 N ANISOU 893 N VAL A 56 1251 1522 1270 73 -32 -71 N ATOM 894 CA VAL A 56 24.300 25.368 5.300 1.00 10.15 C ANISOU 894 CA VAL A 56 1207 1517 1133 -29 -109 -106 C ATOM 895 C VAL A 56 25.101 26.499 4.646 1.00 11.00 C ANISOU 895 C VAL A 56 1522 1516 1141 -191 -113 -116 C ATOM 896 O VAL A 56 26.309 26.606 4.882 1.00 13.01 O ANISOU 896 O VAL A 56 1521 1827 1594 -313 -225 141 O ATOM 897 CB VAL A 56 23.325 25.950 6.353 1.00 10.70 C ANISOU 897 CB VAL A 56 1518 1596 953 291 -73 160 C ATOM 898 CG1 VAL A 56 22.478 24.858 6.977 1.00 12.87 C ANISOU 898 CG1 VAL A 56 1723 1847 1317 298 190 400 C ATOM 899 CG2 VAL A 56 24.101 26.697 7.414 1.00 13.24 C ANISOU 899 CG2 VAL A 56 2143 1617 1269 512 -256 -261 C ATOM 0 H VAL A 56 25.839 24.767 6.335 1.00 10.64 H new ATOM 0 HA VAL A 56 23.776 24.913 4.623 1.00 10.15 H new ATOM 0 HB VAL A 56 22.725 26.568 5.908 1.00 10.70 H new ATOM 0 HG11 VAL A 56 21.878 25.248 7.631 1.00 12.87 H new ATOM 0 HG12 VAL A 56 21.960 24.416 6.286 1.00 12.87 H new ATOM 0 HG13 VAL A 56 23.054 24.211 7.413 1.00 12.87 H new ATOM 0 HG21 VAL A 56 23.486 27.059 8.070 1.00 13.24 H new ATOM 0 HG22 VAL A 56 24.719 26.090 7.851 1.00 13.24 H new ATOM 0 HG23 VAL A 56 24.597 27.422 7.002 1.00 13.24 H new ATOM 909 N ARG A 57 24.443 27.286 3.829 1.00 11.42 N ANISOU 909 N ARG A 57 1452 1610 1277 -53 -11 -38 N ATOM 910 CA ARG A 57 25.030 28.476 3.261 1.00 10.53 C ANISOU 910 CA ARG A 57 1117 1699 1187 95 -13 61 C ATOM 911 C ARG A 57 24.497 29.706 3.980 1.00 10.85 C ANISOU 911 C ARG A 57 1526 1600 999 216 -10 191 C ATOM 912 O ARG A 57 23.281 29.872 4.121 1.00 11.35 O ANISOU 912 O ARG A 57 1561 1422 1329 180 48 47 O ATOM 913 CB ARG A 57 24.716 28.590 1.774 1.00 12.23 C ANISOU 913 CB ARG A 57 1751 1709 1185 269 -81 -41 C ATOM 914 CG ARG A 57 25.086 27.394 0.952 1.00 16.28 C ANISOU 914 CG ARG A 57 2647 2091 1445 569 364 -256 C ATOM 915 CD ARG A 57 24.942 27.634 -0.538 1.00 17.01 C ANISOU 915 CD ARG A 57 2784 2268 1412 289 144 -332 C ATOM 916 NE ARG A 57 23.652 28.118 -0.990 1.00 17.75 N ANISOU 916 NE ARG A 57 2206 3036 1503 -370 46 -336 N ATOM 917 CZ ARG A 57 22.514 27.442 -1.082 1.00 24.04 C ANISOU 917 CZ ARG A 57 2938 4790 1405 -1538 491 -869 C ATOM 918 NH1 ARG A 57 22.474 26.185 -0.727 1.00 31.72 N ANISOU 918 NH1 ARG A 57 4754 4399 2899 -2395 1409 -1518 N ATOM 919 NH2 ARG A 57 21.415 28.031 -1.519 1.00 30.98 N ANISOU 919 NH2 ARG A 57 2086 6762 2922 -1512 277 -1623 N ATOM 0 H ARG A 57 23.631 27.144 3.584 1.00 11.42 H new ATOM 0 HA ARG A 57 25.992 28.417 3.370 1.00 10.53 H new ATOM 0 HB2 ARG A 57 23.766 28.755 1.670 1.00 12.23 H new ATOM 0 HB3 ARG A 57 25.179 29.365 1.419 1.00 12.23 H new ATOM 0 HG2 ARG A 57 26.003 27.144 1.147 1.00 16.28 H new ATOM 0 HG3 ARG A 57 24.527 26.645 1.210 1.00 16.28 H new ATOM 0 HD2 ARG A 57 25.619 28.273 -0.810 1.00 17.01 H new ATOM 0 HD3 ARG A 57 25.134 26.803 -1.000 1.00 17.01 H new ATOM 0 HE ARG A 57 23.621 28.944 -1.227 1.00 17.75 H new ATOM 0 HH11 ARG A 57 23.184 25.798 -0.435 1.00 31.72 H new ATOM 0 HH12 ARG A 57 21.738 25.745 -0.786 1.00 31.72 H new ATOM 0 HH21 ARG A 57 21.433 28.860 -1.747 1.00 30.98 H new ATOM 0 HH22 ARG A 57 20.682 27.585 -1.575 1.00 30.98 H new ATOM 933 N GLN A 58 25.380 30.568 4.392 1.00 11.47 N ANISOU 933 N GLN A 58 1448 1507 1403 214 171 129 N ATOM 934 CA GLN A 58 25.060 31.778 5.097 1.00 10.78 C ANISOU 934 CA GLN A 58 1412 1464 1221 233 114 209 C ATOM 935 C GLN A 58 24.994 32.980 4.163 1.00 10.74 C ANISOU 935 C GLN A 58 1346 1379 1357 -71 40 213 C ATOM 936 O GLN A 58 26.004 33.333 3.545 1.00 13.65 O ANISOU 936 O GLN A 58 1627 1664 1895 -136 391 292 O ATOM 937 CB GLN A 58 26.120 32.052 6.138 1.00 11.05 C ANISOU 937 CB GLN A 58 1280 1219 1701 156 -51 234 C ATOM 938 CG GLN A 58 25.811 33.290 6.933 1.00 12.87 C ANISOU 938 CG GLN A 58 1891 1344 1654 14 87 111 C ATOM 939 CD GLN A 58 26.864 33.685 7.913 1.00 15.80 C ANISOU 939 CD GLN A 58 2252 1663 2088 -64 -280 -90 C ATOM 940 OE1 GLN A 58 27.437 32.788 8.543 1.00 22.57 O ANISOU 940 OE1 GLN A 58 3370 1747 3457 23 -1586 -114 O ATOM 941 NE2 GLN A 58 27.070 34.993 8.045 1.00 20.32 N ANISOU 941 NE2 GLN A 58 2347 1609 3765 230 -755 -464 N ATOM 0 H GLN A 58 26.224 30.464 4.265 1.00 11.47 H new ATOM 0 HA GLN A 58 24.190 31.652 5.507 1.00 10.78 H new ATOM 0 HB2 GLN A 58 26.190 31.292 6.736 1.00 11.05 H new ATOM 0 HB3 GLN A 58 26.982 32.152 5.704 1.00 11.05 H new ATOM 0 HG2 GLN A 58 25.667 34.026 6.318 1.00 12.87 H new ATOM 0 HG3 GLN A 58 24.978 33.153 7.411 1.00 12.87 H new ATOM 0 HE21 GLN A 58 26.625 35.549 7.563 1.00 20.32 H new ATOM 0 HE22 GLN A 58 27.649 35.282 8.612 1.00 20.32 H new ATOM 950 N TYR A 59 23.841 33.592 4.078 1.00 10.97 N ANISOU 950 N TYR A 59 1590 1074 1505 99 109 90 N ATOM 951 CA TYR A 59 23.604 34.806 3.314 1.00 12.14 C ANISOU 951 CA TYR A 59 1692 1156 1763 107 191 209 C ATOM 952 C TYR A 59 23.302 35.932 4.285 1.00 12.19 C ANISOU 952 C TYR A 59 1703 1024 1904 81 296 259 C ATOM 953 O TYR A 59 22.574 35.716 5.242 1.00 13.60 O ANISOU 953 O TYR A 59 2167 1295 1703 -75 328 83 O ATOM 954 CB TYR A 59 22.415 34.671 2.390 1.00 12.61 C ANISOU 954 CB TYR A 59 1711 1353 1727 354 121 308 C ATOM 955 CG TYR A 59 22.627 33.682 1.275 1.00 12.14 C ANISOU 955 CG TYR A 59 1754 1370 1487 285 98 393 C ATOM 956 CD1 TYR A 59 22.370 32.320 1.461 1.00 11.63 C ANISOU 956 CD1 TYR A 59 1617 1540 1263 -231 114 211 C ATOM 957 CD2 TYR A 59 23.083 34.102 0.044 1.00 13.71 C ANISOU 957 CD2 TYR A 59 2190 1501 1520 -196 70 429 C ATOM 958 CE1 TYR A 59 22.564 31.421 0.473 1.00 13.48 C ANISOU 958 CE1 TYR A 59 1853 1608 1659 -38 176 20 C ATOM 959 CE2 TYR A 59 23.291 33.206 -0.990 1.00 15.48 C ANISOU 959 CE2 TYR A 59 2284 1896 1702 331 474 315 C ATOM 960 CZ TYR A 59 23.017 31.872 -0.750 1.00 16.40 C ANISOU 960 CZ TYR A 59 2736 1790 1704 312 705 -96 C ATOM 961 OH TYR A 59 23.197 30.956 -1.729 1.00 22.09 O ANISOU 961 OH TYR A 59 3774 2580 2039 -89 626 -747 O ATOM 0 H TYR A 59 23.137 33.305 4.479 1.00 10.97 H new ATOM 0 HA TYR A 59 24.395 34.981 2.781 1.00 12.14 H new ATOM 0 HB2 TYR A 59 21.641 34.401 2.909 1.00 12.61 H new ATOM 0 HB3 TYR A 59 22.212 35.539 2.008 1.00 12.61 H new ATOM 0 HD1 TYR A 59 22.058 32.026 2.286 1.00 11.63 H new ATOM 0 HD2 TYR A 59 23.254 35.006 -0.095 1.00 13.71 H new ATOM 0 HE1 TYR A 59 22.396 30.517 0.613 1.00 13.48 H new ATOM 0 HE2 TYR A 59 23.604 33.491 -1.818 1.00 15.48 H new ATOM 0 HH TYR A 59 23.485 31.337 -2.420 1.00 22.09 H new ATOM 971 N ASP A 60 23.850 37.099 4.073 1.00 14.37 N ANISOU 971 N ASP A 60 2119 1112 2228 -74 320 177 N ATOM 972 CA ASP A 60 23.623 38.211 4.954 1.00 14.94 C ANISOU 972 CA ASP A 60 1952 1207 2518 36 173 -46 C ATOM 973 C ASP A 60 22.664 39.230 4.339 1.00 15.50 C ANISOU 973 C ASP A 60 2360 1189 2342 64 212 181 C ATOM 974 O ASP A 60 22.460 39.242 3.130 1.00 15.19 O ANISOU 974 O ASP A 60 1881 1556 2336 -95 318 128 O ATOM 975 CB ASP A 60 24.990 38.870 5.237 1.00 18.19 C ANISOU 975 CB ASP A 60 2370 1496 3046 -350 -125 25 C ATOM 976 CG ASP A 60 25.872 38.038 6.138 1.00 18.56 C ANISOU 976 CG ASP A 60 1877 2278 2896 -339 114 311 C ATOM 977 OD1 ASP A 60 25.358 37.123 6.848 1.00 16.94 O ANISOU 977 OD1 ASP A 60 2308 1648 2479 -180 81 -126 O ATOM 978 OD2 ASP A 60 27.094 38.246 6.210 1.00 25.87 O ANISOU 978 OD2 ASP A 60 1736 3910 4182 -81 515 825 O ATOM 0 H ASP A 60 24.369 37.272 3.409 1.00 14.37 H new ATOM 0 HA ASP A 60 23.213 37.896 5.775 1.00 14.94 H new ATOM 0 HB2 ASP A 60 25.449 39.024 4.397 1.00 18.19 H new ATOM 0 HB3 ASP A 60 24.846 39.738 5.645 1.00 18.19 H new ATOM 983 N GLN A 61 22.099 40.057 5.196 1.00 14.91 N ANISOU 983 N GLN A 61 1860 1592 2213 268 342 388 N ATOM 984 CA GLN A 61 21.270 41.183 4.806 1.00 14.99 C ANISOU 984 CA GLN A 61 2003 1330 2362 129 7 255 C ATOM 985 C GLN A 61 20.135 40.732 3.901 1.00 13.79 C ANISOU 985 C GLN A 61 2352 1091 1797 178 45 133 C ATOM 986 O GLN A 61 19.809 41.287 2.849 1.00 16.78 O ANISOU 986 O GLN A 61 2459 1718 2199 313 25 565 O ATOM 987 CB GLN A 61 22.142 42.273 4.175 1.00 20.18 C ANISOU 987 CB GLN A 61 2620 1667 3382 -304 -241 739 C ATOM 988 CG GLN A 61 23.014 42.946 5.239 1.00 31.33 C ANISOU 988 CG GLN A 61 4784 2768 4352 -1903 -1085 864 C ATOM 989 CD GLN A 61 22.177 43.770 6.206 1.00 39.70 C ANISOU 989 CD GLN A 61 6754 3599 4731 -1480 -1621 -798 C ATOM 990 OE1 GLN A 61 21.812 44.901 5.879 1.00 49.57 O ANISOU 990 OE1 GLN A 61 7757 6277 4800 1799 -1586 392 O ATOM 991 NE2 GLN A 61 21.840 43.259 7.393 1.00 44.08 N ANISOU 991 NE2 GLN A 61 7685 5118 3945 1294 -1493 -630 N ATOM 0 H GLN A 61 22.189 39.978 6.048 1.00 14.91 H new ATOM 0 HA GLN A 61 20.851 41.567 5.592 1.00 14.99 H new ATOM 0 HB2 GLN A 61 22.704 41.886 3.486 1.00 20.18 H new ATOM 0 HB3 GLN A 61 21.580 42.935 3.744 1.00 20.18 H new ATOM 0 HG2 GLN A 61 23.506 42.270 5.730 1.00 31.33 H new ATOM 0 HG3 GLN A 61 23.669 43.517 4.808 1.00 31.33 H new ATOM 0 HE21 GLN A 61 22.100 42.469 7.610 1.00 44.08 H new ATOM 0 HE22 GLN A 61 21.363 43.720 7.940 1.00 44.08 H new ATOM 1000 N ILE A 62 19.475 39.667 4.344 1.00 12.93 N ANISOU 1000 N ILE A 62 2063 1341 1510 119 38 58 N ATOM 1001 CA ILE A 62 18.301 39.152 3.664 1.00 12.68 C ANISOU 1001 CA ILE A 62 1928 1512 1379 233 -4 292 C ATOM 1002 C ILE A 62 17.045 39.637 4.341 1.00 13.79 C ANISOU 1002 C ILE A 62 2052 1682 1504 223 8 -4 C ATOM 1003 O ILE A 62 16.932 39.582 5.560 1.00 14.08 O ANISOU 1003 O ILE A 62 1797 2075 1477 -23 -69 -159 O ATOM 1004 CB ILE A 62 18.324 37.613 3.682 1.00 12.86 C ANISOU 1004 CB ILE A 62 1907 1494 1484 15 77 69 C ATOM 1005 CG1 ILE A 62 19.552 37.109 2.969 1.00 12.35 C ANISOU 1005 CG1 ILE A 62 2049 1302 1342 -116 183 -22 C ATOM 1006 CG2 ILE A 62 17.010 37.048 3.150 1.00 14.10 C ANISOU 1006 CG2 ILE A 62 2054 1947 1355 55 -188 -100 C ATOM 1007 CD1 ILE A 62 19.638 37.493 1.511 1.00 13.67 C ANISOU 1007 CD1 ILE A 62 1884 1770 1539 251 178 327 C ATOM 0 H ILE A 62 19.698 39.225 5.047 1.00 12.93 H new ATOM 0 HA ILE A 62 18.310 39.470 2.748 1.00 12.68 H new ATOM 0 HB ILE A 62 18.391 37.290 4.594 1.00 12.86 H new ATOM 0 HG12 ILE A 62 20.338 37.446 3.427 1.00 12.35 H new ATOM 0 HG13 ILE A 62 19.577 36.142 3.038 1.00 12.35 H new ATOM 0 HG21 ILE A 62 17.043 36.079 3.169 1.00 14.10 H new ATOM 0 HG22 ILE A 62 16.277 37.357 3.705 1.00 14.10 H new ATOM 0 HG23 ILE A 62 16.874 37.349 2.238 1.00 14.10 H new ATOM 0 HD11 ILE A 62 20.453 37.132 1.129 1.00 13.67 H new ATOM 0 HD12 ILE A 62 18.872 37.135 1.036 1.00 13.67 H new ATOM 0 HD13 ILE A 62 19.645 38.460 1.431 1.00 13.67 H new ATOM 1019 N ILE A 63 16.082 40.067 3.564 1.00 15.21 N ANISOU 1019 N ILE A 63 2128 2227 1423 613 29 -219 N ATOM 1020 CA ILE A 63 14.813 40.469 4.134 1.00 17.58 C ANISOU 1020 CA ILE A 63 2228 2588 1864 713 87 -549 C ATOM 1021 C ILE A 63 13.806 39.338 4.146 1.00 18.40 C ANISOU 1021 C ILE A 63 1814 3301 1877 498 -284 -621 C ATOM 1022 O ILE A 63 13.637 38.653 3.147 1.00 19.39 O ANISOU 1022 O ILE A 63 2462 3009 1896 485 -151 -591 O ATOM 1023 CB ILE A 63 14.272 41.654 3.341 1.00 22.70 C ANISOU 1023 CB ILE A 63 2532 3034 3058 1138 -498 -322 C ATOM 1024 CG1 ILE A 63 15.253 42.834 3.389 1.00 26.95 C ANISOU 1024 CG1 ILE A 63 3762 2130 4348 1170 -849 -366 C ATOM 1025 CG2 ILE A 63 12.918 42.048 3.877 1.00 30.71 C ANISOU 1025 CG2 ILE A 63 3310 4932 3425 2246 124 300 C ATOM 1026 CD1 ILE A 63 14.881 43.930 2.432 1.00 29.73 C ANISOU 1026 CD1 ILE A 63 3939 2737 4619 1306 -996 7 C ATOM 0 H ILE A 63 16.136 40.136 2.708 1.00 15.21 H new ATOM 0 HA ILE A 63 14.959 40.722 5.059 1.00 17.58 H new ATOM 0 HB ILE A 63 14.173 41.395 2.411 1.00 22.70 H new ATOM 0 HG12 ILE A 63 15.281 43.191 4.290 1.00 26.95 H new ATOM 0 HG13 ILE A 63 16.146 42.517 3.182 1.00 26.95 H new ATOM 0 HG21 ILE A 63 12.576 42.802 3.371 1.00 30.71 H new ATOM 0 HG22 ILE A 63 12.307 41.300 3.794 1.00 30.71 H new ATOM 0 HG23 ILE A 63 12.999 42.296 4.811 1.00 30.71 H new ATOM 0 HD11 ILE A 63 15.527 44.651 2.498 1.00 29.73 H new ATOM 0 HD12 ILE A 63 14.877 43.582 1.527 1.00 29.73 H new ATOM 0 HD13 ILE A 63 13.998 44.267 2.652 1.00 29.73 H new ATOM 1038 N ILE A 64 13.156 39.128 5.279 1.00 20.08 N ANISOU 1038 N ILE A 64 2246 3107 2276 69 264 -1126 N ATOM 1039 CA ILE A 64 12.108 38.151 5.400 1.00 17.25 C ANISOU 1039 CA ILE A 64 1986 2400 2166 531 -150 -882 C ATOM 1040 C ILE A 64 10.907 38.902 5.988 1.00 18.80 C ANISOU 1040 C ILE A 64 1843 2586 2715 381 -187 -1327 C ATOM 1041 O ILE A 64 11.047 39.615 6.975 1.00 24.93 O ANISOU 1041 O ILE A 64 1648 3896 3927 443 -280 -2598 O ATOM 1042 CB ILE A 64 12.446 36.909 6.269 1.00 18.95 C ANISOU 1042 CB ILE A 64 2094 3267 1838 651 -394 -424 C ATOM 1043 CG1 ILE A 64 13.661 36.095 5.850 1.00 19.93 C ANISOU 1043 CG1 ILE A 64 2719 2116 2738 551 42 -106 C ATOM 1044 CG2 ILE A 64 11.249 35.959 6.315 1.00 21.67 C ANISOU 1044 CG2 ILE A 64 2594 3423 2216 333 -490 437 C ATOM 1045 CD1 ILE A 64 13.931 34.831 6.639 1.00 20.57 C ANISOU 1045 CD1 ILE A 64 2668 2323 2824 17 -465 219 C ATOM 0 H ILE A 64 13.318 39.558 6.006 1.00 20.08 H new ATOM 0 HA ILE A 64 11.941 37.773 4.522 1.00 17.25 H new ATOM 0 HB ILE A 64 12.663 37.292 7.133 1.00 18.95 H new ATOM 0 HG12 ILE A 64 13.558 35.854 4.916 1.00 19.93 H new ATOM 0 HG13 ILE A 64 14.444 36.664 5.911 1.00 19.93 H new ATOM 0 HG21 ILE A 64 11.469 35.187 6.859 1.00 21.67 H new ATOM 0 HG22 ILE A 64 10.486 36.418 6.699 1.00 21.67 H new ATOM 0 HG23 ILE A 64 11.032 35.668 5.415 1.00 21.67 H new ATOM 0 HD11 ILE A 64 14.723 34.394 6.289 1.00 20.57 H new ATOM 0 HD12 ILE A 64 14.071 35.056 7.572 1.00 20.57 H new ATOM 0 HD13 ILE A 64 13.172 34.233 6.562 1.00 20.57 H new ATOM 1057 N GLU A 65 9.759 38.708 5.352 1.00 13.00 N ANISOU 1057 N GLU A 65 1814 1978 1148 161 96 -29 N ATOM 1058 CA GLU A 65 8.537 39.169 5.969 1.00 13.51 C ANISOU 1058 CA GLU A 65 1834 1808 1492 100 46 -147 C ATOM 1059 C GLU A 65 7.943 38.034 6.768 1.00 13.61 C ANISOU 1059 C GLU A 65 1732 1858 1581 -25 212 -309 C ATOM 1060 O GLU A 65 7.744 36.982 6.203 1.00 15.45 O ANISOU 1060 O GLU A 65 2428 1859 1584 -182 -45 -196 O ATOM 1061 CB GLU A 65 7.555 39.601 4.888 1.00 18.25 C ANISOU 1061 CB GLU A 65 1910 2796 2229 284 -260 276 C ATOM 1062 CG GLU A 65 6.400 40.410 5.494 1.00 25.46 C ANISOU 1062 CG GLU A 65 2348 4515 2809 1179 -6 422 C ATOM 1063 CD GLU A 65 5.491 40.919 4.381 1.00 32.37 C ANISOU 1063 CD GLU A 65 3129 5847 3323 2160 146 1417 C ATOM 1064 OE1 GLU A 65 4.529 41.611 4.711 1.00 45.17 O ANISOU 1064 OE1 GLU A 65 3835 8605 4721 3677 1482 3080 O ATOM 1065 OE2 GLU A 65 5.756 40.618 3.183 1.00 39.87 O ANISOU 1065 OE2 GLU A 65 5051 6806 3292 2841 -1257 135 O ATOM 0 H GLU A 65 9.671 38.324 4.588 1.00 13.00 H new ATOM 0 HA GLU A 65 8.721 39.923 6.551 1.00 13.51 H new ATOM 0 HB2 GLU A 65 8.015 40.135 4.222 1.00 18.25 H new ATOM 0 HB3 GLU A 65 7.204 38.820 4.432 1.00 18.25 H new ATOM 0 HG2 GLU A 65 5.894 39.857 6.110 1.00 25.46 H new ATOM 0 HG3 GLU A 65 6.750 41.157 6.005 1.00 25.46 H new ATOM 1072 N ILE A 66 7.772 38.260 8.054 1.00 13.23 N ANISOU 1072 N ILE A 66 2092 1524 1413 181 -178 33 N ATOM 1073 CA ILE A 66 7.377 37.243 8.996 1.00 13.23 C ANISOU 1073 CA ILE A 66 1963 1437 1628 122 -114 -23 C ATOM 1074 C ILE A 66 6.008 37.616 9.524 1.00 14.90 C ANISOU 1074 C ILE A 66 2092 2022 1548 139 -26 -153 C ATOM 1075 O ILE A 66 5.923 38.547 10.309 1.00 15.96 O ANISOU 1075 O ILE A 66 2338 2054 1673 198 204 -224 O ATOM 1076 CB ILE A 66 8.374 37.113 10.141 1.00 13.04 C ANISOU 1076 CB ILE A 66 2129 1576 1250 156 59 85 C ATOM 1077 CG1 ILE A 66 9.787 36.866 9.605 1.00 14.53 C ANISOU 1077 CG1 ILE A 66 1870 1976 1674 -29 -106 157 C ATOM 1078 CG2 ILE A 66 7.954 36.034 11.114 1.00 14.10 C ANISOU 1078 CG2 ILE A 66 2424 1568 1367 -178 103 -2 C ATOM 1079 CD1 ILE A 66 10.903 37.165 10.605 1.00 16.48 C ANISOU 1079 CD1 ILE A 66 2400 2072 1791 61 -571 337 C ATOM 0 H ILE A 66 7.886 39.033 8.412 1.00 13.23 H new ATOM 0 HA ILE A 66 7.353 36.381 8.552 1.00 13.23 H new ATOM 0 HB ILE A 66 8.384 37.952 10.628 1.00 13.04 H new ATOM 0 HG12 ILE A 66 9.858 35.940 9.326 1.00 14.53 H new ATOM 0 HG13 ILE A 66 9.921 37.412 8.814 1.00 14.53 H new ATOM 0 HG21 ILE A 66 8.605 35.973 11.831 1.00 14.10 H new ATOM 0 HG22 ILE A 66 7.085 36.253 11.485 1.00 14.10 H new ATOM 0 HG23 ILE A 66 7.903 35.183 10.651 1.00 14.10 H new ATOM 0 HD11 ILE A 66 11.763 36.985 10.194 1.00 16.48 H new ATOM 0 HD12 ILE A 66 10.860 38.097 10.869 1.00 16.48 H new ATOM 0 HD13 ILE A 66 10.796 36.602 11.388 1.00 16.48 H new ATOM 1091 N ALA A 67 5.021 36.860 9.059 1.00 15.62 N ANISOU 1091 N ALA A 67 1910 2345 1679 92 -23 -120 N ATOM 1092 CA ALA A 67 3.642 37.152 9.459 1.00 17.49 C ANISOU 1092 CA ALA A 67 2091 2529 2023 204 344 -30 C ATOM 1093 C ALA A 67 3.334 38.628 9.317 1.00 17.59 C ANISOU 1093 C ALA A 67 2056 2478 2148 211 374 -240 C ATOM 1094 O ALA A 67 2.735 39.253 10.176 1.00 19.39 O ANISOU 1094 O ALA A 67 1920 3044 2404 496 165 -603 O ATOM 1095 CB ALA A 67 3.436 36.665 10.889 1.00 21.97 C ANISOU 1095 CB ALA A 67 3535 2763 2049 264 933 -92 C ATOM 0 H ALA A 67 5.118 36.192 8.527 1.00 15.62 H new ATOM 0 HA ALA A 67 3.025 36.685 8.874 1.00 17.49 H new ATOM 0 HB1 ALA A 67 2.526 36.852 11.167 1.00 21.97 H new ATOM 0 HB2 ALA A 67 3.596 35.709 10.932 1.00 21.97 H new ATOM 0 HB3 ALA A 67 4.055 37.123 11.479 1.00 21.97 H new ATOM 1101 N GLY A 68 3.830 39.211 8.245 1.00 17.76 N ANISOU 1101 N GLY A 68 1731 2551 2464 258 183 145 N ATOM 1102 CA GLY A 68 3.503 40.620 7.980 1.00 22.00 C ANISOU 1102 CA GLY A 68 2040 2887 3433 467 -898 604 C ATOM 1103 C GLY A 68 4.518 41.626 8.487 1.00 20.17 C ANISOU 1103 C GLY A 68 2579 2267 2818 660 -848 356 C ATOM 1104 O GLY A 68 4.390 42.809 8.230 1.00 24.65 O ANISOU 1104 O GLY A 68 2891 2363 4110 958 -866 631 O ATOM 0 H GLY A 68 4.343 38.833 7.667 1.00 17.76 H new ATOM 0 HA2 GLY A 68 3.402 40.739 7.023 1.00 22.00 H new ATOM 0 HA3 GLY A 68 2.643 40.819 8.383 1.00 22.00 H new ATOM 1108 N HIS A 69 5.530 41.175 9.219 1.00 15.24 N ANISOU 1108 N HIS A 69 1838 2160 1793 439 -97 400 N ATOM 1109 CA HIS A 69 6.519 42.002 9.871 1.00 15.54 C ANISOU 1109 CA HIS A 69 1859 1731 2313 435 -87 343 C ATOM 1110 C HIS A 69 7.862 41.844 9.151 1.00 16.74 C ANISOU 1110 C HIS A 69 1857 1875 2630 441 -17 105 C ATOM 1111 O HIS A 69 8.411 40.753 9.136 1.00 17.67 O ANISOU 1111 O HIS A 69 2055 1879 2778 477 -36 -134 O ATOM 1112 CB HIS A 69 6.735 41.602 11.341 1.00 18.46 C ANISOU 1112 CB HIS A 69 2328 2646 2040 945 -335 -232 C ATOM 1113 CG HIS A 69 5.512 41.874 12.178 1.00 19.19 C ANISOU 1113 CG HIS A 69 2729 2197 2366 788 167 156 C ATOM 1114 ND1 HIS A 69 5.410 42.912 13.049 1.00 23.10 N ANISOU 1114 ND1 HIS A 69 2902 2102 3773 612 1012 -275 N ATOM 1115 CD2 HIS A 69 4.333 41.264 12.261 1.00 20.40 C ANISOU 1115 CD2 HIS A 69 2846 2822 2084 559 267 -81 C ATOM 1116 CE1 HIS A 69 4.227 42.937 13.648 1.00 24.48 C ANISOU 1116 CE1 HIS A 69 3223 2085 3993 -142 1443 -427 C ATOM 1117 NE2 HIS A 69 3.536 41.941 13.170 1.00 19.89 N ANISOU 1117 NE2 HIS A 69 2858 2145 2554 546 272 -209 N ATOM 0 H HIS A 69 5.660 40.335 9.352 1.00 15.24 H new ATOM 0 HA HIS A 69 6.194 42.915 9.838 1.00 15.54 H new ATOM 0 HB2 HIS A 69 6.958 40.659 11.391 1.00 18.46 H new ATOM 0 HB3 HIS A 69 7.490 42.092 11.702 1.00 18.46 H new ATOM 0 HD2 HIS A 69 4.084 40.505 11.785 1.00 20.40 H new ATOM 0 HE1 HIS A 69 3.944 43.550 14.288 1.00 24.48 H new ATOM 0 HE2 HIS A 69 2.727 41.739 13.382 1.00 19.89 H new ATOM 1125 N LYS A 70 8.384 42.894 8.559 1.00 18.91 N ANISOU 1125 N LYS A 70 2050 2075 3060 416 381 220 N ATOM 1126 CA LYS A 70 9.643 42.740 7.847 1.00 19.36 C ANISOU 1126 CA LYS A 70 1986 2847 2522 582 179 365 C ATOM 1127 C LYS A 70 10.800 42.795 8.831 1.00 19.76 C ANISOU 1127 C LYS A 70 2193 2397 2919 693 -77 -643 C ATOM 1128 O LYS A 70 10.770 43.548 9.815 1.00 22.84 O ANISOU 1128 O LYS A 70 2760 2533 3385 754 163 -961 O ATOM 1129 CB LYS A 70 9.703 43.821 6.776 1.00 29.34 C ANISOU 1129 CB LYS A 70 3697 4386 3065 947 892 1360 C ATOM 1130 CG LYS A 70 8.580 43.613 5.763 1.00 40.39 C ANISOU 1130 CG LYS A 70 5959 6251 3136 962 -542 2062 C ATOM 1131 CD LYS A 70 8.586 44.755 4.742 1.00 50.77 C ANISOU 1131 CD LYS A 70 7987 6952 4351 49 -987 2967 C ATOM 1132 CE LYS A 70 7.854 44.382 3.469 1.00 53.33 C ANISOU 1132 CE LYS A 70 8362 7997 3905 -548 -1062 3882 C ATOM 1133 NZ LYS A 70 8.665 44.801 2.279 1.00 61.09 N ANISOU 1133 NZ LYS A 70 7558 11284 4367 -1398 -639 3101 N ATOM 0 H LYS A 70 8.044 43.684 8.552 1.00 18.91 H new ATOM 0 HA LYS A 70 9.709 41.878 7.408 1.00 19.36 H new ATOM 0 HB2 LYS A 70 9.622 44.697 7.185 1.00 29.34 H new ATOM 0 HB3 LYS A 70 10.563 43.795 6.327 1.00 29.34 H new ATOM 0 HG2 LYS A 70 8.694 42.763 5.311 1.00 40.39 H new ATOM 0 HG3 LYS A 70 7.724 43.579 6.218 1.00 40.39 H new ATOM 0 HD2 LYS A 70 8.172 45.540 5.134 1.00 50.77 H new ATOM 0 HD3 LYS A 70 9.502 44.993 4.530 1.00 50.77 H new ATOM 0 HE2 LYS A 70 7.697 43.425 3.444 1.00 53.33 H new ATOM 0 HE3 LYS A 70 6.985 44.812 3.447 1.00 53.33 H new ATOM 0 HZ1 LYS A 70 8.233 44.581 1.533 1.00 61.09 H new ATOM 0 HZ2 LYS A 70 8.790 45.682 2.300 1.00 61.09 H new ATOM 0 HZ3 LYS A 70 9.454 44.389 2.297 1.00 61.09 H new ATOM 1147 N ALA A 71 11.781 41.958 8.532 1.00 16.33 N ANISOU 1147 N ALA A 71 1941 2022 2241 375 13 -444 N ATOM 1148 CA ALA A 71 13.010 41.835 9.308 1.00 16.74 C ANISOU 1148 CA ALA A 71 1953 2429 1977 532 133 -767 C ATOM 1149 C ALA A 71 14.152 41.690 8.336 1.00 15.34 C ANISOU 1149 C ALA A 71 1966 2305 1559 279 62 -508 C ATOM 1150 O ALA A 71 13.932 41.106 7.238 1.00 22.37 O ANISOU 1150 O ALA A 71 2043 4196 2263 -330 364 -1647 O ATOM 1151 CB ALA A 71 12.935 40.665 10.279 1.00 23.23 C ANISOU 1151 CB ALA A 71 2767 4587 1473 1060 536 309 C ATOM 0 H ALA A 71 11.752 41.430 7.854 1.00 16.33 H new ATOM 0 HA ALA A 71 13.146 42.625 9.854 1.00 16.74 H new ATOM 0 HB1 ALA A 71 13.763 40.607 10.781 1.00 23.23 H new ATOM 0 HB2 ALA A 71 12.195 40.800 10.892 1.00 23.23 H new ATOM 0 HB3 ALA A 71 12.799 39.842 9.784 1.00 23.23 H new ATOM 1157 N ILE A 72 15.319 42.194 8.666 1.00 13.56 N ANISOU 1157 N ILE A 72 2110 1546 1495 263 1 -263 N ATOM 1158 CA ILE A 72 16.479 41.901 7.840 1.00 12.68 C ANISOU 1158 CA ILE A 72 2021 1031 1767 -1 62 -143 C ATOM 1159 C ILE A 72 17.554 41.264 8.703 1.00 12.61 C ANISOU 1159 C ILE A 72 1942 1136 1714 -76 131 60 C ATOM 1160 O ILE A 72 17.725 41.594 9.868 1.00 13.05 O ANISOU 1160 O ILE A 72 2156 1052 1752 185 76 -95 O ATOM 1161 CB ILE A 72 16.981 43.167 7.117 1.00 16.11 C ANISOU 1161 CB ILE A 72 2345 1031 2744 449 391 360 C ATOM 1162 CG1 ILE A 72 18.046 42.873 6.069 1.00 18.51 C ANISOU 1162 CG1 ILE A 72 2841 1762 2431 503 622 720 C ATOM 1163 CG2 ILE A 72 17.432 44.220 8.116 1.00 21.37 C ANISOU 1163 CG2 ILE A 72 4311 857 2953 -541 950 352 C ATOM 1164 CD1 ILE A 72 18.340 43.968 5.055 1.00 20.88 C ANISOU 1164 CD1 ILE A 72 4573 1249 2113 345 587 343 C ATOM 0 H ILE A 72 15.466 42.698 9.347 1.00 13.56 H new ATOM 0 HA ILE A 72 16.233 41.272 7.144 1.00 12.68 H new ATOM 0 HB ILE A 72 16.227 43.528 6.625 1.00 16.11 H new ATOM 0 HG12 ILE A 72 18.872 42.660 6.531 1.00 18.51 H new ATOM 0 HG13 ILE A 72 17.779 42.077 5.584 1.00 18.51 H new ATOM 0 HG21 ILE A 72 17.743 45.006 7.640 1.00 21.37 H new ATOM 0 HG22 ILE A 72 16.688 44.463 8.689 1.00 21.37 H new ATOM 0 HG23 ILE A 72 18.154 43.864 8.658 1.00 21.37 H new ATOM 0 HD11 ILE A 72 19.030 43.667 4.444 1.00 20.88 H new ATOM 0 HD12 ILE A 72 17.534 44.172 4.556 1.00 20.88 H new ATOM 0 HD13 ILE A 72 18.644 44.765 5.518 1.00 20.88 H new ATOM 1176 N GLY A 73 18.246 40.306 8.107 1.00 12.46 N ANISOU 1176 N GLY A 73 1888 1420 1427 52 -110 -77 N ATOM 1177 CA GLY A 73 19.369 39.728 8.816 1.00 12.28 C ANISOU 1177 CA GLY A 73 2123 894 1651 -78 -320 -45 C ATOM 1178 C GLY A 73 19.920 38.551 8.046 1.00 11.79 C ANISOU 1178 C GLY A 73 2014 867 1599 -171 -69 46 C ATOM 1179 O GLY A 73 19.687 38.352 6.854 1.00 13.12 O ANISOU 1179 O GLY A 73 2149 1199 1636 225 -96 -77 O ATOM 0 H GLY A 73 18.090 39.987 7.324 1.00 12.46 H new ATOM 0 HA2 GLY A 73 20.062 40.396 8.939 1.00 12.28 H new ATOM 0 HA3 GLY A 73 19.090 39.443 9.700 1.00 12.28 H new ATOM 1183 N THR A 74 20.722 37.787 8.722 1.00 12.08 N ANISOU 1183 N THR A 74 2347 1027 1216 86 140 11 N ATOM 1184 CA THR A 74 21.403 36.628 8.143 1.00 11.56 C ANISOU 1184 CA THR A 74 1806 1286 1302 34 201 -81 C ATOM 1185 C THR A 74 20.456 35.457 8.074 1.00 10.40 C ANISOU 1185 C THR A 74 1761 996 1192 249 172 31 C ATOM 1186 O THR A 74 19.697 35.168 9.010 1.00 12.32 O ANISOU 1186 O THR A 74 2202 1213 1267 14 346 73 O ATOM 1187 CB THR A 74 22.598 36.282 9.021 1.00 12.20 C ANISOU 1187 CB THR A 74 2019 1229 1386 -56 8 88 C ATOM 1188 OG1 THR A 74 23.507 37.374 8.960 1.00 14.61 O ANISOU 1188 OG1 THR A 74 1748 1463 2340 -55 37 90 O ATOM 1189 CG2 THR A 74 23.290 35.025 8.565 1.00 12.77 C ANISOU 1189 CG2 THR A 74 1871 1549 1433 72 24 -160 C ATOM 0 H THR A 74 20.903 37.914 9.553 1.00 12.08 H new ATOM 0 HA THR A 74 21.703 36.834 7.244 1.00 11.56 H new ATOM 0 HB THR A 74 22.290 36.125 9.927 1.00 12.20 H new ATOM 0 HG1 THR A 74 24.040 37.260 8.321 1.00 14.61 H new ATOM 0 HG21 THR A 74 24.043 34.840 9.148 1.00 12.77 H new ATOM 0 HG22 THR A 74 22.667 34.282 8.597 1.00 12.77 H new ATOM 0 HG23 THR A 74 23.607 35.142 7.656 1.00 12.77 H new ATOM 1197 N VAL A 75 20.454 34.833 6.904 1.00 11.00 N ANISOU 1197 N VAL A 75 2049 1052 1080 17 275 132 N ATOM 1198 CA VAL A 75 19.599 33.684 6.681 1.00 10.31 C ANISOU 1198 CA VAL A 75 1601 1214 1102 175 178 -1 C ATOM 1199 C VAL A 75 20.476 32.535 6.200 1.00 9.86 C ANISOU 1199 C VAL A 75 1499 1119 1127 86 226 32 C ATOM 1200 O VAL A 75 21.262 32.724 5.293 1.00 11.15 O ANISOU 1200 O VAL A 75 1617 1247 1373 181 424 124 O ATOM 1201 CB VAL A 75 18.492 33.986 5.675 1.00 11.25 C ANISOU 1201 CB VAL A 75 1883 1298 1092 365 106 136 C ATOM 1202 CG1 VAL A 75 17.727 32.704 5.319 1.00 11.17 C ANISOU 1202 CG1 VAL A 75 1457 1445 1344 306 44 64 C ATOM 1203 CG2 VAL A 75 17.548 35.037 6.251 1.00 12.21 C ANISOU 1203 CG2 VAL A 75 1809 1326 1505 374 207 146 C ATOM 0 H VAL A 75 20.939 35.060 6.231 1.00 11.00 H new ATOM 0 HA VAL A 75 19.155 33.445 7.510 1.00 10.31 H new ATOM 0 HB VAL A 75 18.888 34.334 4.861 1.00 11.25 H new ATOM 0 HG11 VAL A 75 17.028 32.911 4.680 1.00 11.17 H new ATOM 0 HG12 VAL A 75 18.339 32.059 4.931 1.00 11.17 H new ATOM 0 HG13 VAL A 75 17.330 32.330 6.121 1.00 11.17 H new ATOM 0 HG21 VAL A 75 16.845 35.227 5.610 1.00 12.21 H new ATOM 0 HG22 VAL A 75 17.154 34.703 7.072 1.00 12.21 H new ATOM 0 HG23 VAL A 75 18.043 35.850 6.438 1.00 12.21 H new ATOM 1213 N LEU A 76 20.313 31.382 6.791 1.00 10.28 N ANISOU 1213 N LEU A 76 1792 1051 1064 22 58 -15 N ATOM 1214 CA LEU A 76 21.058 30.181 6.425 1.00 9.23 C ANISOU 1214 CA LEU A 76 1492 1071 944 -15 98 -1 C ATOM 1215 C LEU A 76 20.152 29.324 5.557 1.00 8.91 C ANISOU 1215 C LEU A 76 1298 1035 1054 153 86 -39 C ATOM 1216 O LEU A 76 18.965 29.270 5.799 1.00 11.38 O ANISOU 1216 O LEU A 76 1421 1694 1207 -145 205 -326 O ATOM 1217 CB LEU A 76 21.475 29.416 7.630 1.00 9.28 C ANISOU 1217 CB LEU A 76 1487 1052 988 -97 103 -18 C ATOM 1218 CG LEU A 76 22.125 30.260 8.735 1.00 9.87 C ANISOU 1218 CG LEU A 76 1365 1280 1106 -226 -54 -5 C ATOM 1219 CD1 LEU A 76 22.486 29.340 9.901 1.00 11.15 C ANISOU 1219 CD1 LEU A 76 1604 1540 1092 179 62 61 C ATOM 1220 CD2 LEU A 76 23.358 30.963 8.222 1.00 11.22 C ANISOU 1220 CD2 LEU A 76 1587 1616 1059 -388 278 -346 C ATOM 0 H LEU A 76 19.755 31.259 7.434 1.00 10.28 H new ATOM 0 HA LEU A 76 21.864 30.431 5.947 1.00 9.23 H new ATOM 0 HB2 LEU A 76 20.698 28.968 7.998 1.00 9.28 H new ATOM 0 HB3 LEU A 76 22.099 28.725 7.359 1.00 9.28 H new ATOM 0 HG LEU A 76 21.500 30.941 9.030 1.00 9.87 H new ATOM 0 HD11 LEU A 76 22.898 29.860 10.608 1.00 11.15 H new ATOM 0 HD12 LEU A 76 21.682 28.915 10.239 1.00 11.15 H new ATOM 0 HD13 LEU A 76 23.107 28.660 9.596 1.00 11.15 H new ATOM 0 HD21 LEU A 76 23.751 31.489 8.936 1.00 11.22 H new ATOM 0 HD22 LEU A 76 24.001 30.305 7.914 1.00 11.22 H new ATOM 0 HD23 LEU A 76 23.115 31.547 7.486 1.00 11.22 H new ATOM 1232 N VAL A 77 20.737 28.702 4.555 1.00 9.38 N ANISOU 1232 N VAL A 77 1337 1258 968 126 68 -70 N ATOM 1233 CA VAL A 77 19.986 27.922 3.609 1.00 9.91 C ANISOU 1233 CA VAL A 77 1626 1212 928 256 -156 26 C ATOM 1234 C VAL A 77 20.586 26.533 3.518 1.00 9.94 C ANISOU 1234 C VAL A 77 1495 1194 1087 181 -186 27 C ATOM 1235 O VAL A 77 21.802 26.419 3.363 1.00 10.69 O ANISOU 1235 O VAL A 77 1459 1396 1209 102 -123 -141 O ATOM 1236 CB VAL A 77 19.981 28.588 2.226 1.00 10.56 C ANISOU 1236 CB VAL A 77 1547 1451 1014 336 -87 170 C ATOM 1237 CG1 VAL A 77 19.233 27.704 1.251 1.00 13.98 C ANISOU 