USER MOD reduce.3.24.130724 H: found=0, std=0, add=2318, rem=0, adj=92 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER SUGAR BINDING PROTEIN 03-JUN-10 3NBE TITLE CLITOCYBE NEBULARIS RICIN B-LIKE LECTIN (CNL) IN COMPLEX WITH N,N'- TITLE 2 DIACETYLLACTOSEDIAMINE COMPND MOL_ID: 1; COMPND 2 MOLECULE: RICIN B-LIKE LECTIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CLITOCYBE NEBULARIS; SOURCE 3 ORGANISM_TAXID: 117024; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET11A KEYWDS CLITOCYBE NEBULARIS RICIN B-LIKE LECTIN, N,N'-DIACETYLLACTOSEDIAMINE, KEYWDS 2 SUGAR BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR M.RENKO,J.POHLEVEN,J.SABOTIC,J.KOS,D.TURK REVDAT 3 19-MAR-14 3NBE 1 JRNL REVDAT 2 07-MAR-12 3NBE 1 JRNL REVDAT 1 13-JUL-11 3NBE 0 JRNL AUTH J.POHLEVEN,M.RENKO,S.MAGISTER,D.F.SMITH,M.KUNZLER, JRNL AUTH 2 B.STRUKELJ,D.TURK,J.KOS,J.SABOTIC JRNL TITL BIVALENT CARBOHYDRATE BINDING IS REQUIRED FOR BIOLOGICAL JRNL TITL 2 ACTIVITY OF CLITOCYBE NEBULARIS LECTIN (CNL), THE JRNL TITL 3 N,N'-DIACETYLLACTOSEDIAMINE (GALNAC BETA 1-4GLCNAC, JRNL TITL 4 LACDINAC)-SPECIFIC LECTIN FROM BASIDIOMYCETE C. NEBULARIS JRNL REF J.BIOL.CHEM. V. 287 10602 2012 JRNL REFN ISSN 0021-9258 JRNL PMID 22298779 JRNL DOI 10.1074/JBC.M111.317263 REMARK 2 REMARK 2 RESOLUTION. 1.86 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.5.0109 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.86 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 16.47 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.5 REMARK 3 NUMBER OF REFLECTIONS : 27519 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.180 REMARK 3 R VALUE (WORKING SET) : 0.178 REMARK 3 FREE R VALUE : 0.219 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 1396 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.86 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.90 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1384 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 70.36 REMARK 3 BIN R VALUE (WORKING SET) : 0.4360 REMARK 3 BIN FREE R VALUE SET COUNT : 64 REMARK 3 BIN FREE R VALUE : 0.5290 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2222 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 78 REMARK 3 SOLVENT ATOMS : 361 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 27.26 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.01000 REMARK 3 B22 (A**2) : -0.03000 REMARK 3 B33 (A**2) : 0.02000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): NULL REMARK 3 ESU BASED ON FREE R VALUE (A): 0.135 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.090 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.006 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.962 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.942 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2405 ; 0.025 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3313 ; 2.187 ; 1.976 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 308 ; 8.033 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 102 ;34.544 ;25.882 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 359 ;11.859 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 9 ;20.918 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 411 ; 0.516 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1805 ; 0.010 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1493 ; 1.258 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2451 ; 2.047 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 912 ; 3.004 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 853 ; 4.592 ; 4.500 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS U VALUES: REFINED INDIVIDUALLY. THE STRUCTURE WAS REMARK 3 REFINED ALSO WITH MAIN. REMARK 4 REMARK 4 3NBE COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 18-JUN-10. REMARK 100 THE RCSB ID CODE IS RCSB059617. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 10-MAY-09 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.1 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.54 REMARK 200 MONOCHROMATOR : YALE MIRRORS REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MAR SCANNER 345 MM PLATE REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL REMARK 200 DATA SCALING SOFTWARE : HKL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 27569 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.850 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.5 REMARK 200 DATA REDUNDANCY : 7.500 REMARK 200 R MERGE (I) : 0.08300 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 13.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.85 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.88 REMARK 200 COMPLETENESS FOR SHELL (%) : 48.6 REMARK 200 DATA REDUNDANCY IN SHELL : 1.80 REMARK 200 R MERGE FOR SHELL (I) : 0.36400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL 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: 3NBC REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 51.91 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.56 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.085M HEPES SODIUM, 1.7%(V/V) PEG REMARK 280 400, 2.0M AMMONIUM SULFATE, 19%(W/V) GLYCEROL, PH 7.1, VAPOR REMARK 280 DIFFUSION, SITTING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 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 20.94250 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 47.88850 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 40.47750 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 47.88850 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 20.94250 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 40.47750 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 REMARK 350 TOTAL BURIED SURFACE AREA: 1270 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 13020 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -12.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 VAL A 148 REMARK 465 VAL B 148 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 ALA B 147 C O CB REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 330 O HOH B 235 1655 2.07 REMARK 500 O HOH A 359 O HOH B 154 3555 2.11 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 28 CB GLU A 28 CG 0.130 REMARK 500 LYS A 39 CD LYS A 39 CE 0.169 REMARK 500 TYR A 44 CG TYR A 44 CD1 -0.079 REMARK 500 VAL A 131 CB VAL A 131 CG2 0.139 REMARK 500 VAL B 85 CB VAL B 85 CG2 0.206 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP A 20 CB - CG - OD2 ANGL. DEV. = -6.3 DEGREES REMARK 500 LEU A 21 CB - CG - CD2 ANGL. DEV. = -12.3 DEGREES REMARK 500 ARG A 74 NE - CZ - NH2 ANGL. DEV. = -3.6 DEGREES REMARK 500 ASN A 100 N - CA - CB ANGL. DEV. = -11.9 DEGREES REMARK 500 PRO B 41 C - N - CD ANGL. DEV. = 13.4 DEGREES REMARK 500 LEU B 54 CB - CG - CD2 ANGL. DEV. = -10.5 DEGREES REMARK 500 ARG B 72 NE - CZ - NH1 ANGL. DEV. = -3.6 DEGREES REMARK 500 ARG B 72 NE - CZ - NH2 ANGL. DEV. = 3.2 DEGREES REMARK 500 VAL B 73 CG1 - CB - CG2 ANGL. DEV. = 10.0 DEGREES REMARK 500 ARG B 74 CD - NE - CZ ANGL. DEV. = 9.5 DEGREES REMARK 500 ARG B 74 NE - CZ - NH1 ANGL. DEV. = -5.1 DEGREES REMARK 500 ARG B 74 NE - CZ - NH2 ANGL. DEV. = 3.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LYS A 39 135.83 -176.90 REMARK 500 ASP A 75 15.59 59.92 REMARK 500 ASN A 100 -158.55 -43.65 REMARK 500 SER A 101 -133.44 -76.03 REMARK 500 ALA B 98 56.53 -100.07 REMARK 500 ASN B 100 -114.73 34.98 REMARK 500 SER B 101 114.96 178.22 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 LYS A 39 12.60 REMARK 500 GLY A 45 11.09 REMARK 500 LEU A 54 10.02 REMARK 500 REMARK 500 REMARK: NULL REMARK 615 REMARK 615 ZERO OCCUPANCY ATOM REMARK 615 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 615 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 615 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 615 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 615 M RES C SSEQI REMARK 615 DLD A 580 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DLD A 580 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 355 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DLD B 581 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 356 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3NBC RELATED DB: PDB REMARK 900 IDENTICAL PROTEIN, CRYSTALLIZED WITH DIFFERENT LIGAND REMARK 900 RELATED ID: 3NBD RELATED DB: PDB REMARK 900 IDENTICAL PROTEIN, CRYSTALLIZED WITH DIFFERENT LIGAND DBREF 3NBE A 1 148 UNP B2ZRS9 B2ZRS9_CLINE 2 149 DBREF 3NBE B 1 148 UNP B2ZRS9 B2ZRS9_CLINE 2 149 SEQRES 1 A 148 SER ILE THR PRO GLY THR TYR ASN ILE THR ASN VAL ALA SEQRES 2 A 148 TYR THR ASN ARG LEU ILE ASP LEU THR GLY SER ASN PRO SEQRES 3 A 148 ALA GLU ASN THR LEU ILE ILE GLY HIS HIS LEU ASN LYS SEQRES 4 A 148 THR PRO SER GLY TYR GLY ASN GLN GLN TRP THR LEU VAL SEQRES 5 A 148 GLN LEU PRO HIS THR THR ILE TYR THR MET GLN ALA VAL SEQRES 6 A 148 ASN PRO GLN SER TYR VAL ARG VAL ARG ASP ASP ASN LEU SEQRES 7 A 148 VAL ASP GLY ALA ALA LEU VAL GLY SER GLN GLN PRO THR SEQRES 8 A 148 PRO VAL SER ILE GLU SER ALA GLY ASN SER GLY GLN PHE SEQRES 9 A 148 ARG ILE LYS ILE PRO ASN LEU GLY LEU ALA LEU THR LEU SEQRES 10 A 148 PRO SER ASP ALA ASN SER THR PRO ILE VAL LEU GLY GLU SEQRES 11 A 148 VAL ASP GLU THR SER THR ASN GLN LEU TRP ALA PHE GLU SEQRES 12 A 148 SER VAL SER ALA VAL SEQRES 1 B 148 SER ILE THR PRO GLY THR TYR ASN ILE THR ASN VAL ALA SEQRES 2 B 148 TYR THR ASN ARG LEU ILE ASP LEU THR GLY SER ASN PRO SEQRES 3 B 148 ALA GLU ASN THR LEU ILE ILE GLY HIS HIS LEU ASN LYS SEQRES 4 B 148 THR PRO SER GLY TYR GLY ASN GLN GLN TRP THR LEU VAL SEQRES 5 B 148 GLN LEU PRO HIS THR THR ILE TYR THR MET GLN ALA VAL SEQRES 6 B 148 ASN PRO GLN SER TYR VAL ARG VAL ARG ASP ASP ASN LEU SEQRES 7 B 148 VAL ASP GLY ALA ALA LEU VAL GLY SER GLN GLN PRO THR SEQRES 8 B 148 PRO VAL SER ILE GLU SER ALA GLY ASN SER GLY GLN PHE SEQRES 9 B 148 ARG ILE LYS ILE PRO ASN LEU GLY LEU ALA LEU THR LEU SEQRES 10 B 148 PRO SER ASP ALA ASN SER THR PRO ILE VAL LEU GLY GLU SEQRES 11 B 148 VAL ASP GLU THR SER THR ASN GLN LEU TRP ALA PHE GLU SEQRES 12 B 148 SER VAL SER ALA VAL HET DLD A 580 34 HET SO4 A 355 5 HET DLD B 581 34 HET SO4 B 356 5 HETNAM DLD 2-AZIDOETHYL 2-(ACETYLAMINO)-4-O-[2-(ACETYLAMINO)-2- HETNAM 2 DLD DEOXY-BETA-D-GALACTOPYRANOSYL]-2-DEOXY-BETA-D- HETNAM 3 DLD GLUCOPYRANOSIDE HETNAM SO4 SULFATE ION FORMUL 3 DLD 2(C18 H31 N5 O11) FORMUL 4 SO4 2(O4 S 2-) FORMUL 7 HOH *361(H2 O) HELIX 1 1 GLY A 23 ASN A 25 5 3 HELIX 2 2 ASP A 75 ASN A 77 5 3 HELIX 3 3 SER A 135 GLN A 138 5 4 HELIX 4 4 GLY B 23 ASN B 25 5 3 HELIX 5 5 ASP B 75 ASN B 77 5 3 HELIX 6 6 SER B 135 GLN B 138 5 4 SHEET 1 A 9 VAL A 127 GLU A 130 0 SHEET 2 A 9 LEU A 113 THR A 116 -1 N ALA A 114 O GLY A 129 SHEET 3 A 9 GLN A 103 ILE A 108 -1 N ILE A 108 O LEU A 113 SHEET 4 A 9 TRP A 140 SER A 144 -1 O TRP A 140 N PHE A 104 SHEET 5 A 9 GLY A 5 ASN A 11 -1 N ASN A 8 O GLU A 143 SHEET 6 A 9 TRP A 49 GLN A 53 -1 O LEU A 51 N GLY A 5 SHEET 7 A 9 ILE A 59 ALA A 64 -1 O GLN A 63 N THR A 50 SHEET 8 A 9 VAL A 93 SER A 97 -1 O VAL A 93 N TYR A 60 SHEET 9 A 9 GLN A 103 ILE A 108 -1 O LYS A 107 N SER A 94 SHEET 1 B 4 LEU A 18 LEU A 21 0 SHEET 2 B 4 THR A 30 HIS A 35 -1 O HIS A 35 N LEU A 18 SHEET 3 B 4 LEU A 84 SER A 87 -1 O LEU A 84 N ILE A 32 SHEET 4 B 4 TYR A 70 VAL A 73 -1 N TYR A 70 O SER A 87 SHEET 1 C 3 LEU A 18 LEU A 21 0 SHEET 2 C 3 THR A 30 HIS A 35 -1 O HIS A 35 N LEU A 18 SHEET 3 C 3 THR A 124 PRO A 125 -1 O THR A 124 N GLY A 34 SHEET 1 D 9 VAL B 127 GLU B 130 0 SHEET 2 D 9 LEU B 113 THR B 116 -1 N THR B 116 O VAL B 127 SHEET 3 D 9 GLN B 103 ILE B 108 -1 N ILE B 106 O LEU B 115 SHEET 4 D 9 TRP B 140 SER B 144 -1 O TRP B 140 N PHE B 104 SHEET 5 D 9 GLY B 5 ASN B 11 -1 N THR B 10 O ALA B 141 SHEET 6 D 9 TRP B 49 GLN B 53 -1 O LEU B 51 N GLY B 5 SHEET 7 D 9 ILE B 59 ALA B 64 -1 O GLN B 63 N THR B 50 SHEET 8 D 9 VAL B 93 SER B 97 -1 O VAL B 93 N TYR B 60 SHEET 9 D 9 GLN B 103 ILE B 108 -1 O LYS B 107 N SER B 94 SHEET 1 E 4 LEU B 18 LEU B 21 0 SHEET 2 E 4 THR B 30 HIS B 35 -1 O HIS B 35 N LEU B 18 SHEET 3 E 4 LEU B 84 SER B 87 -1 O GLY B 86 N THR B 30 SHEET 4 E 4 TYR B 70 VAL B 73 -1 N TYR B 70 O SER B 87 SHEET 1 F 3 LEU B 18 LEU B 21 0 SHEET 2 F 3 THR B 30 HIS B 35 -1 O HIS B 35 N LEU B 18 SHEET 3 F 3 THR B 124 PRO B 125 -1 O THR B 124 N GLY B 34 CISPEP 1 THR A 40 PRO A 41 0 0.41 CISPEP 2 ASN A 66 PRO A 67 0 -0.53 CISPEP 3 THR B 40 PRO B 41 0 0.86 CISPEP 4 ASN B 66 PRO B 67 0 -0.52 SITE *** AC1 24 ASP A 20 THR A 22 GLY A 23 SER A 24 SITE *** AC1 24 ILE A 33 HIS A 35 ASN A 38 TYR A 44 SITE *** AC1 24 ASN A 46 ASP A 80 GLY A 81 SER A 123 SITE *** AC1 24 HOH A 160 HOH A 164 HOH A 169 HOH A 172 SITE *** AC1 24 HOH A 175 HOH A 181 HOH A 184 HOH A 191 SITE *** AC1 24 HOH A 196 HOH A 197 HOH A 200 DLD B 581 SITE *** AC2 8 HOH A 0 ASN A 16 ARG A 17 ASN A 29 SITE *** AC2 8 ARG A 74 HOH A 152 HOH A 155 ALA B 27 SITE *** AC3 21 HOH A 158 DLD A 580 ASP B 20 LEU B 21 SITE *** AC3 21 THR B 22 GLY B 23 SER B 24 ILE B 33 SITE *** AC3 21 HIS B 35 ASN B 38 TYR B 44 ASN B 46 SITE *** AC3 21 SER B 123 HOH B 150 HOH B 196 HOH B 202 SITE *** AC3 21 HOH B 203 HOH B 251 HOH B 258 HOH B 259 SITE *** AC3 21 HOH B 294 SITE *** AC4 7 ASP A 132 GLU A 133 THR A 134 ASN B 16 SITE *** AC4 7 ARG B 17 HIS B 36 HOH B 204 CRYST1 41.885 80.955 95.777 90.00 90.00 90.00 P 21 21 21 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 0.023875 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012353 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010441 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 1 SER OG : rot 99:sc= 0.132 USER MOD Set 1.2: B 53 GLN : amide:sc= 0.48 K(o=1.6,f=0.61) USER MOD Set 1.3: B 60 TYR OH : rot 156:sc= 0.96 USER MOD Set 2.1: B 58 THR OG1 : rot 94:sc= 0.183 USER MOD Set 2.2: B 94 SER OG : rot -103:sc= 1.45 USER MOD Set 3.1: A 70 TYR OH : rot -65:sc= 1.24 USER MOD Set 3.2: B 56 HIS : no HD1:sc= 0.177 K(o=1.4,f=0.071) USER MOD Set 4.1: B 6 THR OG1 : rot 180:sc= 0.772 USER MOD Set 4.2: B 50 THR OG1 : rot -62:sc= 0.866 USER MOD Set 5.1: B 38 ASN : amide:sc= 0.912 K(o=3,f=-7.1!) USER MOD Set 5.2: B 46 ASN : amide:sc= 0.512 K(o=3,f=-6.2!) USER MOD Set 5.3: B 581 DLD O3A : rot 170:sc= 1.61 USER MOD Set 6.1: B 35 HIS :FLIP no HE2:sc= -1.02 F(o=-6.3!,f=-2.7) USER MOD Set 6.2: B 36 HIS : no HE2:sc= -0.44 K(o=-2.7,f=-4.2!) USER MOD Set 6.3: B 122 ASN : amide:sc= -1.87 X(o=-2.7,f=-2.9!) USER MOD Set 6.4: B 123 SER OG : rot 180:sc= 0.59 USER MOD Set 7.1: B 14 TYR OH : rot 30:sc= 0.0595 USER MOD Set 7.2: B 137 ASN : amide:sc= 0.629 K(o=0.69,f=-0.53) USER MOD Set 8.1: A 38 ASN : amide:sc= 0.852 K(o=3.6,f=-4.3!) USER MOD Set 8.2: A 46 ASN : amide:sc= 0.627 K(o=3.6,f=-5!) USER MOD Set 8.3: A 580 DLD O3A : rot 122:sc= 2.13 USER MOD Set 9.1: A 116 THR OG1B: rot 84:sc= 1.17 USER MOD Set 9.2: A 135 SER OG A: rot -142:sc= 1.04 USER MOD Set 9.3: A 137 ASN : amide:sc= 1.35 K(o=3.6,f=-7.8!) USER MOD Set10.1: A 35 HIS : no HE2:sc= 1.32 K(o=3.6,f=-3!) USER MOD Set10.2: A 36 HIS : no HE2:sc= 0.947 K(o=3.6,f=0.86) USER MOD Set10.3: A 123 SER OG : rot 146:sc= 1.34 USER MOD Set11.1: A 100 ASN : amide:sc= -1.31! C(o=-1.3!,f=-6.9!) USER MOD Set11.2: A 103 GLN :FLIP amide:sc= 0 F(o=-2.4!,f=-1.3) USER MOD Set12.1: A 58 THR OG1 : rot 98:sc= 0.697 USER MOD Set12.2: A 94 SER OG : rot -124:sc= 1.9 USER MOD Set13.1: A 56 HIS : no HD1:sc= 0.884 K(o=2,f=-1.7!) USER MOD Set13.2: B 70 TYR OH : rot 180:sc= 1.09 USER MOD Set14.1: A 6 THR OG1 : rot 180:sc= 0.906 USER MOD Set14.2: A 50 THR OG1 : rot -66:sc= 1.04 USER MOD Single : A 1 SER N :NH3+ 145:sc= 0.323 (180deg=0.0837) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0825 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -168:sc= 1.17 USER MOD Single : A 8 ASN : amide:sc= 1.87 K(o=1.9,f=-1.8) USER MOD Single : A 10 THR OG1 : rot 100:sc= 1.45 USER MOD Single : A 11 ASN : amide:sc= 0.76 K(o=0.76,f=-5.5!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -70:sc= 1.16 USER MOD Single : A 16 ASN A: amide:sc= -0.191 K(o=-0.19,f=-2.2!) USER MOD Single : A 16 ASN B: amide:sc= -2.11! C(o=-2.1!,f=-6.5!) USER MOD Single : A 22 THR OG1 : rot 83:sc= 2.17 USER MOD Single : A 24 SER OG : rot 89:sc= 2.15 USER MOD Single : A 25 ASN : amide:sc= 1.95 K(o=1.9,f=-3.7!) USER MOD Single : A 29 ASN : amide:sc= 0.736 K(o=0.74,f=-1.5) USER MOD Single : A 30 THR OG1 : rot 82:sc= 2.13 USER MOD Single : A 39 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -180:sc= 2.46 USER MOD Single : A 42 SER OG : rot -93:sc= 0.467 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 1.71 K(o=1.7,f=-4.3!) USER MOD Single : A 48 GLN : amide:sc= 1.07 K(o=1.1,f=-1.8!) USER MOD Single : A 53 GLN : amide:sc= 1.37 K(o=1.4,f=-0.12) USER MOD Single : A 57 THR OG1 : rot -55:sc= 0.951 USER MOD Single : A 60 TYR OH : rot 165:sc= 1.34 USER MOD Single : A 61 THR OG1 : rot -140:sc= 2.31 USER MOD Single : A 62 MET CE :methyl 151:sc= -0.346 (180deg=-1.31) USER MOD Single : A 63 GLN : amide:sc= 1.05 K(o=1,f=-1.2) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 68 GLN : amide:sc= 0.602 X(o=0.6,f=0.63) USER MOD Single : A 69 SER OG : rot -172:sc= 2.36 USER MOD Single : A 77 ASN : amide:sc= 2.31 K(o=2.3,f=1.8) USER MOD Single : A 87 SER OG : rot 76:sc= 1.58 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.0836 X(o=-0.084,f=-0.052) USER MOD Single : A 91 THR OG1 : rot -99:sc= 1.91 USER MOD Single : A 97 SER OG : rot -18:sc= -0.0439 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -164:sc= 2.39 (180deg=1.95) USER MOD Single : A 110 ASN : amide:sc= 1.43 K(o=1.4,f=0.81) USER MOD Single : A 116 THR OG1A: rot -48:sc= 0.0861 USER MOD Single : A 119 SER OG : rot 180:sc= 0.338 USER MOD Single : A 122 ASN : amide:sc= -0.079 K(o=-0.079,f=-3.7!) USER MOD Single : A 124 THR OG1 : rot 81:sc= 2.02 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG B: rot 95:sc= 1.9 USER MOD Single : A 136 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 138 GLN : amide:sc= 1.66 K(o=1.7,f=-7.3!) USER MOD Single : A 144 SER OG : rot -21:sc= 0.265 USER MOD Single : A 146 SER OG : rot 126:sc= 0.00742 USER MOD Single : A 580 DLD O3B : rot -175:sc= 2.43 USER MOD Single : A 580 DLD O4A : rot -113:sc= 1.57 USER MOD Single : A 580 DLD O6A : rot -114:sc= 0.716 USER MOD Single : A 580 DLD O6B : rot -124:sc= 2.38 USER MOD Single : B 1 SER N :NH3+ -120:sc= 0.243 (180deg=0.0166) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 TYR OH : rot -138:sc= 1.24 USER MOD Single : B 8 ASN : amide:sc= 0.287 K(o=0.29,f=-0.73) USER MOD Single : B 10 THR OG1A: rot 180:sc= 0 USER MOD Single : B 10 THR OG1B: rot 180:sc= 0 USER MOD Single : B 11 ASN : amide:sc= 0.595 K(o=0.59,f=-5.2!) USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 ASN : amide:sc= 0.923 K(o=0.92,f=-6.1!) USER MOD Single : B 22 THR OG1 : rot 85:sc= 2.32 USER MOD Single : B 24 SER OG : rot 91:sc= 1.84 USER MOD Single : B 25 ASN : amide:sc= 0.656 K(o=0.66,f=-5.3!) USER MOD Single : B 29 ASN : amide:sc= 0.952 K(o=0.95,f=-1.5!) USER MOD Single : B 30 THR OG1 : rot 91:sc= 0.23 USER MOD Single : B 39 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 SER OG : rot 160:sc= 0 USER MOD Single : B 44 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 GLN : amide:sc= 1.44 K(o=1.4,f=-6.1!) USER MOD Single : B 48 GLN : amide:sc= 0.0575 K(o=0.057,f=-1.2!) USER MOD Single : B 57 THR OG1 : rot -68:sc= 1.81 USER MOD Single : B 61 THR OG1 : rot 81:sc= 1.81 USER MOD Single : B 62 MET CE :methyl 162:sc= -1.37 (180deg=-2.16!) USER MOD Single : B 63 GLN : amide:sc= 0.886 K(o=0.89,f=-1.3) USER MOD Single : B 66 ASN : amide:sc= 0.974 K(o=0.97,f=-0.37) USER MOD Single : B 68 GLN : amide:sc= 0.0078 X(o=0.0078,f=0) USER MOD Single : B 69 SER OG : rot -14:sc= 1.93 USER MOD Single : B 77 ASN : amide:sc=-0.00772 X(o=-0.0077,f=-0.49) USER MOD Single : B 87 SER OG : rot 55:sc= 2.03 USER MOD Single : B 88 GLN : amide:sc= 0.564 K(o=0.56,f=-0.5) USER MOD Single : B 89 GLN : amide:sc= 0.839 X(o=0.84,f=0.43) USER MOD Single : B 91 THR OG1 : rot -73:sc= 1.88 USER MOD Single : B 97 SER OG : rot 180:sc= 0 USER MOD Single : B 100 ASN :FLIP amide:sc= -0.103 F(o=-0.62,f=-0.1) USER MOD Single : B 101 SER OG : rot 180:sc= 0 USER MOD Single : B 103 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 110 ASN : amide:sc= 1.32 K(o=1.3,f=0.51) USER MOD Single : B 116 THR OG1 : rot 153:sc= 1.33 USER MOD Single : B 119 SER OG : rot 180:sc= 0.263 USER MOD Single : B 124 THR OG1 : rot 180:sc= -0.0495 USER MOD Single : B 134 THR OG1 : rot -69:sc= 1.72 USER MOD Single : B 135 SER OG : rot -137:sc= 0.918 USER MOD Single : B 136 THR OG1 : rot 180:sc= -0.21 USER MOD Single : B 138 GLN : amide:sc= 0.519 K(o=0.52,f=-0.49) USER MOD Single : B 144 SER OG : rot -22:sc= 0.313 USER MOD Single : B 146 SER OG : rot 180:sc= 0 USER MOD Single : B 581 DLD O3B : rot 170:sc= 0 USER MOD Single : B 581 DLD O4A : rot -61:sc= 1.75 USER MOD Single : B 581 DLD O6A : rot -162:sc= 1.32 USER MOD Single : B 581 DLD O6B : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.036 1.244 22.530 1.00 55.21 N ATOM 2 CA SER A 1 12.560 2.370 21.706 1.00 52.75 C ATOM 3 C SER A 1 13.649 3.442 21.488 1.00 50.15 C ATOM 4 O SER A 1 14.550 3.543 22.312 1.00 50.01 O ATOM 5 CB SER A 1 11.332 2.947 22.386 1.00 57.72 C ATOM 6 OG SER A 1 10.547 1.859 22.843 1.00 58.22 O ATOM 0 H1 SER A 1 12.370 0.946 23.040 1.00 55.21 H new ATOM 0 H2 SER A 1 13.320 0.587 22.000 1.00 55.21 H new ATOM 0 H3 SER A 1 13.706 1.517 23.048 1.00 55.21 H new ATOM 0 HA SER A 1 12.335 2.051 20.818 1.00 52.75 H new ATOM 0 HB2 SER A 1 11.589 3.517 23.127 1.00 57.72 H new ATOM 0 HB3 SER A 1 10.826 3.497 21.767 1.00 57.72 H new ATOM 0 HG SER A 1 9.859 2.151 23.226 1.00 58.22 H new ATOM 7 N ILE A 2 13.537 4.278 20.439 1.00 43.23 N ATOM 8 CA ILE A 2 14.551 5.254 20.139 1.00 43.00 C ATOM 9 C ILE A 2 14.772 6.177 21.300 1.00 41.86 C ATOM 10 O ILE A 2 13.813 6.617 21.907 1.00 40.29 O ATOM 11 CB ILE A 2 14.182 6.118 18.922 1.00 47.35 C ATOM 12 CG1 ILE A 2 13.729 5.244 17.764 1.00 47.76 C ATOM 13 CG2 ILE A 2 15.356 6.978 18.509 1.00 49.60 C ATOM 14 CD1 ILE A 2 13.729 5.975 16.433 1.00 46.62 C ATOM 0 H ILE A 2 12.870 4.281 19.897 1.00 43.23 H new ATOM 0 HA ILE A 2 15.357 4.750 19.946 1.00 43.00 H new ATOM 0 HB ILE A 2 13.447 6.700 19.171 1.00 47.35 H new ATOM 0 HG12 ILE A 2 14.311 4.470 17.702 1.00 47.76 H new ATOM 0 HG13 ILE A 2 12.835 4.913 17.945 1.00 47.76 H new ATOM 0 HG21 ILE A 2 15.109 7.517 17.741 1.00 49.60 H new ATOM 0 HG22 ILE A 2 15.606 7.559 19.244 1.00 49.60 H new ATOM 0 HG23 ILE A 2 16.107 6.410 18.276 1.00 49.60 H new ATOM 0 HD11 ILE A 2 13.433 5.373 15.733 1.00 46.62 H new ATOM 0 HD12 ILE A 2 13.128 6.735 16.481 1.00 46.62 H new ATOM 0 HD13 ILE A 2 14.626 6.285 16.234 1.00 46.62 H new ATOM 15 N THR A 3 16.032 6.359 21.663 1.00 39.73 N ATOM 16 CA THR A 3 16.397 7.286 22.721 1.00 42.39 C ATOM 17 C THR A 3 16.181 8.736 22.306 1.00 43.88 C ATOM 18 O THR A 3 16.289 9.137 21.115 1.00 35.84 O ATOM 19 CB THR A 3 17.851 7.077 23.442 1.00 45.80 C ATOM 20 OG1 THR A 3 18.713 8.262 23.385 1.00 46.72 O ATOM 21 CG2 THR A 3 18.546 5.865 22.950 1.00 38.00 C ATOM 0 H THR A 3 16.698 5.950 21.304 1.00 39.73 H new ATOM 0 HA THR A 3 15.773 7.052 23.426 1.00 42.39 H new ATOM 0 HB THR A 3 17.656 6.941 24.382 1.00 45.80 H new ATOM 0 HG1 THR A 3 19.441 8.098 23.770 1.00 46.72 H new ATOM 0 HG21 THR A 3 19.401 5.777 23.400 1.00 38.00 H new ATOM 0 HG22 THR A 3 18.002 5.083 23.134 1.00 38.00 H new ATOM 0 HG23 THR A 3 18.691 5.940 21.994 1.00 38.00 H new ATOM 22 N PRO A 4 15.764 9.523 23.291 1.00 34.40 N ATOM 23 CA PRO A 4 15.501 10.939 23.112 1.00 34.92 C ATOM 24 C PRO A 4 16.791 11.467 22.540 1.00 32.19 C ATOM 25 O PRO A 4 17.828 10.943 22.858 1.00 33.04 O ATOM 26 CB PRO A 4 15.363 11.398 24.545 1.00 33.37 C ATOM 27 CG PRO A 4 14.562 10.243 25.172 1.00 30.24 C ATOM 28 CD PRO A 4 15.209 9.002 24.566 1.00 31.09 C ATOM 0 HA PRO A 4 14.746 11.196 22.560 1.00 34.92 H new ATOM 0 HB2 PRO A 4 16.225 11.517 24.973 1.00 33.37 H new ATOM 0 HB3 PRO A 4 14.894 12.244 24.612 1.00 33.37 H new ATOM 0 HG2 PRO A 4 14.628 10.245 26.140 1.00 30.24 H new ATOM 0 HG3 PRO A 4 13.619 10.300 24.952 1.00 30.24 H new ATOM 0 HD2 PRO A 4 15.901 8.638 25.140 1.00 31.09 H new ATOM 0 HD3 PRO A 4 14.563 8.294 24.417 1.00 31.09 H new ATOM 29 N GLY A 5 16.735 12.405 21.616 1.00 29.08 N ATOM 30 CA GLY A 5 17.964 12.926 21.074 1.00 27.92 C ATOM 31 C GLY A 5 17.637 13.566 19.744 1.00 29.81 C ATOM 32 O GLY A 5 16.432 13.665 19.456 1.00 25.63 O ATOM 0 H GLY A 5 16.013 12.746 21.296 1.00 29.08 H new ATOM 0 HA2 GLY A 5 18.355 13.576 21.679 1.00 27.92 H new ATOM 0 HA3 GLY A 5 18.615 12.216 20.960 1.00 27.92 H new ATOM 33 N THR A 6 18.659 13.856 18.942 1.00 27.91 N ATOM 34 CA THR A 6 18.507 14.677 17.650 1.00 21.58 C ATOM 