1237 CG1 VAL A 77 2519 1755 1038 258 -317 -64 C ATOM 1238 CG2 VAL A 77 19.362 29.967 2.324 1.00 12.92 C ANISOU 1238 CG2 VAL A 77 2294 1457 1158 532 -54 239 C ATOM 0 H VAL A 77 21.584 28.722 4.406 1.00 9.38 H new ATOM 0 HA VAL A 77 19.067 27.862 3.913 1.00 9.91 H new ATOM 0 HB VAL A 77 20.889 28.696 1.901 1.00 10.56 H new ATOM 0 HG11 VAL A 77 19.227 28.121 0.375 1.00 13.98 H new ATOM 0 HG12 VAL A 77 19.671 26.841 1.195 1.00 13.98 H new ATOM 0 HG13 VAL A 77 18.321 27.584 1.557 1.00 13.98 H new ATOM 0 HG21 VAL A 77 19.361 30.384 1.448 1.00 12.92 H new ATOM 0 HG22 VAL A 77 18.450 29.891 2.647 1.00 12.92 H new ATOM 0 HG23 VAL A 77 19.878 30.510 2.940 1.00 12.92 H new ATOM 1248 N GLY A 78 19.773 25.494 3.667 1.00 10.33 N ANISOU 1248 N GLY A 78 1592 1232 1102 118 219 -112 N ATOM 1249 CA GLY A 78 20.267 24.143 3.632 1.00 11.62 C ANISOU 1249 CA GLY A 78 2045 1187 1183 201 63 5 C ATOM 1250 C GLY A 78 19.197 23.150 3.973 1.00 10.41 C ANISOU 1250 C GLY A 78 1869 1136 949 238 -131 -88 C ATOM 1251 O GLY A 78 18.015 23.497 3.950 1.00 12.16 O ANISOU 1251 O GLY A 78 1919 1322 1380 365 -170 1 O ATOM 0 H GLY A 78 18.924 25.560 3.790 1.00 10.33 H new ATOM 0 HA2 GLY A 78 20.618 23.950 2.749 1.00 11.62 H new ATOM 0 HA3 GLY A 78 21.004 24.052 4.256 1.00 11.62 H new ATOM 1255 N PRO A 79 19.623 21.915 4.196 1.00 11.30 N ANISOU 1255 N PRO A 79 1688 1109 1498 214 -24 -22 N ATOM 1256 CA PRO A 79 18.680 20.796 4.266 1.00 12.73 C ANISOU 1256 CA PRO A 79 1862 1219 1757 92 94 -51 C ATOM 1257 C PRO A 79 18.004 20.678 5.612 1.00 12.43 C ANISOU 1257 C PRO A 79 2087 1033 1604 -282 -28 -174 C ATOM 1258 O PRO A 79 18.001 19.689 6.296 1.00 14.80 O ANISOU 1258 O PRO A 79 2633 1272 1720 -28 16 31 O ATOM 1259 CB PRO A 79 19.548 19.586 3.969 1.00 14.85 C ANISOU 1259 CB PRO A 79 2233 1139 2270 155 74 -330 C ATOM 1260 CG PRO A 79 20.886 19.999 4.544 1.00 14.47 C ANISOU 1260 CG PRO A 79 2080 1082 2335 382 44 26 C ATOM 1261 CD PRO A 79 21.014 21.486 4.259 1.00 11.78 C ANISOU 1261 CD PRO A 79 1735 1162 1579 238 253 -1 C ATOM 0 HA PRO A 79 17.943 20.903 3.644 1.00 12.73 H new ATOM 0 HB2 PRO A 79 19.205 18.783 4.391 1.00 14.85 H new ATOM 0 HB3 PRO A 79 19.603 19.405 3.018 1.00 14.85 H new ATOM 0 HG2 PRO A 79 20.925 19.822 5.497 1.00 14.47 H new ATOM 0 HG3 PRO A 79 21.610 19.502 4.133 1.00 14.47 H new ATOM 0 HD2 PRO A 79 21.503 21.947 4.958 1.00 11.78 H new ATOM 0 HD3 PRO A 79 21.482 21.655 3.427 1.00 11.78 H new ATOM 1269 N THR A 80 17.356 21.758 5.998 1.00 13.65 N ANISOU 1269 N THR A 80 2518 1194 1476 -31 143 -108 N ATOM 1270 CA THR A 80 16.594 21.734 7.236 1.00 12.89 C ANISOU 1270 CA THR A 80 2450 1209 1239 30 -102 48 C ATOM 1271 C THR A 80 15.244 21.069 6.993 1.00 14.06 C ANISOU 1271 C THR A 80 2554 1213 1576 -170 90 -239 C ATOM 1272 O THR A 80 14.598 21.315 5.978 1.00 15.77 O ANISOU 1272 O THR A 80 2341 1758 1891 68 -118 -245 O ATOM 1273 CB THR A 80 16.444 23.142 7.824 1.00 11.46 C ANISOU 1273 CB THR A 80 1903 1161 1292 28 -51 -7 C ATOM 1274 OG1 THR A 80 15.676 22.984 9.026 1.00 12.72 O ANISOU 1274 OG1 THR A 80 2186 1404 1243 170 -92 129 O ATOM 1275 CG2 THR A 80 15.782 24.130 6.902 1.00 11.42 C ANISOU 1275 CG2 THR A 80 1788 1261 1289 -59 -6 66 C ATOM 0 H THR A 80 17.341 22.504 5.570 1.00 13.65 H new ATOM 0 HA THR A 80 17.076 21.210 7.895 1.00 12.89 H new ATOM 0 HB THR A 80 17.325 23.515 7.983 1.00 11.46 H new ATOM 0 HG1 THR A 80 14.931 23.362 8.935 1.00 12.72 H new ATOM 0 HG21 THR A 80 15.723 24.993 7.341 1.00 11.42 H new ATOM 0 HG22 THR A 80 16.305 24.216 6.090 1.00 11.42 H new ATOM 0 HG23 THR A 80 14.890 23.819 6.680 1.00 11.42 H new ATOM 1283 N PRO A 81 14.793 20.217 7.904 1.00 15.97 N ANISOU 1283 N PRO A 81 2859 1375 1834 -135 545 -227 N ATOM 1284 CA PRO A 81 13.474 19.589 7.733 1.00 17.91 C ANISOU 1284 CA PRO A 81 3116 1268 2423 -377 656 -384 C ATOM 1285 C PRO A 81 12.315 20.560 7.930 1.00 16.49 C ANISOU 1285 C PRO A 81 2799 1462 2005 -345 76 -414 C ATOM 1286 O PRO A 81 11.190 20.232 7.566 1.00 19.46 O ANISOU 1286 O PRO A 81 2930 1969 2495 -766 203 -780 O ATOM 1287 CB PRO A 81 13.408 18.499 8.808 1.00 20.46 C ANISOU 1287 CB PRO A 81 3143 1495 3136 -142 833 108 C ATOM 1288 CG PRO A 81 14.522 18.729 9.713 1.00 23.96 C ANISOU 1288 CG PRO A 81 4103 1880 3120 -923 291 703 C ATOM 1289 CD PRO A 81 15.456 19.731 9.102 1.00 17.99 C ANISOU 1289 CD PRO A 81 3018 1627 2191 -27 686 463 C ATOM 0 HA PRO A 81 13.385 19.252 6.828 1.00 17.91 H new ATOM 0 HB2 PRO A 81 12.564 18.538 9.285 1.00 20.46 H new ATOM 0 HB3 PRO A 81 13.467 17.618 8.407 1.00 20.46 H new ATOM 0 HG2 PRO A 81 14.197 19.053 10.568 1.00 23.96 H new ATOM 0 HG3 PRO A 81 14.990 17.897 9.885 1.00 23.96 H new ATOM 0 HD2 PRO A 81 15.637 20.458 9.718 1.00 17.99 H new ATOM 0 HD3 PRO A 81 16.309 19.324 8.886 1.00 17.99 H new ATOM 1297 N VAL A 82 12.538 21.718 8.511 1.00 13.77 N ANISOU 1297 N VAL A 82 2316 1536 1381 -337 361 -368 N ATOM 1298 CA VAL A 82 11.531 22.677 8.876 1.00 13.17 C ANISOU 1298 CA VAL A 82 2158 1472 1374 -322 354 -57 C ATOM 1299 C VAL A 82 12.173 24.039 8.709 1.00 11.53 C ANISOU 1299 C VAL A 82 1908 1510 962 -298 222 44 C ATOM 1300 O VAL A 82 13.314 24.201 9.144 1.00 12.72 O ANISOU 1300 O VAL A 82 2112 1100 1621 -19 -212 -122 O ATOM 1301 CB VAL A 82 11.053 22.486 10.340 1.00 17.34 C ANISOU 1301 CB VAL A 82 3487 1286 1815 -172 1225 229 C ATOM 1302 CG1 VAL A 82 10.053 23.554 10.739 1.00 22.55 C ANISOU 1302 CG1 VAL A 82 3614 1640 3313 -442 2020 -419 C ATOM 1303 CG2 VAL A 82 10.396 21.097 10.542 1.00 20.77 C ANISOU 1303 CG2 VAL A 82 3995 1497 2401 -561 1046 225 C ATOM 0 H VAL A 82 13.332 21.979 8.715 1.00 13.77 H new ATOM 0 HA VAL A 82 10.745 22.572 8.318 1.00 13.17 H new ATOM 0 HB VAL A 82 11.842 22.556 10.900 1.00 17.34 H new ATOM 0 HG11 VAL A 82 9.773 23.409 11.656 1.00 22.55 H new ATOM 0 HG12 VAL A 82 10.465 24.429 10.662 1.00 22.55 H new ATOM 0 HG13 VAL A 82 9.280 23.508 10.155 1.00 22.55 H new ATOM 0 HG21 VAL A 82 10.108 21.006 11.464 1.00 20.77 H new ATOM 0 HG22 VAL A 82 9.629 21.013 9.954 1.00 20.77 H new ATOM 0 HG23 VAL A 82 11.039 20.401 10.335 1.00 20.77 H new ATOM 1313 N ASN A 83 11.490 24.985 8.075 1.00 11.33 N ANISOU 1313 N ASN A 83 1968 1411 926 -318 -167 -294 N ATOM 1314 CA ASN A 83 12.001 26.341 8.037 1.00 10.00 C ANISOU 1314 CA ASN A 83 1416 1443 939 -247 -130 -135 C ATOM 1315 C ASN A 83 11.877 26.979 9.403 1.00 9.24 C ANISOU 1315 C ASN A 83 1464 1031 1015 -195 28 -105 C ATOM 1316 O ASN A 83 10.822 26.866 10.018 1.00 10.38 O ANISOU 1316 O ASN A 83 1392 1397 1157 -95 -7 -70 O ATOM 1317 CB ASN A 83 11.182 27.146 7.042 1.00 11.80 C ANISOU 1317 CB ASN A 83 1746 1690 1046 325 -59 -230 C ATOM 1318 CG ASN A 83 11.285 26.603 5.660 1.00 11.51 C ANISOU 1318 CG ASN A 83 1545 2011 816 -162 160 -12 C ATOM 1319 OD1 ASN A 83 12.348 26.211 5.176 1.00 14.97 O ANISOU 1319 OD1 ASN A 83 1587 2875 1227 -337 314 -545 O ATOM 1320 ND2 ASN A 83 10.182 26.573 4.963 1.00 13.68 N ANISOU 1320 ND2 ASN A 83 1996 2146 1054 459 -276 -239 N ATOM 0 H ASN A 83 10.742 24.863 7.668 1.00 11.33 H new ATOM 0 HA ASN A 83 12.935 26.326 7.774 1.00 10.00 H new ATOM 0 HB2 ASN A 83 10.252 27.149 7.318 1.00 11.80 H new ATOM 0 HB3 ASN A 83 11.483 28.068 7.049 1.00 11.80 H new ATOM 0 HD21 ASN A 83 10.191 26.277 4.156 1.00 13.68 H new ATOM 0 HD22 ASN A 83 9.446 26.849 5.311 1.00 13.68 H new ATOM 1327 N ILE A 84 12.968 27.589 9.826 1.00 9.18 N ANISOU 1327 N ILE A 84 1429 1063 995 -91 22 -238 N ATOM 1328 CA ILE A 84 13.092 28.080 11.185 1.00 9.74 C ANISOU 1328 CA ILE A 84 1501 1248 950 -147 61 -277 C ATOM 1329 C ILE A 84 13.402 29.564 11.165 1.00 9.01 C ANISOU 1329 C ILE A 84 1396 1196 830 -83 -65 -175 C ATOM 1330 O ILE A 84 14.395 30.011 10.591 1.00 10.25 O ANISOU 1330 O ILE A 84 1587 1285 1021 -79 176 -235 O ATOM 1331 CB ILE A 84 14.228 27.325 11.926 1.00 11.34 C ANISOU 1331 CB ILE A 84 2066 1165 1080 -5 -198 -172 C ATOM 1332 CG1 ILE A 84 13.970 25.817 12.074 1.00 16.33 C ANISOU 1332 CG1 ILE A 84 3692 1137 1374 -185 -359 -285 C ATOM 1333 CG2 ILE A 84 14.494 28.003 13.236 1.00 13.41 C ANISOU 1333 CG2 ILE A 84 2932 1055 1106 -79 -468 -55 C ATOM 1334 CD1 ILE A 84 12.842 25.416 12.927 1.00 25.28 C ANISOU 1334 CD1 ILE A 84 3906 2851 2848 -1510 -588 915 C ATOM 0 H ILE A 84 13.659 27.731 9.334 1.00 9.18 H new ATOM 0 HA ILE A 84 12.255 27.929 11.650 1.00 9.74 H new ATOM 0 HB ILE A 84 15.028 27.372 11.380 1.00 11.34 H new ATOM 0 HG12 ILE A 84 13.826 25.447 11.189 1.00 16.33 H new ATOM 0 HG13 ILE A 84 14.775 25.406 12.425 1.00 16.33 H new ATOM 0 HG21 ILE A 84 15.203 27.536 13.704 1.00 13.41 H new ATOM 0 HG22 ILE A 84 14.763 28.921 13.077 1.00 13.41 H new ATOM 0 HG23 ILE A 84 13.688 27.991 13.776 1.00 13.41 H new ATOM 0 HD11 ILE A 84 12.777 24.448 12.944 1.00 25.28 H new ATOM 0 HD12 ILE A 84 12.984 25.747 13.828 1.00 25.28 H new ATOM 0 HD13 ILE A 84 12.019 25.788 12.572 1.00 25.28 H new ATOM 1346 N ILE A 85 12.567 30.331 11.855 1.00 9.23 N ANISOU 1346 N ILE A 85 1259 1108 1141 -130 59 -76 N ATOM 1347 CA ILE A 85 12.878 31.718 12.165 1.00 9.78 C ANISOU 1347 CA ILE A 85 1463 1111 1143 75 -86 -108 C ATOM 1348 C ILE A 85 13.480 31.743 13.557 1.00 8.54 C ANISOU 1348 C ILE A 85 1447 669 1128 -94 -36 149 C ATOM 1349 O ILE A 85 12.823 31.402 14.549 1.00 9.94 O ANISOU 1349 O ILE A 85 1534 1029 1212 -200 66 202 O ATOM 1350 CB ILE A 85 11.629 32.620 12.102 1.00 9.48 C ANISOU 1350 CB ILE A 85 1379 1272 953 102 -18 -86 C ATOM 1351 CG1 ILE A 85 10.920 32.515 10.767 1.00 11.09 C ANISOU 1351 CG1 ILE A 85 1742 1444 1027 168 -173 23 C ATOM 1352 CG2 ILE A 85 11.987 34.069 12.424 1.00 11.55 C ANISOU 1352 CG2 ILE A 85 2015 1117 1257 179 -249 36 C ATOM 1353 CD1 ILE A 85 11.756 32.805 9.552 1.00 14.34 C ANISOU 1353 CD1 ILE A 85 2174 2358 917 134 -82 99 C ATOM 0 H ILE A 85 11.807 30.063 12.155 1.00 9.23 H new ATOM 0 HA ILE A 85 13.499 32.067 11.507 1.00 9.78 H new ATOM 0 HB ILE A 85 11.010 32.303 12.778 1.00 9.48 H new ATOM 0 HG12 ILE A 85 10.559 31.619 10.683 1.00 11.09 H new ATOM 0 HG13 ILE A 85 10.166 33.126 10.772 1.00 11.09 H new ATOM 0 HG21 ILE A 85 11.188 34.618 12.379 1.00 11.55 H new ATOM 0 HG22 ILE A 85 12.363 34.119 13.317 1.00 11.55 H new ATOM 0 HG23 ILE A 85 12.638 34.392 11.781 1.00 11.55 H new ATOM 0 HD11 ILE A 85 11.212 32.711 8.755 1.00 14.34 H new ATOM 0 HD12 ILE A 85 12.099 33.711 9.604 1.00 14.34 H new ATOM 0 HD13 ILE A 85 12.497 32.181 9.513 1.00 14.34 H new ATOM 1365 N GLY A 86 14.758 32.086 13.629 1.00 9.19 N ANISOU 1365 N GLY A 86 1406 1000 1085 -158 37 -82 N ATOM 1366 CA GLY A 86 15.510 32.119 14.864 1.00 8.54 C ANISOU 1366 CA GLY A 86 1374 885 987 -74 85 -53 C ATOM 1367 C GLY A 86 15.581 33.530 15.457 1.00 8.78 C ANISOU 1367 C GLY A 86 1426 807 1104 73 -136 -32 C ATOM 1368 O GLY A 86 15.014 34.494 14.953 1.00 9.29 O ANISOU 1368 O GLY A 86 1465 917 1148 30 -90 65 O ATOM 0 H GLY A 86 15.221 32.311 12.940 1.00 9.19 H new ATOM 0 HA2 GLY A 86 15.100 31.519 15.507 1.00 8.54 H new ATOM 0 HA3 GLY A 86 16.409 31.791 14.703 1.00 8.54 H new ATOM 1372 N ARG A 87 16.312 33.597 16.564 1.00 9.12 N ANISOU 1372 N ARG A 87 1580 760 1124 86 -183 -48 N ATOM 1373 CA ARG A 87 16.297 34.818 17.344 1.00 8.52 C ANISOU 1373 CA ARG A 87 1426 839 974 16 23 -37 C ATOM 1374 C ARG A 87 16.816 36.013 16.604 1.00 8.58 C ANISOU 1374 C ARG A 87 1473 883 903 -158 -131 -78 C ATOM 1375 O ARG A 87 16.394 37.122 16.889 1.00 9.97 O ANISOU 1375 O ARG A 87 1729 830 1230 -176 102 -114 O ATOM 1376 CB ARG A 87 17.123 34.614 18.597 1.00 9.88 C ANISOU 1376 CB ARG A 87 1841 867 1044 119 -127 8 C ATOM 1377 CG ARG A 87 16.499 33.671 19.619 1.00 10.31 C ANISOU 1377 CG ARG A 87 2120 767 1029 58 -110 53 C ATOM 1378 CD ARG A 87 17.246 33.611 20.929 1.00 10.36 C ANISOU 1378 CD ARG A 87 1733 1352 850 -274 75 -93 C ATOM 1379 NE ARG A 87 18.629 33.163 20.735 1.00 10.02 N ANISOU 1379 NE ARG A 87 1783 1106 919 -165 81 -14 N ATOM 1380 CZ ARG A 87 19.713 33.894 20.663 1.00 10.08 C ANISOU 1380 CZ ARG A 87 1602 1095 1135 7 -185 332 C ATOM 1381 NH1 ARG A 87 19.684 35.230 20.793 1.00 11.27 N ANISOU 1381 NH1 ARG A 87 1668 1133 1480 -146 -210 152 N ATOM 1382 NH2 ARG A 87 20.896 33.328 20.462 1.00 12.80 N ANISOU 1382 NH2 ARG A 87 1681 1503 1678 73 -69 37 N ATOM 0 H ARG A 87 16.808 32.965 16.871 1.00 9.12 H new ATOM 0 HA ARG A 87 15.368 35.003 17.555 1.00 8.52 H new ATOM 0 HB2 ARG A 87 17.993 34.268 18.344 1.00 9.88 H new ATOM 0 HB3 ARG A 87 17.271 35.476 19.017 1.00 9.88 H new ATOM 0 HG2 ARG A 87 15.586 33.951 19.790 1.00 10.31 H new ATOM 0 HG3 ARG A 87 16.456 32.779 19.240 1.00 10.31 H new ATOM 0 HD2 ARG A 87 17.243 34.487 21.346 1.00 10.36 H new ATOM 0 HD3 ARG A 87 16.790 33.007 21.536 1.00 10.36 H new ATOM 0 HE ARG A 87 18.742 32.314 20.659 1.00 10.02 H new ATOM 0 HH11 ARG A 87 18.936 35.633 20.928 1.00 11.27 H new ATOM 0 HH12 ARG A 87 20.413 35.683 20.741 1.00 11.27 H new ATOM 0 HH21 ARG A 87 20.955 32.474 20.378 1.00 12.80 H new ATOM 0 HH22 ARG A 87 21.603 33.815 20.416 1.00 12.80 H new ATOM 1396 N ASN A 88 17.731 35.787 15.656 1.00 9.65 N ANISOU 1396 N ASN A 88 1578 980 1107 -129 69 6 N ATOM 1397 CA ASN A 88 18.295 36.950 14.943 1.00 10.82 C ANISOU 1397 CA ASN A 88 1813 1068 1230 -190 99 98 C ATOM 1398 C ASN A 88 17.218 37.711 14.191 1.00 11.07 C ANISOU 1398 C ASN A 88 1977 890 1340 -197 -162 -12 C ATOM 1399 O ASN A 88 17.433 38.917 14.001 1.00 11.30 O ANISOU 1399 O ASN A 88 2122 877 1294 -222 -101 -97 O ATOM 1400 CB ASN A 88 19.401 36.526 13.983 1.00 11.59 C ANISOU 1400 CB ASN A 88 1358 1660 1384 -604 48 -177 C ATOM 1401 CG ASN A 88 18.852 35.737 12.808 1.00 11.21 C ANISOU 1401 CG ASN A 88 1798 1112 1350 -302 44 -117 C ATOM 1402 OD1 ASN A 88 18.081 34.776 12.949 1.00 10.70 O ANISOU 1402 OD1 ASN A 88 1739 968 1360 -276 38 -182 O ATOM 1403 ND2 ASN A 88 19.261 36.179 11.645 1.00 11.14 N ANISOU 1403 ND2 ASN A 88 1857 1052 1324 -27 172 -61 N ATOM 0 H ASN A 88 18.028 35.016 15.417 1.00 9.65 H new ATOM 0 HA ASN A 88 18.677 37.539 15.613 1.00 10.82 H new ATOM 0 HB2 ASN A 88 19.866 37.312 13.656 1.00 11.59 H new ATOM 0 HB3 ASN A 88 20.054 35.988 14.458 1.00 11.59 H new ATOM 0 HD21 ASN A 88 18.994 35.798 10.922 1.00 11.14 H new ATOM 0 HD22 ASN A 88 19.797 36.850 11.604 1.00 11.14 H new ATOM 1410 N LEU A 89 16.122 37.082 13.817 1.00 10.20 N ANISOU 1410 N LEU A 89 1775 905 1196 -173 108 108 N ATOM 1411 CA LEU A 89 15.002 37.801 13.213 1.00 10.09 C ANISOU 1411 CA LEU A 89 1773 702 1358 -133 33 44 C ATOM 1412 C LEU A 89 13.850 37.999 14.154 1.00 10.32 C ANISOU 1412 C LEU A 89 1924 814 1182 128 -20 129 C ATOM 1413 O LEU A 89 13.106 38.991 14.029 1.00 10.55 O ANISOU 1413 O LEU A 89 1938 861 1209 148 4 172 O ATOM 1414 CB LEU A 89 14.541 37.126 11.922 1.00 10.08 C ANISOU 1414 CB LEU A 89 1625 873 1333 -122 59 9 C ATOM 1415 CG LEU A 89 15.595 37.023 10.835 1.00 10.83 C ANISOU 1415 CG LEU A 89 1571 1294 1252 98 24 250 C ATOM 1416 CD1 LEU A 89 15.011 36.337 9.603 1.00 15.10 C ANISOU 1416 CD1 LEU A 89 2975 1533 1228 239 -80 -48 C ATOM 1417 CD2 LEU A 89 16.172 38.362 10.467 1.00 17.61 C ANISOU 1417 CD2 LEU A 89 3430 1689 1571 -619 844 151 C ATOM 0 H LEU A 89 15.999 36.235 13.902 1.00 10.20 H new ATOM 0 HA LEU A 89 15.336 38.686 12.997 1.00 10.09 H new ATOM 0 HB2 LEU A 89 14.228 36.233 12.135 1.00 10.08 H new ATOM 0 HB3 LEU A 89 13.781 37.617 11.571 1.00 10.08 H new ATOM 0 HG LEU A 89 16.324 36.488 11.188 1.00 10.83 H new ATOM 0 HD11 LEU A 89 15.691 36.275 8.914 1.00 15.10 H new ATOM 0 HD12 LEU A 89 14.710 35.446 9.841 1.00 15.10 H new ATOM 0 HD13 LEU A 89 14.260 36.853 9.270 1.00 15.10 H new ATOM 0 HD21 LEU A 89 16.838 38.247 9.772 1.00 17.61 H new ATOM 0 HD22 LEU A 89 15.465 38.942 10.144 1.00 17.61 H new ATOM 0 HD23 LEU A 89 16.586 38.762 11.248 1.00 17.61 H new ATOM 1429 N LEU A 90 13.650 37.119 15.124 1.00 9.70 N ANISOU 1429 N LEU A 90 1552 903 1230 246 -12 70 N ATOM 1430 CA LEU A 90 12.582 37.331 16.092 1.00 9.59 C ANISOU 1430 CA LEU A 90 1391 785 1467 68 25 10 C ATOM 1431 C LEU A 90 12.791 38.617 16.852 1.00 9.52 C ANISOU 1431 C LEU A 90 1710 795 1113 91 129 142 C ATOM 1432 O LEU A 90 11.825 39.299 17.150 1.00 10.85 O ANISOU 1432 O LEU A 90 1878 1003 1242 264 131 -77 O ATOM 1433 CB LEU A 90 12.521 36.138 17.040 1.00 9.87 C ANISOU 1433 CB LEU A 90 1563 759 1429 257 212 -9 C ATOM 1434 CG LEU A 90 12.064 34.836 16.429 1.00 9.71 C ANISOU 1434 CG LEU A 90 1379 795 1514 39 232 62 C ATOM 1435 CD1 LEU A 90 12.194 33.715 17.455 1.00 11.67 C ANISOU 1435 CD1 LEU A 90 2174 727 1535 132 -145 -23 C ATOM 1436 CD2 LEU A 90 10.651 34.869 15.940 1.00 11.67 C ANISOU 1436 CD2 LEU A 90 1463 1201 1771 200 82 93 C ATOM 0 H LEU A 90 14.112 36.403 15.240 1.00 9.70 H new ATOM 0 HA LEU A 90 11.736 37.407 15.623 1.00 9.59 H new ATOM 0 HB2 LEU A 90 13.403 36.005 17.422 1.00 9.87 H new ATOM 0 HB3 LEU A 90 11.925 36.359 17.773 1.00 9.87 H new ATOM 0 HG LEU A 90 12.635 34.682 15.660 1.00 9.71 H new ATOM 0 HD11 LEU A 90 11.900 32.879 17.060 1.00 11.67 H new ATOM 0 HD12 LEU A 90 13.121 33.634 17.730 1.00 11.67 H new ATOM 0 HD13 LEU A 90 11.644 33.918 18.228 1.00 11.67 H new ATOM 0 HD21 LEU A 90 10.419 34.007 15.561 1.00 11.67 H new ATOM 0 HD22 LEU A 90 10.057 35.066 16.681 1.00 11.67 H new ATOM 0 HD23 LEU A 90 10.559 35.556 15.261 1.00 11.67 H new ATOM 1448 N THR A 91 14.020 38.960 17.171 1.00 9.74 N ANISOU 1448 N THR A 91 1798 778 1125 -69 96 -5 N ATOM 1449 CA THR A 91 14.257 40.215 17.875 1.00 10.49 C ANISOU 1449 CA THR A 91 1945 871 1171 184 34 -160 C ATOM 1450 C THR A 91 13.758 41.369 17.036 1.00 10.86 C ANISOU 1450 C THR A 91 2076 789 1261 -13 -80 -101 C ATOM 1451 O THR A 91 13.228 42.361 17.563 1.00 11.99 O ANISOU 1451 O THR A 91 2248 787 1519 103 54 -6 O ATOM 1452 CB THR A 91 15.746 40.465 18.179 1.00 10.84 C ANISOU 1452 CB THR A 91 2034 880 1205 -128 -54 23 C ATOM 1453 OG1 THR A 91 16.431 40.474 16.915 1.00 10.85 O ANISOU 1453 OG1 THR A 91 2016 900 1207 -28 -16 144 O ATOM 1454 CG2 THR A 91 16.307 39.444 19.167 1.00 11.44 C ANISOU 1454 CG2 THR A 91 1959 1336 1051 54 22 124 C ATOM 0 H THR A 91 14.723 38.496 16.997 1.00 9.74 H new ATOM 0 HA THR A 91 13.781 40.150 18.718 1.00 10.49 H new ATOM 0 HB THR A 91 15.873 41.318 18.623 1.00 10.84 H new ATOM 0 HG1 THR A 91 17.215 40.191 17.019 1.00 10.85 H new ATOM 0 HG21 THR A 91 17.244 39.634 19.332 1.00 11.44 H new ATOM 0 HG22 THR A 91 15.815 39.496 20.001 1.00 11.44 H new ATOM 0 HG23 THR A 91 16.219 38.552 18.796 1.00 11.44 H new ATOM 1462 N GLN A 92 13.929 41.301 15.730 1.00 10.69 N ANISOU 1462 N GLN A 92 2035 715 1313 -18 -210 -54 N ATOM 1463 CA GLN A 92 13.640 42.426 14.873 1.00 10.84 C ANISOU 1463 CA GLN A 92 1821 949 1349 -13 -129 73 C ATOM 1464 C GLN A 92 12.151 42.701 14.744 1.00 10.61 C ANISOU 1464 C GLN A 92 1864 761 1407 14 -118 -62 C ATOM 1465 O GLN A 92 11.763 43.823 14.491 1.00 13.94 O ANISOU 1465 O GLN A 92 2168 723 2404 92 -81 160 O ATOM 1466 CB GLN A 92 14.294 42.170 13.523 1.00 11.43 C ANISOU 1466 CB GLN A 92 1899 1068 1375 -356 -8 -134 C ATOM 1467 CG GLN A 92 15.782 41.977 13.518 1.00 12.18 C ANISOU 1467 CG GLN A 92 1926 1115 1587 -443 163 72 C ATOM 1468 CD GLN A 92 16.436 43.247 14.059 1.00 11.01 C ANISOU 1468 CD GLN A 92 1740 1080 1364 -338 222 39 C ATOM 1469 OE1 GLN A 92 16.529 44.229 13.342 1.00 12.18 O ANISOU 1469 OE1 GLN A 92 2058 820 1750 -68 277 133 O ATOM 1470 NE2 GLN A 92 16.879 43.188 15.295 1.00 13.05 N ANISOU 1470 NE2 GLN A 92 2140 1164 1653 61 -221 -25 N ATOM 0 H GLN A 92 14.215 40.603 15.318 1.00 10.69 H new ATOM 0 HA GLN A 92 14.007 43.231 15.270 1.00 10.84 H new ATOM 0 HB2 GLN A 92 13.885 41.381 13.134 1.00 11.43 H new ATOM 0 HB3 GLN A 92 14.084 42.915 12.939 1.00 11.43 H new ATOM 0 HG2 GLN A 92 16.025 41.213 14.065 1.00 12.18 H new ATOM 0 HG3 GLN A 92 16.095 41.793 12.619 1.00 12.18 H new ATOM 0 HE21 GLN A 92 16.784 42.466 15.752 1.00 13.05 H new ATOM 0 HE22 GLN A 92 17.264 43.872 15.647 1.00 13.05 H new ATOM 1479 N ILE A 93 11.347 41.659 14.909 1.00 11.49 N ANISOU 1479 N ILE A 93 1801 883 1682 34 96 273 N ATOM 1480 CA ILE A 93 9.920 41.860 14.876 1.00 11.56 C ANISOU 1480 CA ILE A 93 1772 965 1653 173 95 390 C ATOM 1481 C ILE A 93 9.336 42.100 16.250 1.00 11.88 C ANISOU 1481 C ILE A 93 1946 933 1637 125 150 348 C ATOM 1482 O ILE A 93 8.115 42.221 16.421 1.00 14.05 O ANISOU 1482 O ILE A 93 1971 1546 1823 345 240 100 O ATOM 1483 CB ILE A 93 9.242 40.680 14.181 1.00 12.81 C ANISOU 1483 CB ILE A 93 1896 1270 1701 226 -336 156 C ATOM 1484 CG1 ILE A 93 9.303 39.392 14.985 1.00 11.97 C ANISOU 1484 CG1 ILE A 93 1838 949 1763 285 -43 -118 C ATOM 1485 CG2 ILE A 93 9.855 40.534 12.759 1.00 13.41 C ANISOU 1485 CG2 ILE A 93 1583 1723 1790 166 -306 145 C ATOM 1486 CD1 ILE A 93 8.515 38.275 14.318 1.00 14.67 C ANISOU 1486 CD1 ILE A 93 1928 1477 2170 -197 271 -366 C ATOM 0 H ILE A 93 11.605 40.849 15.038 1.00 11.49 H new ATOM 0 HA ILE A 93 9.749 42.667 14.365 1.00 11.56 H new ATOM 0 HB ILE A 93 8.292 40.863 14.106 1.00 12.81 H new ATOM 0 HG12 ILE A 93 10.228 39.119 15.089 1.00 11.97 H new ATOM 0 HG13 ILE A 93 8.952 39.549 15.875 1.00 11.97 H new ATOM 0 HG21 ILE A 93 9.436 39.788 12.301 1.00 13.41 H new ATOM 0 HG22 ILE A 93 9.703 41.349 12.255 1.00 13.41 H new ATOM 0 HG23 ILE A 93 10.809 40.373 12.832 1.00 13.41 H new ATOM 0 HD11 ILE A 93 8.575 37.470 14.856 1.00 14.67 H new ATOM 0 HD12 ILE A 93 7.585 38.539 14.235 1.00 14.67 H new ATOM 0 HD13 ILE A 93 8.881 38.102 13.437 1.00 14.67 H new ATOM 1498 N GLY A 94 10.202 42.198 17.254 1.00 12.30 N ANISOU 1498 N GLY A 94 1892 1129 1651 258 304 41 N ATOM 1499 CA GLY A 94 9.815 42.519 18.607 1.00 12.79 C ANISOU 1499 CA GLY A 94 2068 1134 1660 245 301 -2 C ATOM 1500 C GLY A 94 9.214 41.355 19.333 1.00 12.79 C ANISOU 1500 C GLY A 94 1992 1210 1657 391 395 100 C ATOM 1501 O GLY A 94 8.405 41.567 20.222 1.00 15.70 O ANISOU 1501 O GLY A 94 2854 1276 1835 476 833 105 O ATOM 0 H GLY A 94 11.048 42.076 17.158 1.00 12.30 H new ATOM 0 HA2 GLY A 94 10.592 42.832 19.095 1.00 12.79 H new ATOM 0 HA3 GLY A 94 9.177 43.249 18.591 1.00 12.79 H new ATOM 1505 N ALA A 95 9.598 40.147 18.970 1.00 12.26 N ANISOU 1505 N ALA A 95 1922 1135 1603 456 278 224 N ATOM 1506 CA ALA A 95 8.999 38.982 19.629 1.00 11.77 C ANISOU 1506 CA ALA A 95 1790 1275 1405 113 137 29 C ATOM 1507 C ALA A 95 9.573 38.772 21.011 1.00 11.29 C ANISOU 1507 C ALA A 95 1445 1273 1571 -27 32 181 C ATOM 1508 O ALA A 95 10.765 38.842 21.191 1.00 13.15 O ANISOU 1508 O ALA A 95 1432 1447 2119 -66 -9 146 O ATOM 1509 CB ALA A 95 9.206 37.747 18.766 1.00 14.65 C ANISOU 1509 CB ALA A 95 2699 1273 1594 264 356 2 C ATOM 0 H ALA A 95 10.184 39.972 18.365 1.00 12.26 H new ATOM 0 HA ALA A 95 8.048 39.143 19.734 1.00 11.77 H new ATOM 0 HB1 ALA A 95 8.810 36.977 19.203 1.00 14.65 H new ATOM 0 HB2 ALA A 95 8.785 37.881 17.903 1.00 14.65 H new ATOM 0 HB3 ALA A 95 10.156 37.594 18.642 1.00 14.65 H new ATOM 1515 N THR A 96 8.671 38.498 21.932 1.00 10.88 N ANISOU 1515 N THR A 96 1482 1189 1463 237 85 187 N ATOM 1516 CA THR A 96 9.035 38.161 23.272 1.00 11.43 C ANISOU 1516 CA THR A 96 1767 1114 1461 50 -122 84 C ATOM 1517 C THR A 96 8.293 36.911 23.748 1.00 11.60 C ANISOU 1517 C THR A 96 1811 1194 1404 -5 -22 89 C ATOM 1518 O THR A 96 7.226 36.598 23.244 1.00 12.57 O ANISOU 1518 O THR A 96 1691 1289 1795 73 -62 264 O ATOM 1519 CB THR A 96 8.753 39.293 24.272 1.00 14.48 C ANISOU 1519 CB THR A 96 2321 1397 1785 1 -178 -269 C ATOM 1520 OG1 THR A 96 7.386 39.644 24.255 1.00 14.74 O ANISOU 1520 OG1 THR A 96 2468 1273 1861 291 230 2 O ATOM 1521 CG2 THR A 96 9.565 40.532 23.887 1.00 18.53 C ANISOU 1521 CG2 THR A 96 2816 1257 2967 -170 168 -385 C ATOM 0 H THR A 96 7.823 38.505 21.788 1.00 10.88 H new ATOM 0 HA THR A 96 9.991 38.000 23.247 1.00 11.43 H new ATOM 0 HB THR A 96 8.999 38.982 25.157 1.00 14.48 H new ATOM 0 HG1 THR A 96 6.957 39.126 24.758 1.00 14.74 H new ATOM 0 HG21 THR A 96 9.386 41.246 24.519 1.00 18.53 H new ATOM 0 HG22 THR A 96 10.511 40.317 23.902 1.00 18.53 H new ATOM 0 HG23 THR A 96 9.314 40.820 22.995 1.00 18.53 H new ATOM 1529 N LEU A 97 8.888 36.256 24.737 1.00 11.94 N ANISOU 1529 N LEU A 97 1723 1360 1452 -80 38 216 N ATOM 1530 CA LEU A 97 8.224 35.197 25.450 1.00 12.39 C ANISOU 1530 CA LEU A 97 1578 1519 1612 -92 -75 374 C ATOM 1531 C LEU A 97 7.641 35.784 26.727 1.00 14.40 C ANISOU 1531 C LEU A 97 2156 1794 1521 -180 138 301 C ATOM 1532 O LEU A 97 8.315 36.577 27.388 1.00 20.08 O ANISOU 1532 O LEU A 97 2388 3504 1737 -718 81 -347 O ATOM 1533 CB LEU A 97 9.258 34.148 25.775 1.00 17.74 C ANISOU 1533 CB LEU A 97 2207 1625 2908 303 125 670 C ATOM 1534 CG LEU A 97 9.385 33.040 24.786 1.00 19.62 C ANISOU 1534 CG LEU A 97 1969 2734 2751 881 332 168 C ATOM 1535 CD1 LEU A 97 10.600 32.234 25.262 1.00 24.50 C ANISOU 1535 CD1 LEU A 97 3576 3002 2732 1676 -793 -212 C ATOM 1536 CD2 LEU A 97 8.135 32.185 24.666 1.00 18.77 C ANISOU 1536 CD2 LEU A 97 2941 1341 2849 522 589 236 C ATOM 0 H LEU A 97 9.688 36.419 25.008 1.00 11.94 H new ATOM 0 HA LEU A 97 7.510 34.799 24.927 1.00 12.39 H new ATOM 0 HB2 LEU A 97 10.121 34.583 25.862 1.00 17.74 H new ATOM 0 HB3 LEU A 97 9.046 33.765 26.640 1.00 17.74 H new ATOM 0 HG LEU A 97 9.501 33.386 23.887 1.00 19.62 H new ATOM 0 HD11 LEU A 97 10.748 31.487 24.662 1.00 24.50 H new ATOM 0 HD12 LEU A 97 11.385 32.804 25.268 1.00 24.50 H new ATOM 0 HD13 LEU A 97 10.437 31.901 26.158 1.00 24.50 H new ATOM 0 HD21 LEU A 97 8.283 31.486 24.010 1.00 18.77 H new ATOM 0 HD22 LEU A 97 7.934 31.784 25.526 1.00 18.77 H new ATOM 0 HD23 LEU A 97 7.390 32.739 24.386 1.00 18.77 H new ATOM 1548 N ASN A 98 6.411 35.460 26.994 1.00 13.52 N ANISOU 1548 N ASN A 98 1955 1458 1724 100 91 -24 N ATOM 1549 CA ASN A 98 5.736 36.064 28.119 1.00 14.67 C ANISOU 1549 CA ASN A 98 2215 1679 1678 87 122 -64 C ATOM 1550 C ASN A 98 5.055 35.000 28.960 1.00 15.04 C ANISOU 1550 C ASN A 98 2151 1564 2001 210 446 -151 C ATOM 1551 O ASN A 98 4.351 34.181 28.412 1.00 15.42 O ANISOU 1551 O ASN A 98 2525 1397 1938 203 207 129 O ATOM 1552 CB ASN A 98 4.740 37.091 27.629 1.00 15.42 C ANISOU 1552 CB ASN A 98 1958 1843 2059 183 486 95 C ATOM 1553 CG ASN A 98 5.409 38.248 26.912 1.00 16.10 C ANISOU 1553 CG ASN A 98 2228 1679 2209 364 708 155 C ATOM 1554 OD1 ASN A 98 5.804 38.090 25.770 1.00 20.49 O ANISOU 1554 OD1 ASN A 98 3171 2124 2490 721 1257 323 O ATOM 1555 ND2 ASN A 98 5.581 39.358 27.577 1.00 23.69 N ANISOU 1555 ND2 ASN A 98 4064 1908 3029 -280 833 -185 N ATOM 0 H ASN A 98 5.942 34.896 26.544 1.00 13.52 H new ATOM 0 HA ASN A 98 6.389 36.513 28.679 1.00 14.67 H new ATOM 0 HB2 ASN A 98 4.108 36.664 27.030 1.00 15.42 H new ATOM 0 HB3 ASN A 98 4.232 37.431 28.382 1.00 15.42 H new ATOM 0 HD21 ASN A 98 5.989 40.020 27.210 1.00 23.69 H new ATOM 0 HD22 ASN A 98 5.286 39.427 28.382 1.00 23.69 H new ATOM 1562 N PHE A 99 5.267 35.056 30.277 1.00 17.27 N ANISOU 1562 N PHE A 99 2775 1828 1958 -218 371 23 N ATOM 1563 CA PHE A 99 4.519 34.192 31.153 1.00 17.24 C ANISOU 1563 CA PHE A 99 2554 1760 2236 99 646 38 C ATOM 1564 C PHE A 99 4.498 34.798 32.550 1.00 21.43 C ANISOU 1564 C PHE A 99 3992 1867 2284 122 1167 -23 C ATOM 1565 O PHE A 99 3.937 34.195 33.449 1.00 27.83 O ANISOU 1565 O PHE A 99 5205 2705 2665 -451 1705 93 O ATOM 1566 CB PHE A 99 5.087 32.769 31.243 1.00 16.32 C ANISOU 1566 CB PHE A 99 2659 1736 1807 19 251 -35 C ATOM 1567 CG PHE A 99 6.561 32.672 31.547 1.00 19.41 C ANISOU 1567 CG PHE A 99 2712 2968 1695 619 409 -132 C ATOM 1568 CD1 PHE A 99 7.546 32.902 30.621 1.00 22.98 C ANISOU 1568 CD1 PHE A 99 2704 3520 2509 938 698 568 C ATOM 1569 CD2 PHE A 99 6.960 32.328 32.833 1.00 20.71 C ANISOU 1569 CD2 PHE A 99 3057 2864 1947 633 75 -27 C ATOM 1570 CE1 PHE A 99 8.868 32.795 30.983 1.00 22.22 C ANISOU 1570 CE1 PHE A 99 2738 3261 2446 466 466 430 C ATOM 1571 CE2 PHE A 99 8.299 32.246 33.195 1.00 24.78 C ANISOU 1571 CE2 PHE A 99 2955 4122 2338 903 263 639 C ATOM 1572 CZ PHE A 99 9.281 32.499 32.266 1.00 23.94 C ANISOU 1572 CZ PHE A 99 3186 3307 2603 871 469 817 C ATOM 1573 OXT PHE A 99 5.069 35.909 32.693 1.00 24.44 O ANISOU 1573 OXT PHE A 99 5469 2075 1743 -359 629 102 O ATOM 0 H PHE A 99 5.829 35.579 30.665 1.00 17.27 H new ATOM 0 HA PHE A 99 3.627 34.120 30.779 1.00 17.24 H new ATOM 0 HB2 PHE A 99 4.600 32.287 31.929 1.00 16.32 H new ATOM 0 HB3 PHE A 99 4.916 32.316 30.402 1.00 16.32 H new ATOM 0 HD1 PHE A 99 7.320 33.130 29.748 1.00 22.98 H new ATOM 0 HD2 PHE A 99 6.309 32.147 33.472 1.00 20.71 H new ATOM 0 HE1 PHE A 99 9.517 32.929 30.330 1.00 22.22 H new ATOM 0 HE2 PHE A 99 8.531 32.020 34.067 1.00 24.78 H new ATOM 0 HZ PHE A 99 10.183 32.472 32.492 1.00 23.94 H