35 C THR A 6 18.926 13.861 16.541 1.00 23.23 C ATOM 36 O THR A 6 19.969 13.228 16.644 1.00 26.55 O ATOM 37 CB THR A 6 19.251 16.034 17.800 1.00 22.13 C ATOM 38 OG1 THR A 6 18.548 16.777 18.830 1.00 24.95 O ATOM 39 CG2 THR A 6 19.021 16.864 16.477 1.00 21.44 C ATOM 0 H THR A 6 19.466 13.602 19.097 1.00 27.91 H new ATOM 0 HA THR A 6 17.584 14.919 17.474 1.00 21.58 H new ATOM 0 HB THR A 6 20.192 15.894 17.991 1.00 22.13 H new ATOM 0 HG1 THR A 6 18.921 17.521 18.943 1.00 24.95 H new ATOM 0 HG21 THR A 6 19.477 17.717 16.547 1.00 21.44 H new ATOM 0 HG22 THR A 6 19.373 16.371 15.720 1.00 21.44 H new ATOM 0 HG23 THR A 6 18.071 17.015 16.350 1.00 21.44 H new ATOM 40 N TYR A 7 18.082 13.767 15.489 1.00 22.87 N ATOM 41 CA TYR A 7 18.377 12.816 14.377 1.00 26.28 C ATOM 42 C TYR A 7 18.129 13.411 12.983 1.00 25.96 C ATOM 43 O TYR A 7 17.256 14.206 12.815 1.00 17.90 O ATOM 44 CB TYR A 7 17.392 11.625 14.505 1.00 25.70 C ATOM 45 CG TYR A 7 17.604 10.853 15.823 1.00 29.66 C ATOM 46 CD1 TYR A 7 18.515 9.852 15.872 1.00 25.45 C ATOM 47 CD2 TYR A 7 16.853 11.137 17.010 1.00 28.54 C ATOM 48 CE1 TYR A 7 18.720 9.069 17.081 1.00 33.33 C ATOM 49 CE2 TYR A 7 17.081 10.339 18.211 1.00 28.85 C ATOM 50 CZ TYR A 7 18.007 9.332 18.215 1.00 32.59 C ATOM 51 OH TYR A 7 18.272 8.572 19.368 1.00 31.04 O ATOM 0 H TYR A 7 17.359 14.224 15.397 1.00 22.87 H new ATOM 0 HA TYR A 7 19.313 12.574 14.452 1.00 26.28 H new ATOM 0 HB2 TYR A 7 16.480 11.953 14.464 1.00 25.70 H new ATOM 0 HB3 TYR A 7 17.511 11.023 13.754 1.00 25.70 H new ATOM 0 HD1 TYR A 7 19.021 9.661 15.116 1.00 25.45 H new ATOM 0 HD2 TYR A 7 16.226 11.824 17.015 1.00 28.54 H new ATOM 0 HE1 TYR A 7 19.345 8.380 17.081 1.00 33.33 H new ATOM 0 HE2 TYR A 7 16.592 10.517 18.981 1.00 28.85 H new ATOM 0 HH TYR A 7 17.671 8.710 19.939 1.00 31.04 H new ATOM 52 N ASN A 8 18.718 12.754 12.005 1.00 25.48 N ATOM 53 CA ASN A 8 18.394 12.977 10.574 1.00 20.09 C ATOM 54 C ASN A 8 17.521 11.770 10.409 1.00 18.44 C ATOM 55 O ASN A 8 17.794 10.703 10.959 1.00 23.24 O ATOM 56 CB ASN A 8 19.607 12.831 9.680 1.00 25.00 C ATOM 57 CG ASN A 8 20.607 13.997 9.791 1.00 25.12 C ATOM 58 OD1 ASN A 8 21.811 13.745 9.749 1.00 29.21 O ATOM 59 ND2 ASN A 8 20.140 15.253 9.836 1.00 21.47 N ATOM 0 H ASN A 8 19.324 12.158 12.135 1.00 25.48 H new ATOM 0 HA ASN A 8 18.031 13.850 10.355 1.00 20.09 H new ATOM 0 HB2 ASN A 8 20.063 12.004 9.900 1.00 25.00 H new ATOM 0 HB3 ASN A 8 19.312 12.756 8.759 1.00 25.00 H new ATOM 0 HD21 ASN A 8 20.688 15.916 9.836 1.00 21.47 H new ATOM 0 HD22 ASN A 8 19.292 15.396 9.865 1.00 21.47 H new ATOM 60 N ILE A 9 16.389 11.932 9.692 1.00 18.32 N ATOM 61 CA ILE A 9 15.434 10.830 9.592 1.00 18.57 C ATOM 62 C ILE A 9 15.275 10.628 8.104 1.00 21.49 C ATOM 63 O ILE A 9 14.799 11.505 7.393 1.00 24.73 O ATOM 64 CB ILE A 9 14.055 11.253 10.199 1.00 18.94 C ATOM 65 CG1 ILE A 9 14.247 11.680 11.736 1.00 17.31 C ATOM 66 CG2 ILE A 9 13.101 10.042 10.163 1.00 19.50 C ATOM 67 CD1 ILE A 9 12.985 12.212 12.453 1.00 20.61 C ATOM 0 H ILE A 9 16.169 12.650 9.273 1.00 18.32 H new ATOM 0 HA ILE A 9 15.731 10.036 10.064 1.00 18.57 H new ATOM 0 HB ILE A 9 13.696 11.995 9.687 1.00 18.94 H new ATOM 0 HG12 ILE A 9 14.577 10.912 12.228 1.00 17.31 H new ATOM 0 HG13 ILE A 9 14.935 12.363 11.780 1.00 17.31 H new ATOM 0 HG21 ILE A 9 12.243 10.295 10.538 1.00 19.50 H new ATOM 0 HG22 ILE A 9 12.980 9.752 9.245 1.00 19.50 H new ATOM 0 HG23 ILE A 9 13.479 9.316 10.684 1.00 19.50 H new ATOM 0 HD11 ILE A 9 13.205 12.441 13.370 1.00 20.61 H new ATOM 0 HD12 ILE A 9 12.660 13.001 11.993 1.00 20.61 H new ATOM 0 HD13 ILE A 9 12.297 11.528 12.447 1.00 20.61 H new ATOM 68 N THR A 10 15.586 9.411 7.659 1.00 22.18 N ATOM 69 CA THR A 10 15.631 9.168 6.186 1.00 24.95 C ATOM 70 C THR A 10 14.637 8.146 5.788 1.00 21.80 C ATOM 71 O THR A 10 14.376 7.246 6.498 1.00 20.22 O ATOM 72 CB THR A 10 17.074 8.678 5.658 1.00 24.75 C ATOM 73 OG1 THR A 10 17.428 7.539 6.431 1.00 29.55 O ATOM 74 CG2 THR A 10 18.122 9.707 5.914 1.00 21.38 C ATOM 0 H THR A 10 15.769 8.732 8.154 1.00 22.18 H new ATOM 0 HA THR A 10 15.431 10.027 5.783 1.00 24.95 H new ATOM 0 HB THR A 10 17.022 8.502 4.706 1.00 24.75 H new ATOM 0 HG1 THR A 10 17.262 6.841 5.994 1.00 29.55 H new ATOM 0 HG21 THR A 10 18.977 9.386 5.587 1.00 21.38 H new ATOM 0 HG22 THR A 10 17.888 10.529 5.455 1.00 21.38 H new ATOM 0 HG23 THR A 10 18.184 9.876 6.867 1.00 21.38 H new ATOM 75 N ASN A 11 14.026 8.307 4.635 1.00 18.30 N ATOM 76 CA ASN A 11 12.997 7.330 4.201 1.00 18.42 C ATOM 77 C ASN A 11 13.616 5.968 3.804 1.00 26.64 C ATOM 78 O ASN A 11 14.716 5.922 3.293 1.00 23.30 O ATOM 79 CB ASN A 11 12.099 7.919 3.028 1.00 22.83 C ATOM 80 CG ASN A 11 10.890 7.066 2.779 1.00 21.04 C ATOM 81 OD1 ASN A 11 10.864 6.276 1.831 1.00 23.45 O ATOM 82 ND2 ASN A 11 9.810 7.336 3.514 1.00 18.22 N ATOM 0 H ASN A 11 14.173 8.953 4.086 1.00 18.30 H new ATOM 0 HA ASN A 11 12.421 7.168 4.965 1.00 18.42 H new ATOM 0 HB2 ASN A 11 11.820 8.820 3.254 1.00 22.83 H new ATOM 0 HB3 ASN A 11 12.626 7.981 2.216 1.00 22.83 H new ATOM 0 HD21 ASN A 11 9.061 6.954 3.334 1.00 18.22 H new ATOM 0 HD22 ASN A 11 9.863 7.892 4.168 1.00 18.22 H new ATOM 83 N VAL A 12 12.904 4.887 4.049 1.00 23.97 N ATOM 84 CA VAL A 12 13.503 3.556 3.713 1.00 26.87 C ATOM 85 C VAL A 12 13.296 3.222 2.266 1.00 30.59 C ATOM 86 O VAL A 12 14.123 2.502 1.665 1.00 28.90 O ATOM 87 CB VAL A 12 12.874 2.478 4.688 1.00 28.83 C ATOM 88 CG1 VAL A 12 13.077 1.023 4.166 1.00 28.63 C ATOM 89 CG2 VAL A 12 13.541 2.697 6.071 1.00 17.63 C ATOM 0 H VAL A 12 12.114 4.871 4.389 1.00 23.97 H new ATOM 0 HA VAL A 12 14.464 3.571 3.842 1.00 26.87 H new ATOM 0 HB VAL A 12 11.912 2.590 4.747 1.00 28.83 H new ATOM 0 HG11 VAL A 12 12.679 0.397 4.790 1.00 28.63 H new ATOM 0 HG12 VAL A 12 12.653 0.928 3.299 1.00 28.63 H new ATOM 0 HG13 VAL A 12 14.026 0.838 4.084 1.00 28.63 H new ATOM 0 HG21 VAL A 12 13.186 2.056 6.707 1.00 17.63 H new ATOM 0 HG22 VAL A 12 14.500 2.575 5.991 1.00 17.63 H new ATOM 0 HG23 VAL A 12 13.355 3.597 6.382 1.00 17.63 H new ATOM 90 N ALA A 13 12.149 3.661 1.714 1.00 27.59 N ATOM 91 CA ALA A 13 11.991 3.431 0.256 1.00 26.41 C ATOM 92 C ALA A 13 12.949 4.305 -0.483 1.00 26.77 C ATOM 93 O ALA A 13 13.509 3.859 -1.497 1.00 23.55 O ATOM 94 CB ALA A 13 10.588 3.745 -0.247 1.00 26.18 C ATOM 0 H ALA A 13 11.503 4.059 2.119 1.00 27.59 H new ATOM 0 HA ALA A 13 12.163 2.489 0.100 1.00 26.41 H new ATOM 0 HB1 ALA A 13 10.541 3.578 -1.201 1.00 26.18 H new ATOM 0 HB2 ALA A 13 9.946 3.181 0.211 1.00 26.18 H new ATOM 0 HB3 ALA A 13 10.382 4.677 -0.072 1.00 26.18 H new ATOM 95 N TYR A 14 13.022 5.579 -0.111 1.00 20.73 N ATOM 96 CA TYR A 14 13.890 6.598 -0.862 1.00 25.17 C ATOM 97 C TYR A 14 14.923 7.072 0.060 1.00 24.77 C ATOM 98 O TYR A 14 14.799 8.133 0.770 1.00 20.74 O ATOM 99 CB TYR A 14 13.003 7.692 -1.328 1.00 22.53 C ATOM 100 CG TYR A 14 11.739 7.074 -1.913 1.00 26.01 C ATOM 101 CD1 TYR A 14 11.841 6.254 -3.079 1.00 28.17 C ATOM 102 CD2 TYR A 14 10.451 7.408 -1.477 1.00 22.42 C ATOM 103 CE1 TYR A 14 10.668 5.849 -3.758 1.00 26.73 C ATOM 104 CE2 TYR A 14 9.305 7.004 -2.160 1.00 26.42 C ATOM 105 CZ TYR A 14 9.426 6.215 -3.295 1.00 27.80 C ATOM 106 OH TYR A 14 8.306 5.639 -3.927 1.00 26.83 O ATOM 0 H TYR A 14 12.596 5.906 0.561 1.00 20.73 H new ATOM 0 HA TYR A 14 14.330 6.215 -1.637 1.00 25.17 H new ATOM 0 HB2 TYR A 14 12.780 8.282 -0.591 1.00 22.53 H new ATOM 0 HB3 TYR A 14 13.455 8.231 -1.996 1.00 22.53 H new ATOM 0 HD1 TYR A 14 12.676 5.988 -3.390 1.00 28.17 H new ATOM 0 HD2 TYR A 14 10.357 7.917 -0.705 1.00 22.42 H new ATOM 0 HE1 TYR A 14 10.738 5.329 -4.526 1.00 26.73 H new ATOM 0 HE2 TYR A 14 8.464 7.262 -1.857 1.00 26.42 H new ATOM 0 HH TYR A 14 7.603 5.927 -3.569 1.00 26.83 H new ATOM 107 N THR A 15 15.981 6.291 0.090 1.00 24.06 N ATOM 108 CA THR A 15 17.029 6.512 1.085 1.00 26.94 C ATOM 109 C THR A 15 17.803 7.806 0.922 1.00 27.19 C ATOM 110 O THR A 15 18.470 8.140 1.856 1.00 25.74 O ATOM 111 CB THR A 15 18.018 5.308 1.177 1.00 27.85 C ATOM 112 OG1 THR A 15 18.696 5.250 -0.109 1.00 24.53 O ATOM 113 CG2 THR A 15 17.303 4.021 1.490 1.00 22.04 C ATOM 0 H THR A 15 16.119 5.633 -0.446 1.00 24.06 H new ATOM 0 HA THR A 15 16.540 6.591 1.919 1.00 26.94 H new ATOM 0 HB THR A 15 18.651 5.430 1.901 1.00 27.85 H new ATOM 0 HG1 THR A 15 18.156 4.994 -0.699 1.00 24.53 H new ATOM 0 HG21 THR A 15 17.946 3.297 1.539 1.00 22.04 H new ATOM 0 HG22 THR A 15 16.844 4.104 2.341 1.00 22.04 H new ATOM 0 HG23 THR A 15 16.657 3.832 0.792 1.00 22.04 H new ATOM 114 N ASN A 16 17.688 8.547 -0.230 1.00 24.32 N ATOM 115 CA AASN A 16 18.365 9.857 -0.354 0.46 24.48 C ATOM 116 CA BASN A 16 18.263 9.747 -0.288 0.54 25.49 C ATOM 117 C ASN A 16 17.362 11.007 0.046 1.00 22.70 C ATOM 118 O ASN A 16 17.624 12.117 -0.304 1.00 20.38 O ATOM 119 CB AASN A 16 18.855 10.159 -1.816 0.46 25.93 C ATOM 120 CB BASN A 16 18.604 9.909 -1.763 0.54 26.38 C ATOM 121 CG AASN A 16 20.239 9.627 -2.102 0.46 23.81 C ATOM 122 CG BASN A 16 17.457 9.499 -2.742 0.54 20.21 C ATOM 123 OD1AASN A 16 20.934 9.294 -1.166 0.46 24.11 O ATOM 124 OD1BASN A 16 16.463 8.845 -2.469 0.54 22.12 O ATOM 125 ND2AASN A 16 20.731 9.764 -3.357 0.46 27.51 N ATOM 126 ND2BASN A 16 17.715 9.837 -4.000 0.54 27.30 N ATOM 0 H AASN A 16 17.235 8.306 -0.921 0.46 24.32 H new ATOM 0 H BASN A 16 17.267 8.301 -0.939 0.54 24.32 H new ATOM 0 HA AASN A 16 19.137 9.821 0.232 0.46 25.49 H new ATOM 0 HA BASN A 16 18.977 9.746 0.369 0.54 25.49 H new ATOM 0 HB2AASN A 16 18.229 9.771 -2.447 0.46 26.38 H new ATOM 0 HB2BASN A 16 18.840 10.835 -1.929 0.54 26.38 H new ATOM 0 HB3AASN A 16 18.847 11.118 -1.962 0.46 26.38 H new ATOM 0 HB3BASN A 16 19.390 9.376 -1.962 0.54 26.38 H new ATOM 0 HD21AASN A 16 21.563 9.613 -3.511 0.46 27.30 H new ATOM 0 HD21BASN A 16 17.180 9.595 -4.629 0.54 27.30 H new ATOM 0 HD22AASN A 16 20.211 10.002 -3.999 0.46 27.30 H new ATOM 0 HD22BASN A 16 18.417 10.298 -4.186 0.54 27.30 H new ATOM 127 N ARG A 17 16.296 10.721 0.796 1.00 19.95 N ATOM 128 CA ARG A 17 15.315 11.764 1.201 1.00 17.54 C ATOM 129 C ARG A 17 15.233 11.809 2.733 1.00 24.65 C ATOM 130 O ARG A 17 14.884 10.788 3.438 1.00 24.52 O ATOM 131 CB ARG A 17 13.892 11.367 0.653 1.00 20.21 C ATOM 132 CG ARG A 17 13.838 11.347 -0.982 1.00 16.42 C ATOM 133 CD ARG A 17 14.094 12.762 -1.509 1.00 19.57 C ATOM 134 NE ARG A 17 14.174 12.724 -2.971 1.00 24.23 N ATOM 135 CZ ARG A 17 15.321 12.694 -3.653 1.00 29.19 C ATOM 136 NH1 ARG A 17 16.500 12.732 -3.013 1.00 21.76 N ATOM 137 NH2 ARG A 17 15.264 12.457 -4.981 1.00 22.63 N ATOM 0 H ARG A 17 16.113 9.932 1.086 1.00 19.95 H new ATOM 0 HA ARG A 17 15.592 12.624 0.849 1.00 17.54 H new ATOM 0 HB2 ARG A 17 13.650 10.491 0.993 1.00 20.21 H new ATOM 0 HB3 ARG A 17 13.232 11.994 0.988 1.00 20.21 H new ATOM 0 HG2 ARG A 17 14.504 10.734 -1.331 1.00 16.42 H new ATOM 0 HG3 ARG A 17 12.973 11.029 -1.284 1.00 16.42 H new ATOM 0 HD2 ARG A 17 13.381 13.357 -1.229 1.00 19.57 H new ATOM 0 HD3 ARG A 17 14.919 13.113 -1.138 1.00 19.57 H new ATOM 0 HE ARG A 17 13.438 12.721 -3.416 1.00 24.23 H new ATOM 0 HH11 ARG A 17 16.522 12.776 -2.154 1.00 21.76 H new ATOM 0 HH12 ARG A 17 17.234 12.712 -3.461 1.00 21.76 H new ATOM 0 HH21 ARG A 17 14.504 12.331 -5.363 1.00 22.63 H new ATOM 0 HH22 ARG A 17 15.988 12.432 -5.445 1.00 22.63 H new ATOM 138 N LEU A 18 15.522 12.980 3.246 1.00 16.88 N ATOM 139 CA LEU A 18 15.398 13.233 4.727 1.00 24.47 C ATOM 140 C LEU A 18 14.051 13.937 4.969 1.00 22.85 C ATOM 141 O LEU A 18 13.607 14.788 4.133 1.00 18.23 O ATOM 142 CB LEU A 18 16.548 14.188 5.193 1.00 19.07 C ATOM 143 CG LEU A 18 17.861 13.414 5.563 1.00 21.96 C ATOM 144 CD1 LEU A 18 18.612 12.979 4.187 1.00 19.15 C ATOM 145 CD2 LEU A 18 18.862 14.507 6.205 1.00 24.07 C ATOM 0 H LEU A 18 15.791 13.656 2.788 1.00 16.88 H new ATOM 0 HA LEU A 18 15.452 12.398 5.217 1.00 24.47 H new ATOM 0 HB2 LEU A 18 16.740 14.826 4.488 1.00 19.07 H new ATOM 0 HB3 LEU A 18 16.249 14.698 5.962 1.00 19.07 H new ATOM 0 HG LEU A 18 17.657 12.658 6.136 1.00 21.96 H new ATOM 0 HD11 LEU A 18 19.427 12.499 4.401 1.00 19.15 H new ATOM 0 HD12 LEU A 18 18.027 12.407 3.666 1.00 19.15 H new ATOM 0 HD13 LEU A 18 18.830 13.772 3.673 1.00 19.15 H new ATOM 0 HD21 LEU A 18 19.695 14.077 6.453 1.00 24.07 H new ATOM 0 HD22 LEU A 18 19.040 15.205 5.555 1.00 24.07 H new ATOM 0 HD23 LEU A 18 18.453 14.897 6.993 1.00 24.07 H new ATOM 146 N ILE A 19 13.515 13.799 