new TER 1583 PHE A 99 ATOM 1584 N PRO B 1 7.602 36.782 33.502 1.00 31.10 N ANISOU 1584 N PRO B 1 4743 4438 2637 -590 859 -151 N ATOM 1585 CA PRO B 1 8.413 37.843 32.872 1.00 24.94 C ANISOU 1585 CA PRO B 1 3227 4001 2249 -572 285 -888 C ATOM 1586 C PRO B 1 8.077 38.084 31.412 1.00 24.52 C ANISOU 1586 C PRO B 1 4062 2774 2481 -631 96 -506 C ATOM 1587 O PRO B 1 7.323 37.335 30.790 1.00 21.91 O ANISOU 1587 O PRO B 1 3305 3142 1879 -521 380 -445 O ATOM 1588 CB PRO B 1 9.823 37.239 32.959 1.00 31.00 C ANISOU 1588 CB PRO B 1 4135 4010 3633 446 462 492 C ATOM 1589 CG PRO B 1 9.582 35.759 32.803 1.00 34.69 C ANISOU 1589 CG PRO B 1 4468 4135 4577 -58 274 485 C ATOM 1590 CD PRO B 1 8.376 35.512 33.660 1.00 35.76 C ANISOU 1590 CD PRO B 1 5062 4643 3883 -451 363 360 C ATOM 0 H2 PRO B 1 6.902 36.634 33.024 1.00 31.10 H new ATOM 0 H3 PRO B 1 7.329 37.049 34.272 1.00 31.10 H new ATOM 0 HA PRO B 1 8.280 38.702 33.303 1.00 24.94 H new ATOM 0 HB2 PRO B 1 10.402 37.582 32.261 1.00 31.00 H new ATOM 0 HB3 PRO B 1 10.248 37.444 33.806 1.00 31.00 H new ATOM 0 HG2 PRO B 1 9.418 35.519 31.878 1.00 34.69 H new ATOM 0 HG3 PRO B 1 10.345 35.239 33.101 1.00 34.69 H new ATOM 0 HD2 PRO B 1 7.870 34.741 33.359 1.00 35.76 H new ATOM 0 HD3 PRO B 1 8.618 35.349 34.585 1.00 35.76 H new ATOM 1600 N GLN B 2 8.673 39.116 30.839 1.00 23.71 N ANISOU 1600 N GLN B 2 3219 2607 3181 -145 789 -628 N ATOM 1601 CA GLN B 2 8.732 39.278 29.396 1.00 21.30 C ANISOU 1601 CA GLN B 2 2791 2009 3292 212 968 -364 C ATOM 1602 C GLN B 2 10.184 39.098 28.968 1.00 24.30 C ANISOU 1602 C GLN B 2 2824 2105 4304 -518 1348 -1063 C ATOM 1603 O GLN B 2 11.028 39.862 29.393 1.00 37.58 O ANISOU 1603 O GLN B 2 3470 2452 8354 -1220 2114 -2614 O ATOM 1604 CB GLN B 2 8.208 40.635 28.923 1.00 27.03 C ANISOU 1604 CB GLN B 2 4417 1696 4157 287 1558 -158 C ATOM 1605 CG GLN B 2 8.654 40.934 27.494 1.00 37.22 C ANISOU 1605 CG GLN B 2 7301 2725 4116 -1265 1298 485 C ATOM 1606 CD GLN B 2 7.906 42.151 26.971 1.00 41.73 C ANISOU 1606 CD GLN B 2 8422 3160 4274 -666 1186 610 C ATOM 1607 OE1 GLN B 2 6.695 42.073 26.735 1.00 49.57 O ANISOU 1607 OE1 GLN B 2 8404 5990 4440 688 905 -366 O ATOM 1608 NE2 GLN B 2 8.609 43.273 26.800 1.00 51.16 N ANISOU 1608 NE2 GLN B 2 11411 2546 5483 -861 3505 336 N ATOM 0 H GLN B 2 9.058 39.747 31.279 1.00 23.71 H new ATOM 0 HA GLN B 2 8.156 38.613 28.988 1.00 21.30 H new ATOM 0 HB2 GLN B 2 7.239 40.644 28.970 1.00 27.03 H new ATOM 0 HB3 GLN B 2 8.528 41.332 29.517 1.00 27.03 H new ATOM 0 HG2 GLN B 2 9.610 41.096 27.471 1.00 37.22 H new ATOM 0 HG3 GLN B 2 8.482 40.168 26.925 1.00 37.22 H new ATOM 0 HE21 GLN B 2 9.451 43.284 26.976 1.00 51.16 H new ATOM 0 HE22 GLN B 2 8.220 43.985 26.514 1.00 51.16 H new ATOM 1617 N ILE B 3 10.433 38.055 28.196 1.00 16.52 N ANISOU 1617 N ILE B 3 2226 2040 2011 -90 587 -207 N ATOM 1618 CA ILE B 3 11.792 37.694 27.848 1.00 15.69 C ANISOU 1618 CA ILE B 3 2133 2141 1688 -110 304 -82 C ATOM 1619 C ILE B 3 12.031 38.043 26.384 1.00 14.42 C ANISOU 1619 C ILE B 3 2152 1729 1597 -286 351 -427 C ATOM 1620 O ILE B 3 11.349 37.618 25.466 1.00 14.63 O ANISOU 1620 O ILE B 3 2245 1565 1747 -278 -3 -140 O ATOM 1621 CB ILE B 3 12.054 36.208 28.141 1.00 17.04 C ANISOU 1621 CB ILE B 3 2091 2292 2090 42 397 86 C ATOM 1622 CG1 ILE B 3 11.941 35.896 29.636 1.00 19.53 C ANISOU 1622 CG1 ILE B 3 2991 2202 2227 -204 587 308 C ATOM 1623 CG2 ILE B 3 13.404 35.758 27.613 1.00 20.53 C ANISOU 1623 CG2 ILE B 3 2280 2892 2630 434 512 122 C ATOM 1624 CD1 ILE B 3 12.046 34.421 29.926 1.00 21.39 C ANISOU 1624 CD1 ILE B 3 3453 2076 2598 -64 761 161 C ATOM 0 H ILE B 3 9.828 37.543 27.863 1.00 16.52 H new ATOM 0 HA ILE B 3 12.419 38.196 28.392 1.00 15.69 H new ATOM 0 HB ILE B 3 11.365 35.710 27.674 1.00 17.04 H new ATOM 0 HG12 ILE B 3 12.640 36.368 30.116 1.00 19.53 H new ATOM 0 HG13 ILE B 3 11.093 36.229 29.970 1.00 19.53 H new ATOM 0 HG21 ILE B 3 13.534 34.818 27.816 1.00 20.53 H new ATOM 0 HG22 ILE B 3 13.436 35.889 26.652 1.00 20.53 H new ATOM 0 HG23 ILE B 3 14.106 36.279 28.033 1.00 20.53 H new ATOM 0 HD11 ILE B 3 11.969 34.273 30.882 1.00 21.39 H new ATOM 0 HD12 ILE B 3 11.333 33.949 29.468 1.00 21.39 H new ATOM 0 HD13 ILE B 3 12.903 34.090 29.616 1.00 21.39 H new ATOM 1636 N THR B 4 13.031 38.898 26.203 1.00 15.31 N ANISOU 1636 N THR B 4 2067 2218 1533 -446 100 -188 N ATOM 1637 CA THR B 4 13.387 39.316 24.867 1.00 13.22 C ANISOU 1637 CA THR B 4 2131 1397 1494 -255 154 -338 C ATOM 1638 C THR B 4 14.383 38.274 24.351 1.00 12.98 C ANISOU 1638 C THR B 4 2055 1226 1650 -318 -5 -350 C ATOM 1639 O THR B 4 14.793 37.409 25.095 1.00 15.38 O ANISOU 1639 O THR B 4 2562 1509 1773 -82 -210 -223 O ATOM 1640 CB THR B 4 14.008 40.722 24.809 1.00 13.79 C ANISOU 1640 CB THR B 4 2061 1328 1850 -271 56 -540 C ATOM 1641 OG1 THR B 4 15.131 40.757 25.704 1.00 17.22 O ANISOU 1641 OG1 THR B 4 2706 2223 1612 -529 -220 -694 O ATOM 1642 CG2 THR B 4 12.998 41.772 25.228 1.00 19.58 C ANISOU 1642 CG2 THR B 4 3020 1582 2836 95 548 -712 C ATOM 0 H THR B 4 13.506 39.240 26.833 1.00 15.31 H new ATOM 0 HA THR B 4 12.587 39.371 24.322 1.00 13.22 H new ATOM 0 HB THR B 4 14.288 40.913 23.900 1.00 13.79 H new ATOM 0 HG1 THR B 4 14.887 40.513 26.470 1.00 17.22 H new ATOM 0 HG21 THR B 4 13.407 42.650 25.185 1.00 19.58 H new ATOM 0 HG22 THR B 4 12.234 41.742 24.631 1.00 19.58 H new ATOM 0 HG23 THR B 4 12.706 41.596 26.136 1.00 19.58 H new ATOM 1650 N LEU B 5 14.746 38.396 23.083 1.00 12.39 N ANISOU 1650 N LEU B 5 1736 1300 1672 -164 35 -375 N ATOM 1651 CA LEU B 5 15.468 37.295 22.447 1.00 11.22 C ANISOU 1651 CA LEU B 5 1793 886 1583 -161 -40 -141 C ATOM 1652 C LEU B 5 16.830 37.710 21.929 1.00 10.60 C ANISOU 1652 C LEU B 5 1785 845 1397 -124 -54 -133 C ATOM 1653 O LEU B 5 17.451 37.049 21.109 1.00 10.86 O ANISOU 1653 O LEU B 5 1842 930 1353 20 -56 0 O ATOM 1654 CB LEU B 5 14.567 36.715 21.359 1.00 11.07 C ANISOU 1654 CB LEU B 5 1828 694 1686 -66 -162 -107 C ATOM 1655 CG LEU B 5 13.284 36.080 21.918 1.00 12.06 C ANISOU 1655 CG LEU B 5 1788 1313 1482 -180 -374 226 C ATOM 1656 CD1 LEU B 5 12.314 35.737 20.817 1.00 11.62 C ANISOU 1656 CD1 LEU B 5 1848 1163 1403 -91 -308 25 C ATOM 1657 CD2 LEU B 5 13.563 34.803 22.728 1.00 12.55 C ANISOU 1657 CD2 LEU B 5 2258 1115 1395 -261 -393 129 C ATOM 0 H LEU B 5 14.593 39.080 22.585 1.00 12.39 H new ATOM 0 HA LEU B 5 15.664 36.609 23.104 1.00 11.22 H new ATOM 0 HB2 LEU B 5 14.329 37.418 20.735 1.00 11.07 H new ATOM 0 HB3 LEU B 5 15.061 36.047 20.859 1.00 11.07 H new ATOM 0 HG LEU B 5 12.898 36.748 22.506 1.00 12.06 H new ATOM 0 HD11 LEU B 5 11.517 35.339 21.200 1.00 11.62 H new ATOM 0 HD12 LEU B 5 12.073 36.544 20.335 1.00 11.62 H new ATOM 0 HD13 LEU B 5 12.727 35.107 20.206 1.00 11.62 H new ATOM 0 HD21 LEU B 5 12.726 34.440 23.059 1.00 12.55 H new ATOM 0 HD22 LEU B 5 13.997 34.148 22.160 1.00 12.55 H new ATOM 0 HD23 LEU B 5 14.142 35.015 23.477 1.00 12.55 H new ATOM 1669 N TRP B 6 17.343 38.853 22.406 1.00 11.31 N ANISOU 1669 N TRP B 6 1828 759 1710 -153 -156 29 N ATOM 1670 CA TRP B 6 18.659 39.289 22.005 1.00 12.09 C ANISOU 1670 CA TRP B 6 1813 1046 1733 -245 -272 166 C ATOM 1671 C TRP B 6 19.724 38.308 22.484 1.00 11.29 C ANISOU 1671 C TRP B 6 1791 1000 1501 -237 -281 24 C ATOM 1672 O TRP B 6 20.765 38.171 21.847 1.00 15.80 O ANISOU 1672 O TRP B 6 2131 1467 2405 202 261 599 O ATOM 1673 CB TRP B 6 18.944 40.697 22.584 1.00 12.60 C ANISOU 1673 CB TRP B 6 2035 971 1782 -292 -401 122 C ATOM 1674 CG TRP B 6 17.855 41.639 22.171 1.00 13.37 C ANISOU 1674 CG TRP B 6 2146 1174 1759 -52 -230 40 C ATOM 1675 CD1 TRP B 6 16.777 42.043 22.898 1.00 13.66 C ANISOU 1675 CD1 TRP B 6 2255 1127 1806 -139 -173 -158 C ATOM 1676 CD2 TRP B 6 17.713 42.286 20.897 1.00 12.15 C ANISOU 1676 CD2 TRP B 6 2354 635 1629 165 -217 -238 C ATOM 1677 NE1 TRP B 6 15.988 42.889 22.194 1.00 14.23 N ANISOU 1677 NE1 TRP B 6 2284 1208 1913 50 11 -5 N ATOM 1678 CE2 TRP B 6 16.539 43.058 20.973 1.00 12.68 C ANISOU 1678 CE2 TRP B 6 1899 1115 1806 -2 -235 -171 C ATOM 1679 CE3 TRP B 6 18.483 42.274 19.749 1.00 12.64 C ANISOU 1679 CE3 TRP B 6 2154 1003 1647 53 -217 -217 C ATOM 1680 CZ2 TRP B 6 16.113 43.825 19.909 1.00 13.74 C ANISOU 1680 CZ2 TRP B 6 2289 1097 1832 317 -144 -115 C ATOM 1681 CZ3 TRP B 6 18.061 43.037 18.680 1.00 12.87 C ANISOU 1681 CZ3 TRP B 6 2251 1066 1573 170 -230 -259 C ATOM 1682 CH2 TRP B 6 16.883 43.788 18.799 1.00 12.64 C ANISOU 1682 CH2 TRP B 6 2042 1062 1698 27 -321 -381 C ATOM 0 H TRP B 6 16.940 39.376 22.956 1.00 11.31 H new ATOM 0 HA TRP B 6 18.689 39.325 21.036 1.00 12.09 H new ATOM 0 HB2 TRP B 6 18.998 40.654 23.552 1.00 12.60 H new ATOM 0 HB3 TRP B 6 19.802 41.020 22.266 1.00 12.60 H new ATOM 0 HD1 TRP B 6 16.604 41.771 23.770 1.00 13.66 H new ATOM 0 HE1 TRP B 6 15.262 43.255 22.476 1.00 14.23 H new ATOM 0 HE3 TRP B 6 19.261 41.767 19.699 1.00 12.64 H new ATOM 0 HZ2 TRP B 6 15.339 44.339 19.953 1.00 13.74 H new ATOM 0 HZ3 TRP B 6 18.552 43.053 17.890 1.00 12.87 H new ATOM 0 HH2 TRP B 6 16.614 44.294 18.066 1.00 12.64 H new ATOM 1693 N LYS B 7 19.431 37.669 23.607 1.00 11.91 N ANISOU 1693 N LYS B 7 1795 1100 1629 -38 -199 139 N ATOM 1694 CA LYS B 7 20.273 36.621 24.167 1.00 12.06 C ANISOU 1694 CA LYS B 7 1619 1158 1807 -85 -119 207 C ATOM 1695 C LYS B 7 19.465 35.322 24.161 1.00 11.48 C ANISOU 1695 C LYS B 7 1511 1231 1619 -97 -201 406 C ATOM 1696 O LYS B 7 18.228 35.387 24.081 1.00 11.62 O ANISOU 1696 O LYS B 7 1511 1357 1545 -19 -125 -129 O ATOM 1697 CB LYS B 7 20.699 36.927 25.572 1.00 21.64 C ANISOU 1697 CB LYS B 7 4372 1252 2598 -451 -1784 529 C ATOM 1698 CG LYS B 7 21.427 38.212 25.915 1.00 34.09 C ANISOU 1698 CG LYS B 7 7189 1448 4315 -910 -3227 125 C ATOM 1699 CD LYS B 7 21.833 38.288 27.369 1.00 45.92 C ANISOU 1699 CD LYS B 7 9481 3126 4840 -2099 -4657 564 C ATOM 1700 CE LYS B 7 21.595 37.115 28.311 1.00 60.54 C ANISOU 1700 CE LYS B 7 12361 5270 5372 -2009 -3964 2085 C ATOM 1701 NZ LYS B 7 21.019 37.445 29.649 1.00 83.71 N ANISOU 1701 NZ LYS B 7 15937 10245 5622 -2515 -2589 1862 N ATOM 0 H LYS B 7 18.727 37.834 24.073 1.00 11.91 H new ATOM 0 HA LYS B 7 21.078 36.548 23.630 1.00 12.06 H new ATOM 0 HB2 LYS B 7 19.900 36.900 26.121 1.00 21.64 H new ATOM 0 HB3 LYS B 7 21.267 36.195 25.861 1.00 21.64 H new ATOM 0 HG2 LYS B 7 22.218 38.289 25.359 1.00 34.09 H new ATOM 0 HG3 LYS B 7 20.857 38.968 25.703 1.00 34.09 H new ATOM 0 HD2 LYS B 7 22.783 38.480 27.389 1.00 45.92 H new ATOM 0 HD3 LYS B 7 21.380 39.056 27.751 1.00 45.92 H new ATOM 0 HE2 LYS B 7 21.001 36.487 27.871 1.00 60.54 H new ATOM 0 HE3 LYS B 7 22.440 36.658 28.448 1.00 60.54 H new ATOM 0 HZ1 LYS B 7 20.918 36.698 30.122 1.00 83.71 H new ATOM 0 HZ2 LYS B 7 21.568 37.997 30.081 1.00 83.71 H new ATOM 0 HZ3 LYS B 7 20.227 37.837 29.543 1.00 83.71 H new ATOM 1715 N ARG B 8 20.134 34.197 24.306 1.00 12.15 N ANISOU 1715 N ARG B 8 1705 1203 1707 -7 -214 456 N ATOM 1716 CA ARG B 8 19.405 32.947 24.433 1.00 11.23 C ANISOU 1716 CA ARG B 8 1864 1268 1133 -32 -151 340 C ATOM 1717 C ARG B 8 18.478 32.998 25.637 1.00 11.03 C ANISOU 1717 C ARG B 8 1888 1219 1085 -161 -167 6 C ATOM 1718 O ARG B 8 18.912 33.468 26.698 1.00 12.01 O ANISOU 1718 O ARG B 8 2264 1135 1163 -413 -213 13 O ATOM 1719 CB ARG B 8 20.360 31.774 24.581 1.00 12.02 C ANISOU 1719 CB ARG B 8 2143 1200 1223 94 88 553 C ATOM 1720 CG ARG B 8 21.254 31.606 23.383 1.00 14.20 C ANISOU 1720 CG ARG B 8 1835 2137 1425 81 -20 94 C ATOM 1721 CD ARG B 8 22.107 30.376 23.548 1.00 18.84 C ANISOU 1721 CD ARG B 8 2569 2831 1759 846 429 460 C ATOM 1722 NE ARG B 8 22.917 30.256 22.302 1.00 20.96 N ANISOU 1722 NE ARG B 8 2126 4306 1531 985 -47 -134 N ATOM 1723 CZ ARG B 8 24.216 30.113 22.226 1.00 23.30 C ANISOU 1723 CZ ARG B 8 2022 4880 1951 802 16 118 C ATOM 1724 NH1 ARG B 8 25.039 30.049 23.275 1.00 31.58 N ANISOU 1724 NH1 ARG B 8 2108 7628 2261 268 -324 130 N ATOM 1725 NH2 ARG B 8 24.763 30.021 21.026 1.00 21.50 N ANISOU 1725 NH2 ARG B 8 1996 4040 2132 512 75 -356 N ATOM 0 H ARG B 8 20.991 34.131 24.334 1.00 12.15 H new ATOM 0 HA ARG B 8 18.881 32.824 23.626 1.00 11.23 H new ATOM 0 HB2 ARG B 8 20.906 31.903 25.373 1.00 12.02 H new ATOM 0 HB3 ARG B 8 19.850 30.960 24.717 1.00 12.02 H new ATOM 0 HG2 ARG B 8 20.718 31.532 22.578 1.00 14.20 H new ATOM 0 HG3 ARG B 8 21.818 32.388 23.278 1.00 14.20 H new ATOM 0 HD2 ARG B 8 22.680 30.455 24.327 1.00 18.84 H new ATOM 0 HD3 ARG B 8 21.556 29.588 23.680 1.00 18.84 H new ATOM 0 HE ARG B 8 22.487 30.284 21.558 1.00 20.96 H new ATOM 0 HH11 ARG B 8 24.723 30.103 24.073 1.00 31.58 H new ATOM 0 HH12 ARG B 8 25.885 29.954 23.153 1.00 31.58 H new ATOM 0 HH21 ARG B 8 24.268 30.056 20.324 1.00 21.50 H new ATOM 0 HH22 ARG B 8 25.614 29.927 20.948 1.00 21.50 H new ATOM 1739 N PRO B 9 17.238 32.509 25.481 1.00 10.50 N ANISOU 1739 N PRO B 9 1954 1130 904 -194 -80 -20 N ATOM 1740 CA PRO B 9 16.320 32.492 26.612 1.00 11.15 C ANISOU 1740 CA PRO B 9 1896 1186 1153 79 36 -33 C ATOM 1741 C PRO B 9 16.545 31.332 27.571 1.00 10.56 C ANISOU 1741 C PRO B 9 1626 1342 1044 -241 0 57 C ATOM 1742 O PRO B 9 15.769 30.420 27.684 1.00 11.19 O ANISOU 1742 O PRO B 9 1759 1165 1328 -330 55 -162 O ATOM 1743 CB PRO B 9 14.951 32.427 25.926 1.00 11.41 C ANISOU 1743 CB PRO B 9 1994 1176 1164 -172 -60 218 C ATOM 1744 CG PRO B 9 15.227 31.637 24.693 1.00 12.15 C ANISOU 1744 CG PRO B 9 1958 1460 1199 -305 -54 85 C ATOM 1745 CD PRO B 9 16.582 32.140 24.250 1.00 10.48 C ANISOU 1745 CD PRO B 9 1831 1065 1087 -146 -189 16 C ATOM 0 HA PRO B 9 16.432 33.263 27.190 1.00 11.15 H new ATOM 0 HB2 PRO B 9 14.289 31.995 26.488 1.00 11.41 H new ATOM 0 HB3 PRO B 9 14.612 33.312 25.717 1.00 11.41 H new ATOM 0 HG2 PRO B 9 15.241 30.684 24.875 1.00 12.15 H new ATOM 0 HG3 PRO B 9 14.551 31.786 24.014 1.00 12.15 H new ATOM 0 HD2 PRO B 9 17.077 31.454 23.775 1.00 10.48 H new ATOM 0 HD3 PRO B 9 16.501 32.898 23.650 1.00 10.48 H new ATOM 1753 N LEU B 10 17.676 31.503 28.279 1.00 11.26 N ANISOU 1753 N LEU B 10 1735 1379 1166 -450 -66 221 N ATOM 1754 CA LEU B 10 18.114 30.521 29.223 1.00 11.15 C ANISOU 1754 CA LEU B 10 1791 1365 1082 -437 -190 150 C ATOM 1755 C LEU B 10 17.570 30.882 30.610 1.00 12.73 C ANISOU 1755 C LEU B 10 2437 1314 1086 -253 -149 21 C ATOM 1756 O LEU B 10 17.686 32.030 31.020 1.00 16.57 O ANISOU 1756 O LEU B 10 3549 1373 1375 -558 -155 -71 O ATOM 1757 CB LEU B 10 19.627 30.489 29.281 1.00 14.01 C ANISOU 1757 CB LEU B 10 1822 2133 1368 -517 -392 309 C ATOM 1758 CG LEU B 10 20.279 29.909 28.019 1.00 14.91 C ANISOU 1758 CG LEU B 10 1552 2457 1657 -277 -140 418 C ATOM 1759 CD1 LEU B 10 21.740 30.305 28.029 1.00 17.77 C ANISOU 1759 CD1 LEU B 10 1670 2549 2532 -586 -197 453 C ATOM 1760 CD2 LEU B 10 20.069 28.415 27.991 1.00 18.92 C ANISOU 1760 CD2 LEU B 10 2118 2632 2439 -835 -124 -493 C ATOM 0 H LEU B 10 18.190 32.190 28.211 1.00 11.26 H new ATOM 0 HA LEU B 10 17.787 29.650 28.949 1.00 11.15 H new ATOM 0 HB2 LEU B 10 19.957 31.390 29.421 1.00 14.01 H new ATOM 0 HB3 LEU B 10 19.903 29.964 30.049 1.00 14.01 H new ATOM 0 HG LEU B 10 19.878 30.260 27.208 1.00 14.91 H new ATOM 0 HD11 LEU B 10 22.177 29.950 27.239 1.00 17.77 H new ATOM 0 HD12 LEU B 10 21.813 31.272 28.031 1.00 17.77 H new ATOM 0 HD13 LEU B 10 22.167 29.947 28.823 1.00 17.77 H new ATOM 0 HD21 LEU B 10 20.480 28.045 27.194 1.00 18.92 H new ATOM 0 HD22 LEU B 10 20.473 28.016 28.778 1.00 18.92 H new ATOM 0 HD23 LEU B 10 19.118 28.222 27.983 1.00 18.92 H new ATOM 1772 N VAL B 11 16.955 29.915 31.242 1.00 11.54 N ANISOU 1772 N VAL B 11 2252 1088 1044 18 134 -157 N ATOM 1773 CA VAL B 11 16.445 30.107 32.568 1.00 11.76 C ANISOU 1773 CA VAL B 11 2081 1272 1115 253 113 -79 C ATOM 1774 C VAL B 11 16.949 28.970 33.433 1.00 10.97 C ANISOU 1774 C VAL B 11 2059 1020 1090 -18 -203 -170 C ATOM 1775 O VAL B 11 17.440 27.963 32.994 1.00 12.27 O ANISOU 1775 O VAL B 11 2100 1221 1343 126 -150 -283 O ATOM 1776 CB VAL B 11 14.907 30.147 32.622 1.00 13.47 C ANISOU 1776 CB VAL B 11 2061 1580 1475 274 132 151 C ATOM 1777 CG1 VAL B 11 14.356 31.298 31.776 1.00 15.31 C ANISOU 1777 CG1 VAL B 11 2474 1750 1592 409 -358 55 C ATOM 1778 CG2 VAL B 11 14.323 28.836 32.162 1.00 14.23 C ANISOU 1778 CG2 VAL B 11 2152 1828 1425 -38 -84 312 C ATOM 0 H VAL B 11 16.822 29.131 30.915 1.00 11.54 H new ATOM 0 HA VAL B 11 16.757 30.968 32.888 1.00 11.76 H new ATOM 0 HB VAL B 11 14.647 30.296 33.545 1.00 13.47 H new ATOM 0 HG11 VAL B 11 13.387 31.302 31.826 1.00 15.31 H new ATOM 0 HG12 VAL B 11 14.700 32.140 32.112 1.00 15.31 H new ATOM 0 HG13 VAL B 11 14.631 31.182 30.853 1.00 15.31 H new ATOM 0 HG21 VAL B 11 13.355 28.881 32.203 1.00 14.23 H new ATOM 0 HG22 VAL B 11 14.600 28.661 31.249 1.00 14.23 H new ATOM 0 HG23 VAL B 11 14.638 28.122 32.738 1.00 14.23 H new ATOM 1788 N THR B 12 16.785 29.170 34.732 1.00 10.41 N ANISOU 1788 N THR B 12 1544 1309 1104 -101 -161 -129 N ATOM 1789 CA THR B 12 17.045 28.101 35.652 1.00 10.91 C ANISOU 1789 CA THR B 12 1561 1455 1129 -140 -398 -76 C ATOM 1790 C THR B 12 15.841 27.223 35.789 1.00 9.02 C ANISOU 1790 C THR B 12 1362 1213 852 140 -252 -131 C ATOM 1791 O THR B 12 14.719 27.709 35.926 1.00 11.64 O ANISOU 1791 O THR B 12 1524 1421 1476 335 -39 7 O ATOM 1792 CB THR B 12 17.434 28.685 37.044 1.00 14.02 C ANISOU 1792 CB THR B 12 2846 1347 1135 -564 -504 -161 C ATOM 1793 OG1 THR B 12 18.573 29.548 36.847 1.00 17.46 O ANISOU 1793 OG1 THR B 12 2925 1719 1990 -787 -919 -24 O ATOM 1794 CG2 THR B 12 17.840 27.533 37.941 1.00 13.56 C ANISOU 1794 CG2 THR B 12 2425 1891 836 -203 -203 -66 C ATOM 0 H THR B 12 16.527 29.909 35.089 1.00 10.41 H new ATOM 0 HA THR B 12 17.780 27.569 35.310 1.00 10.91 H new ATOM 0 HB THR B 12 16.697 29.174 37.443 1.00 14.02 H new ATOM 0 HG1 THR B 12 18.805 29.879 37.583 1.00 17.46 H new ATOM 0 HG21 THR B 12 18.087 27.874 38.815 1.00 13.56 H new ATOM 0 HG22 THR B 12 17.097 26.917 38.033 1.00 13.56 H new ATOM 0 HG23 THR B 12 18.597 27.069 37.550 1.00 13.56 H new ATOM 1802 N ILE B 13 16.095 25.931 35.781 1.00 9.69 N ANISOU 1802 N ILE B 13 1395 1179 1109 90 98 -60 N ATOM 1803 CA ILE B 13 15.075 24.949 36.071 1.00 9.69 C ANISOU 1803 CA ILE B 13 1318 1385 979 -43 -60 -30 C ATOM 1804 C ILE B 13 15.507 24.162 37.300 1.00 10.79 C ANISOU 1804 C ILE B 13 1598 1527 975 21 -44 68 C ATOM 1805 O ILE B 13 16.674 24.186 37.715 1.00 11.12 O ANISOU 1805 O ILE B 13 1571 1561 1094 61 -118 146 O ATOM 1806 CB ILE B 13 14.829 24.003 34.864 1.00 9.81 C ANISOU 1806 CB ILE B 13 1348 1514 867 -207 145 -54 C ATOM 1807 CG1 ILE B 13 16.005 23.130 34.582 1.00 11.09 C ANISOU 1807 CG1 ILE B 13 1337 1860 1015 -50 -2 -297 C ATOM 1808 CG2 ILE B 13 14.383 24.826 33.676 1.00 11.18 C ANISOU 1808 CG2 ILE B 13 1524 1764 958 -166 79 60 C ATOM 1809 CD1 ILE B 13 15.743 21.966 33.653 1.00 12.08 C ANISOU 1809 CD1 ILE B 13 2085 1270 1233 -162 92 -56 C ATOM 0 H ILE B 13 16.868 25.597 35.606 1.00 9.69 H new ATOM 0 HA ILE B 13 14.234 25.401 36.243 1.00 9.69 H new ATOM 0 HB ILE B 13 14.116 23.382 35.080 1.00 9.81 H new ATOM 0 HG12 ILE B 13 16.710 23.676 34.200 1.00 11.09 H new ATOM 0 HG13 ILE B 13 16.340 22.783 35.424 1.00 11.09 H new ATOM 0 HG21 ILE B 13 14.227 24.242 32.918 1.00 11.18 H new ATOM 0 HG22 ILE B 13 13.563 25.295 33.896 1.00 11.18 H new ATOM 0 HG23 ILE B 13 15.073 25.470 33.451 1.00 11.18 H new ATOM 0 HD11 ILE B 13 16.561 21.459 33.530 1.00 12.08 H new ATOM 0 HD12 ILE B 13 15.062 21.392 34.037 1.00 12.08 H new ATOM 0 HD13 ILE B 13 15.438 22.299 32.795 1.00 12.08 H new ATOM 1821 N LYS B 14 14.547 23.446 37.876 1.00 10.54 N ANISOU 1821 N LYS B 14 1527 1464 1012 115 -33 132 N ATOM 1822 CA LYS B 14 14.865 22.571 38.988 1.00 9.57 C ANISOU 1822 CA LYS B 14 1489 1257 889 36 -123 -65 C ATOM 1823 C LYS B 14 14.206 21.241 38.688 1.00 10.50 C ANISOU 1823 C LYS B 14 1480 1300 1209 -33 120 -52 C ATOM 1824 O LYS B 14 12.986 21.170 38.483 1.00 11.17 O ANISOU 1824 O LYS B 14 1551 1430 1262 -121 -90 6 O ATOM 1825 CB ALYS B 14 14.344 23.095 40.318 0.50 10.52 C ATOM 1826 CB BLYS B 14 14.344 23.095 40.318 0.50 10.52 C ATOM 1827 CG ALYS B 14 14.578 22.215 41.524 0.50 13.12 C ATOM 1828 CG BLYS B 14 14.826 22.195 41.459 0.50 8.28 C ATOM 1829 CD ALYS B 14 14.127 23.021 42.752 0.50 12.88 C ATOM 1830 CD BLYS B 14 14.724 22.835 42.833 0.50 8.55 C ATOM 1831 CE ALYS B 14 14.444 22.190 43.989 0.50 17.49 C ATOM 1832 CE BLYS B 14 13.264 23.169 43.154 0.50 8.96 C ATOM 1833 NZ ALYS B 14 14.120 22.990 45.207 0.50 14.87 N ATOM 1834 NZ BLYS B 14 13.129 23.580 44.595 0.50 10.10 N ATOM 0 H LYS B 14 13.720 23.454 37.641 1.00 10.54 H new ATOM 0 HA LYS B 14 15.829 22.504 39.076 1.00 9.57 H new ATOM 0 HB2ALYS B 14 14.754 23.958 40.487 0.50 10.52 H new ATOM 0 HB2BLYS B 14 14.653 24.004 40.460 0.50 10.52 H new ATOM 0 HB3ALYS B 14 13.390 23.246 40.233 0.50 10.52 H new ATOM 0 HB3BLYS B 14 13.374 23.124 40.306 0.50 10.52 H new ATOM 0 HG2ALYS B 14 14.075 21.389 41.450 0.50 8.28 H new ATOM 0 HG2BLYS B 14 14.307 21.376 41.454 0.50 8.28 H new ATOM 0 HG3ALYS B 14 15.514 21.972 41.596 0.50 8.28 H new ATOM 0 HG3BLYS B 14 15.749 21.947 41.295 0.50 8.28 H new ATOM 0 HD2ALYS B 14 14.587 23.874 42.787 0.50 8.55 H new ATOM 0 HD2BLYS B 14 15.080 22.233 43.505 0.50 8.55 H new ATOM 0 HD3ALYS B 14 13.177 23.212 42.704 0.50 8.55 H new ATOM 0 HD3BLYS B 14 15.261 23.642 42.862 0.50 8.55 H new ATOM 0 HE2ALYS B 14 13.929 21.368 43.981 0.50 8.96 H new ATOM 0 HE2BLYS B 14 12.954 23.884 42.576 0.50 8.96 H new ATOM 0 HE3ALYS B 14 15.381 21.938 43.993 0.50 8.96 H new ATOM 0 HE3BLYS B 14 12.702 22.398 42.977 0.50 8.96 H new ATOM 0 HZ1ALYS B 14 14.303 22.511 45.934 0.50 10.10 H new ATOM 0 HZ1BLYS B 14 12.314 23.909 44.735 0.50 10.10 H new ATOM 0 HZ2ALYS B 14 14.608 23.734 45.212 0.50 10.10 H new ATOM 0 HZ2BLYS B 14 13.257 22.872 45.119 0.50 10.10 H new ATOM 0 HZ3ALYS B 14 13.256 23.203 45.202 0.50 10.10 H new ATOM 0 HZ3BLYS B 14 13.736 24.203 44.784 0.50 10.10 H new ATOM 1859 N ILE B 15 14.995 20.202 38.690 1.00 11.18 N ANISOU 1859 N ILE B 15 1730 1258 1260 20 -164 23 N ATOM 1860 CA ILE B 15 14.483 18.885 38.431 1.00 11.46 C ANISOU 1860 CA ILE B 15 1507 1292 1555 -52 -389 -129 C ATOM 1861 C ILE B 15 15.312 17.927 39.282 1.00 12.76 C ANISOU 1861 C ILE B 15 1785 1040 2023 115 -563 -311 C ATOM 1862 O ILE B 15 16.538 18.075 39.372 1.00 14.92 O ANISOU 1862 O ILE B 15 1657 1883 2127 353 -429 -205 O ATOM 1863 CB ILE B 15 14.565 18.597 36.927 1.00 13.09 C ANISOU 1863 CB ILE B 15 1651 1649 1675 -14 -143 -364 C ATOM 1864 CG1 ILE B 15 14.074 17.190 36.618 1.00 14.03 C ANISOU 1864 CG1 ILE B 15 1994 1616 1721 105 7 -582 C ATOM 1865 CG2 ILE B 15 15.950 18.859 36.382 1.00 15.61 C ANISOU 1865 CG2 ILE B 15 1749 2332 1849 -38 -156 -224 C ATOM 1866 CD1 ILE B 15 13.867 16.998 35.120 1.00 15.44 C ANISOU 1866 CD1 ILE B 15 2518 1720 1629 46 28 -419 C ATOM 0 H ILE B 15 15.841 20.236 38.841 1.00 11.18 H new ATOM 0 HA ILE B 15 13.548 18.786 38.669 1.00 11.46 H new ATOM 0 HB ILE B 15 13.973 19.214 36.470 1.00 13.09 H new ATOM 0 HG12 ILE B 15 14.717 16.541 36.945 1.00 14.03 H new ATOM 0 HG13 ILE B 15 13.241 17.025 37.086 1.00 14.03 H new ATOM 0 HG21 ILE B 15 15.966 18.667 35.431 1.00 15.61 H new ATOM 0 HG22 ILE B 15 16.185 19.789 36.528 1.00 15.61 H new ATOM 0 HG23 ILE B 15 16.590 18.289 36.837 1.00 15.61 H new ATOM 0 HD11 ILE B 15 13.555 16.096 34.949 1.00 15.44 H new ATOM 0 HD12 ILE B 15 13.208 17.634 34.800 1.00 15.44 H new ATOM 0 HD13 ILE B 15 14.707 17.142 34.656 1.00 15.44 H new ATOM 1878 N GLY B 16 14.664 16.981 39.940 1.00 16.11 N ANISOU 1878 N GLY B 16 2073 1541 2509 163 -616 378 N ATOM 1879 CA GLY B 16 15.402 16.050 40.774 1.00 18.56 C ANISOU 1879 CA GLY B 16 2754 1238 3059 319 -1092 206 C ATOM 1880 C GLY B 16 16.128 16.756 41.897 1.00 16.89 C ANISOU 1880 C GLY B 16 2244 1542 2633 15 -756 435 C ATOM 1881 O GLY B 16 17.118 16.247 42.412 1.00 18.80 O ANISOU 1881 O GLY B 16 2359 1910 2875 69 -836 545 O ATOM 0 H GLY B 16 13.813 16.861 39.919 1.00 16.11 H new ATOM 0 HA2 GLY B 16 14.791 15.394 41.145 1.00 18.56 H new ATOM 0 HA3 GLY B 16 16.042 15.565 40.230 1.00 18.56 H new ATOM 1885 N GLY B 17 15.653 17.926 42.311 1.00 15.03 N ANISOU 1885 N GLY B 17 2166 1577 1970 -237 -365 439 N ATOM 1886 CA GLY B 17 16.308 18.636 43.386 1.00 16.93 C ANISOU 1886 CA GLY B 17 2126 2294 2014 -237 -349 193 C ATOM 1887 C GLY B 17 17.478 19.473 42.940 1.00 15.16 C ANISOU 1887 C GLY B 17 2101 1803 1855 -139 -583 251 C ATOM 1888 O GLY B 17 18.150 20.127 43.741 1.00 17.72 O ANISOU 1888 O GLY B 17 2540 2086 2106 -295 -668 37 O ATOM 0 H GLY B 17 14.961 18.317 41.984 1.00 15.03 H new ATOM 0 HA2 GLY B 17 15.660 19.209 43.825 1.00 16.93 H new ATOM 0 HA3 GLY B 17 16.613 17.995 44.047 1.00 16.93 H new ATOM 1892 N GLN B 18 17.762 19.431 41.661 1.00 14.55 N ANISOU 1892 N GLN B 18 1865 1826 1836 15 -590 406 N ATOM 1893 CA GLN B 18 18.968 20.034 41.143 1.00 13.88 C ANISOU 1893 CA GLN B 18 1662 1664 1949 131 -588 120 C ATOM 1894 C GLN B 18 18.622 21.225 40.256 1.00 12.07 C ANISOU 1894 C GLN B 18 1478 1680 1430 220 -235 53 C ATOM 1895 O GLN B 18 17.673 21.166 39.469 1.00 13.50 O ANISOU 1895 O GLN B 18 1788 1659 1682 313 -512 -42 O ATOM 1896 CB GLN B 18 19.784 19.089 40.240 1.00 19.12 C ANISOU 1896 CB GLN B 18 2400 1661 3202 419 55 -2 C ATOM 1897 CG GLN B 18 20.364 17.840 40.818 1.00 30.84 C ANISOU 1897 CG GLN B 18 5085 2081 4551 1486 345 368 C ATOM 1898 CD GLN B 18 20.761 16.903 39.662 1.00 40.64 C ANISOU 1898 CD GLN B 18 6123 3087 6231 2501 -259 -1081 C ATOM 1899 OE1 GLN B 18 21.548 17.324 38.812 1.00 52.02 O ANISOU 1899 OE1 GLN B 18 6152 7235 6377 3050 1103 -1964 O ATOM 1900 NE2 GLN B 18 20.195 15.706 39.626 1.00 49.57 N ANISOU 1900 NE2 GLN B 18 6812 3778 8246 1774 -4468 -1809 N ATOM 0 H GLN B 18 17.266 19.055 41.068 1.00 14.55 H new ATOM 0 HA GLN B 18 19.484 20.276 41.928 1.00 13.88 H new ATOM 0 HB2 GLN B 18 19.213 18.829 39.500 1.00 19.12 H new ATOM 0 HB3 GLN B 18 20.516 19.604 39.866 1.00 19.12 H new ATOM 0 HG2 GLN B 18 21.139 18.049 41.363 1.00 30.84 H new ATOM 0 HG3 GLN B 18 19.719 17.406 41.397 1.00 30.84 H new ATOM 0 HE21 GLN B 18 19.653 15.468 40.249 1.00 49.57 H new ATOM 0 HE22 GLN B 18 20.370 15.167 38.979 1.00 49.57 H new ATOM 1909 N LEU B 19 19.399 22.284 40.384 1.00 13.18 N ANISOU 1909 N LEU B 19 1732 1983 1292 -28 -288 286 N ATOM 1910 CA LEU B 19 19.253 23.390 39.481 1.00 12.09 C ANISOU 1910 CA LEU B 19 1500 1759 1333 89 -240 167 C ATOM 1911 C LEU B 19 20.049 23.165 38.224 1.00 12.33 C ANISOU 1911 C LEU B 19 1742 1509 1435 254 -96 231 C ATOM 1912 O LEU B 19 21.193 22.735 38.301 1.00 15.08 O ANISOU 1912 O LEU B 19 1733 2562 1434 388 -95 230 O ATOM 1913 CB LEU B 19 19.762 24.659 40.143 1.00 14.24 C ANISOU 1913 CB LEU B 19 1917 2046 1447 -347 81 -31 C ATOM 1914 CG LEU B 19 19.017 25.109 41.400 1.00 14.03 C ANISOU 1914 CG LEU B 19 1964 2377 988 -349 -160 22 C ATOM 1915 CD1 LEU B 19 19.582 26.429 41.870 1.00 15.22 C ANISOU 1915 CD1 LEU B 19 1866 2460 1458 -390 80 -234 C ATOM 1916 CD2 LEU B 19 17.532 25.237 41.136 1.00 14.02 C ANISOU 1916 CD2 LEU B 19 1956 2087 1283 -181 -110 -364 C ATOM 0 H LEU B 19 20.010 22.377 40.983 1.00 13.18 H new ATOM 0 HA LEU B 19 18.313 23.473 39.257 1.00 12.09 H new ATOM 0 HB2 LEU B 19 20.696 24.530 40.372 1.00 14.24 H new ATOM 0 HB3 LEU B 19 19.725 25.378 39.493 1.00 14.24 H new ATOM 0 HG LEU B 19 19.138 24.439 42.091 1.00 14.03 H new ATOM 0 HD11 LEU B 19 19.111 26.717 42.668 1.00 15.22 H new ATOM 0 HD12 LEU B 19 20.525 26.324 42.072 1.00 15.22 H new ATOM 0 HD13 LEU B 19 19.473 27.094 41.173 1.00 15.22 H new ATOM 0 HD21 LEU B 19 17.082 25.523 41.947 1.00 14.02 H new ATOM 0 HD22 LEU B 19 17.383 25.892 40.436 1.00 14.02 H new ATOM 0 HD23 LEU B 19 17.178 24.378 40.856 1.00 14.02 H new ATOM 1928 N LYS B 20 19.480 23.471 37.094 1.00 11.26 N ANISOU 1928 N LYS B 20 1404 1526 1348 178 -14 -109 N ATOM 1929 CA LYS B 20 20.088 23.392 35.785 1.00 12.31 C ANISOU 1929 CA LYS B 20 1543 1773 1363 62 162 -87 C ATOM 1930 C LYS B 20 19.668 24.593 34.971 1.00 11.42 C ANISOU 1930 C LYS B 20 1480 1634 1224 -88 23 -243 C ATOM 1931 O LYS B 20 18.679 25.254 35.263 1.00 12.77 O ANISOU 1931 O LYS B 20 1522 1756 1573 -9 258 160 O ATOM 1932 CB LYS B 20 19.666 22.140 35.018 1.00 14.18 C ANISOU 1932 CB LYS B 20 2216 1666 1505 315 130 -227 C ATOM 1933 CG LYS B 20 20.109 20.854 35.721 1.00 15.59 C ANISOU 1933 CG LYS B 20 2124 1796 2003 192 -134 38 C ATOM 1934 CD LYS B 20 19.558 19.632 35.004 1.00 18.65 C ANISOU 1934 CD LYS B 20 3006 1745 2335 -63 172 -132 C ATOM 1935 CE LYS B 20 20.047 18.324 35.581 1.00 26.11 C ANISOU 1935 CE LYS B 20 