6.204 1.00 20.38 N ATOM 147 CA ILE A 19 12.477 14.748 6.613 1.00 19.56 C ATOM 148 C ILE A 19 13.084 16.114 6.748 1.00 17.97 C ATOM 149 O ILE A 19 14.070 16.372 7.481 1.00 21.47 O ATOM 150 CB ILE A 19 11.807 14.156 8.021 1.00 12.28 C ATOM 151 CG1 ILE A 19 11.377 12.687 7.792 1.00 19.11 C ATOM 152 CG2 ILE A 19 10.676 15.172 8.566 1.00 20.56 C ATOM 153 CD1 ILE A 19 10.435 12.214 8.998 1.00 19.42 C ATOM 0 H ILE A 19 13.728 13.198 6.781 1.00 20.38 H new ATOM 0 HA ILE A 19 11.767 14.841 5.959 1.00 19.56 H new ATOM 0 HB ILE A 19 12.447 14.117 8.748 1.00 12.28 H new ATOM 0 HG12 ILE A 19 10.905 12.605 6.949 1.00 19.11 H new ATOM 0 HG13 ILE A 19 12.159 12.116 7.736 1.00 19.11 H new ATOM 0 HG21 ILE A 19 10.292 14.820 9.384 1.00 20.56 H new ATOM 0 HG22 ILE A 19 11.077 16.037 8.743 1.00 20.56 H new ATOM 0 HG23 ILE A 19 9.979 15.269 7.898 1.00 20.56 H new ATOM 0 HD11 ILE A 19 10.165 11.293 8.856 1.00 19.42 H new ATOM 0 HD12 ILE A 19 10.921 12.282 9.835 1.00 19.42 H new ATOM 0 HD13 ILE A 19 9.648 12.780 9.035 1.00 19.42 H new ATOM 154 N ASP A 20 12.412 17.106 6.151 1.00 16.13 N ATOM 155 CA ASP A 20 12.943 18.432 5.956 1.00 20.72 C ATOM 156 C ASP A 20 11.732 19.462 6.097 1.00 16.69 C ATOM 157 O ASP A 20 10.665 19.244 5.475 1.00 19.11 O ATOM 158 CB ASP A 20 13.459 18.428 4.496 1.00 20.35 C ATOM 159 CG ASP A 20 13.926 19.857 4.007 1.00 19.22 C ATOM 160 OD1 ASP A 20 13.122 20.890 4.019 1.00 21.47 O ATOM 161 OD2 ASP A 20 15.118 19.839 3.538 1.00 21.15 O ATOM 0 H ASP A 20 11.614 17.010 5.845 1.00 16.13 H new ATOM 0 HA ASP A 20 13.639 18.675 6.587 1.00 20.72 H new ATOM 0 HB2 ASP A 20 14.200 17.807 4.421 1.00 20.35 H new ATOM 0 HB3 ASP A 20 12.757 18.104 3.910 1.00 20.35 H new ATOM 162 N LEU A 21 11.892 20.513 6.927 1.00 15.74 N ATOM 163 CA LEU A 21 10.833 21.530 7.057 1.00 18.67 C ATOM 164 C LEU A 21 11.249 22.522 5.908 1.00 23.69 C ATOM 165 O LEU A 21 12.254 23.266 5.917 1.00 21.75 O ATOM 166 CB LEU A 21 11.042 22.235 8.383 1.00 13.22 C ATOM 167 CG LEU A 21 10.019 23.352 8.537 1.00 16.12 C ATOM 168 CD1 LEU A 21 8.594 22.852 8.673 1.00 17.07 C ATOM 169 CD2 LEU A 21 10.597 24.027 9.834 1.00 19.74 C ATOM 0 H LEU A 21 12.589 20.651 7.411 1.00 15.74 H new ATOM 0 HA LEU A 21 9.922 21.200 7.011 1.00 18.67 H new ATOM 0 HB2 LEU A 21 10.955 21.602 9.113 1.00 13.22 H new ATOM 0 HB3 LEU A 21 11.940 22.599 8.428 1.00 13.22 H new ATOM 0 HG LEU A 21 9.926 23.946 7.776 1.00 16.12 H new ATOM 0 HD11 LEU A 21 7.993 23.608 8.767 1.00 17.07 H new ATOM 0 HD12 LEU A 21 8.352 22.344 7.883 1.00 17.07 H new ATOM 0 HD13 LEU A 21 8.524 22.284 9.456 1.00 17.07 H new ATOM 0 HD21 LEU A 21 10.043 24.785 10.079 1.00 19.74 H new ATOM 0 HD22 LEU A 21 10.603 23.383 10.559 1.00 19.74 H new ATOM 0 HD23 LEU A 21 11.503 24.331 9.665 1.00 19.74 H new ATOM 170 N THR A 22 10.328 22.664 4.986 1.00 19.27 N ATOM 171 CA THR A 22 10.525 23.524 3.800 1.00 19.10 C ATOM 172 C THR A 22 11.116 24.899 4.112 1.00 18.99 C ATOM 173 O THR A 22 10.545 25.710 4.911 1.00 21.53 O ATOM 174 CB THR A 22 9.160 23.771 3.102 1.00 13.24 C ATOM 175 OG1 THR A 22 8.607 22.511 2.608 1.00 17.55 O ATOM 176 CG2 THR A 22 9.402 24.740 1.813 1.00 20.00 C ATOM 0 H THR A 22 9.563 22.272 5.013 1.00 19.27 H new ATOM 0 HA THR A 22 11.155 23.044 3.239 1.00 19.10 H new ATOM 0 HB THR A 22 8.550 24.172 3.740 1.00 13.24 H new ATOM 0 HG1 THR A 22 8.215 22.112 3.235 1.00 17.55 H new ATOM 0 HG21 THR A 22 8.556 24.903 1.367 1.00 20.00 H new ATOM 0 HG22 THR A 22 9.779 25.584 2.108 1.00 20.00 H new ATOM 0 HG23 THR A 22 10.015 24.311 1.196 1.00 20.00 H new ATOM 177 N GLY A 23 12.237 25.166 3.439 1.00 20.53 N ATOM 178 CA GLY A 23 12.848 26.533 3.407 1.00 16.88 C ATOM 179 C GLY A 23 13.310 27.013 4.811 1.00 23.95 C ATOM 180 O GLY A 23 13.496 28.205 5.018 1.00 21.16 O ATOM 0 H GLY A 23 12.672 24.577 2.988 1.00 20.53 H new ATOM 0 HA2 GLY A 23 13.607 26.530 2.804 1.00 16.88 H new ATOM 0 HA3 GLY A 23 12.204 27.163 3.049 1.00 16.88 H new ATOM 181 N SER A 24 13.505 26.096 5.744 1.00 21.11 N ATOM 182 CA SER A 24 13.768 26.420 7.266 1.00 21.25 C ATOM 183 C SER A 24 12.690 27.526 7.698 1.00 22.84 C ATOM 184 O SER A 24 13.003 28.485 8.445 1.00 24.40 O ATOM 185 CB SER A 24 15.162 27.007 7.368 1.00 17.34 C ATOM 186 OG SER A 24 16.056 25.949 6.993 1.00 17.91 O ATOM 0 H SER A 24 13.500 25.253 5.573 1.00 21.11 H new ATOM 0 HA SER A 24 13.695 25.635 7.831 1.00 21.25 H new ATOM 0 HB2 SER A 24 15.262 27.772 6.781 1.00 17.34 H new ATOM 0 HB3 SER A 24 15.345 27.315 8.269 1.00 17.34 H new ATOM 0 HG SER A 24 16.180 25.968 6.162 1.00 17.91 H new ATOM 187 N ASN A 25 11.465 27.379 7.255 1.00 22.34 N ATOM 188 CA ASN A 25 10.505 28.525 7.450 1.00 24.27 C ATOM 189 C ASN A 25 9.790 28.306 8.761 1.00 18.44 C ATOM 190 O ASN A 25 9.172 27.240 8.945 1.00 20.40 O ATOM 191 CB ASN A 25 9.486 28.567 6.244 1.00 22.51 C ATOM 192 CG ASN A 25 8.666 29.813 6.176 1.00 27.56 C ATOM 193 OD1 ASN A 25 8.320 30.460 7.204 1.00 20.76 O ATOM 194 ND2 ASN A 25 8.472 30.270 4.932 1.00 23.03 N ATOM 0 H ASN A 25 11.151 26.683 6.859 1.00 22.34 H new ATOM 0 HA ASN A 25 10.972 29.375 7.473 1.00 24.27 H new ATOM 0 HB2 ASN A 25 9.979 28.471 5.414 1.00 22.51 H new ATOM 0 HB3 ASN A 25 8.891 27.804 6.310 1.00 22.51 H new ATOM 0 HD21 ASN A 25 8.098 31.034 4.808 1.00 23.03 H new ATOM 0 HD22 ASN A 25 8.722 29.799 4.257 1.00 23.03 H new ATOM 195 N PRO A 26 9.856 29.346 9.684 1.00 18.61 N ATOM 196 CA PRO A 26 9.167 29.105 10.978 1.00 22.91 C ATOM 197 C PRO A 26 7.596 29.266 10.898 1.00 26.18 C ATOM 198 O PRO A 26 6.871 29.066 11.887 1.00 21.79 O ATOM 199 CB PRO A 26 9.808 30.170 11.931 1.00 21.83 C ATOM 200 CG PRO A 26 9.964 31.368 10.999 1.00 16.55 C ATOM 201 CD PRO A 26 10.559 30.623 9.669 1.00 22.52 C ATOM 0 HA PRO A 26 9.284 28.191 11.281 1.00 22.91 H new ATOM 0 HB2 PRO A 26 9.237 30.371 12.689 1.00 21.83 H new ATOM 0 HB3 PRO A 26 10.660 29.873 12.288 1.00 21.83 H new ATOM 0 HG2 PRO A 26 9.121 31.815 10.827 1.00 16.55 H new ATOM 0 HG3 PRO A 26 10.572 32.036 11.353 1.00 16.55 H new ATOM 0 HD2 PRO A 26 10.376 31.127 8.860 1.00 22.52 H new ATOM 0 HD3 PRO A 26 11.521 30.507 9.720 1.00 22.52 H new ATOM 202 N ALA A 27 7.092 29.814 9.791 1.00 22.30 N ATOM 203 CA ALA A 27 5.632 29.942 9.664 1.00 25.96 C ATOM 204 C ALA A 27 4.753 28.712 9.916 1.00 26.53 C ATOM 205 O ALA A 27 5.110 27.572 9.555 1.00 24.61 O ATOM 206 CB ALA A 27 5.212 30.597 8.269 1.00 17.37 C ATOM 0 H ALA A 27 7.552 30.108 9.126 1.00 22.30 H new ATOM 0 HA ALA A 27 5.443 30.523 10.418 1.00 25.96 H new ATOM 0 HB1 ALA A 27 4.246 30.665 8.221 1.00 17.37 H new ATOM 0 HB2 ALA A 27 5.602 31.482 8.196 1.00 17.37 H new ATOM 0 HB3 ALA A 27 5.533 30.042 7.541 1.00 17.37 H new ATOM 207 N GLU A 28 3.607 28.922 10.625 1.00 21.92 N ATOM 208 CA GLU A 28 2.667 27.860 10.726 1.00 20.68 C ATOM 209 C GLU A 28 2.420 27.305 9.305 1.00 17.43 C ATOM 210 O GLU A 28 2.379 28.077 8.283 1.00 25.16 O ATOM 211 CB GLU A 28 1.281 28.360 11.271 1.00 19.32 C ATOM 212 CG GLU A 28 1.477 28.776 12.853 1.00 16.35 C ATOM 213 CD GLU A 28 1.745 27.522 13.654 1.00 23.29 C ATOM 214 OE1 GLU A 28 2.672 27.540 14.408 1.00 23.12 O ATOM 215 OE2 GLU A 28 0.937 26.561 13.648 1.00 22.83 O ATOM 0 H GLU A 28 3.394 29.652 11.026 1.00 21.92 H new ATOM 0 HA GLU A 28 3.026 27.194 11.333 1.00 20.68 H new ATOM 0 HB2 GLU A 28 0.969 29.121 10.756 1.00 19.32 H new ATOM 0 HB3 GLU A 28 0.611 27.664 11.184 1.00 19.32 H new ATOM 0 HG2 GLU A 28 2.214 29.400 12.948 1.00 16.35 H new ATOM 0 HG3 GLU A 28 0.682 29.223 13.184 1.00 16.35 H new ATOM 216 N ASN A 29 2.162 26.020 9.370 1.00 16.70 N ATOM 217 CA ASN A 29 1.701 25.230 8.173 1.00 16.58 C ATOM 218 C ASN A 29 2.687 25.123 7.100 1.00 24.80 C ATOM 219 O ASN A 29 2.401 24.711 5.960 1.00 18.61 O ATOM 220 CB ASN A 29 0.411 25.851 7.660 1.00 20.53 C ATOM 221 CG ASN A 29 -0.749 25.537 8.644 1.00 21.59 C ATOM 222 OD1 ASN A 29 -0.778 24.466 9.202 1.00 24.94 O ATOM 223 ND2 ASN A 29 -1.551 26.488 8.938 1.00 20.02 N ATOM 0 H ASN A 29 2.239 25.555 10.089 1.00 16.70 H new ATOM 0 HA ASN A 29 1.560 24.317 8.467 1.00 16.58 H new ATOM 0 HB2 ASN A 29 0.518 26.811 7.568 1.00 20.53 H new ATOM 0 HB3 ASN A 29 0.202 25.503 6.779 1.00 20.53 H new ATOM 0 HD21 ASN A 29 -2.140 26.378 9.555 1.00 20.02 H new ATOM 0 HD22 ASN A 29 -1.501 27.238 8.519 1.00 20.02 H new ATOM 224 N THR A 30 3.866 25.563 7.401 1.00 16.99 N ATOM 225 CA THR A 30 5.001 25.190 6.417 1.00 22.18 C ATOM 226 C THR A 30 5.066 23.663 6.136 1.00 22.71 C ATOM 227 O THR A 30 5.148 22.802 7.055 1.00 21.70 O ATOM 228 CB THR A 30 6.368 25.692 7.014 1.00 19.67 C ATOM 229 OG1 THR A 30 6.358 27.128 7.170 1.00 19.41 O ATOM 230 CG2 THR A 30 7.598 25.290 6.032 1.00 18.51 C ATOM 0 H THR A 30 4.081 26.037 8.086 1.00 16.99 H new ATOM 0 HA THR A 30 4.821 25.621 5.567 1.00 22.18 H new ATOM 0 HB THR A 30 6.485 25.269 7.879 1.00 19.67 H new ATOM 0 HG1 THR A 30 5.969 27.329 7.887 1.00 19.41 H new ATOM 0 HG21 THR A 30 8.433 25.606 6.413 1.00 18.51 H new ATOM 0 HG22 THR A 30 7.632 24.326 5.934 1.00 18.51 H new ATOM 0 HG23 THR A 30 7.465 25.699 5.162 1.00 18.51 H new ATOM 231 N LEU A 31 5.208 23.232 4.859 1.00 17.56 N ATOM 232 CA LEU A 31 5.110 21.853 4.696 1.00 18.13 C ATOM 233 C LEU A 31 6.349 21.122 5.112 1.00 22.03 C ATOM 234 O LEU A 31 7.423 21.602 4.863 1.00 22.62 O ATOM 235 CB LEU A 31 4.999 21.508 3.192 1.00 18.72 C ATOM 236 CG LEU A 31 3.668 22.089 2.507 1.00 20.43 C ATOM 237 CD1 LEU A 31 3.732 21.730 0.867 1.00 20.61 C ATOM 238 CD2 LEU A 31 2.324 21.509 3.178 1.00 16.75 C ATOM 0 H LEU A 31 5.349 23.709 4.157 1.00 17.56 H new ATOM 0 HA LEU A 31 4.344 21.594 5.231 1.00 18.13 H new ATOM 0 HB2 LEU A 31 5.775 21.859 2.727 1.00 18.72 H new ATOM 0 HB3 LEU A 31 5.017 20.544 3.085 1.00 18.72 H new ATOM 0 HG LEU A 31 3.635 23.049 2.643 1.00 20.43 H new ATOM 0 HD11 LEU A 31 2.937 22.072 0.429 1.00 20.61 H new ATOM 0 HD12 LEU A 31 4.518 22.142 0.476 1.00 20.61 H new ATOM 0 HD13 LEU A 31 3.778 20.768 0.748 1.00 20.61 H new ATOM 0 HD21 LEU A 31 1.550 21.888 2.732 1.00 16.75 H new ATOM 0 HD22 LEU A 31 2.308 20.543 3.088 1.00 16.75 H new ATOM 0 HD23 LEU A 31 2.303 21.746 4.118 1.00 16.75 H new ATOM 239 N ILE A 32 6.138 19.894 5.581 1.00 18.68 N ATOM 240 CA ILE A 32 7.243 18.999 5.826 1.00 14.75 C ATOM 241 C ILE A 32 7.304 18.038 4.611 1.00 19.14 C ATOM 242 O ILE A 32 6.308 17.438 4.242 1.00 16.31 O ATOM 243 CB ILE A 32 6.997 18.201 7.189 1.00 15.46 C ATOM 244 CG1 ILE A 32 7.338 19.231 8.354 1.00 18.39 C ATOM 245 CG2 ILE A 32 8.137 17.029 7.233 1.00 20.63 C ATOM 246 CD1 ILE A 32 6.902 18.800 9.725 1.00 19.84 C ATOM 0 H ILE A 32 5.362 19.569 5.761 1.00 18.68 H new ATOM 0 HA ILE A 32 8.083 19.475 5.922 1.00 14.75 H new ATOM 0 HB ILE A 32 6.100 17.839 7.268 1.00 15.46 H new ATOM 0 HG12 ILE A 32 8.296 19.381 8.366 1.00 18.39 H new ATOM 0 HG13 ILE A 32 6.920 20.082 8.148 1.00 18.39 H new ATOM 0 HG21 ILE A 32 8.035 16.509 8.045 1.00 20.63 H new ATOM 0 HG22 ILE A 32 8.034 16.448 6.463 1.00 20.63 H new ATOM 0 HG23 ILE A 32 9.018 17.434 7.217 1.00 20.63 H new ATOM 0 HD11 ILE A 32 7.147 19.481 10.371 1.00 19.84 H new ATOM 0 HD12 ILE A 32 5.940 18.676 9.735 1.00 19.84 H new ATOM 0 HD13 ILE A 32 7.337 17.964 9.955 1.00 19.84 H new ATOM 247 N ILE A 33 8.544 17.872 4.103 1.00 19.80 N ATOM 248 CA ILE A 33 8.798 17.126 2.823 1.00 15.39 C ATOM 249 C ILE A 33 9.960 16.148 2.875 1.00 20.21 C ATOM 250 O ILE A 33 10.716 16.130 3.814 1.00 16.79 O ATOM 251 CB ILE A 33 9.163 18.207 1.651 1.00 11.94 C ATOM 252 CG1 ILE A 33 10.424 19.039 2.063 1.00 14.49 C ATOM 253 CG2 ILE A 33 8.028 19.260 1.567 1.00 17.46 C ATOM 254 CD1 ILE A 33 10.963 20.244 1.027 1.00 17.87 C ATOM 0 H ILE A 33 9.255 18.179 4.476 1.00 19.80 H new ATOM 0 HA ILE A 33 7.989 16.618 2.656 1.00 15.39 H new ATOM 0 HB ILE A 33 9.297 17.716 0.825 1.00 11.94 H new ATOM 0 HG12 ILE A 33 10.238 19.450 2.922 1.00 14.49 H new ATOM 0 HG13 ILE A 33 11.156 18.417 2.198 1.00 14.49 H new ATOM 0 HG21 ILE A 33 8.236 19.906 0.874 1.00 17.46 H new ATOM 0 HG22 ILE A 33 7.191 18.818 1.355 1.00 17.46 H new ATOM 0 HG23 ILE A 33 7.946 19.716 2.419 1.00 17.46 H new ATOM 0 HD11 ILE A 33 11.745 20.672 1.408 1.00 17.87 H new ATOM 0 HD12 ILE A 33 11.194 19.854 0.169 1.00 17.87 H new ATOM 0 HD13 ILE A 33 10.262 20.903 0.904 1.00 17.87 H new ATOM 255 N GLY A 34 10.103 15.334 1.828 1.00 19.03 N ATOM 256 CA GLY A 34 11.216 14.431 1.674 1.00 18.51 C ATOM 257 C GLY A 34 12.201 15.252 0.807 1.00 20.47 C ATOM 258 O GLY A 34 11.754 15.782 -0.235 1.00 17.57 O