3827 1786 4309 57 85 286 C ATOM 1936 NZ LYS B 20 21.432 18.079 35.102 1.00 37.87 N ANISOU 1936 NZ LYS B 20 3173 4091 7126 953 -656 542 N ATOM 0 H LYS B 20 18.668 23.752 37.060 1.00 11.26 H new ATOM 0 HA LYS B 20 21.048 23.362 35.918 1.00 12.31 H new ATOM 0 HB2 LYS B 20 18.701 22.135 34.916 1.00 14.18 H new ATOM 0 HB3 LYS B 20 20.046 22.166 34.126 1.00 14.18 H new ATOM 0 HG2 LYS B 20 21.078 20.811 35.746 1.00 15.59 H new ATOM 0 HG3 LYS B 20 19.802 20.861 36.641 1.00 15.59 H new ATOM 0 HD2 LYS B 20 18.589 19.652 35.043 1.00 18.65 H new ATOM 0 HD3 LYS B 20 19.805 19.677 34.067 1.00 18.65 H new ATOM 0 HE2 LYS B 20 20.027 18.356 36.550 1.00 26.11 H new ATOM 0 HE3 LYS B 20 19.464 17.598 35.309 1.00 26.11 H new ATOM 0 HZ1 LYS B 20 21.615 17.210 35.155 1.00 37.87 H new ATOM 0 HZ2 LYS B 20 21.506 18.346 34.256 1.00 37.87 H new ATOM 0 HZ3 LYS B 20 22.006 18.534 35.608 1.00 37.87 H new ATOM 1950 N GLU B 21 20.419 24.850 33.933 1.00 12.86 N ANISOU 1950 N GLU B 21 1832 2032 1024 265 13 -104 N ATOM 1951 CA GLU B 21 20.026 25.857 32.952 1.00 12.59 C ANISOU 1951 CA GLU B 21 1871 1764 1150 -37 -128 -155 C ATOM 1952 C GLU B 21 19.345 25.209 31.766 1.00 11.04 C ANISOU 1952 C GLU B 21 2087 1110 997 -60 -121 162 C ATOM 1953 O GLU B 21 19.730 24.120 31.334 1.00 12.15 O ANISOU 1953 O GLU B 21 1721 1380 1515 127 -212 -149 O ATOM 1954 CB GLU B 21 21.299 26.577 32.567 1.00 15.85 C ANISOU 1954 CB GLU B 21 1996 2296 1731 -381 -120 12 C ATOM 1955 CG GLU B 21 21.134 27.675 31.573 1.00 23.48 C ANISOU 1955 CG GLU B 21 2682 3367 2874 -1108 -746 1174 C ATOM 1956 CD GLU B 21 22.472 28.292 31.217 1.00 28.02 C ANISOU 1956 CD GLU B 21 3358 4063 3226 -1868 -308 914 C ATOM 1957 OE1 GLU B 21 23.234 27.686 30.434 1.00 36.85 O ANISOU 1957 OE1 GLU B 21 3858 5511 4632 -878 807 1504 O ATOM 1958 OE2 GLU B 21 22.720 29.398 31.754 1.00 47.68 O ANISOU 1958 OE2 GLU B 21 5848 7096 5171 -4250 -624 -1605 O ATOM 0 H GLU B 21 21.166 24.457 33.766 1.00 12.86 H new ATOM 0 HA GLU B 21 19.379 26.485 33.310 1.00 12.59 H new ATOM 0 HB2 GLU B 21 21.700 26.945 33.370 1.00 15.85 H new ATOM 0 HB3 GLU B 21 21.925 25.928 32.209 1.00 15.85 H new ATOM 0 HG2 GLU B 21 20.710 27.329 30.772 1.00 23.48 H new ATOM 0 HG3 GLU B 21 20.546 28.357 31.934 1.00 23.48 H new ATOM 1965 N ALA B 22 18.307 25.847 31.248 1.00 10.39 N ANISOU 1965 N ALA B 22 1696 1060 1192 -80 17 -82 N ATOM 1966 CA ALA B 22 17.612 25.290 30.082 1.00 9.72 C ANISOU 1966 CA ALA B 22 1394 1001 1297 -70 16 -90 C ATOM 1967 C ALA B 22 17.066 26.419 29.242 1.00 10.20 C ANISOU 1967 C ALA B 22 1570 1108 1196 132 82 -163 C ATOM 1968 O ALA B 22 16.837 27.534 29.686 1.00 12.26 O ANISOU 1968 O ALA B 22 2484 1106 1069 290 104 -35 O ATOM 1969 CB ALA B 22 16.501 24.346 30.473 1.00 11.23 C ANISOU 1969 CB ALA B 22 1238 1624 1405 -133 -30 261 C ATOM 0 H ALA B 22 17.989 26.589 31.544 1.00 10.39 H new ATOM 0 HA ALA B 22 18.254 24.773 29.570 1.00 9.72 H new ATOM 0 HB1 ALA B 22 16.071 24.003 29.674 1.00 11.23 H new ATOM 0 HB2 ALA B 22 16.868 23.608 30.984 1.00 11.23 H new ATOM 0 HB3 ALA B 22 15.849 24.819 31.013 1.00 11.23 H new ATOM 1975 N LEU B 23 16.885 26.058 27.970 1.00 10.27 N ANISOU 1975 N LEU B 23 1651 983 1267 6 -59 -141 N ATOM 1976 CA LEU B 23 16.452 27.034 26.980 1.00 10.08 C ANISOU 1976 CA LEU B 23 1710 957 1165 -285 3 -150 C ATOM 1977 C LEU B 23 14.941 27.009 26.793 1.00 9.88 C ANISOU 1977 C LEU B 23 1806 1056 892 -276 -152 147 C ATOM 1978 O LEU B 23 14.379 25.937 26.545 1.00 10.72 O ANISOU 1978 O LEU B 23 1624 1048 1401 -229 -366 89 O ATOM 1979 CB LEU B 23 17.190 26.576 25.733 1.00 13.92 C ANISOU 1979 CB LEU B 23 2445 1476 1367 -432 569 -240 C ATOM 1980 CG LEU B 23 17.211 27.390 24.506 1.00 13.99 C ANISOU 1980 CG LEU B 23 2444 1343 1531 -303 554 -146 C ATOM 1981 CD1 LEU B 23 17.940 28.729 24.720 1.00 16.95 C ANISOU 1981 CD1 LEU B 23 2874 1433 2131 -567 489 -158 C ATOM 1982 CD2 LEU B 23 17.863 26.588 23.402 1.00 14.12 C ANISOU 1982 CD2 LEU B 23 2755 1364 1245 80 465 91 C ATOM 0 H LEU B 23 17.007 25.263 27.667 1.00 10.27 H new ATOM 0 HA LEU B 23 16.646 27.952 27.225 1.00 10.08 H new ATOM 0 HB2 LEU B 23 18.114 26.431 25.990 1.00 13.92 H new ATOM 0 HB3 LEU B 23 16.824 25.711 25.491 1.00 13.92 H new ATOM 0 HG LEU B 23 16.299 27.608 24.258 1.00 13.99 H new ATOM 0 HD11 LEU B 23 17.934 29.237 23.893 1.00 16.95 H new ATOM 0 HD12 LEU B 23 17.489 29.236 25.413 1.00 16.95 H new ATOM 0 HD13 LEU B 23 18.857 28.559 24.988 1.00 16.95 H new ATOM 0 HD21 LEU B 23 17.883 27.115 22.588 1.00 14.12 H new ATOM 0 HD22 LEU B 23 18.769 26.359 23.660 1.00 14.12 H new ATOM 0 HD23 LEU B 23 17.356 25.776 23.249 1.00 14.12 H new ATOM 1994 N LEU B 24 14.293 28.152 26.871 1.00 9.96 N ANISOU 1994 N LEU B 24 1762 1069 955 -247 -270 0 N ATOM 1995 CA LEU B 24 12.861 28.171 26.568 1.00 10.19 C ANISOU 1995 CA LEU B 24 1661 1100 1109 -363 -104 -19 C ATOM 1996 C LEU B 24 12.700 28.173 25.075 1.00 9.04 C ANISOU 1996 C LEU B 24 1480 836 1120 -169 -185 19 C ATOM 1997 O LEU B 24 13.140 29.126 24.436 1.00 12.09 O ANISOU 1997 O LEU B 24 2507 884 1203 -448 -293 76 O ATOM 1998 CB LEU B 24 12.244 29.419 27.165 1.00 10.68 C ANISOU 1998 CB LEU B 24 1718 1235 1106 -293 -148 -113 C ATOM 1999 CG LEU B 24 12.379 29.570 28.678 1.00 10.72 C ANISOU 1999 CG LEU B 24 1694 1314 1064 -136 -218 -106 C ATOM 2000 CD1 LEU B 24 11.712 30.844 29.134 1.00 17.64 C ANISOU 2000 CD1 LEU B 24 2591 2101 2011 482 25 -766 C ATOM 2001 CD2 LEU B 24 11.774 28.377 29.389 1.00 14.22 C ANISOU 2001 CD2 LEU B 24 2153 2206 1045 -1004 -112 -65 C ATOM 0 H LEU B 24 14.640 28.908 27.089 1.00 9.96 H new ATOM 0 HA LEU B 24 12.418 27.394 26.944 1.00 10.19 H new ATOM 0 HB2 LEU B 24 12.648 30.193 26.743 1.00 10.68 H new ATOM 0 HB3 LEU B 24 11.301 29.433 26.939 1.00 10.68 H new ATOM 0 HG LEU B 24 13.322 29.613 28.901 1.00 10.72 H new ATOM 0 HD11 LEU B 24 11.803 30.931 30.096 1.00 17.64 H new ATOM 0 HD12 LEU B 24 12.132 31.603 28.700 1.00 17.64 H new ATOM 0 HD13 LEU B 24 10.771 30.819 28.900 1.00 17.64 H new ATOM 0 HD21 LEU B 24 11.868 28.489 30.348 1.00 14.22 H new ATOM 0 HD22 LEU B 24 10.833 28.308 29.163 1.00 14.22 H new ATOM 0 HD23 LEU B 24 12.232 27.568 29.112 1.00 14.22 H new ATOM 2013 N ASP B 25 12.147 27.088 24.541 1.00 8.89 N ANISOU 2013 N ASP B 25 1439 980 959 -311 -100 92 N ATOM 2014 CA ASP B 25 12.287 26.807 23.125 1.00 9.00 C ANISOU 2014 CA ASP B 25 1528 872 1019 -193 -151 99 C ATOM 2015 C ASP B 25 10.961 26.517 22.476 1.00 8.74 C ANISOU 2015 C ASP B 25 1446 1039 836 -234 -2 41 C ATOM 2016 O ASP B 25 10.421 25.416 22.486 1.00 9.52 O ANISOU 2016 O ASP B 25 1542 1095 981 -294 -67 76 O ATOM 2017 CB ASP B 25 13.191 25.580 23.030 1.00 9.38 C ANISOU 2017 CB ASP B 25 1502 1000 1062 -138 7 156 C ATOM 2018 CG ASP B 25 13.649 25.352 21.629 1.00 12.22 C ANISOU 2018 CG ASP B 25 1660 1788 1197 -190 244 -31 C ATOM 2019 OD1 ASP B 25 13.026 25.914 20.702 1.00 13.30 O ANISOU 2019 OD1 ASP B 25 1806 2270 978 -443 -21 -112 O ATOM 2020 OD2 ASP B 25 14.629 24.601 21.499 1.00 17.88 O ANISOU 2020 OD2 ASP B 25 2188 3085 1520 568 214 -500 O ATOM 0 H ASP B 25 11.690 26.508 24.982 1.00 8.89 H new ATOM 0 HA ASP B 25 12.657 27.576 22.663 1.00 9.00 H new ATOM 0 HB2 ASP B 25 13.960 25.697 23.609 1.00 9.38 H new ATOM 0 HB3 ASP B 25 12.713 24.798 23.348 1.00 9.38 H new ATOM 2025 N THR B 26 10.451 27.546 21.795 1.00 9.42 N ANISOU 2025 N THR B 26 1399 1117 1063 -225 -134 142 N ATOM 2026 CA THR B 26 9.158 27.438 21.159 1.00 9.01 C ANISOU 2026 CA THR B 26 1313 1067 1043 -226 -22 1 C ATOM 2027 C THR B 26 9.194 26.542 19.929 1.00 9.50 C ANISOU 2027 C THR B 26 1490 1143 976 -76 -114 14 C ATOM 2028 O THR B 26 8.127 26.118 19.495 1.00 9.67 O ANISOU 2028 O THR B 26 1541 1085 1050 -142 -51 -124 O ATOM 2029 CB THR B 26 8.611 28.809 20.730 1.00 9.00 C ANISOU 2029 CB THR B 26 1091 1176 1153 -86 82 -31 C ATOM 2030 OG1 THR B 26 9.536 29.448 19.865 1.00 9.49 O ANISOU 2030 OG1 THR B 26 1425 1034 1146 -132 227 -47 O ATOM 2031 CG2 THR B 26 8.424 29.674 21.967 1.00 10.77 C ANISOU 2031 CG2 THR B 26 1618 1436 1037 241 99 -26 C ATOM 0 H THR B 26 10.842 28.306 21.695 1.00 9.42 H new ATOM 0 HA THR B 26 8.576 27.047 21.829 1.00 9.01 H new ATOM 0 HB THR B 26 7.766 28.687 20.269 1.00 9.00 H new ATOM 0 HG1 THR B 26 9.265 29.390 19.072 1.00 9.49 H new ATOM 0 HG21 THR B 26 8.079 30.542 21.706 1.00 10.77 H new ATOM 0 HG22 THR B 26 7.797 29.245 22.570 1.00 10.77 H new ATOM 0 HG23 THR B 26 9.277 29.787 22.415 1.00 10.77 H new ATOM 2039 N GLY B 27 10.359 26.230 19.426 1.00 9.50 N ANISOU 2039 N GLY B 27 1514 1066 1032 -82 -68 -35 N ATOM 2040 CA GLY B 27 10.532 25.341 18.289 1.00 9.25 C ANISOU 2040 CA GLY B 27 1523 1090 901 -216 -121 -7 C ATOM 2041 C GLY B 27 10.603 23.875 18.682 1.00 9.10 C ANISOU 2041 C GLY B 27 1460 1076 922 -49 -183 25 C ATOM 2042 O GLY B 27 10.788 23.022 17.814 1.00 12.28 O ANISOU 2042 O GLY B 27 2625 1123 918 -271 30 -42 O ATOM 0 H GLY B 27 11.100 26.534 19.739 1.00 9.50 H new ATOM 0 HA2 GLY B 27 9.796 25.469 17.671 1.00 9.25 H new ATOM 0 HA3 GLY B 27 11.344 25.583 17.817 1.00 9.25 H new ATOM 2046 N ALA B 28 10.479 23.605 19.972 1.00 8.89 N ANISOU 2046 N ALA B 28 1567 849 960 -165 -33 -79 N ATOM 2047 CA ALA B 28 10.554 22.235 20.472 1.00 8.92 C ANISOU 2047 CA ALA B 28 1683 880 826 -113 86 -79 C ATOM 2048 C ALA B 28 9.174 21.763 20.907 1.00 8.88 C ANISOU 2048 C ALA B 28 1489 811 1073 54 9 138 C ATOM 2049 O ALA B 28 8.538 22.363 21.750 1.00 9.67 O ANISOU 2049 O ALA B 28 1547 895 1232 -20 72 -14 O ATOM 2050 CB ALA B 28 11.551 22.119 21.622 1.00 9.37 C ANISOU 2050 CB ALA B 28 1585 963 1011 -6 -17 -125 C ATOM 0 H ALA B 28 10.350 24.200 20.579 1.00 8.89 H new ATOM 0 HA ALA B 28 10.869 21.665 19.753 1.00 8.92 H new ATOM 0 HB1 ALA B 28 11.580 21.201 21.934 1.00 9.37 H new ATOM 0 HB2 ALA B 28 12.432 22.384 21.315 1.00 9.37 H new ATOM 0 HB3 ALA B 28 11.275 22.698 22.349 1.00 9.37 H new ATOM 2056 N ASP B 29 8.746 20.619 20.375 1.00 9.03 N ANISOU 2056 N ASP B 29 1267 936 1228 124 6 -58 N ATOM 2057 CA ASP B 29 7.476 20.067 20.835 1.00 9.88 C ANISOU 2057 CA ASP B 29 1382 1015 1359 -16 -110 -18 C ATOM 2058 C ASP B 29 7.568 19.619 22.268 1.00 10.47 C ANISOU 2058 C ASP B 29 1484 1176 1319 -16 7 3 C ATOM 2059 O ASP B 29 6.630 19.711 23.014 1.00 12.37 O ANISOU 2059 O ASP B 29 1611 1556 1534 18 113 -3 O ATOM 2060 CB ASP B 29 7.108 18.884 19.966 1.00 12.04 C ANISOU 2060 CB ASP B 29 1862 1169 1545 -205 -298 -88 C ATOM 2061 CG ASP B 29 6.868 19.130 18.504 1.00 11.63 C ANISOU 2061 CG ASP B 29 1595 1328 1495 63 -208 -218 C ATOM 2062 OD1 ASP B 29 6.684 20.284 18.100 1.00 12.15 O ANISOU 2062 OD1 ASP B 29 1943 1411 1262 -112 -63 -45 O ATOM 2063 OD2 ASP B 29 6.846 18.114 17.792 1.00 15.58 O ANISOU 2063 OD2 ASP B 29 2569 1557 1795 237 -827 -465 O ATOM 0 H ASP B 29 9.157 20.164 19.772 1.00 9.03 H new ATOM 0 HA ASP B 29 6.798 20.758 20.773 1.00 9.88 H new ATOM 0 HB2 ASP B 29 7.817 18.226 20.044 1.00 12.04 H new ATOM 0 HB3 ASP B 29 6.306 18.482 20.335 1.00 12.04 H new ATOM 2068 N ASP B 30 8.722 19.081 22.603 1.00 9.66 N ANISOU 2068 N ASP B 30 1406 1150 1115 -268 -56 120 N ATOM 2069 CA ASP B 30 8.981 18.334 23.812 1.00 9.51 C ANISOU 2069 CA ASP B 30 1483 1147 983 -214 66 38 C ATOM 2070 C ASP B 30 10.174 18.928 24.545 1.00 10.25 C ANISOU 2070 C ASP B 30 1369 1358 1167 -148 -53 99 C ATOM 2071 O ASP B 30 10.941 19.711 24.019 1.00 10.49 O ANISOU 2071 O ASP B 30 1438 1228 1320 -263 -6 18 O ATOM 2072 CB ASP B 30 9.327 16.898 23.416 1.00 12.04 C ANISOU 2072 CB ASP B 30 2106 1153 1314 21 -166 32 C ATOM 2073 CG ASP B 30 8.229 16.195 22.686 1.00 14.00 C ANISOU 2073 CG ASP B 30 2547 1374 1397 -658 73 -14 C ATOM 2074 OD1 ASP B 30 7.068 16.374 23.031 1.00 17.92 O ANISOU 2074 OD1 ASP B 30 2320 2251 2236 -609 -75 -97 O ATOM 2075 OD2 ASP B 30 8.562 15.459 21.734 1.00 20.03 O ANISOU 2075 OD2 ASP B 30 3634 2269 1708 -862 273 -639 O ATOM 0 H ASP B 30 9.417 19.146 22.101 1.00 9.66 H new ATOM 0 HA ASP B 30 8.201 18.363 24.388 1.00 9.51 H new ATOM 0 HB2 ASP B 30 10.121 16.907 22.859 1.00 12.04 H new ATOM 0 HB3 ASP B 30 9.547 16.395 24.215 1.00 12.04 H new ATOM 2080 N THR B 31 10.320 18.543 25.783 1.00 9.60 N ANISOU 2080 N THR B 31 1320 1124 1204 -226 -59 45 N ATOM 2081 CA THR B 31 11.357 18.976 26.678 1.00 8.85 C ANISOU 2081 CA THR B 31 1025 1144 1195 -21 19 -73 C ATOM 2082 C THR B 31 12.406 17.889 26.717 1.00 9.24 C ANISOU 2082 C THR B 31 1215 945 1351 -67 98 -231 C ATOM 2083 O THR B 31 12.094 16.719 26.987 1.00 10.87 O ANISOU 2083 O THR B 31 1609 961 1559 -110 186 -86 O ATOM 2084 CB THR B 31 10.741 19.206 28.075 1.00 8.59 C ANISOU 2084 CB THR B 31 925 1121 1218 -69 0 -85 C ATOM 2085 OG1 THR B 31 9.894 20.359 27.988 1.00 9.50 O ANISOU 2085 OG1 THR B 31 1279 1261 1070 88 -20 -72 O ATOM 2086 CG2 THR B 31 11.776 19.463 29.132 1.00 9.91 C ANISOU 2086 CG2 THR B 31 1267 1276 1222 -4 -199 -45 C ATOM 0 H THR B 31 9.780 17.983 26.151 1.00 9.60 H new ATOM 0 HA THR B 31 11.763 19.807 26.385 1.00 8.85 H new ATOM 0 HB THR B 31 10.258 18.404 28.329 1.00 8.59 H new ATOM 0 HG1 THR B 31 9.162 20.143 27.638 1.00 9.50 H new ATOM 0 HG21 THR B 31 11.339 19.600 29.987 1.00 9.91 H new ATOM 0 HG22 THR B 31 12.372 18.701 29.193 1.00 9.91 H new ATOM 0 HG23 THR B 31 12.287 20.254 28.900 1.00 9.91 H new ATOM 2094 N VAL B 32 13.663 18.235 26.458 1.00 9.63 N ANISOU 2094 N VAL B 32 1149 1011 1500 95 162 -23 N ATOM 2095 CA VAL B 32 14.744 17.289 26.377 1.00 9.95 C ANISOU 2095 CA VAL B 32 1267 853 1660 214 -7 59 C ATOM 2096 C VAL B 32 15.887 17.779 27.263 1.00 10.40 C ANISOU 2096 C VAL B 32 1299 918 1735 -36 -43 188 C ATOM 2097 O VAL B 32 16.343 18.910 27.106 1.00 11.81 O ANISOU 2097 O VAL B 32 1569 883 2034 -116 231 133 O ATOM 2098 CB VAL B 32 15.319 17.116 24.961 1.00 17.71 C ANISOU 2098 CB VAL B 32 2669 2155 1905 948 184 -1003 C ATOM 2099 CG1 VAL B 32 16.240 15.887 24.979 1.00 17.77 C ANISOU 2099 CG1 VAL B 32 3044 1980 1727 896 -13 -933 C ATOM 2100 CG2 VAL B 32 14.191 17.038 23.988 1.00 21.58 C ANISOU 2100 CG2 VAL B 32 4263 1978 1960 896 -774 -78 C ATOM 0 H VAL B 32 13.907 19.048 26.323 1.00 9.63 H new ATOM 0 HA VAL B 32 14.378 16.435 26.657 1.00 9.95 H new ATOM 0 HB VAL B 32 15.859 17.870 24.676 1.00 17.71 H new ATOM 0 HG11 VAL B 32 16.618 15.753 24.096 1.00 17.77 H new ATOM 0 HG12 VAL B 32 16.955 16.028 25.619 1.00 17.77 H new ATOM 0 HG13 VAL B 32 15.729 15.103 25.234 1.00 17.77 H new ATOM 0 HG21 VAL B 32 14.544 16.929 23.091 1.00 21.58 H new ATOM 0 HG22 VAL B 32 13.626 16.281 24.207 1.00 21.58 H new ATOM 0 HG23 VAL B 32 13.668 17.854 24.032 1.00 21.58 H new ATOM 2110 N ILE B 33 16.303 16.960 28.219 1.00 10.83 N ANISOU 2110 N ILE B 33 1413 813 1891 93 -203 68 N ATOM 2111 CA ILE B 33 17.373 17.307 29.132 1.00 11.23 C ANISOU 2111 CA ILE B 33 1333 840 2095 67 -280 226 C ATOM 2112 C ILE B 33 18.511 16.336 28.966 1.00 11.88 C ANISOU 2112 C ILE B 33 1347 1064 2104 90 -287 -102 C ATOM 2113 O ILE B 33 18.344 15.170 28.578 1.00 13.55 O ANISOU 2113 O ILE B 33 1588 1146 2415 117 -219 -360 O ATOM 2114 CB AILE B 33 16.826 17.282 30.566 0.50 15.41 C ATOM 2115 CB BILE B 33 16.826 17.282 30.566 0.50 15.41 C ATOM 2116 CG1AILE B 33 15.523 18.097 30.743 0.50 22.04 C ATOM 2117 CG1BILE B 33 16.464 15.915 31.003 0.50 13.60 C ATOM 2118 CG2AILE B 33 17.810 17.623 31.676 0.50 14.66 C ATOM 2119 CG2BILE B 33 15.706 18.328 30.683 0.50 21.38 C ATOM 2120 CD1AILE B 33 15.748 19.575 30.768 0.50 13.32 C ATOM 2121 CD1BILE B 33 16.122 15.991 32.480 0.50 31.62 C ATOM 0 H ILE B 33 15.967 16.180 28.355 1.00 10.83 H new ATOM 0 HA ILE B 33 17.708 18.197 28.941 1.00 11.23 H new ATOM 0 HB AILE B 33 16.629 16.339 30.677 0.50 15.41 H new ATOM 0 HB BILE B 33 17.518 17.536 31.197 0.50 15.41 H new ATOM 0 HG12AILE B 33 14.913 17.881 30.020 0.50 13.60 H new ATOM 0 HG12BILE B 33 15.709 15.582 30.494 0.50 13.60 H new ATOM 0 HG13AILE B 33 15.090 17.828 31.569 0.50 13.60 H new ATOM 0 HG13BILE B 33 17.200 15.302 30.853 0.50 13.60 H new ATOM 0 HG21AILE B 33 17.359 17.576 32.534 0.50 21.38 H new ATOM 0 HG21BILE B 33 15.351 18.323 31.586 0.50 21.38 H new ATOM 0 HG22AILE B 33 18.545 16.990 31.663 0.50 21.38 H new ATOM 0 HG22BILE B 33 16.062 19.207 30.481 0.50 21.38 H new ATOM 0 HG23AILE B 33 18.153 18.520 31.540 0.50 21.38 H new ATOM 0 HG23BILE B 33 14.997 18.115 30.056 0.50 21.38 H new ATOM 0 HD11AILE B 33 14.899 20.030 30.881 0.50 31.62 H new ATOM 0 HD11BILE B 33 15.879 15.109 32.802 0.50 31.62 H new ATOM 0 HD12AILE B 33 16.336 19.801 31.506 0.50 31.62 H new ATOM 0 HD12BILE B 33 16.891 16.314 32.974 0.50 31.62 H new ATOM 0 HD13AILE B 33 16.156 19.855 29.933 0.50 31.62 H new ATOM 0 HD13BILE B 33 15.377 16.599 32.609 0.50 31.62 H new ATOM 2142 N GLU B 34 19.684 16.845 29.263 1.00 12.98 N ANISOU 2142 N GLU B 34 1336 1187 2407 156 -241 -306 N ATOM 2143 CA GLU B 34 20.911 16.086 29.268 1.00 14.43 C ANISOU 2143 CA GLU B 34 1361 1682 2442 378 -445 -354 C ATOM 2144 C GLU B 34 20.838 14.966 30.283 1.00 14.49 C ANISOU 2144 C GLU B 34 1301 1780 2424 564 -459 -339 C ATOM 2145 O GLU B 34 20.027 15.047 31.188 1.00 17.11 O ANISOU 2145 O GLU B 34 2037 2097 2365 946 -157 -130 O ATOM 2146 CB GLU B 34 22.066 17.008 29.626 1.00 18.23 C ANISOU 2146 CB GLU B 34 1353 1960 3612 262 -563 -480 C ATOM 2147 CG GLU B 34 22.376 18.021 28.534 1.00 31.46 C ANISOU 2147 CG GLU B 34 3248 3671 5035 -1207 273 460 C ATOM 2148 CD GLU B 34 23.432 18.983 29.034 1.00 45.01 C ANISOU 2148 CD GLU B 34 4401 5497 7204 -2873 78 497 C ATOM 2149 OE1 GLU B 34 23.532 19.034 30.288 1.00 53.58 O ANISOU 2149 OE1 GLU B 34 3984 9009 7366 -3787 367 -1776 O ATOM 2150 OE2 GLU B 34 24.106 19.605 28.205 1.00 59.54 O ANISOU 2150 OE2 GLU B 34 6219 6951 9454 -4108 -1054 3551 O ATOM 0 H GLU B 34 19.793 17.671 29.475 1.00 12.98 H new ATOM 0 HA GLU B 34 21.047 15.703 28.387 1.00 14.43 H new ATOM 0 HB2 GLU B 34 21.855 17.479 30.447 1.00 18.23 H new ATOM 0 HB3 GLU B 34 22.857 16.475 29.800 1.00 18.23 H new ATOM 0 HG2 GLU B 34 22.688 17.567 27.736 1.00 31.46 H new ATOM 0 HG3 GLU B 34 21.572 18.505 28.289 1.00 31.46 H new ATOM 2157 N GLU B 35 21.698 13.971 30.103 1.00 15.94 N ANISOU 2157 N GLU B 35 1597 1909 2549 746 -372 -227 N ATOM 2158 CA GLU B 35 21.645 12.804 30.986 1.00 17.68 C ANISOU 2158 CA GLU B 35 1818 2300 2601 1245 -76 44 C ATOM 2159 C GLU B 35 21.615 13.166 32.472 1.00 16.72 C ANISOU 2159 C GLU B 35 1689 2003 2660 531 -319 -8 C ATOM 2160 O GLU B 35 22.428 13.983 32.931 1.00 20.56 O ANISOU 2160 O GLU B 35 2461 1848 3504 175 -710 199 O ATOM 2161 CB AGLU B 35 22.861 11.910 30.736 0.50 19.05 C ATOM 2162 CB BGLU B 35 22.861 11.910 30.736 0.50 19.05 C ATOM 2163 CG AGLU B 35 22.819 11.125 29.438 0.50 20.05 C ATOM 2164 CG BGLU B 35 22.936 10.721 31.677 0.50 19.74 C ATOM 2165 CD AGLU B 35 21.755 10.028 29.553 0.50 18.64 C ATOM 2166 CD BGLU B 35 21.847 9.688 31.405 0.50 19.40 C ATOM 2167 OE1AGLU B 35 21.423 9.492 28.489 0.50 22.25 O ATOM 2168 OE1BGLU B 35 21.337 9.134 32.390 0.50 24.67 O ATOM 2169 OE2AGLU B 35 21.278 9.780 30.683 0.50 15.93 O ATOM 2170 OE2BGLU B 35 21.547 9.433 30.218 0.50 25.16 O ATOM 0 H GLU B 35 22.305 13.947 29.494 1.00 15.94 H new ATOM 0 HA GLU B 35 20.816 12.345 30.777 1.00 17.68 H new ATOM 0 HB2AGLU B 35 23.659 12.462 30.739 0.50 19.05 H new ATOM 0 HB2BGLU B 35 22.836 11.589 29.821 0.50 19.05 H new ATOM 0 HB3AGLU B 35 22.945 11.286 31.474 0.50 19.05 H new ATOM 0 HB3BGLU B 35 23.668 12.439 30.829 0.50 19.05 H new ATOM 0 HG2AGLU B 35 22.613 11.715 28.696 0.50 19.74 H new ATOM 0 HG2BGLU B 35 23.805 10.300 31.591 0.50 19.74 H new ATOM 0 HG3AGLU B 35 23.687 10.732 29.256 0.50 19.74 H new ATOM 0 HG3BGLU B 35 22.860 11.032 32.593 0.50 19.74 H new ATOM 2181 N MET B 36 20.686 12.547 33.163 1.00 16.62 N ANISOU 2181 N MET B 36 2020 1908 2386 450 -370 87 N ATOM 2182 CA MET B 36 20.542 12.665 34.602 1.00 17.07 C ANISOU 2182 CA MET B 36 2085 1962 2438 155 -448 -129 C ATOM 2183 C MET B 36 19.663 11.506 35.038 1.00 18.38 C ANISOU 2183 C MET B 36 2479 2073 2432 12 -422 101 C ATOM 2184 O MET B 36 19.067 10.824 34.184 1.00 20.12 O ANISOU 2184 O MET B 36 3308 1644 2692 -186 -616 176 O ATOM 2185 CB MET B 36 19.916 14.009 34.988 1.00 19.14 C ANISOU 2185 CB MET B 36 2848 1977 2446 274 -100 26 C ATOM 2186 CG MET B 36 18.452 14.067 34.613 1.00 22.41 C ANISOU 2186 CG MET B 36 2660 2619 3236 897 340 618 C ATOM 2187 SD MET B 36 17.721 15.587 35.312 1.00 22.31 S ANISOU 2187 SD MET B 36 3181 2170 3127 493 157 373 S ATOM 2188 CE MET B 36 17.756 15.230 37.066 1.00 25.56 C ANISOU 2188 CE MET B 36 3968 2749 2993 993 -646 208 C ATOM 0 H MET B 36 20.102 12.030 32.802 1.00 16.62 H new ATOM 0 HA MET B 36 21.406 12.633 35.042 1.00 17.07 H new ATOM 0 HB2 MET B 36 20.012 14.150 35.943 1.00 19.14 H new ATOM 0 HB3 MET B 36 20.393 14.728 34.546 1.00 19.14 H new ATOM 0 HG2 MET B 36 18.353 14.060 33.648 1.00 22.41 H new ATOM 0 HG3 MET B 36 17.988 13.285 34.952 1.00 22.41 H new ATOM 0 HE1 MET B 36 16.896 15.448 37.458 1.00 25.56 H new ATOM 0 HE2 MET B 36 17.943 14.288 37.201 1.00 25.56 H new ATOM 0 HE3 MET B 36 18.448 15.761 37.491 1.00 25.56 H new ATOM 2198 N SER B 37 19.627 11.292 36.328 1.00 20.76 N ANISOU 2198 N SER B 37 2996 2299 2592 358 -837 618 N ATOM 2199 CA SER B 37 18.812 10.236 36.886 1.00 22.08 C ANISOU 2199 CA SER B 37 2948 2588 2854 488 -513 909 C ATOM 2200 C SER B 37 17.429 10.773 37.217 1.00 20.89 C ANISOU 2200 C SER B 37 2870 2222 2846 346 -811 115 C ATOM 2201 O SER B 37 17.316 11.787 37.885 1.00 21.24 O ANISOU 2201 O SER B 37 2722 2296 3051 -246 -789 -126 O ATOM 2202 CB ASER B 37 19.456 9.678 38.159 0.50 25.80 C ATOM 2203 CB BSER B 37 19.456 9.678 38.159 0.50 25.80 C ATOM 2204 OG ASER B 37 20.773 9.216 37.870 0.50 30.39 O ATOM 2205 OG BSER B 37 18.433 9.122 38.964 0.50 31.02 O ATOM 0 H SER B 37 20.069 11.749 36.907 1.00 20.76 H new ATOM 0 HA SER B 37 18.739 9.525 36.231 1.00 22.08 H new ATOM 0 HB2ASER B 37 19.488 10.365 38.843 0.50 25.80 H new ATOM 0 HB2BSER B 37 20.116 9.003 37.936 0.50 25.80 H new ATOM 0 HB3ASER B 37 18.919 8.951 38.511 0.50 25.80 H new ATOM 0 HB3BSER B 37 19.920 10.381 38.640 0.50 25.80 H new ATOM 0 HG ASER B 37 21.124 8.912 38.570 0.50 31.02 H new ATOM 0 HG BSER B 37 18.769 8.809 39.668 0.50 31.02 H new ATOM 2214 N LEU B 38 16.445 10.055 36.708 1.00 17.30 N ANISOU 2214 N LEU B 38 2948 1412 2213 211 118 -117 N ATOM 2215 CA LEU B 38 15.062 10.333 37.038 1.00 16.82 C ANISOU 2215 CA LEU B 38 2904 1637 1852 -89 116 -307 C ATOM 2216 C LEU B 38 14.408 9.043 37.519 1.00 18.01 C ANISOU 2216 C LEU B 38 3186 1442 2214 3 139 -204 C ATOM 2217 O LEU B 38 14.835 7.984 37.110 1.00 19.83 O ANISOU 2217 O LEU B 38 3441 1599 2494 609 41 27 O ATOM 2218 CB LEU B 38 14.329 10.865 35.816 1.00 16.02 C ANISOU 2218 CB LEU B 38 2573 1486 2028 -241 121 -235 C ATOM 2219 CG LEU B 38 14.761 12.251 35.358 1.00 14.62 C ANISOU 2219 CG LEU B 38 1451 1360 2743 -33 -162 -120 C ATOM 2220 CD1 LEU B 38 14.033 12.583 34.059 1.00 19.01 C ANISOU 2220 CD1 LEU B 38 2894 1414 2914 -335 -793 12 C ATOM 2221 CD2 LEU B 38 14.519 13.288 36.430 1.00 18.05 C ANISOU 2221 CD2 LEU B 38 2389 1531 2936 -114 -439 -378 C ATOM 0 H LEU B 38 16.558 9.397 36.165 1.00 17.30 H new ATOM 0 HA LEU B 38 15.019 11.005 37.736 1.00 16.82 H new ATOM 0 HB2 LEU B 38 14.457 10.243 35.083 1.00 16.02 H new ATOM 0 HB3 LEU B 38 13.379 10.885 36.009 1.00 16.02 H new ATOM 0 HG LEU B 38 15.717 12.258 35.193 1.00 14.62 H new ATOM 0 HD11 LEU B 38 14.299 13.465 33.755 1.00 19.01 H new ATOM 0 HD12 LEU B 38 14.261 11.926 33.383 1.00 19.01 H new ATOM 0 HD13 LEU B 38 13.075 12.570 34.212 1.00 19.01 H new ATOM 0 HD21 LEU B 38 14.804 14.158 36.109 1.00 18.05 H new ATOM 0 HD22 LEU B 38 13.574 13.317 36.645 1.00 18.05 H new ATOM 0 HD23 LEU B 38 15.024 13.056 37.225 1.00 18.05 H new ATOM 2233 N PRO B 39 13.406 9.212 38.346 1.00 19.27 N ANISOU 2233 N PRO B 39 3685 1405 2233 -527 483 -614 N ATOM 2234 CA PRO B 39 12.700 8.065 38.894 1.00 20.38 C ANISOU 2234 CA PRO B 39 4347 1536 1861 -631 426 -412 C ATOM 2235 C PRO B 39 11.700 7.440 37.933 1.00 18.96 C ANISOU 2235 C PRO B 39 3594 1559 2052 -662 549 -135 C ATOM 2236 O PRO B 39 11.184 8.074 37.029 1.00 20.41 O ANISOU 2236 O PRO B 39 4115 1626 2015 -412 420 -275 O ATOM 2237 CB PRO B 39 11.931 8.666 40.087 1.00 24.14 C ANISOU 2237 CB PRO B 39 5031 2012 2131 -426 932 -414 C ATOM 2238 CG PRO B 39 11.679 10.063 39.641 1.00 26.25 C ANISOU 2238 CG PRO B 39 4681 1893 3399 -364 1675 -340 C ATOM 2239 CD PRO B 39 12.870 10.497 38.837 1.00 19.60 C ANISOU 2239 CD PRO B 39 3030 1478 2940 -270 370 -500 C ATOM 0 HA PRO B 39 13.322 7.353 39.112 1.00 20.38 H new ATOM 0 HB2 PRO B 39 11.105 8.188 40.261 1.00 24.14 H new ATOM 0 HB3 PRO B 39 12.453 8.637 40.904 1.00 24.14 H new ATOM 0 HG2 PRO B 39 10.870 10.111 39.107 1.00 26.25 H new ATOM 0 HG3 PRO B 39 11.550 10.648 40.404 1.00 26.25 H new ATOM 0 HD2 PRO B 39 12.619 11.086 38.108 1.00 19.60 H new ATOM 0 HD3 PRO B 39 13.517 10.975 39.379 1.00 19.60 H new ATOM 2247 N GLY B 40 11.449 6.169 38.190 1.00 18.85 N ANISOU 2247 N GLY B 40 3691 1474 1995 -527 434 -285 N ATOM 2248 CA GLY B 40 10.402 5.436 37.530 1.00 18.45 C ANISOU 2248 CA GLY B 40 3329 1447 2235 -368 652 -564 C ATOM 2249 C GLY B 40 10.863 4.801 36.239 1.00 17.35 C ANISOU 2249 C GLY B 40 3016 1829 1748 -356 523 -292 C ATOM 2250 O GLY B 40 12.037 4.774 35.836 1.00 20.41 O ANISOU 2250 O GLY B 40 3039 2346 2371 -776 747 -634 O ATOM 0 H GLY B 40 11.892 5.705 38.763 1.00 18.85 H new ATOM 0 HA2 GLY B 40 10.070 4.746 38.125 1.00 18.45 H new ATOM 0 HA3 GLY B 40 9.660 6.033 37.346 1.00 18.45 H new ATOM 2254 N ARG B 41 9.828 4.302 35.592 1.00 16.04 N ANISOU 2254 N ARG B 41 2741 1664 1688 -73 580 -152 N ATOM 2255 CA ARG B 41 10.046 3.705 34.282 1.00 12.48 C ANISOU 2255 CA ARG B 41 1877 1296 1570 276 278 92 C ATOM 2256 C ARG B 41 10.055 4.745 33.188 1.00 12.60 C ANISOU 2256 C ARG B 41 1989 1094 1703 193 278 39 C ATOM 2257 O ARG B 41 9.448 5.780 33.267 1.00 17.37 O ANISOU 2257 O ARG B 41 3190 1115 2296 560 825 155 O ATOM 2258 CB ARG B 41 8.942 2.683 33.991 1.00 16.50 C ANISOU 2258 CB ARG B 41 2822 1445 2001 -299 175 163 C ATOM 2259 CG ARG B 41 9.122 1.488 34.908 1.00 15.35 C ANISOU 2259 CG ARG B 41 2409 1459 1964 -3 697 150 C ATOM 2260 CD ARG B 41 8.144 0.392 34.586 1.00 13.95 C ANISOU 2260 CD ARG B 41 2351 1113 1837 336 404 120 C ATOM 2261 NE ARG B 41 8.267 -0.139 33.230 1.00 15.10 N ANISOU 2261 NE ARG B 41 2317 1514 1906 452 381 58 N ATOM 2262 CZ ARG B 41 9.090 -1.109 32.851 1.00 11.97 C ANISOU 2262 CZ ARG B 41 1858 1094 1595 -64 319 35 C ATOM 2263 NH1 ARG B 41 9.922 -1.667 33.702 1.00 12.91 N ANISOU 2263 NH1 ARG B 41 2293 887 1726 102 46 -72 N ATOM 2264 NH2 ARG B 41 9.049 -1.473 31.575 1.00 14.77 N ANISOU 2264 NH2 ARG B 41 2603 1314 1695 -179 23 -251 N ATOM 0 H ARG B 41 9.017 4.295 35.877 1.00 16.04 H new ATOM 0 HA ARG B 41 10.914 3.271 34.297 1.00 12.48 H new ATOM 0 HB2 ARG B 41 8.070 3.084 34.130 1.00 16.50 H new ATOM 0 HB3 ARG B 41 8.981 2.402 33.063 1.00 16.50 H new ATOM 0 HG2 ARG B 41 10.027 1.149 34.826 1.00 15.35 H new ATOM 0 HG3 ARG B 41 9.006 1.766 35.830 1.00 15.35 H new ATOM 0 HD2 ARG B 41 8.266 -0.333 35.219 1.00 13.95 H new ATOM 0 HD3 ARG B 41 7.243 0.729 34.710 1.00 13.95 H new ATOM 0 HE ARG B 41 7.763 0.207 32.625 1.00 15.10 H new ATOM 0 HH11 ARG B 41 9.940 -1.405 34.521 1.00 12.91 H new ATOM 0 HH12 ARG B 41 10.449 -2.294 33.440 1.00 12.91 H new ATOM 0 HH21 ARG B 41 8.505 -1.084 31.034 1.00 14.77 H new ATOM 0 HH22 ARG B 41 9.566 -2.098 31.289 1.00 14.77 H new ATOM 2278 N TRP B 42 10.775 4.389 32.133 1.00 12.99 N ANISOU 2278 N TRP B 42 1978 1104 1852 146 522 203 N ATOM 2279 CA TRP B 42 10.771 5.183 30.950 1.00 12.23 C ANISOU 2279 CA TRP B 42 1982 808 1858 -98 383 102 C ATOM 2280 C TRP B 42 10.297 4.377 29.755 1.00 12.29 C ANISOU 2280 C TRP B 42 2126 631 1912 -109 390 97 C ATOM 2281 O TRP B 42 10.322 3.147 29.786 1.00 13.22 O ANISOU 2281 O TRP B 42 2358 676 1988 -6 53 162 O ATOM 2282 CB TRP B 42 12.146 5.809 30.681 1.00 12.12 C ANISOU 2282 CB TRP B 42 1715 1182 1710 46 198 295 C ATOM 2283 CG TRP B 42 13.293 4.848 30.526 1.00 13.47 C ANISOU 2283 CG TRP B 42 2046 779 2293 142 316 369 C ATOM 2284 CD1 TRP B 42 14.018 4.217 31.469 1.00 13.49 C ANISOU 2284 CD1 TRP B 42 1567 1183 2375 -160 33 330 C ATOM 2285 CD2 TRP B 42 13.856 4.437 29.288 1.00 12.47 C ANISOU 2285 CD2 TRP B 42 1649 775 2314 43 54 114 C ATOM 2286 NE1 TRP B 42 14.998 3.410 30.944 1.00 13.53 N ANISOU 2286 NE1 TRP B 42 1558 1039 2545 -129 -22 402 N ATOM 2287 CE2 TRP B 42 14.912 3.548 29.586 1.00 12.72 C ANISOU 2287 CE2 TRP B 42 1797 528 2508 -1 66 272 C ATOM 2288 CE3 TRP B 42 13.519 4.785 