ATOM 0 H GLY A 34 9.539 15.299 1.180 1.00 19.03 H new ATOM 0 HA2 GLY A 34 11.604 14.188 2.529 1.00 18.51 H new ATOM 0 HA3 GLY A 34 10.953 13.606 1.237 1.00 18.51 H new ATOM 259 N HIS A 35 13.487 15.400 1.191 1.00 20.39 N ATOM 260 CA HIS A 35 14.398 16.282 0.402 1.00 19.69 C ATOM 261 C HIS A 35 15.843 15.750 0.549 1.00 23.70 C ATOM 262 O HIS A 35 16.178 15.117 1.535 1.00 21.50 O ATOM 263 CB HIS A 35 14.273 17.761 0.928 1.00 20.44 C ATOM 264 CG HIS A 35 14.917 18.810 0.041 1.00 12.32 C ATOM 265 ND1 HIS A 35 16.306 19.064 0.151 1.00 18.62 N ATOM 266 CD2 HIS A 35 14.470 19.694 -0.851 1.00 20.50 C ATOM 267 CE1 HIS A 35 16.646 19.997 -0.699 1.00 25.07 C ATOM 268 NE2 HIS A 35 15.556 20.416 -1.327 1.00 19.09 N ATOM 0 H HIS A 35 13.844 15.019 1.874 1.00 20.39 H new ATOM 0 HA HIS A 35 14.158 16.277 -0.538 1.00 19.69 H new ATOM 0 HB2 HIS A 35 13.333 17.976 1.030 1.00 20.44 H new ATOM 0 HB3 HIS A 35 14.673 17.812 1.810 1.00 20.44 H new ATOM 0 HD1 HIS A 35 16.842 18.666 0.693 1.00 18.62 H new ATOM 0 HD2 HIS A 35 13.584 19.807 -1.110 1.00 20.50 H new ATOM 0 HE1 HIS A 35 17.509 20.314 -0.840 1.00 25.07 H new ATOM 269 N HIS A 36 16.669 15.950 -0.469 1.00 20.65 N ATOM 270 CA HIS A 36 18.077 15.515 -0.383 1.00 22.77 C ATOM 271 C HIS A 36 18.720 16.242 0.821 1.00 20.68 C ATOM 272 O HIS A 36 18.346 17.389 1.157 1.00 21.81 O ATOM 273 CB HIS A 36 18.874 15.902 -1.766 1.00 21.87 C ATOM 274 CG HIS A 36 18.906 17.404 -2.172 1.00 22.83 C ATOM 275 ND1 HIS A 36 19.758 18.367 -1.631 1.00 22.03 N ATOM 276 CD2 HIS A 36 18.238 18.055 -3.160 1.00 17.25 C ATOM 277 CE1 HIS A 36 19.599 19.514 -2.248 1.00 19.13 C ATOM 278 NE2 HIS A 36 18.656 19.341 -3.175 1.00 23.22 N ATOM 0 H HIS A 36 16.449 16.328 -1.210 1.00 20.65 H new ATOM 0 HA HIS A 36 18.128 14.553 -0.266 1.00 22.77 H new ATOM 0 HB2 HIS A 36 19.790 15.594 -1.681 1.00 21.87 H new ATOM 0 HB3 HIS A 36 18.473 15.402 -2.494 1.00 21.87 H new ATOM 0 HD1 HIS A 36 20.309 18.229 -0.985 1.00 22.03 H new ATOM 0 HD2 HIS A 36 17.603 17.681 -3.728 1.00 17.25 H new ATOM 0 HE1 HIS A 36 20.059 20.303 -2.071 1.00 19.13 H new ATOM 279 N LEU A 37 19.764 15.574 1.375 1.00 21.63 N ATOM 280 CA LEU A 37 20.581 16.156 2.417 1.00 20.97 C ATOM 281 C LEU A 37 21.076 17.556 1.912 1.00 25.28 C ATOM 282 O LEU A 37 21.548 17.739 0.732 1.00 27.08 O ATOM 283 CB LEU A 37 21.696 15.165 2.733 1.00 22.59 C ATOM 284 CG LEU A 37 22.830 15.795 3.627 1.00 22.94 C ATOM 285 CD1 LEU A 37 22.211 15.753 5.003 1.00 21.27 C ATOM 286 CD2 LEU A 37 24.077 14.837 3.570 1.00 23.07 C ATOM 0 H LEU A 37 19.999 14.779 1.145 1.00 21.63 H new ATOM 0 HA LEU A 37 20.103 16.314 3.246 1.00 20.97 H new ATOM 0 HB2 LEU A 37 21.321 14.395 3.188 1.00 22.59 H new ATOM 0 HB3 LEU A 37 22.083 14.844 1.904 1.00 22.59 H new ATOM 0 HG LEU A 37 23.119 16.683 3.363 1.00 22.94 H new ATOM 0 HD11 LEU A 37 22.832 16.124 5.649 1.00 21.27 H new ATOM 0 HD12 LEU A 37 21.393 16.274 5.006 1.00 21.27 H new ATOM 0 HD13 LEU A 37 22.009 14.834 5.239 1.00 21.27 H new ATOM 0 HD21 LEU A 37 24.792 15.203 4.114 1.00 23.07 H new ATOM 0 HD22 LEU A 37 23.829 13.962 3.909 1.00 23.07 H new ATOM 0 HD23 LEU A 37 24.380 14.754 2.652 1.00 23.07 H new ATOM 287 N ASN A 38 20.845 18.569 2.736 1.00 17.95 N ATOM 288 CA ASN A 38 21.161 19.884 2.334 1.00 18.39 C ATOM 289 C ASN A 38 22.471 20.491 2.843 1.00 18.83 C ATOM 290 O ASN A 38 22.850 21.599 2.407 1.00 22.37 O ATOM 291 CB ASN A 38 19.946 20.773 2.634 1.00 18.25 C ATOM 292 CG ASN A 38 19.783 21.109 4.112 1.00 21.20 C ATOM 293 OD1 ASN A 38 20.523 20.640 5.014 1.00 21.00 O ATOM 294 ND2 ASN A 38 18.650 21.738 4.366 1.00 15.64 N ATOM 0 H ASN A 38 20.507 18.496 3.524 1.00 17.95 H new ATOM 0 HA ASN A 38 21.348 19.833 1.384 1.00 18.39 H new ATOM 0 HB2 ASN A 38 20.026 21.598 2.130 1.00 18.25 H new ATOM 0 HB3 ASN A 38 19.144 20.327 2.322 1.00 18.25 H new ATOM 0 HD21 ASN A 38 18.389 21.842 5.179 1.00 15.64 H new ATOM 0 HD22 ASN A 38 18.173 22.044 3.719 1.00 15.64 H new ATOM 295 N LYS A 39 23.272 19.626 3.554 1.00 20.34 N ATOM 296 CA ALYS A 39 24.582 20.143 4.010 0.63 22.29 C ATOM 297 CA BLYS A 39 24.672 19.940 3.580 0.37 22.92 C ATOM 298 C LYS A 39 25.196 18.909 4.669 1.00 22.70 C ATOM 299 O LYS A 39 24.468 18.175 5.255 1.00 19.46 O ATOM 300 CB ALYS A 39 24.370 21.249 5.087 0.63 20.31 C ATOM 301 CB BLYS A 39 24.736 21.289 4.265 0.37 21.17 C ATOM 302 CG ALYS A 39 25.642 21.707 5.947 0.63 19.73 C ATOM 303 CG BLYS A 39 24.690 21.213 5.779 0.37 21.16 C ATOM 304 CD ALYS A 39 26.682 22.648 5.048 0.63 21.05 C ATOM 305 CD BLYS A 39 24.989 22.543 6.389 0.37 21.34 C ATOM 306 CE ALYS A 39 28.169 23.031 5.723 0.63 22.37 C ATOM 307 CE BLYS A 39 26.082 22.442 7.298 0.37 18.62 C ATOM 308 NZ ALYS A 39 28.094 23.211 7.202 0.63 26.60 N ATOM 309 NZ BLYS A 39 25.605 22.851 8.535 0.37 21.92 N ATOM 0 H ALYS A 39 23.086 18.812 3.760 0.63 20.34 H new ATOM 0 H BLYS A 39 23.020 18.923 3.980 0.37 20.34 H new ATOM 0 HA ALYS A 39 25.120 20.532 3.302 0.63 22.92 H new ATOM 0 HA BLYS A 39 25.132 19.922 2.726 0.37 22.92 H new ATOM 0 HB2ALYS A 39 24.013 22.034 4.642 0.63 21.17 H new ATOM 0 HB2BLYS A 39 25.552 21.739 3.997 0.37 21.17 H new ATOM 0 HB3ALYS A 39 23.689 20.938 5.704 0.63 21.17 H new ATOM 0 HB3BLYS A 39 23.996 21.835 3.955 0.37 21.17 H new ATOM 0 HG2ALYS A 39 25.345 22.204 6.725 0.63 21.16 H new ATOM 0 HG2BLYS A 39 23.813 20.912 6.065 0.37 21.16 H new ATOM 0 HG3ALYS A 39 26.112 20.924 6.273 0.63 21.16 H new ATOM 0 HG3BLYS A 39 25.332 20.557 6.093 0.37 21.16 H new ATOM 0 HD2ALYS A 39 26.844 22.193 4.207 0.63 21.34 H new ATOM 0 HD2BLYS A 39 25.199 23.184 5.692 0.37 21.34 H new ATOM 0 HD3ALYS A 39 26.227 23.478 4.838 0.63 21.34 H new ATOM 0 HD3BLYS A 39 24.205 22.875 6.853 0.37 21.34 H new ATOM 0 HE2ALYS A 39 28.805 22.328 5.517 0.63 18.62 H new ATOM 0 HE2BLYS A 39 26.413 21.531 7.340 0.37 18.62 H new ATOM 0 HE3ALYS A 39 28.505 23.846 5.317 0.63 18.62 H new ATOM 0 HE3BLYS A 39 26.822 23.000 7.012 0.37 18.62 H new ATOM 0 HZ1ALYS A 39 28.901 23.412 7.518 0.63 21.92 H new ATOM 0 HZ1BLYS A 39 26.259 22.803 9.136 0.37 21.92 H new ATOM 0 HZ2ALYS A 39 27.528 23.871 7.393 0.63 21.92 H new ATOM 0 HZ2BLYS A 39 25.315 23.691 8.479 0.37 21.92 H new ATOM 0 HZ3ALYS A 39 27.808 22.457 7.579 0.63 21.92 H new ATOM 0 HZ3BLYS A 39 24.934 22.322 8.785 0.37 21.92 H new ATOM 310 N THR A 40 26.483 18.589 4.439 1.00 21.10 N ATOM 311 CA THR A 40 27.155 17.506 5.186 1.00 21.24 C ATOM 312 C THR A 40 27.629 18.092 6.557 1.00 28.10 C ATOM 313 O THR A 40 28.051 19.206 6.637 1.00 18.88 O ATOM 314 CB THR A 40 28.451 16.904 4.378 1.00 22.29 C ATOM 315 OG1 THR A 40 29.340 18.003 4.004 1.00 17.58 O ATOM 316 CG2 THR A 40 27.924 16.243 3.060 1.00 23.45 C ATOM 0 H THR A 40 26.981 18.984 3.859 1.00 21.10 H new ATOM 0 HA THR A 40 26.527 16.776 5.306 1.00 21.24 H new ATOM 0 HB THR A 40 28.926 16.266 4.933 1.00 22.29 H new ATOM 0 HG1 THR A 40 30.003 17.698 3.588 1.00 17.58 H new ATOM 0 HG21 THR A 40 28.671 15.877 2.560 1.00 23.45 H new ATOM 0 HG22 THR A 40 27.303 15.531 3.281 1.00 23.45 H new ATOM 0 HG23 THR A 40 27.471 16.911 2.522 1.00 23.45 H new ATOM 317 N PRO A 41 27.718 17.250 7.601 1.00 20.80 N ATOM 318 CA PRO A 41 27.413 15.839 7.538 1.00 23.56 C ATOM 319 C PRO A 41 25.902 15.568 7.788 1.00 25.05 C ATOM 320 O PRO A 41 25.407 14.519 7.441 1.00 21.22 O ATOM 321 CB PRO A 41 28.170 15.234 8.754 1.00 24.68 C ATOM 322 CG PRO A 41 28.166 16.452 9.705 1.00 18.35 C ATOM 323 CD PRO A 41 28.438 17.624 8.826 1.00 26.34 C ATOM 0 HA PRO A 41 27.653 15.476 6.671 1.00 23.56 H new ATOM 0 HB2 PRO A 41 27.712 14.467 9.132 1.00 24.68 H new ATOM 0 HB3 PRO A 41 29.067 14.945 8.526 1.00 24.68 H new ATOM 0 HG2 PRO A 41 27.313 16.542 10.158 1.00 18.35 H new ATOM 0 HG3 PRO A 41 28.844 16.363 10.393 1.00 18.35 H new ATOM 0 HD2 PRO A 41 28.103 18.451 9.207 1.00 26.34 H new ATOM 0 HD3 PRO A 41 29.387 17.748 8.667 1.00 26.34 H new ATOM 324 N SER A 42 25.222 16.493 8.401 1.00 21.47 N ATOM 325 CA SER A 42 23.835 16.244 8.923 1.00 23.43 C ATOM 326 C SER A 42 22.826 17.249 8.610 1.00 20.86 C ATOM 327 O SER A 42 21.875 17.408 9.393 1.00 27.45 O ATOM 328 CB SER A 42 23.939 16.164 10.445 1.00 25.62 C ATOM 329 OG SER A 42 24.819 15.056 10.708 1.00 27.71 O ATOM 0 H SER A 42 25.516 17.288 8.544 1.00 21.47 H new ATOM 0 HA SER A 42 23.533 15.433 8.484 1.00 23.43 H new ATOM 0 HB2 SER A 42 24.293 16.988 10.815 1.00 25.62 H new ATOM 0 HB3 SER A 42 23.068 16.023 10.848 1.00 25.62 H new ATOM 0 HG SER A 42 24.365 14.358 10.821 1.00 27.71 H new ATOM 330 N GLY A 43 23.114 18.073 7.605 1.00 21.78 N ATOM 331 CA GLY A 43 22.161 19.097 7.187 1.00 19.86 C ATOM 332 C GLY A 43 22.132 20.298 8.085 1.00 22.66 C ATOM 333 O GLY A 43 22.873 20.375 9.078 1.00 26.60 O ATOM 0 H GLY A 43 23.848 18.056 7.157 1.00 21.78 H new ATOM 0 HA2 GLY A 43 22.380 19.382 6.286 1.00 19.86 H new ATOM 0 HA3 GLY A 43 21.274 18.707 7.153 1.00 19.86 H new ATOM 334 N TYR A 44 21.407 21.320 7.617 1.00 22.88 N ATOM 335 CA TYR A 44 21.078 22.515 8.386 1.00 21.72 C ATOM 336 C TYR A 44 20.031 22.054 9.460 1.00 20.02 C ATOM 337 O TYR A 44 19.585 20.879 9.383 1.00 19.58 O ATOM 338 CB TYR A 44 20.392 23.534 7.463 1.00 22.68 C ATOM 339 CG TYR A 44 21.502 24.193 6.516 1.00 20.01 C ATOM 340 CD1 TYR A 44 22.426 24.991 6.986 1.00 31.87 C ATOM 341 CD2 TYR A 44 21.497 23.913 5.153 1.00 21.38 C ATOM 342 CE1 TYR A 44 23.441 25.597 6.103 1.00 32.70 C ATOM 343 CE2 TYR A 44 22.427 24.456 4.293 1.00 27.06 C ATOM 344 CZ TYR A 44 23.408 25.296 4.745 1.00 28.20 C ATOM 345 OH TYR A 44 24.313 25.951 3.906 1.00 29.42 O ATOM 0 H TYR A 44 21.086 21.333 6.819 1.00 22.88 H new ATOM 0 HA TYR A 44 21.868 22.915 8.781 1.00 21.72 H new ATOM 0 HB2 TYR A 44 19.709 23.098 6.929 1.00 22.68 H new ATOM 0 HB3 TYR A 44 19.948 24.218 7.988 1.00 22.68 H new ATOM 0 HD1 TYR A 44 22.443 25.180 7.896 1.00 31.87 H new ATOM 0 HD2 TYR A 44 20.847 23.342 4.812 1.00 21.38 H new ATOM 0 HE1 TYR A 44 24.089 26.168 6.447 1.00 32.70 H new ATOM 0 HE2 TYR A 44 22.387 24.247 3.388 1.00 27.06 H new ATOM 0 HH TYR A 44 24.201 25.690 3.115 1.00 29.42 H new ATOM 346 N GLY A 45 19.561 23.019 10.281 1.00 21.50 N ATOM 347 CA GLY A 45 18.636 22.601 11.342 1.00 25.35 C ATOM 348 C GLY A 45 17.271 22.056 10.928 1.00 25.33 C ATOM 349 O GLY A 45 16.486 21.578 11.784 1.00 18.05 O ATOM 0 H GLY A 45 19.751 23.857 10.243 1.00 21.50 H new ATOM 0 HA2 GLY A 45 19.080 21.920 11.872 1.00 25.35 H new ATOM 0 HA3 GLY A 45 18.488 23.362 11.924 1.00 25.35 H new ATOM 350 N ASN A 46 16.828 22.507 9.765 1.00 22.40 N ATOM 351 CA ASN A 46 15.564 22.049 9.259 1.00 21.31 C ATOM 352 C ASN A 46 15.565 20.574 8.840 1.00 24.19 C ATOM 353 O ASN A 46 14.533 20.120 8.378 1.00 21.51 O ATOM 354 CB ASN A 46 15.128 23.036 8.106 1.00 18.16 C ATOM 355 CG ASN A 46 15.945 22.814 6.819 1.00 19.64 C ATOM 356 OD1 ASN A 46 17.168 22.760 6.824 1.00 24.61 O ATOM 357 ND2 ASN A 46 15.238 22.631 5.698 1.00 17.79 N ATOM 0 H ASN A 46 17.242 23.071 9.265 1.00 22.40 H new ATOM 0 HA ASN A 46 14.904 22.069 9.970 1.00 21.31 H new ATOM 0 HB2 ASN A 46 14.185 22.913 7.915 1.00 18.16 H new ATOM 0 HB3 ASN A 46 15.240 23.952 8.405 1.00 18.16 H new ATOM 0 HD21 ASN A 46 15.642 22.471 4.956 1.00 17.79 H new ATOM 0 HD22 ASN A 46 14.379 22.674 5.719 1.00 17.79 H new ATOM 358 N GLN A 47 16.708 19.821 8.914 1.00 15.78 N ATOM 359 CA GLN A 47 16.717 18.425 8.673 1.00 17.13 C ATOM 360 C GLN A 47 17.189 17.657 9.881 1.00 18.89 C ATOM 361 O GLN A 47 17.433 16.508 9.808 1.00 21.95 O ATOM 362 CB GLN A 47 17.642 18.064 7.524 1.00 19.15 C ATOM 363 CG GLN A 47 17.241 18.884 6.192 1.00 16.20 C ATOM 364 CD GLN A 47 17.993 18.236 4.950 1.00 21.22 C ATOM 365 OE1 GLN A 47 19.147 17.840 5.134 1.00 18.93 O ATOM 366 NE2 GLN A 47 17.404 18.277 3.693 1.00 19.78 N ATOM 0 H GLN A 47 17.479 20.147 9.109 1.00 15.78 H new ATOM 0 HA GLN A 47 15.802 18.187 8.458 1.00 17.13 H new ATOM 0 HB2 GLN A 47 18.560 18.261 7.767 1.00 19.15 H new ATOM 0 HB3 GLN A 47 17.593 17.111 7.350 1.00 19.15 H new ATOM 0 HG2 GLN A 47 16.281 18.856 6.056 1.00 16.20 H new ATOM 0 HG3 GLN A 47 17.487 19.818 6.285 1.00 16.20 H new ATOM 0 HE21 GLN A 47 16.597 18.560 3.606 1.00 19.78 H new ATOM 0 HE22 GLN A 47 17.847 18.020 3.002 1.00 19.78 H new ATOM 367 N GLN A 48 17.150 18.357 11.000 1.00 16.70 N ATOM 368 CA GLN A 48 17.478 17.664 12.272 1.00 20.16 C ATOM 369 C GLN A 48 16.208 17.749 13.129 1.00 16.27 C ATOM 370 O GLN A 48 15.725 18.844 13.394 1.00 20.81 O ATOM 371 CB GLN A 48 18.586 18.473 12.932 1.00 20.86 C ATOM 372 CG GLN A 48 19.890 18.419 11.957 1.00 24.14 C ATOM 373 CD GLN A 48 21.045 19.235 12.546 1.00 28.76 C ATOM 374 OE1 GLN A 48 20.959 19.645 13.664 1.00 26.89 O ATOM 375 NE2 GLN A 48 22.133 19.443 11.791 1.00 27.37 N ATOM 0 H GLN A 48 16.949 19.191 11.065 1.00 16.70 H new ATOM 0 HA GLN A 48 17.758 16.743 12.153 1.00 20.16 H new ATOM 0 HB2 GLN A 48 18.302 19.390 13.069 1.00 20.86 H new ATOM 0 HB3 GLN A 48 18.799 18.109 13.805 1.00 20.86 H new ATOM 0 HG2 GLN A 48 20.169 17.498 11.834 1.00 24.14 H new ATOM 0 HG3 GLN A 48 19.658 18.765 11.081 1.00 24.14 H new ATOM 0 HE21 GLN A 48 22.165 19.135 10.989 1.00 27.37 H new ATOM 0 HE22 GLN A 48 22.799 19.885 12.109 1.00 27.37 H new ATOM 376 N TRP A 49 15.938 16.649 13.826 1.00 22.18 N ATOM 377 CA TRP A 49 14.691 16.546 14.601 1.00 21.85 C ATOM 378 C TRP A 49 15.005 15.991 15.966 1.00 23.03 C ATOM 379 O TRP A 49 15.650 14.945 16.079 1.00 21.98 O ATOM 380 CB TRP A 49 13.727 15.532 13.876 1.00 19.35 C ATOM 381 CG TRP A 49 13.350 16.126 12.484 1.00 20.75 C ATOM 382 CD1 TRP A 49 14.016 15.857 11.244 1.00 14.39 C ATOM 383 CD2 TRP A 49 12.387 17.155 12.226 1.00 19.87 C ATOM 384 NE1 TRP A 49 13.462 16.735 10.301 1.00 17.78 N ATOM 385 CE2 TRP A 49 12.481 17.490 10.830 1.00 22.31 C ATOM 386 CE3 TRP A 49 11.437 17.841 13.026 1.00 26.11 C ATOM 387 CZ2 TRP A 49 11.680 18.452 10.211 1.00 20.32 C ATOM 388 CZ3 TRP A 49 10.600 18.819 12.427 1.00 16.76 C ATOM 389 CH2 TRP A 49 10.724 19.110 11.040 1.00 19.87 C ATOM 0 H TRP A 49 16.450 15.959 13.867 1.00 22.18 H new ATOM 0 HA TRP A 49 14.279 17.421 14.676 1.00 21.85 H new ATOM 0 HB2 TRP A 49 14.160 14.671 13.770 1.00 19.35 H new ATOM 0 HB3 TRP A 49 12.929 15.385 14.408 1.00 19.35 H new ATOM 0 HD1 TRP A 49 14.683 15.226 11.094 1.00 14.39 H new ATOM 0 HE1 TRP A 49 13.719 16.785 9.482 1.00 17.78 H new ATOM 0 HE3 TRP A 49 11.363 17.652 13.934 1.00 26.11 H new ATOM 0 HZ2 TRP A 49 11.765 18.653 9.307 1.00 20.32 H new ATOM 0 HZ3 TRP A 49 9.970 19.270 12.942 1.00 16.76 H new ATOM 0 HH2 TRP A 49 10.164 19.749 10.662 1.00 19.87 H new ATOM 390 N THR A 50 14.591 16.748 16.982 1.00 23.70 N ATOM 391 CA THR A 50 14.775 16.306 18.352 1.00 23.16 C ATOM 392 C THR A 50 13.481 15.643 18.835 1.00 22.34 C ATOM 393 O THR A 50 12.364 16.229 18.738 1.00 23.15 O ATOM 394 CB THR A 50 15.094 17.538 19.156 1.00 25.12 C ATOM 395 OG1 THR A 50 16.252 18.241 18.569 1.00 25.80 O ATOM 396 CG2 THR A 50 15.274 17.169 20.639 1.00 28.71 C ATOM 0 H THR A 50 14.206 17.512 16.896 1.00 23.70 H new ATOM 0 HA THR A 50 15.490 15.656 18.441 1.00 23.16 H new ATOM 0 HB THR A 50 14.353 18.163 19.122 1.00 25.12 H new ATOM 0 HG1 THR A 50 16.940 17.766 18.651 1.00 25.80 H new ATOM 0 HG21 THR A 50 15.479 17.968 21.149 1.00 28.71 H new ATOM 0 HG22 THR A 50 14.455 16.772 20.976 1.00 28.71 H new ATOM 0 HG23 THR A 50 16.001 16.533 20.729 1.00 28.71 H new ATOM 397 N LEU A 51 13.674 14.465 19.408 1.00 23.45 N ATOM 398 CA LEU A 51 12.668 13.653 19.931 1.00 27.65 C ATOM 399 C LEU A 51 12.680 13.752 21.458 1.00 27.45 C ATOM 400 O LEU A 51 13.786 13.634 22.130 1.00 21.87 O ATOM 401 CB LEU A 51 12.925 12.175 19.564 1.00 28.40 C ATOM 402 CG LEU A 51 13.278 11.835 18.120 1.00 37.78 C ATOM 403 CD1 LEU A 51 13.144 10.312 17.815 1.00 33.80 C ATOM 404 CD2 LEU A 51 12.470 12.729 17.196 1.00 29.68 C ATOM 0 H LEU A 51 14.457 14.121 19.494 1.00 23.45 H new ATOM 0 HA LEU A 51 11.819 13.947 19.566 1.00 27.65 H new ATOM 0 HB2 LEU A 51 13.645 11.852 20.128 1.00 28.40 H new ATOM 0 HB3 LEU A 51 12.131 11.670 19.801 1.00 28.40 H new ATOM 0 HG LEU A 51 14.217 12.018 17.962 1.00 37.78 H new ATOM 0 HD11 LEU A 51 13.378 10.146 16.888 1.00 33.80 H new ATOM 0 HD12 LEU A 51 13.741 9.812 18.394 1.00 33.80 H new ATOM 0 HD13 LEU A 51 12.230 10.029 17.973 1.00 33.80 H new ATOM 0 HD21 LEU A 51 12.687 12.521 16.274 1.00 29.68 H new ATOM 0 HD22 LEU A 51 11.524 12.580 17.347 1.00 29.68 H new ATOM 0 HD23 LEU A 51 12.683 13.658 17.376 1.00 29.68 H new ATOM 405 N VAL A 52 11.483 13.983 21.963 1.00 26.27 N ATOM 406 CA VAL A 52 11.259 14.017 23.403 1.00 26.09 C ATOM 407 C VAL A 52 10.207 12.894 23.569 1.00 25.56 C ATOM 408 O VAL A 52 9.122 12.810 22.935 1.00 21.60 O ATOM 409 CB VAL A 52 10.738 15.367 23.924 1.00 26.06 C ATOM 410 CG1 VAL A 52 10.244 15.273 25.411 1.00 25.25 C ATOM 411 CG2 VAL A 52 11.772 16.421 23.801 1.00 23.08 C ATOM 0 H VAL A 52 10.779 14.124 21.489 1.00 26.27 H new ATOM 0 HA VAL A 52 12.075 13.895 23.914 1.00 26.09 H new ATOM 0 HB VAL A 52 9.978 15.605 23.371 1.00 26.06 H new ATOM 0 HG11 VAL A 52 9.924 16.142 25.702 1.00 25.25 H new ATOM 0 HG12 VAL A 52 9.523 14.627 25.473 1.00 25.25 H new ATOM 0 HG13 VAL A 52 10.979 14.993 25.979 1.00 25.25 H new ATOM 0 HG21 VAL A 52 11.420 17.261 24.135 1.00 23.08 H new ATOM 0 HG22 VAL A 52 12.553 16.170 24.318 1.00 23.08 H new ATOM 0 HG23 VAL A 52 12.021 16.523 22.869 1.00 23.08 H new ATOM 412 N GLN A 53 10.498 12.052 24.545 1.00 22.57 N ATOM 413 CA GLN A 53 9.697 10.850 24.804 1.00 25.04 C ATOM 414 C GLN A 53 8.935 10.850 26.159 1.00 27.33 C ATOM 415 O GLN A 53 9.483 11.363 27.165 1.00 24.23 O ATOM 416 CB GLN A 53 10.647 9.658 24.862 1.00 23.24 C ATOM 417 CG GLN A 53 9.984 8.201 24.884 1.00 28.28 C ATOM 418 CD GLN A 53 10.974 7.096 25.207 1.00 28.95 C ATOM 419 OE1 GLN A 53 12.130 7.330 25.443 1.00 28.76 O ATOM 420 NE2 GLN A 53 10.507 5.904 25.175 1.00 33.78 N ATOM 0 H GLN A 53 11.163 12.154 25.080 1.00 22.57 H new ATOM 0 HA GLN A 53 9.039 10.813 24.093 1.00 25.04 H new ATOM 0 HB2 GLN A 53 11.240 9.708 24.096 1.00 23.24 H new ATOM 0 HB3 GLN A 53 11.199 9.750 25.655 1.00 23.24 H new ATOM 0 HG2 GLN A 53 9.269 8.188 25.539 1.00 28.28 H new ATOM 0 HG3 GLN A 53 9.581 8.023 24.020 1.00 28.28 H new ATOM 0 HE21 GLN A 53 9.675 5.773 25.003 1.00 33.78 H new ATOM 0 HE22 GLN A 53 11.026 5.235 25.326 1.00 33.78 H new ATOM 421 N LEU A 54 7.676 10.312 26.123 1.00 23.26 N ATOM 422 CA LEU A 54 6.853 10.117 27.352 1.00 25.63 C ATOM 423 C LEU A 54 7.387 8.731 27.953 1.00 25.36 C ATOM 424 O LEU A 54 7.457 7.771 27.303 1.00 24.95 O ATOM 425 CB LEU A 54 5.378 10.081 27.003 1.00 21.73 C ATOM 426 CG LEU A 54 4.431 9.689 28.226 1.00 20.05 C ATOM 427 CD1 LEU A 54 4.743 10.749 29.400 1.00 20.00 C ATOM 428 CD2 LEU A 54 2.950 9.693 27.704 1.00 18.77 C ATOM 0 H LEU A 54 7.289 10.057 25.399 1.00 23.26 H new ATOM 0 HA LEU A 54 6.937 10.837 27.997 1.00 25.63 H new ATOM 0 HB2 LEU A 54 5.113 10.952 26.667 1.00 21.73 H new ATOM 0 HB3 LEU A 54 5.241 9.446 26.283 1.00 21.73 H new ATOM 0 HG LEU A 54 4.584 8.802 28.589 1.00 20.05 H new ATOM 0 HD11 LEU A 54 4.188 10.551 30.171 1.00 20.00 H new ATOM 0 HD12 LEU A 54 5.678 10.688 29.651 1.00 20.00 H new ATOM 0 HD13 LEU A 54 4.551 11.646 29.086 1.00 20.00 H new ATOM 0 HD21 LEU A 54 2.350 9.457 28.429 1.00 18.77 H new ATOM 0 HD22 LEU A 54 2.725 10.577 27.374 1.00 18.77 H new ATOM 0 HD23 LEU A 54 2.858 9.047 26.986 1.00 18.77 H new ATOM 429 N PRO A 55 8.117 8.782 29.081 1.00 21.90 N ATOM 430 CA PRO A 55 8.596 7.488 29.576 1.00 23.55 C ATOM 431 C PRO A 55 7.667 6.315 29.616 1.00 26.27 C ATOM 432 O PRO A 55 6.452 6.429 29.965 1.00 29.81 O ATOM 433 CB PRO A 55 9.262 7.849 30.985 1.00 22.87 C ATOM 434 CG PRO A 55 9.589 9.328 30.755 1.00 23.77 C ATOM 435 CD PRO A 55 8.269 9.834 30.075 1.00 16.01 C ATOM 0 HA PRO A 55 9.206 7.115 28.921 1.00 23.55 H new ATOM 0 HB2 PRO A 55 8.653 7.715 31.728 1.00 22.87 H new ATOM 0 HB3 PRO A 55 10.053 7.318 31.168 1.00 22.87 H new ATOM 0 HG2 PRO A 55 9.775 9.795 31.585 1.00 23.77 H new ATOM 0 HG3 PRO A 55 10.364 9.447 30.183 1.00 23.77 H new ATOM 0 HD2 PRO A 55 7.522 9.879 30.692 1.00 16.01 H new ATOM 0 HD3 PRO A 55 8.364 10.714 29.679 1.00 16.01 H new ATOM 436 N HIS A 56 8.267 5.146 29.337 1.00 23.89 N ATOM 437 CA HIS A 56 7.534 3.866 29.341 1.00 28.81 C ATOM 438 C HIS A 56 6.440 3.783 28.300 1.00 27.92 C ATOM 439 O HIS A 56 5.418 3.071 28.477 1.00 24.23 O ATOM 440 CB HIS A 56 6.878 3.585 30.702 1.00 28.69 C ATOM 441 CG HIS A 56 7.869 3.460 31.780 1.00 35.77 C ATOM 442 ND1 HIS A 56 8.257 2.245 32.307 1.00 35.93 N ATOM 443 CD2 HIS A 56 8.660 4.401 32.335 1.00 33.19 C ATOM 444 CE1 HIS A 56 9.262 2.455 33.145 1.00 41.24 C ATOM 445 NE2 HIS A 56 9.522 3.754 33.170 1.00 37.57 N ATOM 0 H HIS A 56 9.101 5.073 29.142 1.00 23.89 H new ATOM 0 HA HIS A 56 8.217 3.208 29.138 1.00 28.81 H new ATOM 0 HB2 HIS A 56 6.259 4.301 30.915 1.00 28.69 H new ATOM 0 HB3 HIS A 56 6.358 2.768 30.646 1.00 28.69 H new ATOM 0 HD2 HIS A 56 8.624 5.317 32.178 1.00 33.19 H new ATOM 0 HE1 HIS A 56 9.709 1.801 33.633 1.00 41.24 H new ATOM 0 HE2 HIS A 56 10.137 4.130 33.639 1.00 37.57 H new ATOM 446 N THR A 57 6.558 4.605 27.264 1.00 23.02 N ATOM 447 CA THR A 57 5.578 4.490 26.183 1.00 20.98 C ATOM 448 C THR A 57 6.432 4.780 24.853 1.00 25.70 C ATOM 449 O THR A 57 7.626 5.024 24.941 1.00 23.73 O ATOM 450 CB THR A 57 4.527 5.700 26.164 1.00 24.59 C ATOM 451 OG1 THR A 57 5.187 6.931 25.800 1.00 19.87 O ATOM 452 CG2 THR A 57 3.993 5.934 27.587 1.00 24.05 C ATOM 0 H THR A 57 7.164 5.208 27.165 1.00 23.02 H new ATOM 0 HA THR A 57 5.120 3.639 26.268 1.00 20.98 H new ATOM 0 HB THR A 57 3.825 5.471 25.536 1.00 24.59 H new ATOM 0 HG1 THR A 57 5.835 7.065 26.317 1.00 19.87 H new ATOM 0 HG21 THR A 57 3.357 6.666 27.578 1.00 24.05 H new ATOM 0 HG22 THR A 57 3.555 5.129 27.905 1.00 24.05 H new ATOM 0 HG23 THR A 57 4.730 6.155 28.177 1.00 24.05 H new ATOM 453 N THR A 58 5.785 4.574 23.715 1.00 22.07 N ATOM 454 CA THR A 58 6.468 4.941 22.404 1.00 27.24 C ATOM 455 C THR A 58 5.909 6.241 21.933 1.00 23.05 C ATOM 456 O THR A 58 5.846 6.509 20.679 1.00 24.95 O ATOM 457 CB THR A 58 6.172 3.812 21.318 1.00 19.59 C ATOM 458 OG1 THR A 58 4.801 3.661 21.111 1.00 26.46 O ATOM 459 CG2 THR A 58 6.750 2.428 21.835 1.00 26.11 C ATOM 0 H THR A 58 4.994 4.244 23.644 1.00 22.07 H new ATOM 0 HA THR A 58 7.427 5.015 22.533 1.00 27.24 H new ATOM 0 HB THR A 58 6.592 4.076 20.485 1.00 19.59 H new ATOM 0 HG1 THR A 58 4.570 4.098 20.432 1.00 26.46 H new ATOM 0 HG21 THR A 58 6.572 1.737 21.178 1.00 26.11 H new ATOM 0 HG22 THR A 58 7.707 2.507 21.970 1.00 26.11 H new ATOM 0 HG23 THR A 58 6.324 2.192 22.674 1.00 26.11 H new ATOM 460 N ILE A 59 5.495 7.116 22.856 1.00 20.89 N ATOM 461 CA ILE A 59 4.912 8.420 22.320 1.00 23.48 C ATOM 462 C ILE A 59 5.969 9.496 22.397 1.00 23.93 C ATOM 463 O ILE A 59 6.599 9.740 23.421 1.00 23.14 O ATOM 464 CB ILE A 59 3.614 8.901 23.181 1.00 19.93 C ATOM 465 CG1 ILE A 59 2.607 7.787 23.280 1.00 22.09 C ATOM 466 CG2 ILE A 59 3.045 10.217 22.608 1.00 20.26 C ATOM 467 CD1 ILE A 59 2.175 7.027 21.968 1.00 21.52 C ATOM 0 H ILE A 59 5.524 7.020 23.710 1.00 20.89 H new ATOM 0 HA ILE A 59 4.631 8.270 21.404 1.00 23.48 H new ATOM 0 HB ILE A 59 3.878 9.101 24.093 1.00 19.93 H new ATOM 0 HG12 ILE A 59 2.960 7.127 23.897 1.00 22.09 H new ATOM 0 HG13 ILE A 59 1.805 8.153 23.684 1.00 22.09 H new ATOM 0 HG21 ILE A 59 2.274 10.491 23.129 1.00 20.26 H new ATOM 0 HG22 ILE A 59 3.724 10.908 22.649 1.00 20.26 H new ATOM 0 HG23 ILE A 59 2.778 10.080 21.685 1.00 20.26 H new ATOM 0 HD11 ILE A 59 1.526 6.341 22.190 1.00 21.52 H new ATOM 0 HD12 ILE A 59 1.780 7.656 21.344 1.00 21.52 H new ATOM 0 HD13 ILE A 59 2.953 6.615 21.561 1.00 21.52 H new ATOM 468 N TYR A 60 6.071 10.302 21.344 1.00 21.78 N ATOM 469 CA TYR A 60 7.055 11.307 21.304 1.00 21.07 C ATOM 470 C TYR A 60 6.531 12.645 20.689 1.00 21.51 C ATOM 471 O TYR A 60 5.453 12.650 20.134 1.00 24.61 O ATOM 472 CB TYR A 60 8.157 10.911 20.313 1.00 22.31 C ATOM 473 CG TYR A 60 8.950 9.675 20.717 1.00 21.77 C ATOM 474 CD1 TYR A 60 8.456 8.416 20.515 1.00 24.40 C ATOM 475 CD2 TYR A 60 10.223 9.831 21.265 1.00 25.61 C ATOM 476 CE1 TYR A 60 9.185 7.283 20.843 1.00 20.94 C ATOM 477 CE2 TYR A 60 10.983 8.710 21.559 1.00 29.28 C ATOM 478 CZ TYR A 60 10.464 7.457 21.350 1.00 31.24 C ATOM 479 OH TYR A 60 11.278 6.395 21.698 1.00 31.30 O ATOM 0 H TYR A 60 5.565 10.263 20.650 1.00 21.78 H new ATOM 0 HA TYR A 60 7.343 11.413 22.224 1.00 21.07 H new ATOM 0 HB2 TYR A 60 7.755 10.754 19.444 1.00 22.31 H new ATOM 0 HB3 TYR A 60 8.769 11.656 20.212 1.00 22.31 H new ATOM 0 HD1 TYR A 60 7.607 8.317 20.147 1.00 24.40 H new ATOM 0 HD2 TYR A 60 10.560 10.682 21.432 1.00 25.61 H new ATOM 0 HE1 TYR A 60 8.827 6.433 20.727 1.00 20.94 H new ATOM 0 HE2 TYR A 60 11.844 8.807 21.898 1.00 29.28 H new ATOM 0 HH TYR A 60 12.068 6.665 21.790 1.00 31.30 H new ATOM 480 N THR A 61 7.246 13.672 20.994 1.00 21.31 N ATOM 481 