27.982 1.00 13.87 C ANISOU 2288 CE3 TRP B 42 2237 750 2285 375 80 158 C ATOM 2289 CZ2 TRP B 42 15.663 2.970 28.576 1.00 13.85 C ANISOU 2289 CZ2 TRP B 42 1759 766 2736 95 -222 -324 C ATOM 2290 CZ3 TRP B 42 14.251 4.225 26.984 1.00 13.61 C ANISOU 2290 CZ3 TRP B 42 1883 936 2353 29 40 -80 C ATOM 2291 CH2 TRP B 42 15.298 3.339 27.303 1.00 13.85 C ANISOU 2291 CH2 TRP B 42 1563 1090 2609 -28 99 -216 C ATOM 0 H TRP B 42 11.270 3.686 32.096 1.00 12.99 H new ATOM 0 HA TRP B 42 10.145 5.910 31.092 1.00 12.23 H new ATOM 0 HB2 TRP B 42 12.085 6.344 29.874 1.00 12.12 H new ATOM 0 HB3 TRP B 42 12.353 6.416 31.409 1.00 12.12 H new ATOM 0 HD1 TRP B 42 13.871 4.317 32.382 1.00 13.49 H new ATOM 0 HE1 TRP B 42 15.553 2.918 31.380 1.00 13.53 H new ATOM 0 HE3 TRP B 42 12.823 5.375 27.801 1.00 13.87 H new ATOM 0 HZ2 TRP B 42 16.360 2.378 28.746 1.00 13.85 H new ATOM 0 HZ3 TRP B 42 14.062 4.425 26.096 1.00 13.61 H new ATOM 0 HH2 TRP B 42 15.781 2.975 26.597 1.00 13.85 H new ATOM 2302 N LYS B 43 9.901 5.120 28.745 1.00 14.08 N ANISOU 2302 N LYS B 43 2653 611 2086 -349 18 190 N ATOM 2303 CA LYS B 43 9.475 4.583 27.461 1.00 15.76 C ANISOU 2303 CA LYS B 43 2939 885 2164 -303 -129 71 C ATOM 2304 C LYS B 43 10.316 5.180 26.352 1.00 13.78 C ANISOU 2304 C LYS B 43 2741 529 1964 -68 -292 -31 C ATOM 2305 O LYS B 43 10.833 6.279 26.521 1.00 13.69 O ANISOU 2305 O LYS B 43 2513 558 2131 -12 -157 -90 O ATOM 2306 CB LYS B 43 7.991 4.795 27.213 1.00 21.26 C ANISOU 2306 CB LYS B 43 2843 2795 2440 -338 -207 72 C ATOM 2307 CG LYS B 43 7.393 6.121 26.951 1.00 28.10 C ANISOU 2307 CG LYS B 43 2797 3714 4165 519 182 831 C ATOM 2308 CD LYS B 43 5.867 6.041 27.109 1.00 31.83 C ANISOU 2308 CD LYS B 43 2724 4643 4727 98 -297 -298 C ATOM 2309 CE LYS B 43 5.123 6.741 26.004 1.00 38.08 C ANISOU 2309 CE LYS B 43 2778 5616 6075 660 -252 786 C ATOM 2310 NZ LYS B 43 3.709 7.046 26.323 1.00 52.91 N ANISOU 2310 NZ LYS B 43 2612 9308 8183 1254 -931 -864 N ATOM 0 H LYS B 43 9.869 5.979 28.783 1.00 14.08 H new ATOM 0 HA LYS B 43 9.612 3.623 27.475 1.00 15.76 H new ATOM 0 HB2 LYS B 43 7.757 4.235 26.457 1.00 21.26 H new ATOM 0 HB3 LYS B 43 7.530 4.435 27.986 1.00 21.26 H new ATOM 0 HG2 LYS B 43 7.757 6.777 27.566 1.00 28.10 H new ATOM 0 HG3 LYS B 43 7.619 6.416 26.055 1.00 28.10 H new ATOM 0 HD2 LYS B 43 5.598 5.109 27.133 1.00 31.83 H new ATOM 0 HD3 LYS B 43 5.614 6.432 27.960 1.00 31.83 H new ATOM 0 HE2 LYS B 43 5.582 7.569 25.792 1.00 38.08 H new ATOM 0 HE3 LYS B 43 5.152 6.189 25.207 1.00 38.08 H new ATOM 0 HZ1 LYS B 43 3.330 7.457 25.631 1.00 52.91 H new ATOM 0 HZ2 LYS B 43 3.273 6.289 26.493 1.00 52.91 H new ATOM 0 HZ3 LYS B 43 3.673 7.575 27.038 1.00 52.91 H new ATOM 2324 N PRO B 44 10.464 4.497 25.253 1.00 13.96 N ANISOU 2324 N PRO B 44 2402 779 2122 -24 -274 -212 N ATOM 2325 CA PRO B 44 11.333 5.012 24.210 1.00 14.97 C ANISOU 2325 CA PRO B 44 2240 1162 2286 29 -117 -256 C ATOM 2326 C PRO B 44 10.626 6.101 23.430 1.00 14.49 C ANISOU 2326 C PRO B 44 2118 1585 1804 -87 41 -83 C ATOM 2327 O PRO B 44 9.414 6.132 23.252 1.00 14.86 O ANISOU 2327 O PRO B 44 2224 1204 2217 -110 -160 42 O ATOM 2328 CB PRO B 44 11.544 3.740 23.364 1.00 19.16 C ANISOU 2328 CB PRO B 44 3426 1646 2207 112 -78 -585 C ATOM 2329 CG PRO B 44 10.212 3.006 23.452 1.00 16.95 C ANISOU 2329 CG PRO B 44 3911 728 1801 -42 -507 50 C ATOM 2330 CD PRO B 44 9.881 3.168 24.915 1.00 16.86 C ANISOU 2330 CD PRO B 44 3847 642 1918 -237 -324 -92 C ATOM 0 HA PRO B 44 12.157 5.421 24.517 1.00 14.97 H new ATOM 0 HB2 PRO B 44 11.768 3.958 22.446 1.00 19.16 H new ATOM 0 HB3 PRO B 44 12.270 3.199 23.712 1.00 19.16 H new ATOM 0 HG2 PRO B 44 9.538 3.402 22.878 1.00 16.95 H new ATOM 0 HG3 PRO B 44 10.290 2.074 23.196 1.00 16.95 H new ATOM 0 HD2 PRO B 44 8.924 3.147 25.070 1.00 16.86 H new ATOM 0 HD3 PRO B 44 10.271 2.459 25.451 1.00 16.86 H new ATOM 2338 N LYS B 45 11.382 7.036 22.917 1.00 14.68 N ANISOU 2338 N LYS B 45 2114 1558 1907 -61 94 -49 N ATOM 2339 CA LYS B 45 10.847 8.049 22.016 1.00 13.66 C ANISOU 2339 CA LYS B 45 1800 1510 1881 -162 36 -158 C ATOM 2340 C LYS B 45 11.947 8.445 21.045 1.00 13.91 C ANISOU 2340 C LYS B 45 2072 1430 1782 -249 96 -229 C ATOM 2341 O LYS B 45 13.103 8.498 21.453 1.00 15.67 O ANISOU 2341 O LYS B 45 1925 2032 1999 -354 272 -191 O ATOM 2342 CB LYS B 45 10.345 9.289 22.756 1.00 16.85 C ANISOU 2342 CB LYS B 45 3239 1218 1943 -219 780 72 C ATOM 2343 CG LYS B 45 9.665 10.240 21.791 1.00 19.69 C ANISOU 2343 CG LYS B 45 3793 1159 2528 -70 918 468 C ATOM 2344 CD LYS B 45 8.700 11.233 22.267 1.00 21.36 C ANISOU 2344 CD LYS B 45 3397 1791 2929 115 479 147 C ATOM 2345 CE LYS B 45 7.986 11.914 21.107 1.00 23.29 C ANISOU 2345 CE LYS B 45 4265 1813 2771 425 1200 895 C ATOM 2346 NZ LYS B 45 7.047 12.913 21.664 1.00 35.02 N ANISOU 2346 NZ LYS B 45 4919 3748 4638 1973 1761 1317 N ATOM 0 H LYS B 45 12.224 7.111 23.075 1.00 14.68 H new ATOM 0 HA LYS B 45 10.083 7.672 21.552 1.00 13.66 H new ATOM 0 HB2 LYS B 45 9.724 9.027 23.453 1.00 16.85 H new ATOM 0 HB3 LYS B 45 11.088 9.736 23.191 1.00 16.85 H new ATOM 0 HG2 LYS B 45 10.366 10.724 21.327 1.00 19.69 H new ATOM 0 HG3 LYS B 45 9.210 9.696 21.129 1.00 19.69 H new ATOM 0 HD2 LYS B 45 8.048 10.803 22.843 1.00 21.36 H new ATOM 0 HD3 LYS B 45 9.157 11.899 22.804 1.00 21.36 H new ATOM 0 HE2 LYS B 45 8.628 12.344 20.520 1.00 23.29 H new ATOM 0 HE3 LYS B 45 7.507 11.260 20.574 1.00 23.29 H new ATOM 0 HZ1 LYS B 45 6.299 12.919 21.182 1.00 35.02 H new ATOM 0 HZ2 LYS B 45 6.854 12.702 22.507 1.00 35.02 H new ATOM 0 HZ3 LYS B 45 7.422 13.720 21.639 1.00 35.02 H new ATOM 2360 N MET B 46 11.529 8.689 19.815 1.00 16.53 N ANISOU 2360 N MET B 46 3059 1121 2101 -471 -202 426 N ATOM 2361 CA MET B 46 12.493 9.255 18.875 1.00 18.86 C ANISOU 2361 CA MET B 46 3746 1323 2098 -563 193 260 C ATOM 2362 C MET B 46 12.057 10.701 18.625 1.00 17.74 C ANISOU 2362 C MET B 46 2675 1520 2544 -420 874 604 C ATOM 2363 O MET B 46 10.869 10.958 18.463 1.00 18.94 O ANISOU 2363 O MET B 46 2636 2032 2528 -737 193 480 O ATOM 2364 CB MET B 46 12.593 8.473 17.575 1.00 24.84 C ANISOU 2364 CB MET B 46 5809 1491 2138 -1356 248 -25 C ATOM 2365 CG MET B 46 13.332 7.133 17.605 1.00 32.08 C ANISOU 2365 CG MET B 46 8350 845 2995 -1170 1336 5 C ATOM 2366 SD MET B 46 14.118 6.723 16.058 1.00 81.85 S ANISOU 2366 SD MET B 46 10922 13816 6362 6021 4113 -70 S ATOM 2367 CE MET B 46 13.287 7.709 14.814 1.00 68.86 C ANISOU 2367 CE MET B 46 20000 3404 2759 -1160 2278 -210 C ATOM 0 H MET B 46 10.737 8.546 19.511 1.00 16.53 H new ATOM 0 HA MET B 46 13.384 9.212 19.255 1.00 18.86 H new ATOM 0 HB2 MET B 46 11.692 8.310 17.255 1.00 24.84 H new ATOM 0 HB3 MET B 46 13.029 9.039 16.919 1.00 24.84 H new ATOM 0 HG2 MET B 46 14.003 7.157 18.305 1.00 32.08 H new ATOM 0 HG3 MET B 46 12.705 6.431 17.838 1.00 32.08 H new ATOM 0 HE1 MET B 46 13.449 7.327 13.937 1.00 68.86 H new ATOM 0 HE2 MET B 46 12.333 7.718 14.992 1.00 68.86 H new ATOM 0 HE3 MET B 46 13.628 8.617 14.839 1.00 68.86 H new ATOM 2377 N ILE B 47 13.071 11.550 18.633 1.00 14.42 N ANISOU 2377 N ILE B 47 2242 1203 2032 8 553 243 N ATOM 2378 CA ILE B 47 12.834 12.969 18.322 1.00 14.95 C ANISOU 2378 CA ILE B 47 2425 1164 2090 -70 599 240 C ATOM 2379 C ILE B 47 13.726 13.329 17.174 1.00 14.05 C ANISOU 2379 C ILE B 47 2097 1167 2074 -241 413 202 C ATOM 2380 O ILE B 47 14.788 12.758 16.966 1.00 19.44 O ANISOU 2380 O ILE B 47 3113 1673 2600 590 1186 492 O ATOM 2381 CB ILE B 47 13.060 13.858 19.542 1.00 15.51 C ANISOU 2381 CB ILE B 47 2269 1341 2283 -264 714 59 C ATOM 2382 CG1 ILE B 47 14.464 13.745 20.132 1.00 16.68 C ANISOU 2382 CG1 ILE B 47 2536 1515 2285 -308 418 457 C ATOM 2383 CG2 ILE B 47 11.980 13.622 20.576 1.00 17.32 C ANISOU 2383 CG2 ILE B 47 2719 1499 2362 166 1062 298 C ATOM 2384 CD1 ILE B 47 14.775 14.785 21.190 1.00 21.08 C ANISOU 2384 CD1 ILE B 47 3426 2362 2223 -317 -13 155 C ATOM 0 H ILE B 47 13.887 11.343 18.810 1.00 14.42 H new ATOM 0 HA ILE B 47 11.908 13.114 18.072 1.00 14.95 H new ATOM 0 HB ILE B 47 12.995 14.776 19.237 1.00 15.51 H new ATOM 0 HG12 ILE B 47 14.572 12.862 20.518 1.00 16.68 H new ATOM 0 HG13 ILE B 47 15.113 13.822 19.415 1.00 16.68 H new ATOM 0 HG21 ILE B 47 12.137 14.193 21.344 1.00 17.32 H new ATOM 0 HG22 ILE B 47 11.113 13.828 20.192 1.00 17.32 H new ATOM 0 HG23 ILE B 47 11.997 12.693 20.855 1.00 17.32 H new ATOM 0 HD11 ILE B 47 15.678 14.653 21.518 1.00 21.08 H new ATOM 0 HD12 ILE B 47 14.698 15.672 20.805 1.00 21.08 H new ATOM 0 HD13 ILE B 47 14.148 14.696 21.925 1.00 21.08 H new ATOM 2396 N GLY B 48 13.249 14.312 16.425 1.00 13.98 N ANISOU 2396 N GLY B 48 2246 1462 1603 -175 332 92 N ATOM 2397 CA GLY B 48 13.943 14.762 15.256 1.00 13.05 C ANISOU 2397 CA GLY B 48 2331 1095 1533 40 523 -129 C ATOM 2398 C GLY B 48 14.362 16.199 15.420 1.00 13.38 C ANISOU 2398 C GLY B 48 2398 1242 1444 -187 629 -277 C ATOM 2399 O GLY B 48 13.640 16.981 16.014 1.00 18.12 O ANISOU 2399 O GLY B 48 3215 1348 2323 -306 1306 -603 O ATOM 0 H GLY B 48 12.515 14.730 16.588 1.00 13.98 H new ATOM 0 HA2 GLY B 48 14.723 14.207 15.101 1.00 13.05 H new ATOM 0 HA3 GLY B 48 13.371 14.672 14.478 1.00 13.05 H new ATOM 2403 N GLY B 49 15.533 16.501 14.855 1.00 16.79 N ANISOU 2403 N GLY B 49 2385 1588 2408 -288 773 -221 N ATOM 2404 CA GLY B 49 15.894 17.914 14.830 1.00 21.08 C ANISOU 2404 CA GLY B 49 3267 2010 2732 -1059 935 -320 C ATOM 2405 C GLY B 49 16.700 18.196 13.557 1.00 16.89 C ANISOU 2405 C GLY B 49 2136 1628 2655 -355 661 -179 C ATOM 2406 O GLY B 49 16.617 17.508 12.556 1.00 18.23 O ANISOU 2406 O GLY B 49 2845 1764 2318 -638 381 63 O ATOM 0 H GLY B 49 16.093 15.949 14.506 1.00 16.79 H new ATOM 0 HA2 GLY B 49 15.096 18.465 14.851 1.00 21.08 H new ATOM 0 HA3 GLY B 49 16.416 18.141 15.615 1.00 21.08 H new ATOM 2410 N ILE B 50 17.433 19.306 13.728 1.00 17.17 N ANISOU 2410 N ILE B 50 2409 1495 2619 -394 456 22 N ATOM 2411 CA ILE B 50 18.162 19.844 12.603 1.00 17.87 C ANISOU 2411 CA ILE B 50 2010 2072 2707 -308 212 489 C ATOM 2412 C ILE B 50 19.120 18.816 12.049 1.00 17.57 C ANISOU 2412 C ILE B 50 2239 1968 2470 -418 468 548 C ATOM 2413 O ILE B 50 19.349 18.873 10.834 1.00 21.19 O ANISOU 2413 O ILE B 50 2686 2925 2440 -133 405 582 O ATOM 2414 CB ILE B 50 18.910 21.145 13.026 1.00 16.98 C ANISOU 2414 CB ILE B 50 1807 1897 2747 -245 -6 650 C ATOM 2415 CG1 ILE B 50 19.358 22.084 11.903 1.00 19.75 C ANISOU 2415 CG1 ILE B 50 1916 2628 2962 -480 162 865 C ATOM 2416 CG2 ILE B 50 20.125 20.847 13.905 1.00 22.95 C ANISOU 2416 CG2 ILE B 50 1865 3939 2917 -460 -210 970 C ATOM 2417 CD1 ILE B 50 18.147 22.605 11.174 1.00 22.96 C ANISOU 2417 CD1 ILE B 50 3015 3003 2708 272 -292 838 C ATOM 0 H ILE B 50 17.512 19.741 14.466 1.00 17.17 H new ATOM 0 HA ILE B 50 17.534 20.069 11.899 1.00 17.87 H new ATOM 0 HB ILE B 50 18.219 21.618 13.515 1.00 16.98 H new ATOM 0 HG12 ILE B 50 19.870 22.822 12.270 1.00 19.75 H new ATOM 0 HG13 ILE B 50 19.941 21.613 11.287 1.00 19.75 H new ATOM 0 HG21 ILE B 50 20.562 21.679 14.146 1.00 22.95 H new ATOM 0 HG22 ILE B 50 19.838 20.388 14.710 1.00 22.95 H new ATOM 0 HG23 ILE B 50 20.747 20.285 13.417 1.00 22.95 H new ATOM 0 HD11 ILE B 50 18.429 23.200 10.462 1.00 22.96 H new ATOM 0 HD12 ILE B 50 17.652 21.861 10.796 1.00 22.96 H new ATOM 0 HD13 ILE B 50 17.579 23.089 11.794 1.00 22.96 H new ATOM 2429 N GLY B 51 19.676 17.902 12.838 1.00 17.87 N ANISOU 2429 N GLY B 51 2010 2360 2420 -104 391 432 N ATOM 2430 CA GLY B 51 20.715 17.042 12.271 1.00 17.41 C ANISOU 2430 CA GLY B 51 2085 2325 2204 -225 489 373 C ATOM 2431 C GLY B 51 20.329 15.614 12.060 1.00 20.82 C ANISOU 2431 C GLY B 51 2765 2614 2533 -331 367 -337 C ATOM 2432 O GLY B 51 21.095 14.745 11.649 1.00 26.76 O ANISOU 2432 O GLY B 51 3611 2561 3997 -22 1049 -199 O ATOM 0 H GLY B 51 19.481 17.765 13.664 1.00 17.87 H new ATOM 0 HA2 GLY B 51 20.991 17.415 11.419 1.00 17.41 H new ATOM 0 HA3 GLY B 51 21.488 17.068 12.856 1.00 17.41 H new ATOM 2436 N GLY B 52 19.082 15.322 12.364 1.00 20.17 N ANISOU 2436 N GLY B 52 3111 2143 2411 -657 606 91 N ATOM 2437 CA GLY B 52 18.576 13.968 12.225 1.00 21.11 C ANISOU 2437 CA GLY B 52 3849 1978 2193 -496 1165 -417 C ATOM 2438 C GLY B 52 17.778 13.563 13.441 1.00 18.76 C ANISOU 2438 C GLY B 52 3001 1792 2333 -598 966 -451 C ATOM 2439 O GLY B 52 17.224 14.411 14.152 1.00 21.09 O ANISOU 2439 O GLY B 52 3423 1834 2755 -463 1486 -287 O ATOM 0 H GLY B 52 18.508 15.893 12.654 1.00 20.17 H new ATOM 0 HA2 GLY B 52 18.019 13.907 11.433 1.00 21.11 H new ATOM 0 HA3 GLY B 52 19.316 13.353 12.100 1.00 21.11 H new ATOM 2443 N PHE B 53 17.687 12.276 13.703 1.00 21.75 N ANISOU 2443 N PHE B 53 3706 1857 2702 -180 1201 -123 N ATOM 2444 CA PHE B 53 16.921 11.768 14.828 1.00 21.74 C ANISOU 2444 CA PHE B 53 3578 1734 2950 15 1299 88 C ATOM 2445 C PHE B 53 17.768 11.143 15.903 1.00 22.76 C ANISOU 2445 C PHE B 53 3230 2012 3406 602 1739 523 C ATOM 2446 O PHE B 53 18.843 10.582 15.708 1.00 30.44 O ANISOU 2446 O PHE B 53 4217 2709 4641 1587 2576 1111 O ATOM 2447 CB PHE B 53 15.968 10.689 14.307 1.00 28.03 C ANISOU 2447 CB PHE B 53 4872 2386 3391 -976 1387 -68 C ATOM 2448 CG PHE B 53 15.042 11.248 13.251 1.00 34.94 C ANISOU 2448 CG PHE B 53 5989 3518 3770 -1439 58 -313 C ATOM 2449 CD1 PHE B 53 15.430 11.153 11.920 1.00 45.13 C ANISOU 2449 CD1 PHE B 53 7717 5755 3674 -1235 139 -14 C ATOM 2450 CD2 PHE B 53 13.853 11.845 13.625 1.00 36.76 C ANISOU 2450 CD2 PHE B 53 6285 3497 4186 -561 -1154 -995 C ATOM 2451 CE1 PHE B 53 14.574 11.677 10.959 1.00 48.32 C ANISOU 2451 CE1 PHE B 53 8038 6607 3714 -1367 -646 -724 C ATOM 2452 CE2 PHE B 53 13.000 12.372 12.664 1.00 38.95 C ANISOU 2452 CE2 PHE B 53 7377 3792 3631 -767 -2058 -1937 C ATOM 2453 CZ PHE B 53 13.388 12.296 11.342 1.00 47.83 C ANISOU 2453 CZ PHE B 53 8002 6159 4014 -1256 -1068 -774 C ATOM 0 H PHE B 53 18.069 11.665 13.233 1.00 21.75 H new ATOM 0 HA PHE B 53 16.461 12.526 15.222 1.00 21.74 H new ATOM 0 HB2 PHE B 53 16.479 9.953 13.937 1.00 28.03 H new ATOM 0 HB3 PHE B 53 15.447 10.331 15.042 1.00 28.03 H new ATOM 0 HD1 PHE B 53 16.235 10.753 11.681 1.00 45.13 H new ATOM 0 HD2 PHE B 53 13.623 11.894 14.525 1.00 36.76 H new ATOM 0 HE1 PHE B 53 14.794 11.614 10.058 1.00 48.32 H new ATOM 0 HE2 PHE B 53 12.192 12.764 12.904 1.00 38.95 H new ATOM 0 HZ PHE B 53 12.841 12.669 10.689 1.00 47.83 H new ATOM 2463 N ILE B 54 17.230 11.184 17.125 1.00 19.21 N ANISOU 2463 N ILE B 54 2663 1579 3057 227 1203 243 N ATOM 2464 CA ILE B 54 17.871 10.528 18.232 1.00 20.63 C ANISOU 2464 CA ILE B 54 2478 1831 3527 555 1231 587 C ATOM 2465 C ILE B 54 16.849 9.826 19.104 1.00 18.77 C ANISOU 2465 C ILE B 54 2567 1257 3308 464 1151 326 C ATOM 2466 O ILE B 54 15.669 10.216 19.153 1.00 17.12 O ANISOU 2466 O ILE B 54 2341 1088 3077 150 893 97 O ATOM 2467 CB ILE B 54 18.675 11.516 19.106 1.00 21.21 C ANISOU 2467 CB ILE B 54 2159 2192 3708 280 779 995 C ATOM 2468 CG1 ILE B 54 17.830 12.529 19.877 1.00 18.60 C ANISOU 2468 CG1 ILE B 54 2175 1704 3187 276 -22 800 C ATOM 2469 CG2 ILE B 54 19.732 12.265 18.284 1.00 28.32 C ANISOU 2469 CG2 ILE B 54 1975 3663 5123 12 870 1862 C ATOM 2470 CD1 ILE B 54 18.622 13.297 20.905 1.00 24.22 C ANISOU 2470 CD1 ILE B 54 2567 2347 4287 205 -790 546 C ATOM 0 H ILE B 54 16.496 11.588 17.320 1.00 19.21 H new ATOM 0 HA ILE B 54 18.485 9.880 17.852 1.00 20.63 H new ATOM 0 HB ILE B 54 19.101 10.949 19.768 1.00 21.21 H new ATOM 0 HG12 ILE B 54 17.431 13.153 19.251 1.00 18.60 H new ATOM 0 HG13 ILE B 54 17.101 12.065 20.318 1.00 18.60 H new ATOM 0 HG21 ILE B 54 20.218 12.875 18.860 1.00 28.32 H new ATOM 0 HG22 ILE B 54 20.351 11.628 17.894 1.00 28.32 H new ATOM 0 HG23 ILE B 54 19.297 12.766 17.577 1.00 28.32 H new ATOM 0 HD11 ILE B 54 18.038 13.923 21.362 1.00 24.22 H new ATOM 0 HD12 ILE B 54 19.001 12.679 21.549 1.00 24.22 H new ATOM 0 HD13 ILE B 54 19.337 13.784 20.466 1.00 24.22 H new ATOM 2482 N LYS B 55 17.359 8.794 19.790 1.00 17.89 N ANISOU 2482 N LYS B 55 2375 1596 2826 257 715 212 N ATOM 2483 CA LYS B 55 16.587 8.068 20.778 1.00 20.00 C ANISOU 2483 CA LYS B 55 3347 1682 2569 379 1028 268 C ATOM 2484 C LYS B 55 16.773 8.724 22.126 1.00 18.46 C ANISOU 2484 C LYS B 55 2404 1681 2927 -145 981 94 C ATOM 2485 O LYS B 55 17.882 9.036 22.489 1.00 22.18 O ANISOU 2485 O LYS B 55 2159 2529 3740 164 891 -89 O ATOM 2486 CB LYS B 55 17.013 6.600 20.869 1.00 21.04 C ANISOU 2486 CB LYS B 55 3562 1628 2805 374 599 275 C ATOM 2487 CG LYS B 55 16.472 5.730 19.783 1.00 33.49 C ANISOU 2487 CG LYS B 55 6136 2535 4054 7 269 -854 C ATOM 2488 CD LYS B 55 17.017 4.314 19.767 1.00 44.34 C ANISOU 2488 CD LYS B 55 8655 2888 5303 1090 -496 -1687 C ATOM 2489 CE LYS B 55 16.439 3.552 18.571 1.00 57.72 C ANISOU 2489 CE LYS B 55 10876 4220 6836 679 -1121 -3124 C ATOM 2490 NZ LYS B 55 17.026 3.992 17.260 1.00 69.97 N ANISOU 2490 NZ LYS B 55 14233 7351 5000 2242 -2764 -989 N ATOM 0 H LYS B 55 18.162 8.504 19.688 1.00 17.89 H new ATOM 0 HA LYS B 55 15.655 8.091 20.509 1.00 20.00 H new ATOM 0 HB2 LYS B 55 17.982 6.554 20.852 1.00 21.04 H new ATOM 0 HB3 LYS B 55 16.727 6.245 21.725 1.00 21.04 H new ATOM 0 HG2 LYS B 55 15.507 5.690 19.869 1.00 33.49 H new ATOM 0 HG3 LYS B 55 16.663 6.146 18.928 1.00 33.49 H new ATOM 0 HD2 LYS B 55 17.985 4.331 19.713 1.00 44.34 H new ATOM 0 HD3 LYS B 55 16.787 3.860 20.593 1.00 44.34 H new ATOM 0 HE2 LYS B 55 16.599 2.603 18.690 1.00 57.72 H new ATOM 0 HE3 LYS B 55 15.477 3.677 18.548 1.00 57.72 H new ATOM 0 HZ1 LYS B 55 16.726 3.465 16.608 1.00 69.97 H new ATOM 0 HZ2 LYS B 55 16.787 4.833 17.095 1.00 69.97 H new ATOM 0 HZ3 LYS B 55 17.914 3.939 17.299 1.00 69.97 H new ATOM 2497 N VAL B 56 15.642 8.883 22.802 1.00 15.86 N ANISOU 2497 N VAL B 56 2224 928 2873 -96 784 -188 N ATOM 2498 CA VAL B 56 15.674 9.459 24.119 1.00 14.95 C ANISOU 2498 CA VAL B 56 1915 1063 2702 167 398 -22 C ATOM 2499 C VAL B 56 14.815 8.596 25.048 1.00 14.51 C ANISOU 2499 C VAL B 56 1971 979 2564 -95 470 -475 C ATOM 2500 O VAL B 56 14.063 7.753 24.623 1.00 16.04 O ANISOU 2500 O VAL B 56 2392 1239 2461 -317 236 -376 O ATOM 2501 CB VAL B 56 15.199 10.918 24.125 1.00 15.04 C ANISOU 2501 CB VAL B 56 2287 1035 2392 208 -68 -225 C ATOM 2502 CG1 VAL B 56 16.095 11.761 23.247 1.00 19.70 C ANISOU 2502 CG1 VAL B 56 3596 1370 2520 -174 -179 395 C ATOM 2503 CG2 VAL B 56 13.751 11.016 23.680 1.00 18.98 C ANISOU 2503 CG2 VAL B 56 2689 1444 3077 671 -773 -788 C ATOM 0 H VAL B 56 14.861 8.665 22.514 1.00 15.86 H new ATOM 0 HA VAL B 56 16.592 9.473 24.433 1.00 14.95 H new ATOM 0 HB VAL B 56 15.252 11.257 25.032 1.00 15.04 H new ATOM 0 HG11 VAL B 56 15.786 12.681 23.258 1.00 19.70 H new ATOM 0 HG12 VAL B 56 17.005 11.722 23.581 1.00 19.70 H new ATOM 0 HG13 VAL B 56 16.069 11.422 22.338 1.00 19.70 H new ATOM 0 HG21 VAL B 56 13.471 11.945 23.691 1.00 18.98 H new ATOM 0 HG22 VAL B 56 13.664 10.663 22.781 1.00 18.98 H new ATOM 0 HG23 VAL B 56 13.191 10.503 24.284 1.00 18.98 H new ATOM 2513 N ARG B 57 14.988 8.838 26.344 1.00 13.63 N ANISOU 2513 N ARG B 57 1760 889 2530 -66 164 -235 N ATOM 2514 CA ARG B 57 14.181 8.171 27.341 1.00 13.26 C ANISOU 2514 CA ARG B 57 1742 850 2445 -153 112 -279 C ATOM 2515 C ARG B 57 13.044 9.095 27.741 1.00 11.96 C ANISOU 2515 C ARG B 57 1718 740 2085 -127 2 -76 C ATOM 2516 O ARG B 57 13.317 10.246 28.129 1.00 13.65 O ANISOU 2516 O ARG B 57 1634 686 2867 -112 114 -139 O ATOM 2517 CB ARG B 57 14.980 7.795 28.568 1.00 15.16 C ANISOU 2517 CB ARG B 57 1851 1131 2777 135 12 56 C ATOM 2518 CG ARG B 57 16.222 6.982 28.234 1.00 16.26 C ANISOU 2518 CG ARG B 57 2128 889 3160 218 11 -229 C ATOM 2519 CD ARG B 57 16.850 6.313 29.423 1.00 18.96 C ANISOU 2519 CD ARG B 57 2159 989 4055 -12 -581 188 C ATOM 2520 NE ARG B 57 17.250 7.198 30.485 1.00 19.02 N ANISOU 2520 NE ARG B 57 2193 1381 3653 -3 -594 265 N ATOM 2521 CZ ARG B 57 18.381 7.911 30.467 1.00 19.63 C ANISOU 2521 CZ ARG B 57 2111 1438 3911 56 -1020 315 C ATOM 2522 NH1 ARG B 57 19.241 7.886 29.454 1.00 26.37 N ANISOU 2522 NH1 ARG B 57 2217 1894 5907 6 210 -236 N ATOM 2523 NH2 ARG B 57 18.614 8.662 31.515 1.00 25.66 N ANISOU 2523 NH2 ARG B 57 3397 1684 4670 40 -1639 -168 N ATOM 0 H ARG B 57 15.570 9.387 26.661 1.00 13.63 H new ATOM 0 HA ARG B 57 13.842 7.348 26.955 1.00 13.26 H new ATOM 0 HB2 ARG B 57 15.243 8.602 29.038 1.00 15.16 H new ATOM 0 HB3 ARG B 57 14.417 7.286 29.172 1.00 15.16 H new ATOM 0 HG2 ARG B 57 15.988 6.305 27.579 1.00 16.26 H new ATOM 0 HG3 ARG B 57 16.877 7.565 27.819 1.00 16.26 H new ATOM 0 HD2 ARG B 57 16.222 5.665 29.780 1.00 18.96 H new ATOM 0 HD3 ARG B 57 17.629 5.818 29.124 1.00 18.96 H new ATOM 0 HE ARG B 57 16.733 7.272 31.169 1.00 19.02 H new ATOM 0 HH11 ARG B 57 19.082 7.394 28.767 1.00 26.37 H new ATOM 0 HH12 ARG B 57 19.957 8.362 29.486 1.00 26.37 H new ATOM 0 HH21 ARG B 57 18.053 8.677 32.166 1.00 25.66 H new ATOM 0 HH22 ARG B 57 19.328 9.140 31.551 1.00 25.66 H new ATOM 2537 N GLN B 58 11.827 8.616 27.664 1.00 11.30 N ANISOU 2537 N GLN B 58 1688 656 1948 -24 -120 6 N ATOM 2538 CA GLN B 58 10.690 9.430 28.059 1.00 10.88 C ANISOU 2538 CA GLN B 58 1726 658 1750 -21 -101 56 C ATOM 2539 C GLN B 58 10.191 9.082 29.451 1.00 11.03 C ANISOU 2539 C GLN B 58 1686 748 1759 -171 -158 124 C ATOM 2540 O GLN B 58 9.808 7.947 29.675 1.00 12.24 O ANISOU 2540 O GLN B 58 1844 689 2119 -177 -93 88 O ATOM 2541 CB GLN B 58 9.565 9.221 27.034 1.00 11.67 C ANISOU 2541 CB GLN B 58 1597 1049 1787 -197 -99 183 C ATOM 2542 CG GLN B 58 8.285 9.941 27.495 1.00 11.75 C ANISOU 2542 CG GLN B 58 1659 913 1893 -154 -142 122 C ATOM 2543 CD GLN B 58 7.193 9.910 26.454 1.00 13.07 C ANISOU 2543 CD GLN B 58 1590 1598 1777 -308 -124 297 C ATOM 2544 OE1 GLN B 58 7.436 9.863 25.245 1.00 19.58 O ANISOU 2544 OE1 GLN B 58 2505 3206 1727 -140 -18 396 O ATOM 2545 NE2 GLN B 58 5.942 9.952 26.928 1.00 17.24 N ANISOU 2545 NE2 GLN B 58 1583 2592 2375 -438 -28 22 N ATOM 0 H GLN B 58 11.630 7.826 27.388 1.00 11.30 H new ATOM 0 HA GLN B 58 10.969 10.359 28.082 1.00 10.88 H new ATOM 0 HB2 GLN B 58 9.841 9.560 26.168 1.00 11.67 H new ATOM 0 HB3 GLN B 58 9.390 8.273 26.925 1.00 11.67 H new ATOM 0 HG2 GLN B 58 7.961 9.527 28.310 1.00 11.75 H new ATOM 0 HG3 GLN B 58 8.496 10.863 27.709 1.00 11.75 H new ATOM 0 HE21 GLN B 58 5.804 9.984 27.776 1.00 17.24 H new ATOM 0 HE22 GLN B 58 5.276 9.947 26.384 1.00 17.24 H new ATOM 2554 N TYR B 59 10.192 10.052 30.322 1.00 11.13 N ANISOU 2554 N TYR B 59 1923 728 1577 -231 -56 239 N ATOM 2555 CA TYR B 59 9.722 9.949 31.694 1.00 11.75 C ANISOU 2555 CA TYR B 59 1751 1213 1502 -275 -203 422 C ATOM 2556 C TYR B 59 8.477 10.825 31.785 1.00 11.41 C ANISOU 2556 C TYR B 59 1693 1324 1320 -208 -220 319 C ATOM 2557 O TYR B 59 8.536 11.994 31.356 1.00 12.88 O ANISOU 2557 O TYR B 59 1731 1272 1891 -181 19 423 O ATOM 2558 CB TYR B 59 10.738 10.397 32.733 1.00 13.43 C ANISOU 2558 CB TYR B 59 1788 1762 1553 -295 -396 682 C ATOM 2559 CG TYR B 59 11.986 9.562 32.764 1.00 14.06 C ANISOU 2559 CG TYR B 59 1898 1493 1952 -319 -482 628 C ATOM 2560 CD1 TYR B 59 13.031 9.791 31.895 1.00 13.97 C ANISOU 2560 CD1 TYR B 59 1632 1679 1996 -331 -587 460 C ATOM 2561 CD2 TYR B 59 12.130 8.518 33.673 1.00 14.25 C ANISOU 2561 CD2 TYR B 59 2517 1095 1802 -174 -463 309 C ATOM 2562 CE1 TYR B 59 14.187 9.043 31.911 1.00 14.63 C ANISOU 2562 CE1 TYR B 59 1969 1621 1968 -99 -636 66 C ATOM 2563 CE2 TYR B 59 13.275 7.772 33.698 1.00 14.88 C ANISOU 2563 CE2 TYR B 59 2413 978 2263 -315 -860 195 C ATOM 2564 CZ TYR B 59 14.294 8.033 32.817 1.00 17.10 C ANISOU 2564 CZ TYR B 59 2103 1390 3003 -205 -707 402 C ATOM 2565 OH TYR B 59 15.450 7.291 32.807 1.00 20.28 O ANISOU 2565 OH TYR B 59 2338 1351 4016 -47 -685 358 O ATOM 0 H TYR B 59 10.481 10.839 30.129 1.00 11.13 H new ATOM 0 HA TYR B 59 9.548 9.016 31.893 1.00 11.75 H new ATOM 0 HB2 TYR B 59 10.981 11.320 32.558 1.00 13.43 H new ATOM 0 HB3 TYR B 59 10.323 10.375 33.609 1.00 13.43 H new ATOM 0 HD1 TYR B 59 12.952 10.478 31.273 1.00 13.97 H new ATOM 0 HD2 TYR B 59 11.442 8.326 34.268 1.00 14.25 H new ATOM 0 HE1 TYR B 59 14.879 9.224 31.316 1.00 14.63 H new ATOM 0 HE2 TYR B 59 13.364 7.083 34.316 1.00 14.88 H new ATOM 0 HH TYR B 59 15.303 6.538 33.149 1.00 20.28 H new ATOM 2575 N ASP B 60 7.415 10.281 32.306 1.00 13.43 N ANISOU 2575 N ASP B 60 2032 1074 1996 -199 309 218 N ATOM 2576 CA ASP B 60 6.191 11.083 32.435 1.00 13.68 C ANISOU 2576 CA ASP B 60 1863 1133 2200 -274 160 -42 C ATOM 2577 C ASP B 60 5.997 11.554 33.873 1.00 12.08 C ANISOU 2577 C ASP B 60 1327 1174 2090 -273 155 187 C ATOM 2578 O ASP B 60 6.541 11.007 34.829 1.00 15.09 O ANISOU 2578 O ASP B 60 2236 1259 2237 -65 156 484 O ATOM 2579 CB ASP B 60 4.986 10.281 31.973 1.00 15.77 C ANISOU 2579 CB ASP B 60 2120 1684 2190 -536 44 -44 C ATOM 2580 CG ASP B 60 5.050 9.933 30.512 1.00 16.27 C ANISOU 2580 CG ASP B 60 2234 1729 2220 -578 129 -186 C ATOM 2581 OD1 ASP B 60 5.537 10.751 29.727 1.00 16.71 O ANISOU 2581 OD1 ASP B 60 2103 2112 2133 -461 -238 179 O ATOM 2582 OD2 ASP B 60 4.593 8.834 30.163 1.00 25.46 O ANISOU 2582 OD2 ASP B 60 5105 1853 2717 -1178 -31 -333 O ATOM 0 H ASP B 60 7.361 9.471 32.591 1.00 13.43 H new ATOM 0 HA ASP B 60 6.280 11.867 31.871 1.00 13.68 H new ATOM 0 HB2 ASP B 60 4.925 9.465 32.494 1.00 15.77 H new ATOM 0 HB3 ASP B 60 4.178 10.789 32.146 1.00 15.77 H new ATOM 2587 N GLN B 61 5.195 12.618 34.022 1.00 13.61 N ANISOU 2587 N GLN B 61 1768 1302 2103 -35 72 15 N ATOM 2588 CA GLN B 61 4.766 13.183 35.268 1.00 13.17 C ANISOU 2588 CA GLN B 61 1749 1316 1938 -214 15 -10 C ATOM 2589 C GLN B 61 5.932 13.489 36.172 1.00 12.11 C ANISOU 2589 C GLN B 61 1553 1380 1669 66 44 505 C ATOM 2590 O GLN B 61 5.917 13.207 37.359 1.00 13.97 O ANISOU 2590 O GLN B 61 1847 1750 1710 -75 105 595 O ATOM 2591 CB GLN B 61 3.837 12.217 36.022 1.00 16.19 C ANISOU 2591 CB GLN B 61 2249 1804 2098 -627 -4 189 C ATOM 2592 CG GLN B 61 2.422 12.401 35.624 1.00 23.85 C ANISOU 2592 CG GLN B 61 1936 2580 4545 -348 379 1316 C ATOM 2593 CD GLN B 61 1.415 11.473 36.256 1.00 19.01 C ANISOU 2593 CD GLN B 61 2240 2072 2912 -480 381 519 C ATOM 2594 OE1 GLN B 61 1.114 11.536 37.457 1.00 21.75 O ANISOU 2594 OE1 GLN B 61 2992 2622 2651 -186 71 413 O ATOM 2595 NE2 GLN B 61 0.885 10.621 35.423 1.00 25.60 N ANISOU 2595 NE2 GLN B 61 3899 2795 3034 -1156 1127 -284 N ATOM 0 H GLN B 61 4.877 13.042 33.345 1.00 13.61 H new ATOM 0 HA GLN B 61 4.297 14.003 35.047 1.00 13.17 H new ATOM 0 HB2 GLN B 61 4.107 11.302 35.845 1.00 16.19 H new ATOM 0 HB3 GLN B 61 3.927 12.360 36.977 1.00 16.19 H new ATOM 0 HG2 GLN B 61 2.165 13.313 35.831 1.00 23.85 H new ATOM 0 HG3 GLN B 61 2.363 12.302 34.661 1.00 23.85 H new ATOM 0 HE21 GLN B 61 1.128 10.618 34.598 1.00 25.60 H new ATOM 0 HE22 GLN B 61 0.292 10.062 35.699 1.00 25.60 H new ATOM 2604 N ILE B 62 6.951 14.114 35.573 1.00 11.90 N ANISOU 2604 N ILE B 62 1665 1538 1320 -204 -94 290 N ATOM 2605 CA ILE B 62 8.130 14.579 36.291 1.00 11.29 C ANISOU 2605 CA ILE B 62 1592 1383 1317 88 -201 229 C ATOM 2606 C ILE B 62 7.901 15.990 36.792 1.00 11.55 C ANISOU 2606 C ILE B 62 1819 1336 1232 54 -48 226 C ATOM 2607 O ILE B 62 7.467 16.855 36.038 1.00 11.40 O ANISOU 2607 O ILE B 62 1479 1388 1463 -5 -191 233 O ATOM 2608 CB ILE B 62 9.335 14.531 35.353 1.00 11.62 C ANISOU 2608 CB ILE B 62 1550 1387 1478 23 -167 108 C ATOM 2609 CG1 ILE B 62 9.615 13.080 34.935 1.00 12.58 C ANISOU 2609 CG1 ILE B 62 2102 1399 1278 144 -127 147 C ATOM 2610 CG2 ILE B 62 10.528 15.228 35.989 1.00 14.86 C ANISOU 2610 CG2 ILE B 62 1953 1679 2012 -646 -279 497 C ATOM 2611 CD1 ILE B 62 10.013 12.166 36.070 1.00 18.11 C ANISOU 2611 CD1 ILE B 62 3322 2006 1551 964 67 490 C ATOM 0 H ILE B 62 6.972 14.279 34.729 1.00 11.90 H new ATOM 0 HA ILE B 62 8.299 14.007 37.056 1.00 11.29 H new ATOM 0 HB ILE B 62 9.144 15.020 34.537 1.00 11.62 H new ATOM 0 HG12 ILE B 62 8.822 12.720 34.508 1.00 12.58 H new ATOM 0 HG13 ILE B 62 10.321 13.078 34.270 1.00 12.58 H new ATOM 0 HG21 ILE B 62 11.285 15.190 35.384 1.00 14.86 H new ATOM 0 HG22 ILE B 62 10.304 16.154 36.169 1.00 14.86 H new ATOM 0 HG23 ILE B 62 10.757 14.784 36.821 1.00 14.86 H new ATOM 0 HD11 ILE B 62 10.172 11.273 35.726 1.00 18.11 H new ATOM 0 HD12 ILE B 62 10.823 12.500 36.486 1.00 18.11 H new ATOM 0 HD13 ILE B 62 9.300 12.137 36.727 1.00 18.11 H new ATOM 2623 N ILE B 63 8.167 16.215 38.052 1.00 12.13 N ANISOU 2623 N ILE B 63 1815 1351 1444 -321 -327 203 N ATOM 2624 CA ILE B 63 8.041 17.539 38.669 1.00 11.35 C ANISOU 2624 CA ILE B 63 1594 1491 1228 -67 -145 170 C ATOM 2625 C ILE B 63 9.266 18.340 38.301 1.00 