CA THR A 61 7.149 14.949 20.176 1.00 24.87 C ATOM 482 C THR A 61 8.395 15.005 19.277 1.00 23.33 C ATOM 483 O THR A 61 9.449 14.400 19.601 1.00 22.99 O ATOM 484 CB THR A 61 7.053 16.233 20.936 1.00 23.07 C ATOM 485 OG1 THR A 61 8.169 16.461 21.810 1.00 23.31 O ATOM 486 CG2 THR A 61 5.638 16.277 21.756 1.00 24.19 C ATOM 0 H THR A 61 7.801 13.703 21.651 1.00 21.31 H new ATOM 0 HA THR A 61 6.308 14.892 19.696 1.00 24.87 H new ATOM 0 HB THR A 61 7.078 16.956 20.290 1.00 23.07 H new ATOM 0 HG1 THR A 61 7.896 16.790 22.533 1.00 23.31 H new ATOM 0 HG21 THR A 61 5.575 17.110 22.249 1.00 24.19 H new ATOM 0 HG22 THR A 61 4.899 16.216 21.130 1.00 24.19 H new ATOM 0 HG23 THR A 61 5.599 15.531 22.375 1.00 24.19 H new ATOM 487 N MET A 62 8.249 15.621 18.070 1.00 18.47 N ATOM 488 CA MET A 62 9.397 15.794 17.195 1.00 23.47 C ATOM 489 C MET A 62 9.508 17.296 16.894 1.00 22.73 C ATOM 490 O MET A 62 8.522 17.979 16.593 1.00 21.15 O ATOM 491 CB MET A 62 9.230 15.055 15.879 1.00 18.26 C ATOM 492 CG MET A 62 9.050 13.584 15.960 1.00 18.50 C ATOM 493 SD MET A 62 8.527 12.852 14.366 1.00 22.73 S ATOM 494 CE MET A 62 10.018 13.261 13.352 1.00 24.11 C ATOM 0 H MET A 62 7.507 15.931 17.765 1.00 18.47 H new ATOM 0 HA MET A 62 10.186 15.439 17.634 1.00 23.47 H new ATOM 0 HB2 MET A 62 8.464 15.429 15.417 1.00 18.26 H new ATOM 0 HB3 MET A 62 10.009 15.235 15.329 1.00 18.26 H new ATOM 0 HG2 MET A 62 9.883 13.174 16.243 1.00 18.50 H new ATOM 0 HG3 MET A 62 8.388 13.379 16.639 1.00 18.50 H new ATOM 0 HE1 MET A 62 10.129 12.595 12.656 1.00 24.11 H new ATOM 0 HE2 MET A 62 9.904 14.135 12.947 1.00 24.11 H new ATOM 0 HE3 MET A 62 10.804 13.268 13.920 1.00 24.11 H new ATOM 495 N GLN A 63 10.696 17.871 17.199 1.00 21.09 N ATOM 496 CA GLN A 63 10.910 19.253 17.005 1.00 22.64 C ATOM 497 C GLN A 63 12.131 19.574 16.166 1.00 21.08 C ATOM 498 O GLN A 63 13.187 19.073 16.473 1.00 24.08 O ATOM 499 CB GLN A 63 11.012 19.970 18.378 1.00 17.31 C ATOM 500 CG GLN A 63 10.880 21.493 18.125 1.00 18.51 C ATOM 501 CD GLN A 63 10.928 22.253 19.527 1.00 29.87 C ATOM 502 OE1 GLN A 63 11.516 21.754 20.457 1.00 29.89 O ATOM 503 NE2 GLN A 63 10.344 23.394 19.639 1.00 20.39 N ATOM 0 H GLN A 63 11.371 17.445 17.519 1.00 21.09 H new ATOM 0 HA GLN A 63 10.144 19.578 16.506 1.00 22.64 H new ATOM 0 HB2 GLN A 63 10.312 19.662 18.975 1.00 17.31 H new ATOM 0 HB3 GLN A 63 11.859 19.768 18.805 1.00 17.31 H new ATOM 0 HG2 GLN A 63 11.598 21.802 17.551 1.00 18.51 H new ATOM 0 HG3 GLN A 63 10.047 21.686 17.666 1.00 18.51 H new ATOM 0 HE21 GLN A 63 9.930 23.733 18.966 1.00 20.39 H new ATOM 0 HE22 GLN A 63 10.367 23.817 20.387 1.00 20.39 H new ATOM 504 N ALA A 64 12.023 20.370 15.091 1.00 24.57 N ATOM 505 CA ALA A 64 13.206 20.730 14.459 1.00 18.78 C ATOM 506 C ALA A 64 14.170 21.543 15.283 1.00 21.75 C ATOM 507 O ALA A 64 13.822 22.348 16.185 1.00 20.59 O ATOM 508 CB ALA A 64 12.921 21.498 13.086 1.00 15.31 C ATOM 0 H ALA A 64 11.294 20.679 14.755 1.00 24.57 H new ATOM 0 HA ALA A 64 13.643 19.879 14.299 1.00 18.78 H new ATOM 0 HB1 ALA A 64 13.763 21.737 12.668 1.00 15.31 H new ATOM 0 HB2 ALA A 64 12.417 20.921 12.491 1.00 15.31 H new ATOM 0 HB3 ALA A 64 12.410 22.303 13.265 1.00 15.31 H new ATOM 509 N VAL A 65 15.394 21.438 14.864 1.00 21.38 N ATOM 510 CA VAL A 65 16.545 22.260 15.492 1.00 21.66 C ATOM 511 C VAL A 65 16.546 23.720 15.184 1.00 25.57 C ATOM 512 O VAL A 65 16.617 24.602 16.110 1.00 19.20 O ATOM 513 CB VAL A 65 18.028 21.614 15.235 1.00 23.84 C ATOM 514 CG1 VAL A 65 19.143 22.580 15.827 1.00 24.15 C ATOM 515 CG2 VAL A 65 18.110 20.331 15.794 1.00 23.18 C ATOM 0 H VAL A 65 15.639 20.917 14.225 1.00 21.38 H new ATOM 0 HA VAL A 65 16.345 22.195 16.439 1.00 21.66 H new ATOM 0 HB VAL A 65 18.178 21.525 14.281 1.00 23.84 H new ATOM 0 HG11 VAL A 65 20.020 22.195 15.673 1.00 24.15 H new ATOM 0 HG12 VAL A 65 19.089 23.444 15.389 1.00 24.15 H new ATOM 0 HG13 VAL A 65 19.002 22.692 16.780 1.00 24.15 H new ATOM 0 HG21 VAL A 65 18.993 19.964 15.633 1.00 23.18 H new ATOM 0 HG22 VAL A 65 17.951 20.383 16.749 1.00 23.18 H new ATOM 0 HG23 VAL A 65 17.442 19.757 15.387 1.00 23.18 H new ATOM 516 N ASN A 66 16.346 24.073 13.912 1.00 20.23 N ATOM 517 CA ASN A 66 16.252 25.475 13.537 1.00 27.88 C ATOM 518 C ASN A 66 15.510 25.630 12.185 1.00 24.00 C ATOM 519 O ASN A 66 15.901 24.969 11.148 1.00 22.77 O ATOM 520 CB ASN A 66 17.683 26.145 13.458 1.00 26.27 C ATOM 521 CG ASN A 66 17.636 27.632 13.007 1.00 37.83 C ATOM 522 OD1 ASN A 66 16.702 28.375 13.381 1.00 38.13 O ATOM 523 ND2 ASN A 66 18.674 28.096 12.211 1.00 39.05 N ATOM 0 H ASN A 66 16.263 23.518 13.260 1.00 20.23 H new ATOM 0 HA ASN A 66 15.744 25.932 14.226 1.00 27.88 H new ATOM 0 HB2 ASN A 66 18.108 26.090 14.328 1.00 26.27 H new ATOM 0 HB3 ASN A 66 18.236 25.642 12.839 1.00 26.27 H new ATOM 0 HD21 ASN A 66 18.688 28.918 11.959 1.00 39.05 H new ATOM 0 HD22 ASN A 66 19.303 27.561 11.969 1.00 39.05 H new ATOM 524 N PRO A 67 14.376 26.327 12.169 1.00 22.18 N ATOM 525 CA PRO A 67 13.725 26.975 13.323 1.00 24.02 C ATOM 526 C PRO A 67 13.122 25.886 14.254 1.00 24.15 C ATOM 527 O PRO A 67 12.903 24.717 13.858 1.00 19.14 O ATOM 528 CB PRO A 67 12.656 27.899 12.614 1.00 20.88 C ATOM 529 CG PRO A 67 12.132 26.967 11.563 1.00 16.60 C ATOM 530 CD PRO A 67 13.474 26.343 10.970 1.00 24.47 C ATOM 0 HA PRO A 67 14.302 27.490 13.909 1.00 24.02 H new ATOM 0 HB2 PRO A 67 11.962 28.193 13.224 1.00 20.88 H new ATOM 0 HB3 PRO A 67 13.055 28.697 12.232 1.00 20.88 H new ATOM 0 HG2 PRO A 67 11.551 26.287 11.938 1.00 16.60 H new ATOM 0 HG3 PRO A 67 11.620 27.436 10.886 1.00 16.60 H new ATOM 0 HD2 PRO A 67 13.332 25.453 10.612 1.00 24.47 H new ATOM 0 HD3 PRO A 67 13.837 26.883 10.251 1.00 24.47 H new ATOM 531 N GLN A 68 12.608 26.250 15.424 1.00 18.55 N ATOM 532 CA GLN A 68 12.069 25.234 16.285 1.00 22.19 C ATOM 533 C GLN A 68 10.629 24.935 16.129 1.00 25.65 C ATOM 534 O GLN A 68 9.839 24.977 17.096 1.00 23.43 O ATOM 535 CB GLN A 68 12.369 25.660 17.767 1.00 28.77 C ATOM 536 CG GLN A 68 13.889 25.861 17.978 1.00 31.71 C ATOM 537 CD GLN A 68 14.197 26.029 19.453 1.00 42.77 C ATOM 538 OE1 GLN A 68 13.817 27.035 20.054 1.00 46.10 O ATOM 539 NE2 GLN A 68 14.796 25.005 20.059 1.00 47.40 N ATOM 0 H GLN A 68 12.566 27.055 15.722 1.00 18.55 H new ATOM 0 HA GLN A 68 12.504 24.405 16.030 1.00 22.19 H new ATOM 0 HB2 GLN A 68 11.897 26.482 17.975 1.00 28.77 H new ATOM 0 HB3 GLN A 68 12.039 24.982 18.377 1.00 28.77 H new ATOM 0 HG2 GLN A 68 14.375 25.099 17.624 1.00 31.71 H new ATOM 0 HG3 GLN A 68 14.190 26.642 17.487 1.00 31.71 H new ATOM 0 HE21 GLN A 68 15.046 24.321 19.601 1.00 47.40 H new ATOM 0 HE22 GLN A 68 14.933 25.028 20.908 1.00 47.40 H new ATOM 540 N SER A 69 10.308 24.375 14.971 1.00 25.20 N ATOM 541 CA SER A 69 8.898 24.071 14.666 1.00 20.12 C ATOM 542 C SER A 69 8.712 22.625 15.062 1.00 22.44 C ATOM 543 O SER A 69 9.528 21.762 14.730 1.00 17.80 O ATOM 544 CB SER A 69 8.676 24.256 13.146 1.00 20.01 C ATOM 545 OG SER A 69 8.658 25.631 12.812 1.00 21.36 O ATOM 0 H SER A 69 10.870 24.164 14.355 1.00 25.20 H new ATOM 0 HA SER A 69 8.271 24.645 15.133 1.00 20.12 H new ATOM 0 HB2 SER A 69 9.381 23.807 12.654 1.00 20.01 H new ATOM 0 HB3 SER A 69 7.839 23.843 12.883 1.00 20.01 H new ATOM 0 HG SER A 69 8.426 25.722 12.010 1.00 21.36 H new ATOM 546 N TYR A 70 7.561 22.297 15.597 1.00 18.17 N ATOM 547 CA TYR A 70 7.321 20.891 15.844 1.00 21.75 C ATOM 548 C TYR A 70 6.666 20.252 14.584 1.00 21.53 C ATOM 549 O TYR A 70 6.006 20.912 13.817 1.00 18.55 O ATOM 550 CB TYR A 70 6.227 20.687 16.947 1.00 19.79 C ATOM 551 CG TYR A 70 6.761 21.095 18.324 1.00 21.79 C ATOM 552 CD1 TYR A 70 7.462 20.122 19.104 1.00 21.87 C ATOM 553 CD2 TYR A 70 6.530 22.381 18.844 1.00 23.18 C ATOM 554 CE1 TYR A 70 7.916 20.459 20.410 1.00 21.60 C ATOM 555 CE2 TYR A 70 7.016 22.709 20.150 1.00 24.41 C ATOM 556 CZ TYR A 70 7.668 21.746 20.902 1.00 25.90 C ATOM 557 OH TYR A 70 7.976 22.034 22.236 1.00 28.83 O ATOM 0 H TYR A 70 6.930 22.839 15.817 1.00 18.17 H new ATOM 0 HA TYR A 70 8.176 20.505 16.091 1.00 21.75 H new ATOM 0 HB2 TYR A 70 5.442 21.214 16.731 1.00 19.79 H new ATOM 0 HB3 TYR A 70 5.949 19.758 16.965 1.00 19.79 H new ATOM 0 HD1 TYR A 70 7.620 19.273 18.759 1.00 21.87 H new ATOM 0 HD2 TYR A 70 6.066 23.013 18.344 1.00 23.18 H new ATOM 0 HE1 TYR A 70 8.370 19.834 20.928 1.00 21.60 H new ATOM 0 HE2 TYR A 70 6.894 23.565 20.492 1.00 24.41 H new ATOM 0 HH TYR A 70 7.482 21.581 22.742 1.00 28.83 H new ATOM 558 N VAL A 71 6.748 18.947 14.538 1.00 18.91 N ATOM 559 CA VAL A 71 5.999 18.184 13.515 1.00 18.61 C ATOM 560 C VAL A 71 4.534 18.149 13.957 1.00 23.26 C ATOM 561 O VAL A 71 4.261 17.770 15.062 1.00 21.19 O ATOM 562 CB VAL A 71 6.456 16.757 13.408 1.00 19.39 C ATOM 563 CG1 VAL A 71 5.545 16.038 12.515 1.00 21.23 C ATOM 564 CG2 VAL A 71 7.920 16.709 12.902 1.00 22.74 C ATOM 0 H VAL A 71 7.221 18.469 15.074 1.00 18.91 H new ATOM 0 HA VAL A 71 6.137 18.615 12.657 1.00 18.61 H new ATOM 0 HB VAL A 71 6.438 16.327 14.277 1.00 19.39 H new ATOM 0 HG11 VAL A 71 5.830 15.114 12.437 1.00 21.23 H new ATOM 0 HG12 VAL A 71 4.645 16.069 12.876 1.00 21.23 H new ATOM 0 HG13 VAL A 71 5.556 16.454 11.639 1.00 21.23 H new ATOM 0 HG21 VAL A 71 8.209 15.786 12.835 1.00 22.74 H new ATOM 0 HG22 VAL A 71 7.975 17.129 12.029 1.00 22.74 H new ATOM 0 HG23 VAL A 71 8.493 17.183 13.525 1.00 22.74 H new ATOM 565 N ARG A 72 3.597 18.528 13.070 1.00 21.35 N ATOM 566 CA ARG A 72 2.181 18.571 13.384 1.00 21.81 C ATOM 567 C ARG A 72 1.336 18.152 12.133 1.00 21.88 C ATOM 568 O ARG A 72 1.711 18.492 10.950 1.00 20.39 O ATOM 569 CB ARG A 72 1.726 19.965 13.835 1.00 21.60 C ATOM 570 CG ARG A 72 0.185 19.994 14.215 1.00 19.52 C ATOM 571 CD ARG A 72 -0.075 21.399 14.703 1.00 21.88 C ATOM 572 NE ARG A 72 -1.372 21.599 15.331 1.00 25.70 N ATOM 573 CZ ARG A 72 -1.730 22.731 15.962 1.00 28.35 C ATOM 574 NH1 ARG A 72 -0.867 23.747 15.985 1.00 29.45 N ATOM 575 NH2 ARG A 72 -2.972 22.902 16.576 1.00 26.99 N ATOM 0 H ARG A 72 3.780 18.767 12.265 1.00 21.35 H new ATOM 0 HA ARG A 72 2.039 17.950 14.116 1.00 21.81 H new ATOM 0 HB2 ARG A 72 2.252 20.244 14.601 1.00 21.60 H new ATOM 0 HB3 ARG A 72 1.895 20.605 13.126 1.00 21.60 H new ATOM 0 HG2 ARG A 72 -0.369 19.781 13.448 1.00 19.52 H new ATOM 0 HG3 ARG A 72 -0.019 19.341 14.902 1.00 19.52 H new ATOM 0 HD2 ARG A 72 0.618 21.640 15.338 1.00 21.88 H new ATOM 0 HD3 ARG A 72 0.004 22.008 13.952 1.00 21.88 H new ATOM 0 HE ARG A 72 -1.942 20.956 15.297 1.00 25.70 H new ATOM 0 HH11 ARG A 72 -0.101 23.669 15.602 1.00 29.45 H new ATOM 0 HH12 ARG A 72 -1.076 24.480 16.383 1.00 29.45 H new ATOM 0 HH21 ARG A 72 -3.550 22.265 16.562 1.00 26.99 H new ATOM 0 HH22 ARG A 72 -3.159 23.644 16.969 1.00 26.99 H new ATOM 576 N VAL A 73 0.244 17.397 12.378 1.00 20.49 N ATOM 577 CA VAL A 73 -0.695 17.115 11.230 1.00 20.64 C ATOM 578 C VAL A 73 -1.542 18.409 11.065 1.00 21.97 C ATOM 579 O VAL A 73 -2.087 18.962 11.994 1.00 19.72 O ATOM 580 CB VAL A 73 -1.622 15.945 11.566 1.00 18.21 C ATOM 581 CG1 VAL A 73 -2.509 15.727 10.373 1.00 17.10 C ATOM 582 CG2 VAL A 73 -0.803 14.671 11.667 1.00 18.04 C ATOM 0 H VAL A 73 0.028 17.056 13.137 1.00 20.49 H new ATOM 0 HA VAL A 73 -0.208 16.881 10.425 1.00 20.64 H new ATOM 0 HB VAL A 73 -2.103 16.135 12.387 1.00 18.21 H new ATOM 0 HG11 VAL A 73 -3.114 14.989 10.550 1.00 17.10 H new ATOM 0 HG12 VAL A 73 -3.023 16.531 10.200 1.00 17.10 H new ATOM 0 HG13 VAL A 73 -1.964 15.519 9.598 1.00 17.10 H new ATOM 0 HG21 VAL A 73 -1.387 13.927 11.880 1.00 18.04 H new ATOM 0 HG22 VAL A 73 -0.361 14.502 10.820 1.00 18.04 H new ATOM 0 HG23 VAL A 73 -0.137 14.769 12.365 1.00 18.04 H new ATOM 583 N ARG A 74 -1.538 18.993 9.888 1.00 19.55 N ATOM 584 CA ARG A 74 -2.163 20.246 9.655 1.00 21.49 C ATOM 585 C ARG A 74 -3.595 20.262 10.142 1.00 21.67 C ATOM 586 O ARG A 74 -4.293 19.317 9.875 1.00 20.98 O ATOM 587 CB ARG A 74 -2.093 20.631 8.108 1.00 22.07 C ATOM 588 CG ARG A 74 -2.716 22.000 7.985 1.00 27.75 C ATOM 589 CD ARG A 74 -3.104 22.434 6.555 1.00 29.48 C ATOM 590 NE ARG A 74 -3.933 23.638 6.690 1.00 26.27 N ATOM 591 CZ ARG A 74 -3.554 24.829 6.303 1.00 24.77 C ATOM 592 NH1 ARG A 74 -2.385 25.022 5.660 1.00 26.52 N ATOM 593 NH2 ARG A 74 -4.290 25.824 6.677 1.00 26.70 N ATOM 0 H ARG A 74 -1.160 18.656 9.193 1.00 19.55 H new ATOM 0 HA ARG A 74 -1.675 20.911 10.165 1.00 21.49 H new ATOM 0 HB2 ARG A 74 -1.175 20.639 7.794 