12.21 C ANISOU 2625 C ILE B 63 1752 1426 1462 -332 -499 173 C ATOM 2626 O ILE B 63 10.411 17.943 38.497 1.00 13.41 O ANISOU 2626 O ILE B 63 1680 1718 1697 -287 -342 504 O ATOM 2627 CB ILE B 63 7.878 17.437 40.198 1.00 15.88 C ANISOU 2627 CB ILE B 63 2829 2032 1172 -437 -315 243 C ATOM 2628 CG1 ILE B 63 6.660 16.617 40.639 1.00 18.40 C ANISOU 2628 CG1 ILE B 63 3180 2349 1464 -431 190 689 C ATOM 2629 CG2 ILE B 63 7.852 18.827 40.818 1.00 20.80 C ANISOU 2629 CG2 ILE B 63 3324 2728 1852 -611 -8 -735 C ATOM 2630 CD1 ILE B 63 6.636 16.216 42.084 1.00 22.61 C ANISOU 2630 CD1 ILE B 63 2595 4492 1504 -786 -419 1102 C ATOM 0 H ILE B 63 8.431 15.603 38.595 1.00 12.13 H new ATOM 0 HA ILE B 63 7.243 17.981 38.339 1.00 11.35 H new ATOM 0 HB ILE B 63 8.651 16.950 40.524 1.00 15.88 H new ATOM 0 HG12 ILE B 63 5.859 17.130 40.449 1.00 18.40 H new ATOM 0 HG13 ILE B 63 6.617 15.814 40.097 1.00 18.40 H new ATOM 0 HG21 ILE B 63 7.749 18.751 41.780 1.00 20.80 H new ATOM 0 HG22 ILE B 63 8.682 19.287 40.617 1.00 20.80 H new ATOM 0 HG23 ILE B 63 7.108 19.331 40.453 1.00 20.80 H new ATOM 0 HD11 ILE B 63 5.832 15.704 42.265 1.00 22.61 H new ATOM 0 HD12 ILE B 63 7.415 15.674 42.283 1.00 22.61 H new ATOM 0 HD13 ILE B 63 6.645 17.010 42.641 1.00 22.61 H new ATOM 2642 N ILE B 64 9.005 19.497 37.738 1.00 11.74 N ANISOU 2642 N ILE B 64 1604 1420 1438 -139 -137 128 N ATOM 2643 CA ILE B 64 10.070 20.350 37.248 1.00 12.13 C ANISOU 2643 CA ILE B 64 1717 1456 1436 -282 -147 113 C ATOM 2644 C ILE B 64 9.621 21.775 37.413 1.00 13.05 C ANISOU 2644 C ILE B 64 1204 1518 2237 -320 259 34 C ATOM 2645 O ILE B 64 8.524 22.174 37.113 1.00 18.96 O ANISOU 2645 O ILE B 64 1475 1829 3899 -192 -416 -324 O ATOM 2646 CB ILE B 64 10.381 20.017 35.775 1.00 12.40 C ANISOU 2646 CB ILE B 64 1948 1441 1324 -106 -255 313 C ATOM 2647 CG1 ILE B 64 11.435 20.927 35.158 1.00 13.11 C ANISOU 2647 CG1 ILE B 64 1676 1600 1707 99 225 26 C ATOM 2648 CG2 ILE B 64 9.137 19.960 34.902 1.00 15.98 C ANISOU 2648 CG2 ILE B 64 1824 2978 1269 -313 -159 502 C ATOM 2649 CD1 ILE B 64 11.936 20.599 33.766 1.00 14.58 C ANISOU 2649 CD1 ILE B 64 2020 2199 1319 521 -27 191 C ATOM 0 H ILE B 64 8.213 19.813 37.627 1.00 11.74 H new ATOM 0 HA ILE B 64 10.889 20.208 37.748 1.00 12.13 H new ATOM 0 HB ILE B 64 10.758 19.124 35.802 1.00 12.40 H new ATOM 0 HG12 ILE B 64 11.075 21.827 35.139 1.00 13.11 H new ATOM 0 HG13 ILE B 64 12.201 20.940 35.753 1.00 13.11 H new ATOM 0 HG21 ILE B 64 9.391 19.748 33.990 1.00 15.98 H new ATOM 0 HG22 ILE B 64 8.537 19.276 35.238 1.00 15.98 H new ATOM 0 HG23 ILE B 64 8.689 20.820 34.921 1.00 15.98 H new ATOM 0 HD11 ILE B 64 12.599 21.254 33.498 1.00 14.58 H new ATOM 0 HD12 ILE B 64 12.337 19.716 33.766 1.00 14.58 H new ATOM 0 HD13 ILE B 64 11.193 20.617 33.142 1.00 14.58 H new ATOM 2661 N GLU B 65 10.520 22.594 37.932 1.00 10.86 N ANISOU 2661 N GLU B 65 1579 1382 1165 9 -150 118 N ATOM 2662 CA GLU B 65 10.260 24.009 38.022 1.00 10.97 C ANISOU 2662 CA GLU B 65 1475 1400 1292 53 -292 37 C ATOM 2663 C GLU B 65 11.005 24.718 36.898 1.00 10.62 C ANISOU 2663 C GLU B 65 1580 1013 1443 310 80 -85 C ATOM 2664 O GLU B 65 12.158 24.368 36.636 1.00 11.51 O ANISOU 2664 O GLU B 65 1463 1327 1585 302 -122 -139 O ATOM 2665 CB GLU B 65 10.746 24.584 39.336 1.00 12.82 C ANISOU 2665 CB GLU B 65 1769 1787 1315 374 -452 -223 C ATOM 2666 CG GLU B 65 9.783 24.626 40.447 1.00 23.69 C ANISOU 2666 CG GLU B 65 2162 4913 1925 -404 12 -1371 C ATOM 2667 CD GLU B 65 10.467 25.031 41.745 1.00 22.79 C ANISOU 2667 CD GLU B 65 2031 4910 1718 -37 179 -1457 C ATOM 2668 OE1 GLU B 65 9.883 24.501 42.717 1.00 30.85 O ANISOU 2668 OE1 GLU B 65 2459 7329 1934 -895 623 -1450 O ATOM 2669 OE2 GLU B 65 11.468 25.783 41.692 1.00 23.05 O ANISOU 2669 OE2 GLU B 65 2450 4681 1626 -288 -392 -1009 O ATOM 0 H GLU B 65 11.285 22.347 38.237 1.00 10.86 H new ATOM 0 HA GLU B 65 9.301 24.141 37.957 1.00 10.97 H new ATOM 0 HB2 GLU B 65 11.515 24.068 39.624 1.00 12.82 H new ATOM 0 HB3 GLU B 65 11.056 25.488 39.172 1.00 12.82 H new ATOM 0 HG2 GLU B 65 9.074 25.255 40.241 1.00 23.69 H new ATOM 0 HG3 GLU B 65 9.369 23.756 40.554 1.00 23.69 H new ATOM 2676 N ILE B 66 10.361 25.660 36.272 1.00 10.66 N ANISOU 2676 N ILE B 66 1314 1189 1546 233 195 24 N ATOM 2677 CA ILE B 66 10.897 26.388 35.142 1.00 11.15 C ANISOU 2677 CA ILE B 66 1542 1340 1357 13 -44 8 C ATOM 2678 C ILE B 66 10.815 27.867 35.434 1.00 10.89 C ANISOU 2678 C ILE B 66 1534 1246 1357 131 -208 174 C ATOM 2679 O ILE B 66 9.713 28.373 35.543 1.00 11.38 O ANISOU 2679 O ILE B 66 1569 1587 1167 170 -67 -85 O ATOM 2680 CB AILE B 66 10.126 26.055 33.853 0.50 10.85 C ATOM 2681 CB BILE B 66 10.126 26.055 33.853 0.50 10.85 C ATOM 2682 CG1AILE B 66 10.414 24.586 33.473 0.50 7.87 C ATOM 2683 CG1BILE B 66 9.792 24.577 33.615 0.50 12.23 C ATOM 2684 CG2AILE B 66 10.466 27.004 32.758 0.50 12.59 C ATOM 2685 CG2BILE B 66 10.901 26.716 32.728 0.50 9.28 C ATOM 2686 CD1AILE B 66 9.160 23.998 32.870 0.50 10.83 C ATOM 2687 CD1BILE B 66 10.990 23.740 33.232 0.50 20.51 C ATOM 0 H ILE B 66 9.569 25.910 36.494 1.00 10.66 H new ATOM 0 HA ILE B 66 11.822 26.128 35.006 1.00 11.15 H new ATOM 0 HB AILE B 66 9.173 26.156 34.003 0.50 10.85 H new ATOM 0 HB BILE B 66 9.225 26.408 33.919 0.50 10.85 H new ATOM 0 HG12AILE B 66 11.148 24.538 32.840 0.50 12.23 H new ATOM 0 HG12BILE B 66 9.394 24.210 34.420 0.50 12.23 H new ATOM 0 HG13AILE B 66 10.681 24.080 34.256 0.50 12.23 H new ATOM 0 HG13BILE B 66 9.125 24.513 32.914 0.50 12.23 H new ATOM 0 HG21AILE B 66 9.966 26.770 31.960 0.50 9.28 H new ATOM 0 HG21BILE B 66 10.459 26.539 31.883 0.50 9.28 H new ATOM 0 HG22AILE B 66 10.237 27.907 33.029 0.50 9.28 H new ATOM 0 HG22BILE B 66 10.938 27.673 32.879 0.50 9.28 H new ATOM 0 HG23AILE B 66 11.416 26.954 32.570 0.50 9.28 H new ATOM 0 HG23BILE B 66 11.802 26.358 32.702 0.50 9.28 H new ATOM 0 HD11AILE B 66 9.322 23.074 32.624 0.50 20.51 H new ATOM 0 HD11BILE B 66 10.713 22.820 33.096 0.50 20.51 H new ATOM 0 HD12AILE B 66 8.439 24.039 33.518 0.50 20.51 H new ATOM 0 HD12BILE B 66 11.377 24.085 32.412 0.50 20.51 H new ATOM 0 HD13AILE B 66 8.913 24.504 32.080 0.50 20.51 H new ATOM 0 HD13BILE B 66 11.651 23.777 33.941 0.50 20.51 H new ATOM 2708 N ALA B 67 11.936 28.518 35.646 1.00 12.78 N ANISOU 2708 N ALA B 67 1559 1336 1959 129 -6 -249 N ATOM 2709 CA ALA B 67 11.981 29.945 35.997 1.00 12.76 C ANISOU 2709 CA ALA B 67 1937 1403 1509 34 -141 -295 C ATOM 2710 C ALA B 67 11.047 30.243 37.135 1.00 13.27 C ANISOU 2710 C ALA B 67 2188 1253 1602 14 -68 -313 C ATOM 2711 O ALA B 67 10.327 31.232 37.152 1.00 15.38 O ANISOU 2711 O ALA B 67 2717 1422 1705 372 147 -322 O ATOM 2712 CB ALA B 67 11.673 30.795 34.748 1.00 16.11 C ANISOU 2712 CB ALA B 67 2392 1704 2023 514 320 242 C ATOM 0 H ALA B 67 12.712 28.150 35.593 1.00 12.78 H new ATOM 0 HA ALA B 67 12.872 30.176 36.302 1.00 12.76 H new ATOM 0 HB1 ALA B 67 11.703 31.736 34.981 1.00 16.11 H new ATOM 0 HB2 ALA B 67 12.332 30.611 34.061 1.00 16.11 H new ATOM 0 HB3 ALA B 67 10.789 30.573 34.415 1.00 16.11 H new ATOM 2718 N GLY B 68 10.984 29.366 38.111 1.00 13.44 N ANISOU 2718 N GLY B 68 2154 1565 1386 235 -137 -295 N ATOM 2719 CA GLY B 68 10.193 29.539 39.312 1.00 15.41 C ANISOU 2719 CA GLY B 68 2164 2373 1319 174 -191 -376 C ATOM 2720 C GLY B 68 8.743 29.093 39.243 1.00 14.75 C ANISOU 2720 C GLY B 68 2010 2778 816 402 -221 -248 C ATOM 2721 O GLY B 68 8.010 29.260 40.212 1.00 19.32 O ANISOU 2721 O GLY B 68 2487 3738 1118 749 329 -311 O ATOM 0 H GLY B 68 11.417 28.623 38.095 1.00 13.44 H new ATOM 0 HA2 GLY B 68 10.625 29.054 40.032 1.00 15.41 H new ATOM 0 HA3 GLY B 68 10.210 30.478 39.553 1.00 15.41 H new ATOM 2725 N HIS B 69 8.377 28.568 38.071 1.00 12.80 N ANISOU 2725 N HIS B 69 2018 1748 1096 102 30 -267 N ATOM 2726 CA HIS B 69 7.011 28.100 37.817 1.00 12.93 C ANISOU 2726 CA HIS B 69 1905 1663 1343 206 45 -484 C ATOM 2727 C HIS B 69 6.987 26.591 37.880 1.00 12.88 C ANISOU 2727 C HIS B 69 1647 1755 1491 186 59 -137 C ATOM 2728 O HIS B 69 7.763 25.923 37.230 1.00 12.65 O ANISOU 2728 O HIS B 69 1741 1531 1534 304 86 -9 O ATOM 2729 CB HIS B 69 6.522 28.549 36.438 1.00 13.93 C ANISOU 2729 CB HIS B 69 1910 1705 1677 83 -166 -150 C ATOM 2730 CG HIS B 69 6.293 30.039 36.412 1.00 16.41 C ANISOU 2730 CG HIS B 69 2715 1800 1720 421 -181 -380 C ATOM 2731 ND1 HIS B 69 5.059 30.595 36.298 1.00 19.49 N ANISOU 2731 ND1 HIS B 69 2830 1866 2707 580 227 -211 N ATOM 2732 CD2 HIS B 69 7.146 31.061 36.496 1.00 16.84 C ANISOU 2732 CD2 HIS B 69 3015 1484 1899 460 -341 236 C ATOM 2733 CE1 HIS B 69 5.157 31.927 36.316 1.00 21.60 C ANISOU 2733 CE1 HIS B 69 2970 1879 3356 449 -878 41 C ATOM 2734 NE2 HIS B 69 6.424 32.248 36.437 1.00 18.91 N ANISOU 2734 NE2 HIS B 69 2824 1784 2577 658 -546 -83 N ATOM 0 H HIS B 69 8.911 28.473 37.404 1.00 12.80 H new ATOM 0 HA HIS B 69 6.425 28.479 38.491 1.00 12.93 H new ATOM 0 HB2 HIS B 69 7.175 28.306 35.763 1.00 13.93 H new ATOM 0 HB3 HIS B 69 5.699 28.087 36.215 1.00 13.93 H new ATOM 0 HD1 HIS B 69 4.324 30.155 36.225 1.00 19.49 H new ATOM 0 HD2 HIS B 69 8.070 30.991 36.580 1.00 16.84 H new ATOM 0 HE1 HIS B 69 4.448 32.525 36.253 1.00 21.60 H new ATOM 2742 N LYS B 70 6.055 26.054 38.646 1.00 15.99 N ANISOU 2742 N LYS B 70 2051 2182 1844 -196 417 -364 N ATOM 2743 CA LYS B 70 5.986 24.609 38.767 1.00 16.29 C ANISOU 2743 CA LYS B 70 2427 2203 1557 -432 578 -341 C ATOM 2744 C LYS B 70 5.225 23.977 37.615 1.00 14.57 C ANISOU 2744 C LYS B 70 1853 1881 1801 193 228 -327 C ATOM 2745 O LYS B 70 4.157 24.385 37.211 1.00 20.97 O ANISOU 2745 O LYS B 70 1894 2220 3853 571 -147 -989 O ATOM 2746 CB LYS B 70 5.307 24.210 40.066 1.00 24.03 C ANISOU 2746 CB LYS B 70 4307 3052 1770 -1056 1400 -511 C ATOM 2747 CG LYS B 70 5.957 24.691 41.334 1.00 34.37 C ANISOU 2747 CG LYS B 70 6168 5235 1658 -1598 957 -574 C ATOM 2748 CD LYS B 70 5.407 24.036 42.597 1.00 43.77 C ANISOU 2748 CD LYS B 70 7505 7231 1894 -2272 857 210 C ATOM 2749 CE LYS B 70 6.505 23.630 43.568 1.00 53.87 C ANISOU 2749 CE LYS B 70 8398 9154 2916 -2515 183 1621 C ATOM 2750 NZ LYS B 70 6.277 22.441 44.425 1.00 79.09 N ANISOU 2750 NZ LYS B 70 11219 13679 5154 -2535 646 5323 N ATOM 0 H LYS B 70 5.467 26.493 39.094 1.00 15.99 H new ATOM 0 HA LYS B 70 6.901 24.287 38.754 1.00 16.29 H new ATOM 0 HB2 LYS B 70 4.395 24.541 40.047 1.00 24.03 H new ATOM 0 HB3 LYS B 70 5.257 23.242 40.098 1.00 24.03 H new ATOM 0 HG2 LYS B 70 6.911 24.523 41.282 1.00 34.37 H new ATOM 0 HG3 LYS B 70 5.842 25.652 41.402 1.00 34.37 H new ATOM 0 HD2 LYS B 70 4.800 24.651 43.038 1.00 43.77 H new ATOM 0 HD3 LYS B 70 4.890 23.253 42.353 1.00 43.77 H new ATOM 0 HE2 LYS B 70 7.313 23.474 43.054 1.00 53.87 H new ATOM 0 HE3 LYS B 70 6.680 24.386 44.150 1.00 53.87 H new ATOM 0 HZ1 LYS B 70 6.987 22.309 44.945 1.00 79.09 H new ATOM 0 HZ2 LYS B 70 5.559 22.574 44.933 1.00 79.09 H new ATOM 0 HZ3 LYS B 70 6.148 21.725 43.912 1.00 79.09 H new ATOM 2764 N ALA B 71 5.826 22.896 37.103 1.00 12.22 N ANISOU 2764 N ALA B 71 1603 1450 1591 66 -60 27 N ATOM 2765 CA ALA B 71 5.212 22.102 36.052 1.00 11.09 C ANISOU 2765 CA ALA B 71 1377 1281 1557 -144 254 89 C ATOM 2766 C ALA B 71 5.389 20.635 36.452 1.00 10.91 C ANISOU 2766 C ALA B 71 1397 1397 1353 -115 -16 148 C ATOM 2767 O ALA B 71 6.237 20.279 37.261 1.00 12.65 O ANISOU 2767 O ALA B 71 1686 1547 1573 -133 -323 74 O ATOM 2768 CB ALA B 71 5.799 22.398 34.710 1.00 12.35 C ANISOU 2768 CB ALA B 71 1662 1590 1440 -2 153 255 C ATOM 0 H ALA B 71 6.596 22.610 37.358 1.00 12.22 H new ATOM 0 HA ALA B 71 4.270 22.318 35.965 1.00 11.09 H new ATOM 0 HB1 ALA B 71 5.364 21.850 34.038 1.00 12.35 H new ATOM 0 HB2 ALA B 71 5.666 23.335 34.498 1.00 12.35 H new ATOM 0 HB3 ALA B 71 6.749 22.201 34.722 1.00 12.35 H new ATOM 2774 N ILE B 72 4.542 19.799 35.885 1.00 10.24 N ANISOU 2774 N ILE B 72 1243 1263 1385 -111 46 184 N ATOM 2775 CA ILE B 72 4.641 18.355 36.092 1.00 9.76 C ANISOU 2775 CA ILE B 72 1194 1294 1220 42 40 222 C ATOM 2776 C ILE B 72 4.313 17.718 34.757 1.00 9.91 C ANISOU 2776 C ILE B 72 1078 1396 1290 -129 68 115 C ATOM 2777 O ILE B 72 3.182 17.806 34.278 1.00 11.57 O ANISOU 2777 O ILE B 72 1171 1780 1443 91 -58 101 O ATOM 2778 CB ILE B 72 3.715 17.806 37.163 1.00 11.52 C ANISOU 2778 CB ILE B 72 1787 1220 1371 3 386 181 C ATOM 2779 CG1 ILE B 72 3.798 18.547 38.485 1.00 11.94 C ANISOU 2779 CG1 ILE B 72 1352 1656 1528 47 443 -98 C ATOM 2780 CG2 ILE B 72 4.011 16.329 37.358 1.00 12.99 C ANISOU 2780 CG2 ILE B 72 1873 1161 1901 -264 222 238 C ATOM 2781 CD1 ILE B 72 2.844 18.066 39.530 1.00 15.85 C ANISOU 2781 CD1 ILE B 72 2523 2152 1348 -118 674 237 C ATOM 0 H ILE B 72 3.896 20.042 35.372 1.00 10.24 H new ATOM 0 HA ILE B 72 5.534 18.150 36.409 1.00 9.76 H new ATOM 0 HB ILE B 72 2.806 17.936 36.852 1.00 11.52 H new ATOM 0 HG12 ILE B 72 4.702 18.470 38.829 1.00 11.94 H new ATOM 0 HG13 ILE B 72 3.635 19.490 38.325 1.00 11.94 H new ATOM 0 HG21 ILE B 72 3.424 15.969 38.041 1.00 12.99 H new ATOM 0 HG22 ILE B 72 3.864 15.856 36.524 1.00 12.99 H new ATOM 0 HG23 ILE B 72 4.934 16.217 37.634 1.00 12.99 H new ATOM 0 HD11 ILE B 72 2.960 18.588 40.339 1.00 15.85 H new ATOM 0 HD12 ILE B 72 1.934 18.166 39.209 1.00 15.85 H new ATOM 0 HD13 ILE B 72 3.018 17.131 39.721 1.00 15.85 H new ATOM 2793 N GLY B 73 5.281 17.108 34.093 1.00 10.54 N ANISOU 2793 N GLY B 73 1172 1628 1204 -1 86 198 N ATOM 2794 CA GLY B 73 5.013 16.624 32.761 1.00 10.86 C ANISOU 2794 CA GLY B 73 1308 1492 1327 -119 -10 31 C ATOM 2795 C GLY B 73 6.127 15.776 32.227 1.00 9.88 C ANISOU 2795 C GLY B 73 1361 1270 1123 -103 -79 232 C ATOM 2796 O GLY B 73 6.967 15.305 32.962 1.00 10.99 O ANISOU 2796 O GLY B 73 1581 1397 1198 -15 -196 160 O ATOM 0 H GLY B 73 6.077 16.969 34.388 1.00 10.54 H new ATOM 0 HA2 GLY B 73 4.191 16.109 32.766 1.00 10.86 H new ATOM 0 HA3 GLY B 73 4.871 17.378 32.168 1.00 10.86 H new ATOM 2800 N THR B 74 6.060 15.600 30.915 1.00 9.96 N ANISOU 2800 N THR B 74 1576 1142 1067 -124 -7 252 N ATOM 2801 CA THR B 74 6.981 14.678 30.296 1.00 10.42 C ANISOU 2801 CA THR B 74 1584 1082 1292 -63 -175 86 C ATOM 2802 C THR B 74 8.337 15.312 30.017 1.00 10.04 C ANISOU 2802 C THR B 74 1590 889 1338 13 -40 -45 C ATOM 2803 O THR B 74 8.447 16.422 29.509 1.00 11.21 O ANISOU 2803 O THR B 74 1959 1041 1258 84 106 204 O ATOM 2804 CB THR B 74 6.369 14.177 28.999 1.00 11.15 C ANISOU 2804 CB THR B 74 1526 1424 1285 -45 -106 -13 C ATOM 2805 OG1 THR B 74 5.162 13.465 29.349 1.00 13.35 O ANISOU 2805 OG1 THR B 74 1754 1792 1526 -456 -46 -102 O ATOM 2806 CG2 THR B 74 7.313 13.257 28.266 1.00 11.97 C ANISOU 2806 CG2 THR B 74 1919 1075 1552 -38 50 -53 C ATOM 0 H THR B 74 5.507 15.992 30.385 1.00 9.96 H new ATOM 0 HA THR B 74 7.133 13.944 30.911 1.00 10.42 H new ATOM 0 HB THR B 74 6.182 14.924 28.409 1.00 11.15 H new ATOM 0 HG1 THR B 74 5.334 12.647 29.436 1.00 13.35 H new ATOM 0 HG21 THR B 74 6.897 12.954 27.444 1.00 11.97 H new ATOM 0 HG22 THR B 74 8.132 13.733 28.057 1.00 11.97 H new ATOM 0 HG23 THR B 74 7.519 12.492 28.825 1.00 11.97 H new ATOM 2814 N VAL B 75 9.369 14.612 30.441 1.00 9.96 N ANISOU 2814 N VAL B 75 1545 944 1296 -109 9 132 N ATOM 2815 CA VAL B 75 10.749 14.987 30.258 1.00 9.47 C ANISOU 2815 CA VAL B 75 1569 680 1351 -134 7 208 C ATOM 2816 C VAL B 75 11.463 13.880 29.529 1.00 9.46 C ANISOU 2816 C VAL B 75 1302 737 1556 -221 -57 165 C ATOM 2817 O VAL B 75 11.392 12.760 29.937 1.00 11.38 O ANISOU 2817 O VAL B 75 1686 711 1926 67 305 301 O ATOM 2818 CB VAL B 75 11.414 15.268 31.606 1.00 11.77 C ANISOU 2818 CB VAL B 75 1522 1276 1674 145 -260 -90 C ATOM 2819 CG1 VAL B 75 12.865 15.595 31.382 1.00 14.17 C ANISOU 2819 CG1 VAL B 75 1621 1903 1859 -91 -159 -76 C ATOM 2820 CG2 VAL B 75 10.707 16.431 32.314 1.00 13.59 C ANISOU 2820 CG2 VAL B 75 2094 1447 1621 150 -89 -259 C ATOM 0 H VAL B 75 9.278 13.869 30.864 1.00 9.96 H new ATOM 0 HA VAL B 75 10.797 15.801 29.732 1.00 9.47 H new ATOM 0 HB VAL B 75 11.346 14.482 32.171 1.00 11.77 H new ATOM 0 HG11 VAL B 75 13.292 15.774 32.234 1.00 14.17 H new ATOM 0 HG12 VAL B 75 13.304 14.844 30.953 1.00 14.17 H new ATOM 0 HG13 VAL B 75 12.936 16.378 30.814 1.00 14.17 H new ATOM 0 HG21 VAL B 75 11.137 16.600 33.167 1.00 13.59 H new ATOM 0 HG22 VAL B 75 10.761 17.227 31.762 1.00 13.59 H new ATOM 0 HG23 VAL B 75 9.776 16.202 32.461 1.00 13.59 H new ATOM 2830 N LEU B 76 12.111 14.258 28.444 1.00 10.74 N ANISOU 2830 N LEU B 76 1724 979 1378 -113 70 128 N ATOM 2831 CA LEU B 76 12.930 13.335 27.640 1.00 9.98 C ANISOU 2831 CA LEU B 76 1462 717 1613 -43 17 273 C ATOM 2832 C LEU B 76 14.357 13.543 28.061 1.00 11.09 C ANISOU 2832 C LEU B 76 1618 759 1838 -49 -136 298 C ATOM 2833 O LEU B 76 14.776 14.667 28.279 1.00 11.90 O ANISOU 2833 O LEU B 76 1469 765 2287 6 -19 25 O ATOM 2834 CB LEU B 76 12.758 13.627 26.152 1.00 9.89 C ANISOU 2834 CB LEU B 76 1436 802 1520 -87 139 8 C ATOM 2835 CG LEU B 76 11.318 13.718 25.647 1.00 10.24 C ANISOU 2835 CG LEU B 76 1545 867 1478 16 -21 -50 C ATOM 2836 CD1 LEU B 76 11.342 13.995 24.159 1.00 11.48 C ANISOU 2836 CD1 LEU B 76 2099 814 1451 6 -69 -166 C ATOM 2837 CD2 LEU B 76 10.508 12.479 25.977 1.00 10.83 C ANISOU 2837 CD2 LEU B 76 1499 1023 1594 -159 -327 -1 C ATOM 0 H LEU B 76 12.095 15.063 28.141 1.00 10.74 H new ATOM 0 HA LEU B 76 12.659 12.415 27.783 1.00 9.98 H new ATOM 0 HB2 LEU B 76 13.205 14.464 25.951 1.00 9.89 H new ATOM 0 HB3 LEU B 76 13.214 12.934 25.650 1.00 9.89 H new ATOM 0 HG LEU B 76 10.872 14.448 26.105 1.00 10.24 H new ATOM 0 HD11 LEU B 76 10.433 14.055 23.826 1.00 11.48 H new ATOM 0 HD12 LEU B 76 11.803 14.832 23.993 1.00 11.48 H new ATOM 0 HD13 LEU B 76 11.806 13.275 23.703 1.00 11.48 H new ATOM 0 HD21 LEU B 76 9.605 12.583 25.638 1.00 10.83 H new ATOM 0 HD22 LEU B 76 10.920 11.703 25.565 1.00 10.83 H new ATOM 0 HD23 LEU B 76 10.480 12.357 26.939 1.00 10.83 H new ATOM 2849 N VAL B 77 15.083 12.447 28.198 1.00 10.47 N ANISOU 2849 N VAL B 77 1550 703 1725 21 -89 167 N ATOM 2850 CA VAL B 77 16.486 12.485 28.562 1.00 12.35 C ANISOU 2850 CA VAL B 77 1609 996 2088 -21 -341 -107 C ATOM 2851 C VAL B 77 17.343 11.839 27.484 1.00 12.62 C ANISOU 2851 C VAL B 77 1392 862 2540 65 -313 -172 C ATOM 2852 O VAL B 77 17.067 10.752 27.029 1.00 13.53 O ANISOU 2852 O VAL B 77 1558 952 2631 -137 -92 -311 O ATOM 2853 CB VAL B 77 16.761 11.781 29.907 1.00 14.96 C ANISOU 2853 CB VAL B 77 1785 1510 2389 263 -493 216 C ATOM 2854 CG1 VAL B 77 18.226 11.873 30.256 1.00 17.22 C ANISOU 2854 CG1 VAL B 77 1806 1954 2784 113 -628 399 C ATOM 2855 CG2 VAL B 77 15.903 12.406 31.005 1.00 14.95 C ANISOU 2855 CG2 VAL B 77 2048 1438 2193 -35 -215 456 C ATOM 0 H VAL B 77 14.773 11.654 28.081 1.00 10.47 H new ATOM 0 HA VAL B 77 16.719 13.422 28.653 1.00 12.35 H new ATOM 0 HB VAL B 77 16.527 10.843 29.828 1.00 14.96 H new ATOM 0 HG11 VAL B 77 18.386 11.427 31.103 1.00 17.22 H new ATOM 0 HG12 VAL B 77 18.752 11.446 29.562 1.00 17.22 H new ATOM 0 HG13 VAL B 77 18.484 12.805 30.328 1.00 17.22 H new ATOM 0 HG21 VAL B 77 16.080 11.960 31.848 1.00 14.95 H new ATOM 0 HG22 VAL B 77 16.118 13.348 31.087 1.00 14.95 H new ATOM 0 HG23 VAL B 77 14.965 12.308 30.778 1.00 14.95 H new ATOM 2865 N GLY B 78 18.376 12.584 27.051 1.00 14.18 N ANISOU 2865 N GLY B 78 1605 1357 2424 -383 -166 -593 N ATOM 2866 CA GLY B 78 19.175 12.010 25.984 1.00 17.71 C ANISOU 2866 CA GLY B 78 2273 1674 2782 -135 324 -583 C ATOM 2867 C GLY B 78 20.224 13.035 25.533 1.00 16.50 C ANISOU 2867 C GLY B 78 1845 1555 2869 264 360 -484 C ATOM 2868 O GLY B 78 20.424 14.043 26.196 1.00 15.42 O ANISOU 2868 O GLY B 78 1672 1428 2759 183 -1 -224 O ATOM 0 H GLY B 78 18.609 13.360 27.340 1.00 14.18 H new ATOM 0 HA2 GLY B 78 19.610 11.199 26.291 1.00 17.71 H new ATOM 0 HA3 GLY B 78 18.607 11.762 25.238 1.00 17.71 H new ATOM 2872 N PRO B 79 20.876 12.681 24.437 1.00 18.72 N ANISOU 2872 N PRO B 79 1660 2286 3169 625 476 -510 N ATOM 2873 CA PRO B 79 22.008 13.434 23.948 1.00 20.56 C ANISOU 2873 CA PRO B 79 1721 2554 3537 793 744 -136 C ATOM 2874 C PRO B 79 21.631 14.674 23.203 1.00 22.05 C ANISOU 2874 C PRO B 79 2492 2415 3472 404 164 -214 C ATOM 2875 O PRO B 79 21.880 14.877 22.022 1.00 25.87 O ANISOU 2875 O PRO B 79 3889 2730 3210 -188 -352 -312 O ATOM 2876 CB PRO B 79 22.698 12.444 22.969 1.00 24.54 C ANISOU 2876 CB PRO B 79 2156 3200 3967 995 1019 -443 C ATOM 2877 CG PRO B 79 21.519 11.658 22.462 1.00 25.89 C ANISOU 2877 CG PRO B 79 2878 3458 3502 424 1267 -740 C ATOM 2878 CD PRO B 79 20.642 11.433 23.656 1.00 22.33 C ANISOU 2878 CD PRO B 79 2579 2831 3074 508 966 -1019 C ATOM 0 HA PRO B 79 22.560 13.741 24.685 1.00 20.56 H new ATOM 0 HB2 PRO B 79 23.166 12.903 22.254 1.00 24.54 H new ATOM 0 HB3 PRO B 79 23.348 11.880 23.417 1.00 24.54 H new ATOM 0 HG2 PRO B 79 21.047 12.145 21.769 1.00 25.89 H new ATOM 0 HG3 PRO B 79 21.802 10.816 22.073 1.00 25.89 H new ATOM 0 HD2 PRO B 79 19.710 11.326 23.409 1.00 22.33 H new ATOM 0 HD3 PRO B 79 20.897 10.639 24.152 1.00 22.33 H new ATOM 2886 N THR B 80 21.019 15.513 24.009 1.00 27.05 N ANISOU 2886 N THR B 80 3854 2281 4143 1045 465 -104 N ATOM 2887 CA THR B 80 20.724 16.831 23.491 1.00 23.58 C ANISOU 2887 CA THR B 80 3236 2660 3065 894 1063 372 C ATOM 2888 C THR B 80 21.932 17.718 23.728 1.00 20.87 C ANISOU 2888 C THR B 80 2798 2340 2793 1363 884 28 C ATOM 2889 O THR B 80 22.605 17.571 24.736 1.00 28.46 O ANISOU 2889 O THR B 80 2073 5021 3718 1733 659 1255 O ATOM 2890 CB THR B 80 19.460 17.402 24.149 1.00 19.62 C ANISOU 2890 CB THR B 80 2973 2312 2170 738 695 476 C ATOM 2891 OG1 THR B 80 19.283 18.732 23.650 1.00 21.89 O ANISOU 2891 OG1 THR B 80 4242 2247 1828 1019 431 283 O ATOM 2892 CG2 THR B 80 19.532 17.508 25.646 1.00 21.05 C ANISOU 2892 CG2 THR B 80 3694 2159 2143 589 612 625 C ATOM 0 H THR B 80 20.775 15.355 24.818 1.00 27.05 H new ATOM 0 HA THR B 80 20.546 16.785 22.539 1.00 23.58 H new ATOM 0 HB THR B 80 18.735 16.793 23.937 1.00 19.62 H new ATOM 0 HG1 THR B 80 19.318 19.278 24.288 1.00 21.89 H new ATOM 0 HG21 THR B 80 18.701 17.875 25.985 1.00 21.05 H new ATOM 0 HG22 THR B 80 19.675 16.627 26.026 1.00 21.05 H new ATOM 0 HG23 THR B 80 20.267 18.090 25.894 1.00 21.05 H new ATOM 2900 N PRO B 81 22.200 18.618 22.779 1.00 22.12 N ANISOU 2900 N PRO B 81 1802 3336 3267 1013 645 566 N ATOM 2901 CA PRO B 81 23.332 19.540 22.979 1.00 24.78 C ANISOU 2901 CA PRO B 81 1126 4257 4033 922 832 797 C ATOM 2902 C PRO B 81 23.069 20.571 24.069 1.00 22.79 C ANISOU 2902 C PRO B 81 1129 3439 4093 -234 1125 954 C ATOM 2903 O PRO B 81 24.019 21.170 24.588 1.00 28.16 O ANISOU 2903 O PRO B 81 1746 4154 4802 -446 55 1324 O ATOM 2904 CB PRO B 81 23.448 20.158 21.608 1.00 28.09 C ANISOU 2904 CB PRO B 81 1910 4575 4189 731 1346 927 C ATOM 2905 CG PRO B 81 22.104 20.063 20.978 1.00 31.14 C ANISOU 2905 CG PRO B 81 3330 4658 3844 -510 168 1455 C ATOM 2906 CD PRO B 81 21.515 18.778 21.490 1.00 28.86 C ANISOU 2906 CD PRO B 81 3682 4073 3208 -239 145 954 C ATOM 0 HA PRO B 81 24.143 19.107 23.288 1.00 24.78 H new ATOM 0 HB2 PRO B 81 23.734 21.083 21.671 1.00 28.09 H new ATOM 0 HB3 PRO B 81 24.111 19.692 21.076 1.00 28.09 H new ATOM 0 HG2 PRO B 81 21.550 20.822 21.219 1.00 31.14 H new ATOM 0 HG3 PRO B 81 22.171 20.056 20.010 1.00 31.14 H new ATOM 0 HD2 PRO B 81 20.553 18.837 21.596 1.00 28.86 H new ATOM 0 HD3 PRO B 81 21.690 18.035 20.892 1.00 28.86 H new ATOM 2914 N VAL B 82 21.867 20.872 24.497 1.00 22.54 N ANISOU 2914 N VAL B 82 1478 3064 4020 813 983 1264 N ATOM 2915 CA VAL B 82 21.470 21.890 25.473 1.00 22.04 C ANISOU 2915 CA VAL B 82 2111 2894 3371 400 969 1470 C ATOM 2916 C VAL B 82 20.161 21.445 26.130 1.00 17.43 C ANISOU 2916 C VAL B 82 1718 2576 2330 134 387 757 C ATOM 2917 O VAL B 82 19.346 20.798 25.482 1.00 15.94 O ANISOU 2917 O VAL B 82 1988 2064 2003 765 306 261 O ATOM 2918 CB VAL B 82 21.262 23.285 24.855 1.00 22.38 C ANISOU 2918 CB VAL B 82 2109 2706 3686 260 576 1362 C ATOM 2919 CG1 VAL B 82 20.180 23.272 23.756 1.00 25.27 C ANISOU 2919 CG1 VAL B 82 2138 2554 4908 578 -83 1199 C ATOM 2920 CG2 VAL B 82 20.877 24.347 25.882 1.00 30.47 C ANISOU 2920 CG2 VAL B 82 4330 2644 4604 -245 1013 799 C ATOM 0 H VAL B 82 21.182 20.447 24.199 1.00 22.54 H new ATOM 0 HA VAL B 82 22.193 21.970 26.115 1.00 22.04 H new ATOM 0 HB VAL B 82 22.124 23.515 24.474 1.00 22.38 H new ATOM 0 HG11 VAL B 82 20.078 24.165 23.392 1.00 25.27 H new ATOM 0 HG12 VAL B 82 20.444 22.663 23.049 1.00 25.27 H new ATOM 0 HG13 VAL B 82 19.337 22.979 24.135 1.00 25.27 H new ATOM 0 HG21 VAL B 82 20.760 25.201 25.437 1.00 30.47 H new ATOM 0 HG22 VAL B 82 20.047 24.092 26.316 1.00 30.47 H new ATOM 0 HG23 VAL B 82 21.579 24.424 26.547 1.00 30.47 H new ATOM 2930 N ASN B 83 19.920 21.746 27.412 1.00 14.76 N ANISOU 2930 N ASN B 83 1298 1868 2443 -151 101 379 N ATOM 2931 CA ASN B 83 18.615 21.425 27.995 1.00 10.99 C ANISOU 2931 CA ASN B 83 1100 1213 1864 -142 -112 -43 C ATOM 2932 C ASN B 83 17.551 22.308 27.382 1.00 10.42 C ANISOU 2932 C ASN B 83 1331 937 1692 -236 -102 29 C ATOM 2933 O ASN B 83 17.722 23.522 27.287 1.00 11.57 O ANISOU 2933 O ASN B 83 1634 871 1890 -253 -103 -132 O ATOM 2934 CB ASN B 83 18.611 21.663 29.483 1.00 11.51 C ANISOU 2934 CB ASN B 83 1529 995 1850 -99 -261 -57 C ATOM 2935 CG ASN B 83 19.585 20.771 30.211 1.00 12.63 C ANISOU 2935 CG ASN B 83 1679 1135 1984 -70 -386 12 C ATOM 2936 OD1 ASN B 83 19.731 19.618 29.859 1.00 15.02 O ANISOU 2936 OD1 ASN B 83 2068 1111 2529 35 -805 69 O ATOM 2937 ND2 ASN B 83 20.200 21.290 31.258 1.00 15.77 N ANISOU 2937 ND2 ASN B 83 1883 1968 2140 -59 -603 -191 N ATOM 0 H ASN B 83 20.480 22.124 27.945 1.00 14.76 H new ATOM 0 HA ASN B 83 18.435 20.489 27.816 1.00 10.99 H new ATOM 0 HB2 ASN B 83 18.832 22.591 29.660 1.00 11.51 H new ATOM 0 HB3 ASN B 83 17.718 21.513 29.830 1.00 11.51 H new ATOM 0 HD21 ASN B 83 20.734 20.806 31.727 1.00 15.77 H new ATOM 0 HD22 ASN B 83 20.067 22.112 31.471 1.00 15.77 H new ATOM 2944 N ILE B 84 16.468 21.695 26.950 1.00 8.77 N ANISOU 2944 N ILE B 84 1203 790 1338 -168 -41 158 N ATOM 2945 CA ILE B 84 15.449 22.350 26.161 1.00 8.14 C ANISOU 2945 CA ILE B 84 1344 601 1149 43 28 -58 C ATOM 2946 C ILE B 84 14.098 22.204 26.840 1.00 8.49 C ANISOU 2946 C ILE B 84 1284 823 1117 -31 -63 64 C ATOM 2947 O ILE B 84 13.676 21.100 27.086 1.00 10.30 O ANISOU 2947 O ILE B 84 1378 811 1724 -29 120 -17 O ATOM 2948 CB ILE B 84 15.370 21.722 24.738 1.00 9.91 C ANISOU 2948 CB ILE B 84 1567 990 1207 103 -18 -146 C ATOM 2949 CG1 ILE B 84 16.624 22.066 23.944 1.00 12.32 C ANISOU 2949 CG1 ILE B 84 1792 1700 1189 469 273 119 C ATOM 2950 CG2 ILE B 84 14.106 22.103 24.009 1.00 11.90 C ANISOU 2950 CG2 ILE B 84 1778 1476 1267 77 -239 -202 C ATOM 2951 CD1 ILE B 84 16.810 21.169 22.778 1.00 16.99 C ANISOU 2951 CD1 ILE B 84 2700 2414 1344 137 392 -319 C ATOM 0 H ILE B 84 16.301 20.867 27.111 1.00 8.77 H new ATOM 0 HA ILE B 84 15.681 23.289 26.083 1.00 8.14 H new ATOM 0 HB ILE B 84 15.331 20.758 24.837 1.00 9.91 H new ATOM 0 HG12 ILE B 84 16.570 22.985 23.638 1.00 12.32 H new ATOM 0 HG13 ILE B 84 17.399 22.005 24.524 1.00 12.32 H new ATOM 0 HG21 ILE B 84 14.102 21.690 23.131 1.00 11.90 H new ATOM 0 HG22 ILE B 84 13.336 21.797 24.514 1.00 11.90 H new ATOM 0 HG23 ILE B 84 14.066 23.067 23.912 1.00 11.90 H new ATOM 0 HD11 ILE B 84 17.616 21.421 22.301 1.00 16.99 H new ATOM 0 HD12 ILE B 84 16.889 20.252 23.084 1.00 16.99 H new ATOM 0 HD13 ILE B 84 16.047 21.247 22.185 1.00 16.99 H new ATOM 2963 N ILE B 85 13.466 23.339 27.119 1.00 7.90 N ANISOU 2963 N ILE B 85 1223 852 925 -41 67 92 N ATOM 2964 CA ILE B 85 12.088 23.340 27.589 1.00 8.37 C ANISOU 2964 CA ILE B 85 1220 946 1014 -162 -4 1 C ATOM 2965 C ILE B 85 11.209 23.601 26.375 1.00 7.99 C ANISOU 2965 C ILE B 85 1237 984 815 4 149 -107 C ATOM 2966 O ILE B 85 11.233 24.692 25.797 1.00 10.03 O ANISOU 2966 O ILE B 85 1751 997 1061 -141 -234 24 O ATOM 2967 CB ILE B 85 11.868 24.386 28.668 1.00 8.84 C ANISOU 2967 CB ILE B 85 1406 1149 802 14 6 -12 C ATOM 2968 CG1 ILE B 85 12.893 24.283 29.780 1.00 10.05 C ANISOU 2968 CG1 ILE B 85 1704 1194 919 174 -149 -3 C ATOM 2969 CG2 ILE B 85 10.422 24.369 29.133 1.00 10.03 C ANISOU 2969 CG2 ILE B 85 1504 1188 1118 -227 146 -161 C ATOM 2970 CD1 ILE B 85 12.921 22.962 30.484 1.00 11.49 C ANISOU 2970 CD1 ILE B 85 1888 1112 1367 98 -415 56 C ATOM 0 H ILE B 85 13.819 24.120 27.042 1.00 7.90 H new ATOM 0 HA ILE B 85 11.866 22.488 27.996 1.00 8.37 H new ATOM 0 HB ILE B 85 12.018 25.267 28.290 1.00 8.84 H new ATOM 0 HG12 ILE B 85 13.773 24.457 29.410 1.00 10.05 H new ATOM 0 HG13 ILE B 85 12.716 24.979 30.432 1.00 10.05 H new ATOM 0 HG21 ILE B 85 10.295 25.041 29.821 1.00 10.03 H new ATOM 0 HG22 ILE B 85 9.838 24.561 28.383 1.00 10.03 H new ATOM 0 HG23 ILE B 85 10.208 23.494 29.493 1.00 10.03 H new ATOM 0 HD11 ILE B 85 13.600 22.979 31.177 1.00 11.49 H new ATOM 0 HD12 ILE B 85 12.055 22.790 30.885 1.00 11.49 H new ATOM 0 HD13 ILE B 85 13.127 22.260 29.847 1.00 11.49 H new ATOM 2982 N GLY B 86 10.459 22.573 26.022 1.00 8.59 N ANISOU 2982 N GLY B 86 1319 991 955 -42 -133 62 N ATOM 2983 CA GLY B 86 9.580 22.629 24.890 1.00 9.25 C ANISOU 2983 CA GLY B 86 1308 1349 857 -9 -25 -24 C ATOM 2984 C GLY B 86 8.155 22.972 25.226 1.00 8.31 C ANISOU 2984 C GLY B 86 1212 1044 900 -100 -39 -35 C ATOM 2985 O GLY B 86 7.810 23.246 26.360 1.00 8.92 O ANISOU 2985 O GLY B 86 1303 1175 912 -20 -8 5 O ATOM 0 H GLY B 86 10.450 21.821 26.440 1.00 8.59 H new ATOM 0 HA2 GLY B 86 9.920 23.286 24.263 1.00 9.25 H new ATOM 0 HA3 GLY B 86 9.597 21.771 24.439 1.00 9.25 H new ATOM 2989 N ARG B 87 7.314 22.953 24.204 1.00 9.12 N ANISOU 2989 N ARG B 87 1317 1213 934 -74 -150 61 N ATOM 2990 CA ARG B 87 5.980 23.490 24.344 1.00 9.63 C ANISOU 2990 CA ARG B 87 1290 1300 1071 -7 -152 137 C ATOM 2991 C ARG B 87 5.171 22.712 25.348 1.00 9.59 C ANISOU 2991 C ARG B 87 1309 1282 1054 24 -60 -53 C ATOM 2992 O ARG B 87 4.263 23.255 25.933 1.00 10.56 O ANISOU 2992 O ARG B 87 1435 1468 1110 185 5 16 O ATOM 2993 CB ARG B 87 5.279 23.477 22.963 1.00 10.30 C ANISOU 2993 CB ARG B 87 1403 1221 1291 -194 -338 349 C ATOM 2994 CG ARG B 87 5.908 24.486 22.001 1.00 9.27 C ANISOU 2994 CG ARG B 87 1376 1087 1058 -83 50 50 C ATOM 2995 CD ARG B 87 5.165 24.685 20.704 1.00 9.86 C ANISOU 2995 CD ARG B 87 1464 1258 1023 69 103 128 C ATOM 2996 NE ARG B 87 5.118 23.408 19.980 1.00 10.72 N ANISOU 2996 NE ARG B 87 1654 1387 1032 -96 -167 70 N ATOM 2997 CZ ARG B 87 4.166 22.511 19.994 1.00 11.42 C ANISOU 2997 CZ ARG B 87 1583 1894 863 -316 -211 -117 C ATOM 2998 NH1 ARG B 87 3.015 22.689 20.638 1.00 13.02 N ANISOU 2998 NH1 ARG B 87 1618 1779 1552 -3 -10 172 N ATOM 2999 NH2 ARG B 87 4.302 21.384 19.312 1.00 12.25 N ANISOU 2999 NH2 ARG B 87 1653 1763 1240 -379 -88 -174 N ATOM 0 H ARG B 87 7.498 22.635 23.426 1.00 9.12 H new ATOM 0 HA ARG B 87 6.048 24.401 24.671 1.00 9.63 H new ATOM 0 HB2 ARG B 87 5.333 22.587 22.580 1.00 10.30 H new ATOM 0 HB3 ARG B 87 4.337 23.680 23.076 1.00 10.30 H new ATOM 0 HG2 ARG B 87 5.977 25.342 22.452 1.00 9.27 H new ATOM 0 HG3 ARG B 87 6.812 24.198 21.799 1.00 9.27 H new ATOM 0 HD2 ARG B 87 4.266 25.005 20.878 1.00 9.86 H new ATOM 0 HD3 ARG B 87 5.606 25.360 20.165 1.00 9.86 H new ATOM 0 HE ARG B 87 5.799 23.228 19.487 1.00 10.72 H new ATOM 0 HH11 ARG B 87 2.872 23.419 21.070 1.00 13.02 H new ATOM 0 HH12 ARG B 87 2.414 22.074 20.623 1.00 13.02 H new ATOM 0 HH21 ARG B 87 5.018 21.240 18.858 1.00 12.25 H new ATOM 0 HH22 ARG B 87 3.674 20.796 19.323 1.00 12.25 H new ATOM 3013 N ASN B 88 5.469 21.428 25.526 1.00 9.81 N ANISOU 3013 N ASN B 88 1195 1289 1243 6 49 72 N ATOM 3014 CA ASN B 88 4.699 20.633 26.486 1.00 10.22 C ANISOU 3014 CA ASN B 88 1263 1464 1158 -4 44 101 C ATOM 3015 C ASN B 88 4.756 21.297 27.857 1.00 10.27 C ANISOU 3015 C ASN B 88 1180 1556 1166 165 -69 64 C ATOM 3016 O ASN B 88 3.786 21.243 28.572 1.00 12.06 O ANISOU 3016 O ASN B 88 1393 1943 1246 -68 89 -6 O ATOM 3017 CB ASN B 88 5.145 19.188 26.551 1.00 10.76 C ANISOU 3017 CB ASN B 88 1391 1395 1302 -105 -111 88 C ATOM 3018 CG ASN B 88 6.491 18.978 27.195 1.00 10.40 C ANISOU 3018 CG ASN B 88 1275 1497 1181 -53 50 185 C ATOM 3019 OD1 ASN B 88 7.454 19.603 26.768 1.00 10.51 O ANISOU 3019 OD1 ASN B 88 1331 1204 1456 -104 108 137 O ATOM 3020 ND2 ASN B 88 6.521 18.132 28.205 1.00 10.61 N ANISOU 3020 ND2 ASN B 88 1303 1379 1349 -142 -56 265 N ATOM 0 H ASN B 88 6.095 21.005 25.115 1.00 9.81 H new ATOM 0 HA ASN B 88 3.779 20.608 26.178 1.00 10.22 H new ATOM 0 HB2 ASN B 88 4.481 18.678 27.042 1.00 10.76 H new ATOM 0 HB3 ASN B 88 5.170 18.828 25.651 1.00 10.76 H new ATOM 0 HD21 ASN B 88 7.260 17.984 28.620 1.00 10.61 H new ATOM 0 HD22 ASN B 88 5.802 17.728 28.449 1.00 10.61 H new ATOM 3027 N LEU B 89 5.871 21.894 28.217 1.00 10.21 N ANISOU 3027 N LEU B 89 1312 1523 1042 -13 50 105 N ATOM 3028 CA LEU B 89 5.994 22.561 29.520 1.00 9.24 C ANISOU 3028 CA LEU B 89 1162 1392 957 110 7 207 C ATOM 3029 C LEU B 89 5.815 24.062 29.401 1.00 9.22 C ANISOU 3029 C LEU B 89 1126 1407 971 140 -59 166 C ATOM 3030 O LEU B 89 5.378 24.660 30.372 1.00 10.85 O ANISOU 3030 O LEU B 89 1705 1406 1012 261 126 212 O ATOM 3031 CB LEU B 89 7.302 22.237 30.232 1.00 9.80 C ANISOU 3031 CB LEU B 89 1165 1528 1029 317 54 86 C ATOM 3032 CG LEU B 89 7.489 20.720 30.453 1.00 11.03 C ANISOU 3032 CG LEU B 89 1611 1582 998 348 -1 226 C ATOM 3033 CD1 LEU B 89 8.800 20.475 31.184 1.00 13.14 C ANISOU 3033 CD1 LEU B 89 1811 2024 1158 890 -110 50 C ATOM 3034 CD2 LEU B 89 6.321 20.133 31.183 1.00 13.72 C ANISOU 3034 CD2 LEU B 89 1987 1709 1516 134 307 247 C ATOM 0 H LEU B 89 6.578 21.931 27.728 1.00 10.21 H new ATOM 0 HA LEU B 89 5.275 22.207 30.066 1.00 9.24 H new ATOM 0 HB2 LEU B 89 8.045 22.580 29.711 1.00 9.80 H new ATOM 0 HB3 LEU B 89 7.323 22.692 31.089 1.00 9.80 H new ATOM 0 HG LEU B 89 7.530 20.273 29.593 1.00 11.03 H new ATOM 0 HD11 LEU B 89 8.920 19.523 31.324 1.00 13.14 H new ATOM 0 HD12 LEU B 89 9.536 20.818 30.653 1.00 13.14 H new ATOM 0 HD13 LEU B 89 8.782 20.928 32.042 1.00 13.14 H new ATOM 0 HD21 LEU B 89 6.463 19.182 31.309 1.00 13.72 H new ATOM 0 HD22 LEU B 89 6.230 20.563 32.048 1.00 13.72 H new ATOM 0 HD23 LEU B 89 5.512 20.273 30.666 1.00 13.72 H new ATOM 3046 N LEU B 90 6.116 24.651 28.252 1.00 9.25 N ANISOU 3046 N LEU B 90 1389 1115 1012 335 126 44 N ATOM 3047 CA LEU B 90 5.880 26.071 28.126 1.00 9.19 C ANISOU 3047 CA LEU B 90 1295 1188 1010 289 27 73 C ATOM 3048 C LEU B 90 4.397 26.351 28.308 1.00 9.84 C ANISOU 3048 C LEU B 90 1209 1207 1323 277 42 113 C ATOM 3049 O LEU B 90 4.031 27.374 28.902 1.00 10.90 O ANISOU 3049 O LEU B 90 1421 1250 1470 253 210 44 O ATOM 3050 CB LEU B 90 6.387 26.594 26.773 1.00 9.53 C ANISOU 3050 CB LEU B 90 1324 1261 1036 293 -5 171 C ATOM 3051 CG LEU B 90 7.892 26.516 26.578 1.00 9.56 C ANISOU 3051 CG LEU B 90 1274 1184 1173 155 59 45 C ATOM 3052 CD1 LEU B 90 8.234 26.868 25.138 1.00 11.61 C ANISOU 3052 CD1 LEU B 90 1759 1325 1326 38 326 192 C ATOM 3053 CD2 LEU B 90 8.646 27.398 27.527 1.00 12.16 C ANISOU 3053 CD2 LEU B 90 1586 1429 1603 -19 -12 -196 C ATOM 0 H LEU B 90 6.445 24.261 27.560 1.00 9.25 H new ATOM 0 HA LEU B 90 6.374 26.540 28.816 1.00 9.19 H new ATOM 0 HB2 LEU B 90 5.956 26.090 26.065 1.00 9.53 H new ATOM 0 HB3 LEU B 90 6.109 27.518 26.674 1.00 9.53 H new ATOM 0 HG LEU B 90 8.166 25.606 26.771 1.00 9.56 H new ATOM 0 HD11 LEU B 90 9.195 26.819 25.012 1.00 11.61 H new ATOM 0 HD12 LEU B 90 7.797 26.242 24.539 1.00 11.61 H new ATOM 0 HD13 LEU B 90 7.929 27.768 24.943 1.00 11.61 H new ATOM 0 HD21 LEU B 90 9.598 27.312 27.362 1.00 12.16 H new ATOM 0 HD22 LEU B 90 8.377 28.321 27.394 1.00 12.16 H new ATOM 0 HD23 LEU B 90 8.451 27.133 28.440 1.00 12.16 H new ATOM 3065 N THR B 91 3.531 25.486 27.776 1.00 10.47 N ANISOU 3065 N THR B 91 1264 1298 1417 224 231 -21 N ATOM 3066 CA THR B 91 2.110 25.726 27.969 1.00 10.79 C ANISOU 3066 CA THR B 91 1129 1700 1270 96 154 311 C ATOM 3067 C THR B 91 1.718 25.614 29.432 1.00 10.96 C ANISOU 3067 C THR B 91 1073 1672 1421 -3 241 488 C ATOM 3068 O THR B 91 0.863 26.335 29.919 1.00 13.71 O ANISOU 3068 O THR B 91 1698 2227 1285 614 304 463 O ATOM 3069 CB THR B 91 1.283 24.733 27.131 1.00 12.15 C ANISOU 3069 CB THR B 91 1369 1754 1493 7 10 380 C ATOM 3070 OG1 THR B 91 1.699 23.414 27.438 1.00 12.62 O ANISOU 3070 OG1 THR B 91 1489 1725 1580 136 23 203 O ATOM 3071 CG2 THR B 91 1.419 25.014 25.640 1.00 13.30 C ANISOU 3071 CG2 THR B 91 1452 2160 1443 -107 -55 322 C ATOM 0 H THR B 91 3.737 24.786 27.321 1.00 10.47 H new ATOM 0 HA THR B 91 1.923 26.631 27.675 1.00 10.79 H new ATOM 0 HB THR B 91 0.345 24.837 27.353 1.00 12.15 H new ATOM 0 HG1 THR B 91 1.407 22.885 26.855 1.00 12.62 H new ATOM 0 HG21 THR B 91 0.888 24.374 25.140 1.00 13.30 H new ATOM 0 HG22 THR B 91 1.105 25.912 25.450 1.00 13.30 H new ATOM 0 HG23 THR B 91 2.350 24.935 25.379 1.00 13.30 H new ATOM 3079 N GLN B 92 2.383 24.714 30.173 1.00 11.26 N ANISOU 3079 N GLN B 92 1395 1685 1200 209 149 236 N ATOM 3080 CA GLN B 92 2.036 24.561 31.566 1.00 11.76 C ANISOU 3080 CA GLN B 92 1483 1720 1267 17 114 347 C ATOM 3081 C GLN B 92 2.414 25.813 32.369 1.00 13.13 C ANISOU 3081 C GLN B 92 1935 1810 1243 -55 313 148 C ATOM 3082 O GLN B 92 1.817 26.003 33.405 1.00 17.48 O ANISOU 3082 O GLN B 92 2699 2080 1861 -326 1116 -7 O ATOM 3083 CB GLN B 92 2.783 23.417 32.212 1.00 11.81 C ANISOU 3083 CB GLN B 92 1375 1740 1374 -86 0 413 C ATOM 3084 CG GLN B 92 2.285 22.046 31.793 1.00 11.41 C ANISOU 3084 CG GLN B 92 1208 1743 1386 -46 17 311 C ATOM 3085 CD GLN B 92 2.610 20.939 32.752 1.00 11.58 C ANISOU 3085 CD GLN B 92 1419 1631 1350 -10 -142 176 C ATOM 3086 OE1 GLN B 92 2.911 21.162 33.927 1.00 11.74 O ANISOU 3086 OE1 GLN B 92 1478 1712 1272 -99 -50 132 O ATOM 3087 NE2 GLN B 92 2.570 19.728 32.248 1.00 11.91 N ANISOU 3087 NE2 GLN B 92 1660 1680 1185 -191 0 167 N ATOM 0 H GLN B 92 3.015 24.205 29.888 1.00 11.26 H new ATOM 0 HA GLN B 92 1.080 24.400 31.580 1.00 11.76 H new ATOM 0 HB2 GLN B 92 3.725 23.491 31.991 1.00 11.81 H new ATOM 0 HB3 GLN B 92 2.710 23.498 33.176 1.00 11.81 H new ATOM 0 HG2 GLN B 92 1.323 22.086 31.679 1.00 11.41 H new ATOM 0 HG3 GLN B 92 2.664 21.829 30.927 1.00 11.41 H new ATOM 0 HE21 GLN B 92 2.355 19.612 31.423 1.00 11.91 H new ATOM 0 HE22 GLN B 92 2.758 19.050 32.742 1.00 11.91 H new ATOM 3096 N ILE B 93 3.429 26.561 31.939 1.00 12.12 N ANISOU 3096 N ILE B 93 1740 1732 1131 20 277 19 N ATOM 3097 CA ILE B 93 3.800 27.761 32.698 1.00 13.87 C ANISOU 3097 CA ILE B 93 2100 1801 1369 -89 337 -92 C ATOM 3098 C ILE B 93 3.160 29.004 32.102 1.00 14.33 C ANISOU 3098 C ILE B 93 2057 1704 1684 -91 576 32 C ATOM 3099 O ILE B 93 3.427 30.113 32.572 1.00 18.29 O ANISOU 3099 O ILE B 93 2683 1829 2436 127 290 -426 O ATOM 3100 CB ILE B 93 5.333 27.941 32.829 1.00 14.75 C ANISOU 3100 CB ILE B 93 2124 1878 1600 -162 193 -196 C ATOM 3101 CG1 ILE B 93 6.000 28.292 31.512 1.00 14.19 C ANISOU 3101 CG1 ILE B 93 1998 1724 1670 -96 244 -87 C ATOM 3102 CG2 ILE B 93 5.946 26.716 33.485 1.00 15.81 C ANISOU 3102 CG2 ILE B 93 2256 2085 1665 -180 -2 56 C ATOM 3103 CD1 ILE B 93 7.504 28.440 31.587 1.00 20.87 C ANISOU 3103 CD1 ILE B 93 2156 3209 2565 -1032 256 -435 C ATOM 0 H ILE B 93 3.901 26.403 31.238 1.00 12.12 H new ATOM 0 HA ILE B 93 3.456 27.634 33.596 1.00 13.87 H new ATOM 0 HB ILE B 93 5.495 28.705 33.404 1.00 14.75 H new ATOM 0 HG12 ILE B 93 5.787 27.605 30.862 1.00 14.19 H new ATOM 0 HG13 ILE B 93 5.621 29.122 31.182 1.00 14.19 H new ATOM 0 HG21 ILE B 93 6.905 26.837 33.563 1.00 15.81 H new ATOM 0 HG22 ILE B 93 5.563 26.595 34.368 1.00 15.81 H new ATOM 0 HG23 ILE B 93 5.762 25.933 32.943 1.00 15.81 H new ATOM 0 HD11 ILE B 93 7.852 28.663 30.709 1.00 20.87 H new ATOM 0 HD12 ILE B 93 7.729 29.146 32.213 1.00 20.87 H new ATOM 0 HD13 ILE B 93 7.897 27.605 31.887 1.00 20.87 H new ATOM 3115 N GLY B 94 2.283 28.823 31.116 1.00 13.77 N ANISOU 3115 N GLY B 94 1878 1498 1857 320 521 -45 N ATOM 3116 CA GLY B 94 1.488 29.918 30.568 1.00 15.66 C ANISOU 3116 CA GLY B 94 2487 1677 1785 641 793 159 C ATOM 3117 C GLY B 94 2.226 30.774 29.591 1.00 15.55 C ANISOU 3117 C GLY B 94 2488 1228 2190 376 842 -49 C ATOM 3118 O GLY B 94 1.840 31.919 29.398 1.00 16.47 O ANISOU 3118 O GLY B 94 2241 1295 2720 409 517 68 O ATOM 0 H GLY B 94 2.133 28.061 30.746 1.00 13.77 H new ATOM 0 HA2 GLY B 94 0.703 29.550 30.133 1.00 15.66 H new ATOM 0 HA3 GLY B 94 1.173 30.474 31.298 1.00 15.66 H new ATOM 3122 N ALA B 95 3.286 30.243 28.989 1.00 14.28 N ANISOU 3122 N ALA B 95 2086 1562 1777 530 485 264 N ATOM 3123 CA ALA B 95 4.060 31.069 28.064 1.00 13.56 C ANISOU 3123 CA ALA B 95 2094 1423 1635 459 403 70 C ATOM 3124 C ALA B 95 3.412 31.230 26.700 1.00 13.62 C ANISOU 3124 C ALA B 95 2203 1441 1530 307 480 -52 C ATOM 3125 O ALA B 95 2.903 30.286 26.100 1.00 14.85 O ANISOU 3125 O ALA B 95 2158 1618 1867 82 400 -70 O ATOM 3126 CB ALA B 95 5.454 30.486 27.870 1.00 14.96 C ANISOU 3126 CB ALA B 95 2092 1446 2146 482 555 126 C ATOM 0 H ALA B 95 3.567 29.437 29.095 1.00 14.28 H new ATOM 0 HA ALA B 95 4.103 31.947 28.474 1.00 13.56 H new ATOM 0 HB1 ALA B 95 5.955 31.044 27.255 1.00 14.96 H new ATOM 0 HB2 ALA B 95 5.913 30.454 28.724 1.00 14.96 H new ATOM 0 HB3 ALA B 95 5.382 29.589 27.508 1.00 14.96 H new ATOM 3132 N THR B 96 3.507 32.439 26.186 1.00 13.43 N ANISOU 3132 N THR B 96 2118 1398 1588 459 179 33 N ATOM 3133 CA THR B 96 3.108 32.764 24.840 1.00 13.63 C ANISOU 3133 CA THR B 96 1630 2063 1485 293 303 91 C ATOM 3134 C THR B 96 4.237 33.541 24.171 1.00 13.26 C ANISOU 3134 C THR B 96 1672 1862 1503 264 315 -63 C ATOM 3135 O THR B 96 5.100 34.096 24.857 1.00 13.95 O ANISOU 3135 O THR B 96 2129 1439 1733 154 -1 85 O ATOM 3136 CB THR B 96 1.844 33.620 24.825 1.00 14.84 C ANISOU 3136 CB THR B 96 1481 2468 1688 266 49 45 C ATOM 3137 OG1 THR B 96 2.046 34.799 25.608 1.00 16.08 O ANISOU 3137 OG1 THR B 96 1994 2072 2042 423 463 100 O ATOM 3138 CG2 THR B 96 0.695 32.832 25.453 1.00 15.78 C ANISOU 3138 CG2 THR B 96 1584 2513 1897 255 285 -132 C ATOM 0 H THR B 96 3.815 33.112 26.625 1.00 13.43 H new ATOM 0 HA THR B 96 2.923 31.938 24.365 1.00 13.63 H new ATOM 0 HB THR B 96 1.638 33.858 23.908 1.00 14.84 H new ATOM 0 HG1 THR B 96 1.369 35.292 25.552 1.00 16.08 H new ATOM 0 HG21 THR B 96 -0.110 33.372 25.446 1.00 15.78 H new ATOM 0 HG22 THR B 96 0.544 32.020 24.945 1.00 15.78 H new ATOM 0 HG23 THR B 96 0.922 32.603 26.368 1.00 15.78 H new ATOM 3146 N LEU B 97 4.162 33.521 22.840 1.00 12.45 N ANISOU 3146 N LEU B 97 2037 1148 1546 98 176 101 N ATOM 3147 CA LEU B 97 5.048 34.344 22.017 1.00 12.56 C ANISOU 3147 CA LEU B 97 2035 1375 1362 -47 95 -46 C ATOM 3148 C LEU B 97 4.208 35.535 21.580 1.00 13.72 C ANISOU 3148 C LEU B 97 2062 1611 1540 -154 27 455 C ATOM 3149 O LEU B 97 3.084 35.335 21.151 1.00 17.67 O ANISOU 3149 O LEU B 97 2435 1710 2569 -159 -643 409 O ATOM 3150 CB LEU B 97 5.538 33.537 20.851 1.00 15.49 C ANISOU 3150 CB LEU B 97 2572 1920 1393 -460 201 -539 C ATOM 3151 CG LEU B 97 6.716 33.900 20.018 1.00 20.34 C ANISOU 3151 CG LEU B 97 2243 3064 2423 68 612 -606 C ATOM 3152 CD1 LEU B 97 7.967 34.162 20.830 1.00 18.96 C ANISOU 3152 CD1 LEU B 97 2240 2478 2484 126 515 -335 C ATOM 3153 CD2 LEU B 97 6.917 32.741 19.046 1.00 26.76 C ANISOU 3153 CD2 LEU B 97 2773 5411 1983 2032 -545 -1656 C ATOM 0 H LEU B 97 3.606 33.039 22.395 1.00 12.45 H new ATOM 0 HA LEU B 97 5.837 34.646 22.493 1.00 12.56 H new ATOM 0 HB2 LEU B 97 5.714 32.647 21.194 1.00 15.49 H new ATOM 0 HB3 LEU B 97 4.788 33.463 20.240 1.00 15.49 H new ATOM 0 HG LEU B 97 6.549 34.736 19.556 1.00 20.34 H new ATOM 0 HD11 LEU B 97 8.697 34.393 20.235 1.00 18.96 H new ATOM 0 HD12 LEU B 97 7.807 34.896 21.444 1.00 18.96 H new ATOM 0 HD13 LEU B 97 8.200 33.366 21.332 1.00 18.96 H new ATOM 0 HD21 LEU B 97 7.678 32.926 18.474 1.00 26.76 H new ATOM 0 HD22 LEU B 97 7.079 31.925 19.544 1.00 26.76 H new ATOM 0 HD23 LEU B 97 6.122 32.634 18.501 1.00 26.76 H new ATOM 3165 N ASN B 98 4.754 36.723 21.705 1.00 12.78 N ANISOU 3165 N ASN B 98 1530 1517 1809 194 228 153 N ATOM 3166 CA ASN B 98 4.028 37.953 21.432 1.00 12.82 C ANISOU 3166 CA ASN B 98 1501 1583 1788 308 84 -4 C ATOM 3167 C ASN B 98 4.905 38.872 20.599 1.00 13.51 C ANISOU 3167 C ASN B 98 1787 1534 1813 294 108 57 C ATOM 3168 O ASN B 98 6.100 39.070 20.864 1.00 14.92 O ANISOU 3168 O ASN B 98 1703 1920 2045 122 117 238 O ATOM 3169 CB ASN B 98 3.701 38.637 22.749 1.00 14.55 C ANISOU 3169 CB ASN B 98 2268 1463 1796 220 266 80 C ATOM 3170 CG ASN B 98 2.769 37.810 23.600 1.00 15.73 C ANISOU 3170 CG ASN B 98 2075 1877 2025 271 473 63 C ATOM 3171 OD1 ASN B 98 1.587 37.992 23.573 1.00 23.70 O ANISOU 3171 OD1 ASN B 98 2042 2864 4099 500 772 49 O ATOM 3172 ND2 ASN B 98 3.328 36.868 24.321 1.00 16.07 N ANISOU 3172 ND2 ASN B 98 2543 1488 2075 130 752 156 N ATOM 0 H ASN B 98 5.568 36.846 21.954 1.00 12.78 H new ATOM 0 HA ASN B 98 3.209 37.754 20.951 1.00 12.82 H new ATOM 0 HB2 ASN B 98 4.522 38.804 23.238 1.00 14.55 H new ATOM 0 HB3 ASN B 98 3.296 39.500 22.572 1.00 14.55 H new ATOM 0 HD21 ASN B 98 2.840 36.348 24.802 1.00 16.07 H new ATOM 0 HD22 ASN B 98 4.182 36.770 24.313 1.00 16.07 H new ATOM 3179 N PHE B 99 4.289 39.462 19.579 1.00 15.04 N ANISOU 3179 N PHE B 99 1961 1906 1846 57 -35 238 N ATOM 3180 CA PHE B 99 4.922 40.531 18.820 1.00 16.41 C ANISOU 3180 CA PHE B 99 2328 1780 2127 111 292 286 C ATOM 3181 C PHE B 99 3.864 41.426 18.179 1.00 19.50 C ANISOU 3181 C PHE B 99 2891 1347 3172 292 -129 206 C ATOM 3182 O PHE B 99 4.165 42.396 17.491 1.00 22.32 O ANISOU 3182 O PHE B 99 3480 1949 3053 657 475 541 O ATOM 3183 CB PHE B 99 5.897 40.044 17.752 1.00 17.49 C ANISOU 3183 CB PHE B 99 2698 2007 1939 235 346 391 C ATOM 3184 CG PHE B 99 5.348 39.010 16.804 1.00 17.98 C ANISOU 3184 CG PHE B 99 2505 2123 2203 511 203 156 C ATOM 3185 CD1 PHE B 99 5.356 37.668 17.131 1.00 19.60 C ANISOU 3185 CD1 PHE B 99 3087 2042 2319 610 -70 -33 C ATOM 3186 CD2 PHE B 99 4.843 39.437 15.575 1.00 19.96 C ANISOU 3186 CD2 PHE B 99 3365 2282 1937 504 252 120 C ATOM 3187 CE1 PHE B 99 4.829 36.776 16.204 1.00 22.96 C ANISOU 3187 CE1 PHE B 99 3566 2519 2640 -197 183 -166 C ATOM 3188 CE2 PHE B 99 4.279 38.546 14.702 1.00 24.34 C ANISOU 3188 CE2 PHE B 99 3809 2918 2523 651 -225 -408 C ATOM 3189 CZ PHE B 99 4.269 37.205 15.034 1.00 24.39 C ANISOU 3189 CZ PHE B 99 4283 2923 2062 -364 205 -485 C ATOM 3190 OXT PHE B 99 2.665 41.115 18.387 1.00 22.76 O ANISOU 3190 OXT PHE B 99 2720 2942 2985 829 230 995 O ATOM 0 H PHE B 99 3.499 39.255 19.310 1.00 15.04 H new ATOM 0 HA PHE B 99 5.447 41.033 19.463 1.00 16.41 H new ATOM 0 HB2 PHE B 99 6.197 40.808 17.236 1.00 17.49 H new ATOM 0 HB3 PHE B 99 6.679 39.675 18.192 1.00 17.49 H new ATOM 0 HD1 PHE B 99 5.701 37.372 17.942 1.00 19.60 H new ATOM 0 HD2 PHE B 99 4.890 40.337 15.346 1.00 19.96 H new ATOM 0 HE1 PHE B 99 4.858 35.864 16.385 1.00 22.96 H new ATOM 0 HE2 PHE B 99 3.909 38.838 13.900 1.00 24.34 H new ATOM 0 HZ PHE B 99 3.878 36.590 14.457 1.00 24.39 H new TER 3200 PHE B 99 HETATM 3201 S DMS A 301 19.970 39.276 17.985 1.00 24.04 S ANISOU 3201 S DMS A 301 3802 2393 2938 78 -507 242 S HETATM 3202 O DMS A 301 19.013 39.553 16.934 1.00 14.19 O ANISOU 3202 O DMS A 301 2288 1271 1832 29 489 105 O HETATM 3203 C1 DMS A 301 19.579 37.598 18.522 1.00 16.70 C ANISOU 3203 C1 DMS A 301 2821 1686 1837 847 -740 -183 C HETATM 3204 C2 DMS A 301 21.530 38.879 17.223 1.00 31.15 C ANISOU 3204 C2 DMS A 301 2409 4384 5041 4 -875 1255 C HETATM 0 H23 DMS A 301 22.183 38.674 17.910 1.00 31.15 H new HETATM 0 H22 DMS A 301 21.420 38.110 16.642 1.00 31.15 H new HETATM 0 H21 DMS A 301 21.837 39.637 16.701 1.00 31.15 H new HETATM 0 H13 DMS A 301 20.223 37.313 19.189 1.00 16.70 H new HETATM 0 H12 DMS A 301 18.688 37.580 18.906 1.00 16.70 H new HETATM 0 H11 DMS A 301 19.615 36.998 17.761 1.00 16.70 H new HETATM 3205 S DMS A 302 22.282 38.838 12.274 1.00 33.55 S ANISOU 3205 S DMS A 302 3820 3900 5029 -1476 -1194 872 S HETATM 3206 O DMS A 302 21.165 38.326 11.494 1.00 15.27 O ANISOU 3206 O DMS A 302 2513 1372 1917 86 324 224 O HETATM 3207 C1 DMS A 302 23.582 37.627 12.092 1.00 77.77 C ANISOU 3207 C1 DMS A 302 5066 4482 20000 578 -6554 2288 C HETATM 3208 C2 DMS A 302 23.051 40.111 11.296 1.00 25.49 C ANISOU 3208 C2 DMS A 302 2627 3185 3873 -952 -219 -489 C HETATM 0 H23 DMS A 302 23.859 40.415 11.738 1.00 25.49 H new HETATM 0 H22 DMS A 302 23.276 39.756 10.422 1.00 25.49 H new HETATM 0 H21 DMS A 302 22.438 40.856 11.195 1.00 25.49 H new HETATM 0 H13 DMS A 302 24.095 37.577 12.913 1.00 77.77 H new HETATM 0 H12 DMS A 302 23.192 36.759 11.902 1.00 77.77 H new HETATM 0 H11 DMS A 302 24.166 37.886 11.362 1.00 77.77 H new HETATM 3209 S DMS A 303 7.612 27.910 -2.079 1.00 28.35 S ANISOU 3209 S DMS A 303 3829 4220 2724 385 -512 56 S HETATM 3210 O DMS A 303 8.900 28.483 -1.604 1.00 25.66 O ANISOU 3210 O DMS A 303 3280 4175 2294 1425 -864 -599 O HETATM 3211 C1 DMS A 303 6.765 29.322 -2.821 1.00 35.34 C ANISOU 3211 C1 DMS A 303 4844 5197 3386 1824 -2607 -1279 C HETATM 3212 C2 DMS A 303 8.034 27.148 -3.656 1.00 28.77 C ANISOU 3212 C2 DMS A 303 5255 3085 2590 288 -1218 -80 C HETATM 0 H23 DMS A 303 7.225 26.999 -4.170 1.00 28.77 H new HETATM 0 H22 DMS A 303 8.628 27.734 -4.150 1.00 28.77 H new HETATM 0 H21 DMS A 303 8.477 26.300 -3.497 1.00 28.77 H new HETATM 0 H13 DMS A 303 5.816 29.131 -2.889 1.00 35.34 H new HETATM 0 H12 DMS A 303 6.898 30.107 -2.267 1.00 35.34 H new HETATM 0 H11 DMS A 303 7.126 29.487 -3.706 1.00 35.34 H new HETATM 3213 S DMS A 310 4.277 37.052 5.257 1.00 45.50 S ANISOU 3213 S DMS A 310 4483 4421 8382 1582 1595 1968 S HETATM 3214 O DMS A 310 4.686 38.147 6.160 1.00 48.74 O ANISOU 3214 O DMS A 310 5624 7596 5299 -261 2548 1642 O HETATM 3215 C1 DMS A 310 2.517 36.845 5.657 1.00 37.37 C ANISOU 3215 C1 DMS A 310 4435 5216 4548 2001 1421 1143 C HETATM 3216 C2 DMS A 310 3.911 37.969 3.710 1.00 39.89 C ANISOU 3216 C2 DMS A 310 4680 5090 5385 1747 2807 73 C HETATM 0 H23 DMS A 310 3.436 37.389 3.095 1.00 39.89 H new HETATM 0 H22 DMS A 310 3.362 38.742 3.914 1.00 39.89 H new HETATM 0 H21 DMS A 310 4.741 38.261 3.302 1.00 39.89 H new HETATM 0 H13 DMS A 310 2.077 36.359 4.942 1.00 37.37 H new HETATM 0 H12 DMS A 310 2.430 36.349 6.486 1.00 37.37 H new HETATM 0 H11 DMS A 310 2.103 37.716 5.757 1.00 37.37 H new HETATM 3217 NA NA B 305 12.521 26.823 43.964 1.00 22.91 NA ANISOU 3217 NA NA B 305 3098 3624 1984 -299 124 -611 NA HETATM 3218 CL CL B 307 13.546 44.939 22.461 1.00 24.65 CL ANISOU 3218 CL CL B 307 3767 2177 3423 305 395 -342 CL HETATM 3219 C ACT B 308 0.998 21.337 24.334 0.50 18.67 C HETATM 3220 O ACT B 308 0.881 21.413 25.587 0.50 23.73 O HETATM 3221 OXT ACT B 308 2.109 21.620 23.799 0.50 22.69 O HETATM 3222 CH3 ACT B 308 -0.158 20.928 23.482 0.50 14.86 C ANISOU 3222 CH3 ACT B 308 1524 1657 2467 -284 794 71 C HETATM 0 H3 ACT B 308 -0.450 20.039 23.737 0.50 14.86 H new HETATM 0 H2 ACT B 308 -0.888 21.555 23.604 0.50 14.86 H new HETATM 0 H1 ACT B 308 0.112 20.924 22.550 0.50 14.86 H new HETATM 3223 C ACT B 309 14.939 3.771 39.595 1.00 52.44 C ANISOU 3223 C ACT B 309 6424 7695 5805 -445 -1426 305 C HETATM 3224 O ACT B 309 15.119 3.456 38.397 1.00 47.44 O ANISOU 3224 O ACT B 309 5544 6440 6041 138 -1735 -29 O HETATM 3225 OXT ACT B 309 15.884 3.608 40.419 1.00 49.27 O ANISOU 3225 OXT ACT B 309 6694 6716 5309 342 -1143 645 O HETATM 3226 CH3 ACT B 309 13.619 4.335 40.078 1.00 37.24 C ANISOU 3226 CH3 ACT B 309 6477 3669 4004 -990 -2156 261 C HETATM 0 H3 ACT B 309 13.425 5.158 39.603 1.00 37.24 H new HETATM 0 H2 ACT B 309 12.912 3.692 39.911 1.00 37.24 H new HETATM 0 H1 ACT B 309 13.673 4.516 41.029 1.00 37.24 H new HETATM 3227 C1 IPF B 400 9.754 15.647 17.523 1.00 14.98 C ANISOU 3227 C1 IPF B 400 1934 2006 1752 -6 429 410 C HETATM 3228 O1 IPF B 400 10.798 15.087 17.240 1.00 19.05 O ANISOU 3228 O1 IPF B 400 2329 2267 2643 311 952 437 O HETATM 3229 C2 IPF B 400 8.706 14.919 18.331 1.00 16.36 C ANISOU 3229 C2 IPF B 400 2317 1962 1939 -240 764 -41 C HETATM 3230 N1 IPF B 400 9.446 16.888 17.152 1.00 14.15 N ANISOU 3230 N1 IPF B 400 2277 1815 1284 0 372 -42 N HETATM 3231 C3 IPF B 400 10.391 17.796 16.565 1.00 14.29 C ANISOU 3231 C3 IPF B 400 2781 1630 1021 -81 511 -125 C HETATM 3232 C4 IPF B 400 9.720 18.645 15.463 1.00 20.72 C ANISOU 3232 C4 IPF B 400 3869 2725 1279 -472 -132 463 C HETATM 3233 C5 IPF B 400 9.469 17.830 14.222 1.00 29.91 C ANISOU 3233 C5 IPF B 400 4415 5881 1067 -1251 94 -356 C HETATM 3234 C6 IPF B 400 8.234 17.505 13.717 1.00 41.21 C ANISOU 3234 C6 IPF B 400 4572 8010 3078 -2086 344 -2256 C HETATM 3235 N2 IPF B 400 8.382 16.762 12.575 1.00 43.78 N ANISOU 3235 N2 IPF B 400 5087 8752 2794 -2520 436 -2371 N HETATM 3236 C7 IPF B 400 9.708 16.574 12.300 1.00 39.13 C ANISOU 3236 C7 IPF B 400 5249 7620 1997 -2531 725 -1684 C HETATM 3237 C8 IPF B 400 10.432 17.237 13.314 1.00 33.38 C ANISOU 3237 C8 IPF B 400 4740 5748 2196 -1318 247 -1363 C HETATM 3238 C9 IPF B 400 11.822 17.169 13.213 1.00 28.87 C ANISOU 3238 C9 IPF B 400 4759 5123 1087 -436 -58 -160 C HETATM 3239 C10 IPF B 400 12.459 16.487 12.177 1.00 30.75 C ANISOU 3239 C10 IPF B 400 5009 5697 976 -542 3 -370 C HETATM 3240 C11 IPF B 400 11.711 15.843 11.198 1.00 34.64 C ANISOU 3240 C11 IPF B 400 5589 5688 1886 -1919 608 -971 C HETATM 3241 C12 IPF B 400 10.347 15.891 11.262 1.00 39.21 C ANISOU 3241 C12 IPF B 400 5578 7105 2215 -2541 671 -1815 C HETATM 3242 C13 IPF B 400 10.970 18.745 17.607 1.00 12.95 C ANISOU 3242 C13 IPF B 400 2512 1239 1171 266 366 -48 C HETATM 3243 O13 IPF B 400 10.222 19.365 18.327 1.00 13.30 O ANISOU 3243 O13 IPF B 400 2022 1493 1539 220 168 -388 O HETATM 3244 N3 IPF B 400 12.292 18.793 17.599 1.00 12.80 N ANISOU 3244 N3 IPF B 400 2488 1101 1275 315 555 -315 N HETATM 3245 C14 IPF B 400 12.971 19.580 18.602 1.00 13.53 C ANISOU 3245 C14 IPF B 400 2548 1004 1588 556 203 -369 C HETATM 3246 C15 IPF B 400 13.567 18.733 19.725 1.00 12.86 C ANISOU 3246 C15 IPF B 400 1978 1221 1687 577 371 -212 C HETATM 3247 C16 IPF B 400 14.361 19.647 20.612 1.00 15.40 C ANISOU 3247 C16 IPF B 400 3196 1291 1363 438 142 -297 C HETATM 3248 C17 IPF B 400 12.433 18.018 20.472 1.00 16.02 C ANISOU 3248 C17 IPF B 400 2037 2374 1674 589 466 183 C HETATM 3249 C18 IPF B 400 14.042 20.416 17.903 1.00 15.11 C ANISOU 3249 C18 IPF B 400 2617 1436 1687 179 -411 106 C HETATM 3250 O18 IPF B 400 15.096 19.935 17.580 1.00 14.32 O ANISOU 3250 O18 IPF B 400 2429 1152 1860 -338 -198 -110 O HETATM 3251 N4 IPF B 400 13.661 21.672 17.716 1.00 16.85 N ANISOU 3251 N4 IPF B 400 3507 1613 1282 424 -95 362 N HETATM 3252 C19 IPF B 400 14.524 22.697 17.203 1.00 18.00 C ANISOU 3252 C19 IPF B 400 4322 1571 947 377 395 334 C HETATM 3253 C20 IPF B 400 13.832 23.355 16.030 1.00 16.89 C ANISOU 3253 C20 IPF B 400 3633 1535 1248 -270 -51 241 C HETATM 3254 C21 IPF B 400 13.642 22.373 14.914 1.00 14.53 C ANISOU 3254 C21 IPF B 400 2839 1294 1387 -340 265 246 C HETATM 3255 C22 IPF B 400 12.412 21.841 14.707 1.00 15.18 C ANISOU 3255 C22 IPF B 400 2658 1660 1449 -148 311 54 C HETATM 3256 C23 IPF B 400 12.218 20.913 13.681 1.00 17.08 C ANISOU 3256 C23 IPF B 400 2707 2026 1755 26 -32 -320 C HETATM 3257 C24 IPF B 400 13.263 20.595 12.855 1.00 17.47 C ANISOU 3257 C24 IPF B 400 3022 1876 1740 -164 249 -366 C HETATM 3258 C25 IPF B 400 14.519 21.122 13.068 1.00 19.34 C ANISOU 3258 C25 IPF B 400 2984 2630 1736 -349 446 -335 C HETATM 3259 C26 IPF B 400 14.714 22.019 14.107 1.00 18.39 C ANISOU 3259 C26 IPF B 400 2471 2759 1758 -199 34 -291 C HETATM 3260 C27 IPF B 400 14.672 23.610 18.379 1.00 16.47 C ANISOU 3260 C27 IPF B 400 3288 1782 1189 517 102 103 C HETATM 3261 O27 IPF B 400 13.527 24.464 18.562 1.00 15.71 O ANISOU 3261 O27 IPF B 400 2973 1476 1519 238 -285 -9 O HETATM 3262 N5 IPF B 400 18.126 24.345 17.973 1.00 19.11 N ANISOU 3262 N5 IPF B 400 2996 3036 1229 21 -569 549 N HETATM 3263 C28 IPF B 400 17.026 23.655 18.604 1.00 19.70 C ANISOU 3263 C28 IPF B 400 3308 2749 1427 337 -34 280 C HETATM 3264 C29 IPF B 400 17.391 23.585 20.078 1.00 21.70 C ANISOU 3264 C29 IPF B 400 4534 2556 1156 565 111 161 C HETATM 3265 C30 IPF B 400 18.291 24.705 20.328 1.00 20.13 C ANISOU 3265 C30 IPF B 400 3210 3118 1321 899 -44 -165 C HETATM 3266 C31 IPF B 400 18.763 25.176 19.020 1.00 19.90 C ANISOU 3266 C31 IPF B 400 3157 2902 1503 463 70 -324 C HETATM 3267 C32 IPF B 400 15.820 24.491 18.180 1.00 18.07 C ANISOU 3267 C32 IPF B 400 3225 2323 1316 453 416 11 C HETATM 3268 O32 IPF B 400 15.626 25.636 18.981 1.00 22.02 O ANISOU 3268 O32 IPF B 400 4380 1930 2056 -111 1034 -3 O HETATM 3269 N6 IPF B 400 20.526 25.269 16.554 1.00 13.98 N ANISOU 3269 N6 IPF B 400 1577 1595 2140 451 355 -192 N HETATM 3270 C33 IPF B 400 19.168 25.307 16.086 1.00 13.99 C ANISOU 3270 C33 IPF B 400 1700 1765 1852 551 285 -151 C HETATM 3271 C34 IPF B 400 19.109 25.320 14.563 1.00 14.76 C ANISOU 3271 C34 IPF B 400 2135 1658 1815 -162 378 -161 C HETATM 3272 C35 IPF B 400 17.668 25.387 14.089 1.00 19.84 C ANISOU 3272 C35 IPF B 400 2312 3464 1763 283 143 554 C HETATM 3273 C36 IPF B 400 19.871 26.534 14.046 1.00 21.70 C ANISOU 3273 C36 IPF B 400 4053 1895 2298 -943 983 -423 C HETATM 3274 C37 IPF B 400 18.440 24.131 16.707 1.00 17.33 C ANISOU 3274 C37 IPF B 400 2192 3109 1282 -662 -809 283 C HETATM 3275 O37 IPF B 400 18.287 23.190 15.970 1.00 22.33 O ANISOU 3275 O37 IPF B 400 3292 3604 1587 -2013 -95 -8 O HETATM 3276 N7 IPF B 400 23.288 27.209 17.017 1.00 18.88 N ANISOU 3276 N7 IPF B 400 2353 1372 3448 194 -123 -341 N HETATM 3277 C38 IPF B 400 22.476 26.163 17.594 1.00 16.25 C ANISOU 3277 C38 IPF B 400 2125 1527 2522 565 -451 127 C HETATM 3278 C39 IPF B 400 22.492 26.285 19.113 1.00 25.17 C ANISOU 3278 C39 IPF B 400 3721 3323 2519 618 -925 133 C HETATM 3279 C40 IPF B 400 23.895 26.041 19.560 1.00 30.95 C ANISOU 3279 C40 IPF B 400 4494 3246 4019 949 -2408 -877 C HETATM 3280 C41 IPF B 400 24.823 26.913 20.022 1.00 41.13 C ANISOU 3280 C41 IPF B 400 5561 3357 6709 1116 -3931 -1625 C HETATM 3281 N8 IPF B 400 26.001 26.262 20.319 1.00 45.95 N ANISOU 3281 N8 IPF B 400 5452 3872 8136 1297 -4433 -2659 N HETATM 3282 C42 IPF B 400 25.832 24.935 20.035 1.00 40.14 C ANISOU 3282 C42 IPF B 400 4830 3677 6744 1185 -3698 -1982 C HETATM 3283 C43 IPF B 400 24.516 24.750 19.548 1.00 30.16 C ANISOU 3283 C43 IPF B 400 3479 3238 4744 671 -1364 -1166 C HETATM 3284 C44 IPF B 400 24.045 23.496 19.167 1.00 24.18 C ANISOU 3284 C44 IPF B 400 3713 2718 2755 -3 -1130 661 C HETATM 3285 C45 IPF B 400 24.928 22.429 19.291 1.00 25.07 C ANISOU 3285 C45 IPF B 400 3378 2675 3471 -111 -1091 257 C HETATM 3286 C46 IPF B 400 26.229 22.628 19.774 1.00 32.84 C ANISOU 3286 C46 IPF B 400 4096 2859 5522 -58 -2485 302 C HETATM 3287 C47 IPF B 400 26.682 23.859 20.147 1.00 39.18 C ANISOU 3287 C47 IPF B 400 4714 3309 6864 685 -3971 -1066 C HETATM 3288 C48 IPF B 400 21.079 26.349 17.084 1.00 14.60 C ANISOU 3288 C48 IPF B 400 1996 1290 2261 617 -131 37 C HETATM 3289 O48 IPF B 400 20.475 27.404 17.208 1.00 16.98 O ANISOU 3289 O48 IPF B 400 1750 1511 3189 571 38 -259 O HETATM 3290 C49 IPF B 400 24.102 26.978 15.991 1.00 18.35 C ANISOU 3290 C49 IPF B 400 2900 1730 2344 12 -369 -49 C HETATM 3291 O49 IPF B 400 24.276 25.875 15.503 1.00 21.67 O ANISOU 3291 O49 IPF B 400 4274 1894 2068 -312 477 -193 O HETATM 3292 C50 IPF B 400 24.818 28.189 15.492 1.00 21.07 C ANISOU 3292 C50 IPF B 400 3912 1877 2218 -273 -412 76 C HETATM 0 H503 IPF B 400 24.171 28.849 15.198 1.00 21.07 H new HETATM 0 H502 IPF B 400 25.359 28.562 16.205 1.00 21.07 H new HETATM 0 H501 IPF B 400 25.390 27.943 14.748 1.00 21.07 H new HETATM 0 H41A IPF B 400 10.285 19.403 15.246 1.00 20.72 H new HETATM 0 H392 IPF B 400 22.193 27.165 19.389 1.00 25.17 H new HETATM 0 H391 IPF B 400 21.888 25.641 19.515 1.00 25.17 H new HETATM 0 H363 IPF B 400 19.466 27.343 14.395 1.00 21.70 H new HETATM 0 H362 IPF B 400 20.795 26.484 14.336 1.00 21.70 H new HETATM 0 H361 IPF B 400 19.838 26.549 13.077 1.00 21.70 H new HETATM 0 H353 IPF B 400 17.183 24.614 14.417 1.00 19.84 H new HETATM 0 H352 IPF B 400 17.253 26.196 14.428 1.00 19.84 H new HETATM 0 H351 IPF B 400 17.646 25.395 13.119 1.00 19.84 H new HETATM 0 H312 IPF B 400 19.729 25.109 18.964 1.00 19.90 H new HETATM 0 H311 IPF B 400 18.536 26.111 18.895 1.00 19.90 H new HETATM 0 H302 IPF B 400 17.832 25.415 20.803 1.00 20.13 H new HETATM 0 H301 IPF B 400 19.037 24.429 20.883 1.00 20.13 H new HETATM 0 H292 IPF B 400 16.599 23.646 20.634 1.00 21.70 H new HETATM 0 H291 IPF B 400 17.821 22.741 20.289 1.00 21.70 H new HETATM 0 H23A IPF B 400 8.424 14.123 17.854 1.00 16.36 H new HETATM 0 H22A IPF B 400 9.078 14.666 19.190 1.00 16.36 H new HETATM 0 H202 IPF B 400 12.972 23.705 16.310 1.00 16.89 H new HETATM 0 H201 IPF B 400 14.357 24.109 15.719 1.00 16.89 H new HETATM 0 H173 IPF B 400 11.827 18.676 20.847 1.00 16.02 H new HETATM 0 H172 IPF B 400 11.949 17.447 19.855 1.00 16.02 H new HETATM 0 H171 IPF B 400 12.806 17.478 21.187 1.00 16.02 H new HETATM 0 H163 IPF B 400 15.066 20.067 20.095 1.00 15.40 H new HETATM 0 H162 IPF B 400 13.778 20.330 20.978 1.00 15.40 H new HETATM 0 H161 IPF B 400 14.753 19.135 21.337 1.00 15.40 H new HETATM 0 HN8 IPF B 400 26.716 26.626 20.628 1.00 45.95 H new HETATM 0 HN7 IPF B 400 23.244 28.002 17.346 1.00 18.88 H new HETATM 0 HN6 IPF B 400 20.981 24.542 16.490 1.00 13.98 H new HETATM 0 HN4 IPF B 400 12.851 21.884 17.913 1.00 16.85 H new HETATM 0 HN3 IPF B 400 12.741 18.362 17.005 1.00 12.80 H new HETATM 0 HN2 IPF B 400 7.733 16.458 12.099 1.00 43.78 H new HETATM 0 HN1 IPF B 400 8.639 17.160 17.270 1.00 14.15 H new HETATM 0 H9 IPF B 400 12.363 17.611 13.886 1.00 28.87 H new HETATM 0 H6 IPF B 400 7.385 17.762 14.109 1.00 41.21 H new HETATM 0 H47 IPF B 400 27.584 23.974 20.484 1.00 39.18 H new HETATM 0 H46 IPF B 400 26.825 21.866 19.845 1.00 32.84 H new HETATM 0 H45 IPF B 400 24.641 21.537 19.041 1.00 25.07 H new HETATM 0 H44 IPF B 400 23.143 23.373 18.831 1.00 24.18 H new HETATM 0 H42 IPF B 400 8.881 19.002 15.793 1.00 20.72 H new HETATM 0 H41 IPF B 400 24.678 27.866 20.129 1.00 41.13 H new HETATM 0 H38 IPF B 400 22.815 25.287 17.352 1.00 16.25 H new HETATM 0 H34 IPF B 400 19.511 24.505 14.223 1.00 14.76 H new HETATM 0 H33 IPF B 400 18.728 26.127 16.359 1.00 13.99 H new HETATM 0 H32 IPF B 400 15.944 24.805 17.271 1.00 18.07 H new HETATM 0 H3 IPF B 400 11.103 17.256 16.186 1.00 14.29 H new HETATM 0 H28 IPF B 400 16.827 22.736 18.365 1.00 19.70 H new HETATM 0 H27 IPF B 400 13.745 25.131 19.024 1.00 15.71 H new HETATM 0 H26 IPF B 400 15.593 22.396 14.269 1.00 18.39 H new HETATM 0 H25 IPF B 400 15.260 20.867 12.496 1.00 19.34 H new HETATM 0 H24 IPF B 400 13.118 19.991 12.110 1.00 17.47 H new HETATM 0 H23 IPF B 400 11.351 20.497 13.555 1.00 17.08 H new HETATM 0 H22 IPF B 400 11.668 22.104 15.271 1.00 15.18 H new HETATM 0 H21 IPF B 400 7.942 15.500 18.469 1.00 16.36 H new HETATM 0 H2 IPF B 400 15.215 26.221 18.539 1.00 22.02 H new HETATM 0 H19 IPF B 400 15.386 22.400 16.872 1.00 18.00 H new HETATM 0 H15 IPF B 400 14.160 18.044 19.386 1.00 12.86 H new HETATM 0 H14 IPF B 400 12.323 20.156 19.037 1.00 13.53 H new HETATM 0 H12 IPF B 400 9.818 15.447 10.581 1.00 39.21 H new HETATM 0 H11 IPF B 400 12.152 15.365 10.478 1.00 34.64 H new HETATM 0 H10 IPF B 400 13.428 16.462 12.139 1.00 30.75 H new HETATM 0 H1 IPF B 400 14.778 23.038 19.155 1.00 16.47 H new HETATM 3357 S DMS B 306 19.259 6.379 25.745 1.00 39.28 S ANISOU 3357 S DMS B 306 4503 3235 7186 -436 572 581 S HETATM 3358 O DMS B 306 18.968 5.773 27.045 1.00 47.48 O ANISOU 3358 O DMS B 306 3626 4433 9982 1269 2257 3445 O HETATM 3359 C1 DMS B 306 17.721 6.264 24.828 1.00 66.99 C ANISOU 3359 C1 DMS B 306 4450 16831 4174 -6089 2423 -3392 C HETATM 3360 C2 DMS B 306 19.162 8.160 26.025 1.00 36.13 C ANISOU 3360 C2 DMS B 306 2747 3026 7954 -583 1670 1085 C HETATM 0 H23 DMS B 306 19.527 8.629 25.258 1.00 36.13 H new HETATM 0 H22 DMS B 306 18.235 8.418 26.150 1.00 36.13 H new HETATM 0 H21 DMS B 306 19.671 8.391 26.817 1.00 36.13 H new HETATM 0 H13 DMS B 306 17.854 5.714 24.040 1.00 66.99 H new HETATM 0 H12 DMS B 306 17.038 5.865 25.390 1.00 66.99 H new HETATM 0 H11 DMS B 306 17.438 7.152 24.558 1.00 66.99 H new HETATM 3361 C1 AGOL B 304 14.899 28.542 40.867 0.50 27.64 C HETATM 3362 C1 BGOL B 304 13.969 26.784 39.099 0.50 12.80 C HETATM 3363 O1 AGOL B 304 13.950 29.494 41.312 0.50 19.49 O HETATM 3364 O1 BGOL B 304 13.171 27.409 38.071 0.50 10.83 O HETATM 3365 C2 AGOL B 304 14.649 28.143 39.420 0.50 23.74 C HETATM 3366 C2 BGOL B 304 13.803 27.617 40.398 0.50 14.72 C HETATM 3367 O2 AGOL B 304 14.289 29.294 38.643 0.50 31.01 O HETATM 3368 O2 BGOL B 304 12.417 27.677 40.751 0.50 14.45 O HETATM 3369 C3 AGOL B 304 13.531 27.089 39.335 0.50 21.95 C HETATM 3370 C3 BGOL B 304 14.324 29.038 40.115 0.50 12.78 C HETATM 3371 O3 AGOL B 304 13.002 27.070 38.002 0.50 38.08 O HETATM 3372 O3 BGOL B 304 14.699 29.674 41.337 0.50 11.05 O HETATM 0 HO3AGOL B 304 13.624 27.198 37.452 0.50 11.05 H new HETATM 0 HO3BGOL B 304 14.983 30.448 41.175 0.50 11.05 H new HETATM 0 HO2AGOL B 304 13.665 29.094 38.118 0.50 14.45 H new HETATM 0 HO2BGOL B 304 12.226 27.027 41.247 0.50 14.45 H new HETATM 0 HO1AGOL B 304 14.109 29.696 42.112 0.50 10.83 H new HETATM 0 HO1BGOL B 304 13.606 27.430 37.353 0.50 10.83 H new HETATM 0 H32AGOL B 304 13.878 26.214 39.570 0.50 12.78 H new HETATM 0 H32BGOL B 304 15.086 28.998 39.516 0.50 12.78 H new HETATM 0 H31AGOL B 304 12.828 27.295 39.971 0.50 12.78 H new HETATM 0 H31BGOL B 304 13.639 29.559 39.668 0.50 12.78 H new HETATM 0 H2 AGOL B 304 15.467 27.761 39.064 0.50 14.72 H new HETATM 0 H2 BGOL B 304 14.297 27.213 41.129 0.50 14.72 H new HETATM 0 H12AGOL B 304 15.793 28.909 40.953 0.50 12.80 H new HETATM 0 H12BGOL B 304 13.682 25.869 39.243 0.50 12.80 H new HETATM 0 H11AGOL B 304 14.860 27.755 41.433 0.50 12.80 H new HETATM 0 H11BGOL B 304 14.901 26.751 38.833 0.50 12.80 H new HETATM 3373 O HOH A 311 15.309 44.205 10.894 1.00 14.74 O HETATM 3374 O HOH A 312 12.866 42.537 20.374 1.00 14.80 O HETATM 3375 O HOH A 313 20.610 33.202 10.732 1.00 13.43 O HETATM 3376 O HOH A 314 13.163 40.021 21.397 1.00 14.48 O HETATM 3377 O HOH A 315 16.137 21.778 1.345 1.00 14.31 O HETATM 3378 O HOH A 316 -1.679 27.296 20.079 1.00 18.59 O HETATM 3379 O HOH A 317 22.940 39.995 7.894 1.00 18.92 O HETATM 3380 O HOH A 318 12.694 45.119 11.686 1.00 20.83 O HETATM 3381 O HOH A 319 20.658 21.042 0.837 1.00 22.52 O HETATM 3382 O HOH A 320 19.854 28.368 21.036 1.00 21.65 O HETATM 3383 O HOH A 321 8.679 24.481 7.288 1.00 20.70 O HETATM 3384 O HOH A 322 5.144 32.112 -3.275 1.00 21.88 O HETATM 3385 O HOH A 323 23.947 31.827 -4.146 1.00 24.98 O HETATM 3386 O HOH A 324 21.851 15.264 19.229 1.00 28.00 O HETATM 3387 O HOH A 325 24.815 18.718 5.824 1.00 21.90 O HETATM 3388 O HOH A 326 24.179 20.370 3.531 1.00 29.12 O HETATM 3389 O HOH A 327 14.947 20.810 3.555 1.00 19.73 O HETATM 3390 O HOH A 328 1.497 28.190 18.103 1.00 22.87 O HETATM 3391 O HOH A 329 6.696 41.592 22.498 1.00 19.53 O HETATM 3392 O HOH A 330 25.205 37.722 1.599 1.00 26.66 O HETATM 3393 O HOH A 331 21.554 26.972 22.816 1.00 31.84 O HETATM 3394 O HOH A 332 2.453 32.281 33.758 1.00 25.88 O HETATM 3395 O HOH A 333 23.691 34.377 -4.465 1.00 22.59 O HETATM 3396 O HOH A 334 6.908 26.089 3.309 1.00 25.24 O HETATM 3397 O HOH A 335 16.634 40.338 0.684 1.00 24.96 O HETATM 3398 O HOH A 336 1.143 33.697 9.337 1.00 22.54 O HETATM 3399 O HOH A 337 29.708 33.485 -2.437 1.00 27.67 O HETATM 3400 O HOH A 338 21.341 35.181 17.087 1.00 27.74 O HETATM 3401 O HOH A 339 25.140 23.548 1.368 1.00 32.74 O HETATM 3402 O HOH A 340 22.920 24.626 1.339 1.00 30.51 O HETATM 3403 O HOH A 341 4.652 21.121 11.573 1.00 48.97 O HETATM 3404 O HOH A 342 7.901 44.265 13.473 1.00 31.65 O HETATM 3405 O HOH A 343 24.727 32.688 15.165 1.00 34.66 O HETATM 3406 O HOH A 344 0.767 36.291 7.757 1.00 47.47 O HETATM 3407 O HOH A 345 26.364 15.551 12.855 0.50 17.98 O HETATM 3408 O HOH A 346 19.535 17.253 6.628 1.00 28.99 O HETATM 3409 O HOH A 347 -2.093 31.244 18.643 1.00 28.50 O HETATM 3410 O HOH A 348 6.890 45.430 8.419 1.00 34.25 O HETATM 3411 O HOH A 349 26.501 40.013 -0.838 1.00 37.73 O HETATM 3412 O HOH A 350 8.060 25.303 1.125 1.00 36.51 O HETATM 3413 O HOH A 351 22.422 34.379 12.752 1.00 28.75 O HETATM 3414 O HOH A 352 1.554 38.821 12.744 1.00 32.22 O HETATM 3415 O HOH A 353 -4.000 29.401 26.207 1.00 42.60 O HETATM 3416 O HOH A 354 14.054 38.231 0.596 1.00 19.81 O HETATM 3417 O HOH A 355 32.958 29.399 6.411 1.00 18.61 O HETATM 3418 O HOH A 356 22.660 19.624 1.462 1.00 27.79 O HETATM 3419 O HOH A 357 16.333 38.235 -0.726 1.00 25.43 O HETATM 3420 O HOH A 358 34.525 30.297 4.375 1.00 29.17 O HETATM 3421 O HOH A 359 6.206 43.715 16.701 1.00 41.59 O HETATM 3422 O HOH A 360 22.464 16.868 5.762 1.00 34.65 O HETATM 3423 O HOH A 361 9.628 45.684 15.659 1.00 35.89 O HETATM 3424 O HOH A 362 6.546 31.804 -5.681 1.00 33.71 O HETATM 3425 O HOH A 363 0.243 28.978 15.987 1.00 34.01 O HETATM 3426 O HOH A 364 23.971 15.107 11.058 1.00 38.24 O HETATM 3427 O HOH A 365 15.800 35.711 -4.421 1.00 40.54 O HETATM 3428 O HOH A 366 -3.282 37.389 18.832 1.00 30.96 O HETATM 3429 O HOH A 367 6.915 21.425 11.795 1.00 40.05 O HETATM 3430 O HOH A 368 22.432 35.840 19.652 0.50 22.86 O HETATM 3431 O HOH A 369 20.839 29.453 -6.211 1.00 38.69 O HETATM 3432 O HOH A 370 21.350 30.989 -4.176 1.00 33.65 O HETATM 3433 O HOH A 371 0.285 28.123 13.478 1.00 31.39 O HETATM 3434 O HOH A 372 25.968 37.296 10.684 1.00 37.54 O HETATM 3435 O HOH A 373 18.046 30.544 21.508 0.50 9.20 O HETATM 3436 O HOH A 374 25.632 41.269 8.188 1.00 41.93 O HETATM 3437 O HOH A 375 18.023 34.945 -5.728 1.00 35.71 O HETATM 3438 O HOH A 376 6.988 23.158 8.112 1.00 50.80 O HETATM 3439 O HOH A 377 12.079 22.650 5.560 1.00 43.68 O HETATM 3440 O HOH A 378 8.860 44.791 10.852 1.00 49.70 O HETATM 3441 O HOH A 379 15.608 38.148 -3.286 1.00 38.65 O HETATM 3442 O HOH A 380 0.493 24.380 9.091 1.00 46.12 O HETATM 3443 O HOH A 381 31.796 30.157 -0.573 1.00 38.74 O HETATM 3444 O HOH A 382 25.429 30.837 17.688 1.00 36.74 O HETATM 3445 O HOH A 383 3.926 35.245 35.836 1.00 37.46 O HETATM 3446 O HOH A 384 34.384 28.623 1.584 1.00 53.74 O HETATM 3447 O HOH A 385 12.267 21.126 2.511 1.00 39.97 O HETATM 3448 O HOH A 386 26.158 30.591 -5.908 0.50 31.79 O HETATM 3449 O HOH A 387 22.897 38.833 0.437 1.00 35.97 O HETATM 3450 O HOH A 388 7.572 41.224 1.554 1.00 42.52 O HETATM 3451 O HOH A 389 -5.201 29.072 28.398 1.00 39.73 O HETATM 3452 O HOH A 390 27.493 33.816 -4.988 0.50 27.45 O HETATM 3453 O HOH A 391 25.140 34.758 11.917 0.50 19.48 O HETATM 3454 O HOH A 392 14.201 33.279 -4.534 1.00 32.13 O HETATM 3455 O HOH A 393 22.645 37.381 -6.640 1.00 47.67 O HETATM 3456 O HOH A 394 27.708 25.171 2.414 0.50 24.34 O HETATM 3457 O HOH A 395 19.260 43.778 1.271 0.50 36.11 O HETATM 3458 O HOH A 396 -4.731 32.163 25.940 1.00 42.02 O HETATM 3459 O HOH A 397 -2.593 34.205 17.203 1.00 47.50 O HETATM 3460 O HOH A 398 23.901 26.827 -4.373 0.50 28.85 O HETATM 3461 O HOH A 399 3.124 38.261 31.126 1.00 38.13 O HETATM 3462 O HOH A 400 5.692 45.011 5.730 0.50 34.39 O HETATM 3463 O HOH A 401 0.867 40.418 5.514 0.50 36.50 O HETATM 3464 O HOH A 402 20.607 40.991 0.192 0.50 27.23 O HETATM 3465 O HOH A 403 15.474 18.024 3.785 0.50 28.73 O HETATM 3466 O HOH A 404 5.643 46.074 16.098 1.00 44.15 O HETATM 3467 O HOH A 405 4.651 35.451 -3.355 1.00 51.93 O HETATM 3468 O HOH A 406 6.425 43.970 19.262 1.00 41.74 O HETATM 3469 O HOH A 407 1.440 21.622 16.137 1.00 25.73 O HETATM 3470 O HOH A 408 21.824 16.683 2.869 1.00 34.12 O HETATM 3471 O HOH A 409 27.823 30.550 15.136 1.00 44.31 O HETATM 3472 O HOH A 410 19.391 16.124 2.622 1.00 52.27 O HETATM 3473 O HOH A 411 28.882 37.949 7.623 0.50 27.14 O HETATM 3474 O HOH A 412 3.145 44.664 10.100 0.50 40.27 O HETATM 3475 O HOH A 413 3.873 42.220 22.182 0.50 23.85 O HETATM 3476 O HOH A 414 17.424 45.890 2.412 0.50 41.73 O HETATM 3477 O HOH A 415 4.855 34.601 -6.854 1.00 39.70 O HETATM 3478 O HOH A 416 0.564 24.944 13.989 1.00 27.06 O HETATM 3479 O HOH A 417 4.457 39.843 30.132 1.00 51.03 O HETATM 3480 O HOH A 418 0.125 32.103 14.169 0.50 28.66 O HETATM 3481 O HOH A 419 1.362 30.644 14.627 0.50 24.64 O HETATM 3482 O HOH A 420 19.391 30.582 20.951 0.50 19.80 O HETATM 3483 O HOH A 421 1.153 31.009 1.948 1.00 50.95 O HETATM 3484 O HOH A 422 2.893 29.807 2.848 1.00 54.28 O HETATM 3485 O HOH A 423 -4.036 34.117 23.410 0.50 24.71 O HETATM 3486 O HOH A 424 26.451 33.088 11.056 1.00 37.25 O HETATM 3487 O HOH A 425 2.774 30.718 -2.848 1.00 47.79 O HETATM 3488 O HOH A 426 27.757 31.697 19.209 1.00 62.00 O HETATM 3489 O HOH A 427 29.431 35.663 10.132 1.00 45.95 O HETATM 3490 O HOH A 428 29.908 30.617 14.146 1.00 56.85 O HETATM 3491 O HOH A 429 28.950 27.309 14.535 1.00 26.39 O HETATM 3492 O HOH A 430 37.228 28.664 3.866 0.50 36.30 O HETATM 3493 O HOH A 431 23.401 34.804 -10.269 0.50 46.08 O HETATM 3494 O HOH A 432 9.734 43.949 22.847 0.50 30.30 O HETATM 3495 O HOH A 433 18.372 47.696 4.395 1.00 56.78 O HETATM 3496 O HOH A 434 28.171 40.166 4.727 1.00 42.40 O HETATM 3497 O HOH A 435 8.592 23.391 4.497 1.00 40.02 O HETATM 3498 O HOH A 436 27.272 15.096 11.660 0.50 26.06 O HETATM 3499 O HOH A 437 -3.915 35.197 27.428 0.50 45.18 O HETATM 3500 O HOH A 438 0.713 36.110 13.621 0.50 35.69 O HETATM 3501 O HOH A 439 0.292 34.358 11.884 0.50 27.30 O HETATM 3502 O HOH A 440 31.826 26.805 0.355 1.00 56.76 O HETATM 3503 O HOH A 441 -5.448 36.111 21.484 1.00 51.42 O HETATM 3504 O HOH A 442 -0.795 40.662 19.975 0.50 31.73 O HETATM 3505 O HOH A 443 -1.804 43.229 21.299 0.50 34.01 O HETATM 3506 O HOH A 444 -3.938 33.924 21.433 0.50 21.97 O HETATM 3507 O HOH B 401 8.783 16.258 26.719 1.00 12.22 O HETATM 3508 O HOH B 402 4.059 16.932 29.240 1.00 12.14 O HETATM 3509 O HOH B 403 8.450 21.905 16.744 1.00 12.35 O HETATM 3510 O HOH B 404 7.080 23.912 18.152 1.00 11.27 O HETATM 3511 O HOH B 405 3.704 13.645 31.750 1.00 15.50 O HETATM 3512 O HOH B 406 1.607 15.633 34.852 1.00 14.21 O HETATM 3513 O HOH B 407 11.938 16.337 39.883 1.00 15.72 O HETATM 3514 O HOH B 408 18.060 20.001 46.417 1.00 15.46 O HETATM 3515 O HOH B 409 2.299 18.995 29.387 1.00 18.23 O HETATM 3516 O HOH B 410 9.322 13.869 39.546 1.00 22.31 O HETATM 3517 O HOH B 411 16.622 35.745 26.227 1.00 17.67 O HETATM 3518 O HOH B 412 21.312 34.115 27.803 1.00 20.72 O HETATM 3519 O HOH B 413 17.504 39.226 25.631 1.00 16.70 O HETATM 3520 O HOH B 414 1.442 34.580 28.326 1.00 22.23 O HETATM 3521 O HOH B 415 0.478 40.111 22.568 1.00 31.99 O HETATM 3522 O HOH B 416 17.525 20.510 16.351 1.00 20.34 O HETATM 3523 O HOH B 417 8.857 7.672 19.004 1.00 23.64 O HETATM 3524 O HOH B 418 15.812 5.359 34.488 1.00 22.54 O HETATM 3525 O HOH B 419 8.099 1.496 30.220 1.00 31.69 O HETATM 3526 O HOH B 420 22.955 34.316 24.238 0.50 17.47 O HETATM 3527 O HOH B 421 13.372 5.138 20.423 1.00 24.84 O HETATM 3528 O HOH B 422 11.360 20.655 40.965 1.00 25.58 O HETATM 3529 O HOH B 423 12.992 19.225 42.186 1.00 23.47 O HETATM 3530 O HOH B 424 15.456 31.602 35.716 1.00 25.39 O HETATM 3531 O HOH B 425 24.121 16.110 26.224 1.00 26.49 O HETATM 3532 O HOH B 426 21.548 22.161 42.383 1.00 28.02 O HETATM 3533 O HOH B 427 20.169 8.077 19.312 1.00 32.73 O HETATM 3534 O HOH B 428 6.390 15.647 25.604 1.00 23.39 O HETATM 3535 O HOH B 429 7.773 7.801 33.683 1.00 29.59 O HETATM 3536 O HOH B 430 14.425 5.522 22.988 1.00 21.46 O HETATM 3537 O HOH B 431 14.660 39.479 28.690 1.00 25.24 O HETATM 3538 O HOH B 432 22.836 23.198 33.484 1.00 27.60 O HETATM 3539 O HOH B 433 7.063 4.433 36.559 0.50 19.58 O HETATM 3540 O HOH B 434 17.075 35.830 28.674 1.00 29.32 O HETATM 3541 O HOH B 435 16.169 12.490 40.207 0.50 27.26 O HETATM 3542 O HOH B 436 0.422 21.179 26.353 0.50 18.05 O HETATM 3543 O HOH B 437 3.044 13.443 27.316 1.00 40.83 O HETATM 3544 O HOH B 438 21.527 23.773 29.097 0.50 18.26 O HETATM 3545 O HOH B 439 2.819 28.927 36.211 1.00 28.93 O HETATM 3546 O HOH B 440 2.796 8.632 28.054 1.00 42.92 O HETATM 3547 O HOH B 441 6.415 12.587 24.353 1.00 29.56 O HETATM 3548 O HOH B 442 14.213 5.455 36.659 1.00 23.85 O HETATM 3549 O HOH B 443 6.544 21.705 40.068 1.00 32.05 O HETATM 3550 O HOH B 444 19.310 16.524 44.688 1.00 39.28 O HETATM 3551 O HOH B 445 10.525 5.138 19.797 1.00 35.08 O HETATM 3552 O HOH B 446 22.920 15.642 34.962 1.00 32.26 O HETATM 3553 O HOH B 447 8.464 21.326 13.642 1.00 32.23 O HETATM 3554 O HOH B 448 3.864 15.801 26.707 1.00 27.46 O HETATM 3555 O HOH B 449 4.112 18.866 22.675 1.00 27.74 O HETATM 3556 O HOH B 450 23.588 13.984 27.840 1.00 27.64 O HETATM 3557 O HOH B 451 2.937 26.315 36.177 1.00 33.32 O HETATM 3558 O HOH B 452 10.199 33.725 36.037 1.00 29.52 O HETATM 3559 O HOH B 453 12.057 13.715 39.428 1.00 25.19 O HETATM 3560 O HOH B 454 19.184 41.147 26.179 1.00 33.25 O HETATM 3561 O HOH B 455 17.305 38.364 27.988 1.00 36.26 O HETATM 3562 O HOH B 456 11.479 16.367 42.693 1.00 38.22 O HETATM 3563 O HOH B 457 24.719 29.326 26.070 1.00 33.91 O HETATM 3564 O HOH B 458 20.209 8.550 21.886 1.00 37.05 O HETATM 3565 O HOH B 459 7.658 34.818 37.229 1.00 38.93 O HETATM 3566 O HOH B 460 20.956 13.089 38.080 0.50 23.61 O HETATM 3567 O HOH B 461 22.951 25.808 28.571 1.00 35.95 O HETATM 3568 O HOH B 462 17.568 7.593 35.143 1.00 39.71 O HETATM 3569 O HOH B 463 7.052 7.853 23.689 0.50 23.33 O HETATM 3570 O HOH B 464 26.960 14.060 28.130 1.00 45.99 O HETATM 3571 O HOH B 465 12.978 19.998 45.459 0.50 22.67 O HETATM 3572 O HOH B 466 4.451 27.666 40.379 1.00 29.25 O HETATM 3573 O HOH B 467 10.599 24.605 44.978 1.00 25.08 O HETATM 3574 O HOH B 468 22.066 9.015 34.556 1.00 46.00 O HETATM 3575 O HOH B 469 15.827 34.262 30.100 1.00 41.97 O HETATM 3576 O HOH B 470 14.532 33.943 34.479 0.50 29.78 O HETATM 3577 O HOH B 471 26.230 21.730 24.196 1.00 55.42 O HETATM 3578 O HOH B 472 8.540 9.545 35.909 0.50 40.92 O HETATM 3579 O HOH B 473 7.211 6.935 30.814 1.00 32.42 O HETATM 3580 O HOH B 474 4.335 20.688 41.085 1.00 39.06 O HETATM 3581 O HOH B 475 20.891 28.284 34.744 1.00 47.61 O HETATM 3582 O HOH B 476 2.241 22.373 39.174 1.00 35.84 O HETATM 3583 O HOH B 477 2.524 17.406 24.773 1.00 39.51 O HETATM 3584 O HOH B 478 0.000 42.478 13.891 0.50 29.09 O HETATM 3585 O HOH B 479 19.277 3.480 27.826 1.00 36.42 O HETATM 3586 O HOH B 480 21.391 12.358 10.455 1.00 50.50 O HETATM 3587 O HOH B 481 7.109 4.653 23.380 1.00 46.81 O HETATM 3588 O HOH B 482 11.337 43.232 28.802 0.50 33.13 O HETATM 3589 O HOH B 483 5.130 16.048 18.788 1.00 25.81 O HETATM 3590 O HOH B 484 22.259 19.492 32.432 1.00 25.66 O HETATM 3591 O HOH B 485 8.307 11.082 18.359 1.00 44.43 O HETATM 3592 O HOH B 486 13.775 21.453 46.132 0.50 16.89 O HETATM 3593 O HOH B 487 8.748 21.981 42.573 1.00 45.39 O HETATM 3594 O HOH B 488 4.185 41.605 25.257 0.50 28.23 O HETATM 3595 O HOH B 489 24.359 11.702 26.177 1.00 41.27 O HETATM 3596 O HOH B 490 21.328 19.931 43.965 1.00 37.50 O HETATM 3597 O HOH B 491 21.575 43.722 21.610 1.00 44.90 O HETATM 3598 O HOH B 492 8.369 3.639 20.606 1.00 45.68 O HETATM 3599 O HOH B 493 16.227 15.266 9.263 0.50 40.27 O HETATM 3600 O HOH B 494 2.207 43.712 16.235 1.00 39.37 O HETATM 3601 O HOH B 495 22.215 9.924 26.392 1.00 42.12 O HETATM 3602 O HOH B 496 21.784 26.442 36.930 1.00 37.64 O HETATM 3603 O HOH B 497 6.352 40.099 32.491 1.00 46.54 O HETATM 3604 O HOH B 498 15.517 15.306 11.517 1.00 47.22 O HETATM 3605 O HOH B 499 0.746 33.226 31.691 1.00 42.95 O HETATM 3606 O HOH B 500 19.835 31.990 33.843 1.00 58.57 O HETATM 3607 O HOH B 501 6.108 -0.752 25.101 0.50 44.89 O HETATM 3608 O HOH B 502 16.013 9.854 40.959 1.00 52.14 O HETATM 3609 O HOH B 503 0.761 28.811 25.337 1.00 17.77 O HETATM 3610 O HOH B 504 -1.250 29.368 26.944 1.00 29.08 O HETATM 3611 O HOH B 505 2.126 20.026 21.157 0.50 21.12 O HETATM 3612 O HOH B 506 1.869 20.023 18.909 0.50 31.13 O HETATM 3613 O HOH B 507 6.001 1.289 31.580 0.50 38.18 O HETATM 3614 O HOH B 508 18.174 7.251 15.923 0.50 34.31 O HETATM 3615 O HOH B 509 24.667 32.177 30.405 0.50 44.95 O HETATM 3616 O HOH B 510 4.847 15.571 12.155 0.50 37.27 O HETATM 3617 O HOH B 511 25.290 17.028 34.630 1.00 47.08 O HETATM 3618 O HOH B 512 22.190 12.682 37.924 0.50 27.38 O HETATM 3619 O HOH B 513 22.251 22.439 28.382 0.50 21.49 O HETATM 3620 O HOH B 514 5.009 16.031 21.734 0.50 25.55 O HETATM 3621 O HOH B 515 5.985 14.841 20.545 0.50 23.06 O HETATM 3622 O HOH B 516 15.953 43.424 26.182 0.50 26.92 O HETATM 3623 O HOH B 517 13.852 2.453 20.503 0.50 18.80 O HETATM 3624 O HOH B 518 19.350 10.463 12.136 1.00 49.70 O HETATM 3625 O HOH B 519 28.120 28.203 22.171 1.00 53.12 O HETATM 3626 O HOH B 520 4.599 0.203 34.265 0.50 44.58 O HETATM 3627 O HOH B 521 13.600 14.828 43.516 0.50 26.80 O HETATM 3628 O HOH B 522 17.236 17.478 47.231 1.00 40.41 O HETATM 3629 O HOH B 523 6.835 38.116 36.427 0.50 31.43 O HETATM 3630 O HOH B 524 13.770 13.111 41.557 0.50 42.07 O HETATM 3631 O HOH B 525 1.270 36.869 28.468 0.50 46.32 O HETATM 3632 O HOH B 526 16.771 9.692 33.729 0.50 35.99 O HETATM 3633 O HOH B 527 23.742 33.877 25.762 0.50 28.00 O HETATM 3634 O HOH B 528 23.111 27.555 26.107 1.00 50.18 O HETATM 3635 O HOH B 529 13.665 37.749 32.492 1.00 55.14 O HETATM 3636 O HOH B 530 18.816 34.191 30.208 1.00 38.21 O HETATM 3637 O HOH B 531 22.146 34.336 30.183 0.50 39.37 O HETATM 3638 O HOH B 532 3.635 9.146 24.778 1.00 43.18 O HETATM 3639 O HOH B 533 18.919 17.062 8.835 1.00 43.50 O HETATM 3640 O HOH B 534 26.000 9.714 9.620 0.50 42.28 O HETATM 3641 O HOH B 535 29.675 13.569 37.440 1.00 52.84 O HETATM 3642 O HOH B 536 21.072 42.647 24.905 1.00 47.18 O HETATM 3643 O HOH B 537 9.524 16.426 44.385 0.50 34.94 O HETATM 3644 O HOH B 538 20.191 17.426 32.329 0.50 26.68 O CONECT 2669 3217 CONECT 3201 3202 3203 3204 CONECT 3202 3201 CONECT 3203 3201 CONECT 3204 3201 CONECT 3205 3206 3207 3208 CONECT 3206 3205 CONECT 3207 3205 CONECT 3208 3205 CONECT 3209 3210 3211 3212 CONECT 3210 3209 CONECT 3211 3209 CONECT 3212 3209 CONECT 3213 3214 3215 3216 CONECT 3214 3213 CONECT 3215 3213 CONECT 3216 3213 CONECT 3217 2669 CONECT 3219 3220 3221 3222 CONECT 3220 3219 CONECT 3221 3219 CONECT 3222 3219 CONECT 3223 3224 3225 3226 CONECT 3224 3223 CONECT 3225 3223 CONECT 3226 3223 CONECT 3227 3228 3229 3230 CONECT 3228 3227 CONECT 3229 3227 3293 3294 3295 CONECT 3230 3227 3231 3296 CONECT 3231 3230 3232 3242 3297 CONECT 3232 3231 3233 3298 3299 CONECT 3233 3232 3234 3237 CONECT 3234 3233 3235 3300 CONECT 3235 3234 3236 3301 CONECT 3236 3235 3237 3241 CONECT 3237 3233 3236 3238 CONECT 3238 3237 3239 3302 CONECT 3239 3238 3240 3303 CONECT 3240 3239 3241 3304 CONECT 3241 3236 3240 3305 CONECT 3242 3231 3243 3244 CONECT 3243 3242 CONECT 3244 3242 3245 3306 CONECT 3245 3244 3246 3249 3307 CONECT 3246 3245 3247 3248 3308 CONECT 3247 3246 3309 3310 3311 CONECT 3248 3246 3312 3313 3314 CONECT 3249 3245 3250 3251 CONECT 3250 3249 CONECT 3251 3249 3252 3315 CONECT 3252 3251 3253 3260 3316 CONECT 3253 3252 3254 3317 3318 CONECT 3254 3253 3255 3259 CONECT 3255 3254 3256 3319 CONECT 3256 3255 3257 3320 CONECT 3257 3256 3258 3321 CONECT 3258 3257 3259 3322 CONECT 3259 3254 3258 3323 CONECT 3260 3252 3261 3267 3324 CONECT 3261 3260 3325 CONECT 3262 3263 3266 3274 CONECT 3263 3262 3264 3267 3326 CONECT 3264 3263 3265 3327 3328 CONECT 3265 3264 3266 3329 3330 CONECT 3266 3262 3265 3331 3332 CONECT 3267 3260 3263 3268 3333 CONECT 3268 3267 3334 CONECT 3269 3270 3288 3335 CONECT 3270 3269 3271 3274 3336 CONECT 3271 3270 3272 3273 3337 CONECT 3272 3271 3338 3339 3340 CONECT 3273 3271 3341 3342 3343 CONECT 3274 3262 3270 3275 CONECT 3275 3274 CONECT 3276 3277 3290 3344 CONECT 3277 3276 3278 3288 3345 CONECT 3278 3277 3279 3346 3347 CONECT 3279 3278 3280 3283 CONECT 3280 3279 3281 3348 CONECT 3281 3280 3282 3349 CONECT 3282 3281 3283 3287 CONECT 3283 3279 3282 3284 CONECT 3284 3283 3285 3350 CONECT 3285 3284 3286 3351 CONECT 3286 3285 3287 3352 CONECT 3287 3282 3286 3353 CONECT 3288 3269 3277 3289 CONECT 3289 3288 CONECT 3290 3276 3291 3292 CONECT 3291 3290 CONECT 3292 3290 3354 3355 3356 CONECT 3293 3229 CONECT 3294 3229 CONECT 3295 3229 CONECT 3296 3230 CONECT 3297 3231 CONECT 3298 3232 CONECT 3299 3232 CONECT 3300 3234 CONECT 3301 3235 CONECT 3302 3238 CONECT 3303 3239 CONECT 3304 3240 CONECT 3305 3241 CONECT 3306 3244 CONECT 3307 3245 CONECT 3308 3246 CONECT 3309 3247 CONECT 3310 3247 CONECT 3311 3247 CONECT 3312 3248 CONECT 3313 3248 CONECT 3314 3248 CONECT 3315 3251 CONECT 3316 3252 CONECT 3317 3253 CONECT 3318 3253 CONECT 3319 3255 CONECT 3320 3256 CONECT 3321 3257 CONECT 3322 3258 CONECT 3323 3259 CONECT 3324 3260 CONECT 3325 3261 CONECT 3326 3263 CONECT 3327 3264 CONECT 3328 3264 CONECT 3329 3265 CONECT 3330 3265 CONECT 3331 3266 CONECT 3332 3266 CONECT 3333 3267 CONECT 3334 3268 CONECT 3335 3269 CONECT 3336 3270 CONECT 3337 3271 CONECT 3338 3272 CONECT 3339 3272 CONECT 3340 3272 CONECT 3341 3273 CONECT 3342 3273 CONECT 3343 3273 CONECT 3344 3276 CONECT 3345 3277 CONECT 3346 3278 CONECT 3347 3278 CONECT 3348 3280 CONECT 3349 3281 CONECT 3350 3284 CONECT 3351 3285 CONECT 3352 3286 CONECT 3353 3287 CONECT 3354 3292 CONECT 3355 3292 CONECT 3356 3292 CONECT 3357 3358 3359 3360 CONECT 3358 3357 CONECT 3359 3357 CONECT 3360 3357 CONECT 3361 3363 3365 CONECT 3362 3364 3366 CONECT 3363 3361 CONECT 3364 3362 CONECT 3365 3361 3367 3369 CONECT 3366 3362 3368 3370 CONECT 3367 3365 CONECT 3368 3366 CONECT 3369 3365 3371 CONECT 3370 3366 3372 CONECT 3371 3369 CONECT 3372 3370 END