1.00 22.07 H new ATOM 0 HB3 ARG A 74 -2.572 19.983 7.568 1.00 22.07 H new ATOM 0 HG2 ARG A 74 -3.511 22.026 8.540 1.00 27.75 H new ATOM 0 HG3 ARG A 74 -2.096 22.653 8.346 1.00 27.75 H new ATOM 0 HD2 ARG A 74 -2.313 22.618 6.024 1.00 29.48 H new ATOM 0 HD3 ARG A 74 -3.592 21.729 6.102 1.00 29.48 H new ATOM 0 HE ARG A 74 -4.713 23.556 7.044 1.00 26.27 H new ATOM 0 HH11 ARG A 74 -1.869 24.354 5.496 1.00 26.52 H new ATOM 0 HH12 ARG A 74 -2.155 25.813 5.414 1.00 26.52 H new ATOM 0 HH21 ARG A 74 -4.990 25.685 7.157 1.00 26.70 H new ATOM 0 HH22 ARG A 74 -4.079 26.625 6.446 1.00 26.70 H new ATOM 594 N ASP A 75 -3.947 21.331 10.875 1.00 18.88 N ATOM 595 CA ASP A 75 -5.297 21.545 11.440 1.00 21.10 C ATOM 596 C ASP A 75 -5.705 20.408 12.408 1.00 27.28 C ATOM 597 O ASP A 75 -6.868 20.246 12.638 1.00 22.57 O ATOM 598 CB ASP A 75 -6.344 21.709 10.301 1.00 27.32 C ATOM 599 CG ASP A 75 -6.067 23.002 9.487 1.00 26.41 C ATOM 600 OD1 ASP A 75 -5.849 24.070 10.137 1.00 27.65 O ATOM 601 OD2 ASP A 75 -6.075 22.914 8.246 1.00 25.53 O ATOM 0 H ASP A 75 -3.398 21.966 11.062 1.00 18.88 H new ATOM 0 HA ASP A 75 -5.272 22.365 11.958 1.00 21.10 H new ATOM 0 HB2 ASP A 75 -6.314 20.938 9.713 1.00 27.32 H new ATOM 0 HB3 ASP A 75 -7.237 21.743 10.678 1.00 27.32 H new ATOM 602 N ASP A 76 -4.765 19.586 12.871 1.00 21.71 N ATOM 603 CA ASP A 76 -5.033 18.449 13.742 1.00 25.70 C ATOM 604 C ASP A 76 -6.054 17.533 13.067 1.00 29.48 C ATOM 605 O ASP A 76 -6.901 16.876 13.700 1.00 23.92 O ATOM 606 CB ASP A 76 -5.590 19.025 15.057 1.00 23.68 C ATOM 607 CG ASP A 76 -4.555 19.918 15.776 1.00 23.90 C ATOM 608 OD1 ASP A 76 -3.334 19.617 15.757 1.00 26.10 O ATOM 609 OD2 ASP A 76 -5.003 20.924 16.250 1.00 25.19 O ATOM 0 H ASP A 76 -3.932 19.679 12.680 1.00 21.71 H new ATOM 0 HA ASP A 76 -4.235 17.925 13.917 1.00 25.70 H new ATOM 0 HB2 ASP A 76 -6.389 19.542 14.871 1.00 23.68 H new ATOM 0 HB3 ASP A 76 -5.853 18.298 15.643 1.00 23.68 H new ATOM 610 N ASN A 77 -5.979 17.486 11.743 1.00 18.81 N ATOM 611 CA ASN A 77 -6.959 16.673 10.925 1.00 22.89 C ATOM 612 C ASN A 77 -6.394 15.284 10.739 1.00 26.04 C ATOM 613 O ASN A 77 -5.717 15.044 9.730 1.00 17.83 O ATOM 614 CB ASN A 77 -7.235 17.541 9.616 1.00 18.61 C ATOM 615 CG ASN A 77 -7.989 16.739 8.569 1.00 30.17 C ATOM 616 OD1 ASN A 77 -8.927 15.977 8.903 1.00 26.40 O ATOM 617 ND2 ASN A 77 -7.664 16.955 7.311 1.00 25.84 N ATOM 0 H ASN A 77 -5.386 17.902 11.279 1.00 18.81 H new ATOM 0 HA ASN A 77 -7.822 16.508 11.336 1.00 22.89 H new ATOM 0 HB2 ASN A 77 -7.747 18.331 9.851 1.00 18.61 H new ATOM 0 HB3 ASN A 77 -6.393 17.848 9.246 1.00 18.61 H new ATOM 0 HD21 ASN A 77 -8.102 16.566 6.681 1.00 25.84 H new ATOM 0 HD22 ASN A 77 -7.014 17.485 7.120 1.00 25.84 H new ATOM 618 N LEU A 78 -6.638 14.306 11.710 1.00 21.29 N ATOM 619 CA LEU A 78 -5.883 13.077 11.677 1.00 25.56 C ATOM 620 C LEU A 78 -6.598 12.064 10.793 1.00 23.88 C ATOM 621 O LEU A 78 -7.276 11.209 11.356 1.00 27.39 O ATOM 622 CB LEU A 78 -5.854 12.605 13.191 1.00 23.14 C ATOM 623 CG LEU A 78 -5.354 13.710 14.144 1.00 25.41 C ATOM 624 CD1 LEU A 78 -5.302 13.028 15.632 1.00 21.97 C ATOM 625 CD2 LEU A 78 -3.996 14.148 13.686 1.00 21.10 C ATOM 0 H LEU A 78 -7.214 14.371 12.345 1.00 21.29 H new ATOM 0 HA LEU A 78 -4.990 13.179 11.313 1.00 25.56 H new ATOM 0 HB2 LEU A 78 -6.745 12.330 13.458 1.00 23.14 H new ATOM 0 HB3 LEU A 78 -5.281 11.827 13.273 1.00 23.14 H new ATOM 0 HG LEU A 78 -5.926 14.493 14.158 1.00 25.41 H new ATOM 0 HD11 LEU A 78 -4.992 13.682 16.277 1.00 21.97 H new ATOM 0 HD12 LEU A 78 -6.189 12.725 15.880 1.00 21.97 H new ATOM 0 HD13 LEU A 78 -4.694 12.272 15.621 1.00 21.97 H new ATOM 0 HD21 LEU A 78 -3.665 14.844 14.275 1.00 21.10 H new ATOM 0 HD22 LEU A 78 -3.388 13.392 13.706 1.00 21.10 H new ATOM 0 HD23 LEU A 78 -4.055 14.492 12.781 1.00 21.10 H new ATOM 626 N VAL A 79 -6.527 12.226 9.442 1.00 23.61 N ATOM 627 CA VAL A 79 -7.157 11.374 8.514 1.00 20.16 C ATOM 628 C VAL A 79 -6.170 11.080 7.359 1.00 23.94 C ATOM 629 O VAL A 79 -5.175 11.763 7.205 1.00 24.23 O ATOM 630 CB VAL A 79 -8.453 12.039 7.926 1.00 21.85 C ATOM 631 CG1 VAL A 79 -9.415 12.519 9.112 1.00 21.20 C ATOM 632 CG2 VAL A 79 -7.967 13.341 7.054 1.00 16.47 C ATOM 0 H VAL A 79 -6.088 12.866 9.072 1.00 23.61 H new ATOM 0 HA VAL A 79 -7.411 10.554 8.966 1.00 20.16 H new ATOM 0 HB VAL A 79 -8.943 11.408 7.376 1.00 21.85 H new ATOM 0 HG11 VAL A 79 -10.211 12.928 8.738 1.00 21.20 H new ATOM 0 HG12 VAL A 79 -9.668 11.755 9.653 1.00 21.20 H new ATOM 0 HG13 VAL A 79 -8.949 13.166 9.665 1.00 21.20 H new ATOM 0 HG21 VAL A 79 -8.742 13.782 6.672 1.00 16.47 H new ATOM 0 HG22 VAL A 79 -7.495 13.960 7.633 1.00 16.47 H new ATOM 0 HG23 VAL A 79 -7.376 13.051 6.341 1.00 16.47 H new ATOM 633 N ASP A 80 -6.372 9.966 6.640 1.00 19.61 N ATOM 634 CA ASP A 80 -5.530 9.635 5.515 1.00 23.74 C ATOM 635 C ASP A 80 -5.343 10.812 4.527 1.00 20.48 C ATOM 636 O ASP A 80 -6.300 11.524 4.226 1.00 26.71 O ATOM 637 CB ASP A 80 -6.346 8.515 4.794 1.00 28.42 C ATOM 638 CG ASP A 80 -5.455 7.633 3.903 1.00 33.23 C ATOM 639 OD1 ASP A 80 -5.928 6.571 3.556 1.00 36.17 O ATOM 640 OD2 ASP A 80 -4.270 7.954 3.618 1.00 29.72 O ATOM 0 H ASP A 80 -6.996 9.396 6.799 1.00 19.61 H new ATOM 0 HA ASP A 80 -4.638 9.388 5.805 1.00 23.74 H new ATOM 0 HB2 ASP A 80 -6.788 7.961 5.456 1.00 28.42 H new ATOM 0 HB3 ASP A 80 -7.042 8.920 4.253 1.00 28.42 H new ATOM 641 N GLY A 81 -4.090 11.128 4.192 1.00 21.77 N ATOM 642 CA GLY A 81 -3.764 12.085 3.152 1.00 22.44 C ATOM 643 C GLY A 81 -3.437 13.377 3.808 1.00 21.08 C ATOM 644 O GLY A 81 -2.906 14.279 3.169 1.00 23.11 O ATOM 0 H GLY A 81 -3.400 10.783 4.573 1.00 21.77 H new ATOM 0 HA2 GLY A 81 -3.012 11.771 2.625 1.00 22.44 H new ATOM 0 HA3 GLY A 81 -4.511 12.193 2.543 1.00 22.44 H new ATOM 645 N ALA A 82 -3.694 13.467 5.105 1.00 21.10 N ATOM 646 CA ALA A 82 -3.514 14.831 5.690 1.00 19.05 C ATOM 647 C ALA A 82 -2.032 15.246 5.703 1.00 25.06 C ATOM 648 O ALA A 82 -1.128 14.411 5.908 1.00 20.18 O ATOM 649 CB ALA A 82 -4.173 14.937 7.104 1.00 17.17 C ATOM 0 H ALA A 82 -3.948 12.837 5.633 1.00 21.10 H new ATOM 0 HA ALA A 82 -3.977 15.463 5.117 1.00 19.05 H new ATOM 0 HB1 ALA A 82 -4.040 15.831 7.457 1.00 17.17 H new ATOM 0 HB2 ALA A 82 -5.123 14.756 7.033 1.00 17.17 H new ATOM 0 HB3 ALA A 82 -3.765 14.290 7.701 1.00 17.17 H new ATOM 650 N ALA A 83 -1.772 16.514 5.409 1.00 19.22 N ATOM 651 CA ALA A 83 -0.389 17.013 5.388 1.00 25.06 C ATOM 652 C ALA A 83 0.343 17.119 6.764 1.00 23.31 C ATOM 653 O ALA A 83 -0.279 17.451 7.772 1.00 19.64 O ATOM 654 CB ALA A 83 -0.313 18.448 4.702 1.00 18.60 C ATOM 0 H ALA A 83 -2.371 17.102 5.220 1.00 19.22 H new ATOM 0 HA ALA A 83 0.073 16.327 4.882 1.00 25.06 H new ATOM 0 HB1 ALA A 83 0.606 18.757 4.699 1.00 18.60 H new ATOM 0 HB2 ALA A 83 -0.637 18.388 3.790 1.00 18.60 H new ATOM 0 HB3 ALA A 83 -0.863 19.074 5.199 1.00 18.60 H new ATOM 655 N LEU A 84 1.638 16.833 6.747 1.00 20.76 N ATOM 656 CA LEU A 84 2.523 17.128 7.903 1.00 21.25 C ATOM 657 C LEU A 84 3.112 18.452 7.642 1.00 20.13 C ATOM 658 O LEU A 84 3.502 18.770 6.500 1.00 22.14 O ATOM 659 CB LEU A 84 3.637 15.992 8.031 1.00 19.35 C ATOM 660 CG LEU A 84 3.205 14.666 8.751 1.00 17.38 C ATOM 661 CD1 LEU A 84 2.653 14.972 10.199 1.00 21.21 C ATOM 662 CD2 LEU A 84 2.114 13.794 8.013 1.00 19.04 C ATOM 0 H LEU A 84 2.038 16.467 6.080 1.00 20.76 H new ATOM 0 HA LEU A 84 2.040 17.139 8.744 1.00 21.25 H new ATOM 0 HB2 LEU A 84 3.945 15.767 7.139 1.00 19.35 H new ATOM 0 HB3 LEU A 84 4.396 16.363 8.508 1.00 19.35 H new ATOM 0 HG LEU A 84 4.023 14.145 8.761 1.00 17.38 H new ATOM 0 HD11 LEU A 84 2.391 14.142 10.628 1.00 21.21 H new ATOM 0 HD12 LEU A 84 3.345 15.403 10.725 1.00 21.21 H new ATOM 0 HD13 LEU A 84 1.883 15.559 10.135 1.00 21.21 H new ATOM 0 HD21 LEU A 84 1.921 13.003 8.540 1.00 19.04 H new ATOM 0 HD22 LEU A 84 1.303 14.315 7.904 1.00 19.04 H new ATOM 0 HD23 LEU A 84 2.447 13.528 7.142 1.00 19.04 H new ATOM 663 N VAL A 85 3.213 19.304 8.680 1.00 20.70 N ATOM 664 CA VAL A 85 3.659 20.668 8.642 1.00 18.40 C ATOM 665 C VAL A 85 4.405 21.040 9.906 1.00 18.52 C ATOM 666 O VAL A 85 4.274 20.293 10.877 1.00 16.68 O ATOM 667 CB VAL A 85 2.385 21.719 8.537 1.00 20.24 C ATOM 668 CG1 VAL A 85 1.524 21.288 7.266 1.00 22.94 C ATOM 669 CG2 VAL A 85 1.457 21.619 9.730 1.00 19.44 C ATOM 0 H VAL A 85 3.001 19.060 9.477 1.00 20.70 H new ATOM 0 HA VAL A 85 4.233 20.736 7.863 1.00 18.40 H new ATOM 0 HB VAL A 85 2.740 22.620 8.487 1.00 20.24 H new ATOM 0 HG11 VAL A 85 0.765 21.884 7.172 1.00 22.94 H new ATOM 0 HG12 VAL A 85 2.075 21.339 6.469 1.00 22.94 H new ATOM 0 HG13 VAL A 85 1.208 20.378 7.383 1.00 22.94 H new ATOM 0 HG21 VAL A 85 0.728 22.250 9.627 1.00 19.44 H new ATOM 0 HG22 VAL A 85 1.100 20.719 9.788 1.00 19.44 H new ATOM 0 HG23 VAL A 85 1.949 21.824 10.541 1.00 19.44 H new ATOM 670 N GLY A 86 5.093 22.186 9.828 1.00 21.29 N ATOM 671 CA GLY A 86 5.810 22.797 10.934 1.00 19.91 C ATOM 672 C GLY A 86 4.775 23.639 11.685 1.00 17.62 C ATOM 673 O GLY A 86 3.894 24.339 11.049 1.00 19.74 O ATOM 0 H GLY A 86 5.152 22.639 9.099 1.00 21.29 H new ATOM 0 HA2 GLY A 86 6.197 22.122 11.514 1.00 19.91 H new ATOM 0 HA3 GLY A 86 6.541 23.348 10.613 1.00 19.91 H new ATOM 674 N SER A 87 4.784 23.474 13.033 1.00 19.92 N ATOM 675 CA SER A 87 3.860 24.281 13.859 1.00 16.48 C ATOM 676 C SER A 87 4.534 24.648 15.227 1.00 24.26 C ATOM 677 O SER A 87 5.408 23.937 15.741 1.00 22.11 O ATOM 678 CB SER A 87 2.562 23.470 14.086 1.00 17.32 C ATOM 679 OG SER A 87 1.705 24.347 14.898 1.00 23.90 O ATOM 0 H SER A 87 5.291 22.929 13.464 1.00 19.92 H new ATOM 0 HA SER A 87 3.646 25.110 13.403 1.00 16.48 H new ATOM 0 HB2 SER A 87 2.137 23.244 13.244 1.00 17.32 H new ATOM 0 HB3 SER A 87 2.745 22.635 14.544 1.00 17.32 H new ATOM 0 HG SER A 87 1.375 24.946 14.411 1.00 23.90 H new ATOM 680 N GLN A 88 3.971 25.644 15.907 1.00 18.11 N ATOM 681 CA GLN A 88 4.419 25.976 17.242 1.00 25.58 C ATOM 682 C GLN A 88 3.891 24.904 18.235 1.00 24.72 C ATOM 683 O GLN A 88 4.302 24.955 19.383 1.00 23.77 O ATOM 684 CB GLN A 88 3.885 27.339 17.660 1.00 28.65 C ATOM 685 CG GLN A 88 2.347 27.377 17.455 1.00 38.70 C ATOM 686 CD GLN A 88 1.680 28.729 17.663 1.00 46.02 C ATOM 687 OE1 GLN A 88 1.876 29.362 18.702 1.00 55.13 O ATOM 688 NE2 GLN A 88 0.815 29.140 16.709 1.00 47.07 N ATOM 0 H GLN A 88 3.331 26.135 15.609 1.00 18.11 H new ATOM 0 HA GLN A 88 5.389 25.999 17.251 1.00 25.58 H new ATOM 0 HB2 GLN A 88 4.101 27.511 18.590 1.00 28.65 H new ATOM 0 HB3 GLN A 88 4.308 28.037 17.137 1.00 28.65 H new ATOM 0 HG2 GLN A 88 2.151 27.075 16.554 1.00 38.70 H new ATOM 0 HG3 GLN A 88 1.942 26.739 18.063 1.00 38.70 H new ATOM 0 HE21 GLN A 88 0.705 28.670 15.997 1.00 47.07 H new ATOM 0 HE22 GLN A 88 0.374 29.871 16.814 1.00 47.07 H new ATOM 689 N GLN A 89 2.993 23.987 17.844 1.00 19.57 N ATOM 690 CA GLN A 89 2.549 22.983 18.759 1.00 29.95 C ATOM 691 C GLN A 89 2.735 21.686 18.055 1.00 23.42 C ATOM 692 O GLN A 89 2.389 21.561 16.921 1.00 21.62 O ATOM 693 CB GLN A 89 1.023 23.218 18.994 1.00 26.32 C ATOM 694 CG GLN A 89 0.247 22.293 19.913 1.00 39.35 C ATOM 695 CD GLN A 89 -1.136 22.911 20.255 1.00 44.69 C ATOM 696 OE1 GLN A 89 -2.186 22.352 19.885 1.00 42.97 O ATOM 697 NE2 GLN A 89 -1.127 24.151 20.809 1.00 45.56 N ATOM 0 H GLN A 89 2.645 23.946 17.059 1.00 19.57 H new ATOM 0 HA GLN A 89 3.024 23.000 19.604 1.00 29.95 H new ATOM 0 HB2 GLN A 89 0.919 24.119 19.337 1.00 26.32 H new ATOM 0 HB3 GLN A 89 0.590 23.193 18.126 1.00 26.32 H new ATOM 0 HG2 GLN A 89 0.126 21.430 19.487 1.00 39.35 H new ATOM 0 HG3 GLN A 89 0.750 22.139 20.728 1.00 39.35 H new ATOM 0 HE21 GLN A 89 -0.383 24.507 21.053 1.00 45.56 H new ATOM 0 HE22 GLN A 89 -1.865 24.580 20.915 1.00 45.56 H new ATOM 698 N PRO A 90 3.061 20.626 18.774 1.00 23.75 N ATOM 699 CA PRO A 90 3.218 19.338 18.137 1.00 22.13 C ATOM 700 C PRO A 90 1.896 18.497 18.078 1.00 23.97 C ATOM 701 O PRO A 90 0.968 18.622 18.866 1.00 20.95 O ATOM 702 CB PRO A 90 4.114 18.570 19.135 1.00 24.55 C ATOM 703 CG PRO A 90 3.760 19.250 20.473 1.00 25.88 C ATOM 704 CD PRO A 90 3.588 20.690 20.138 1.00 23.53 C ATOM 0 HA PRO A 90 3.540 19.461 17.230 1.00 22.13 H new ATOM 0 HB2 PRO A 90 3.914 17.621 19.146 1.00 24.55 H new ATOM 0 HB3 PRO A 90 5.056 18.659 18.920 1.00 24.55 H new ATOM 0 HG2 PRO A 90 2.948 18.878 20.852 1.00 25.88 H new ATOM 0 HG3 PRO A 90 4.464 19.123 21.129 1.00 25.88 H new ATOM 0 HD2 PRO A 90 2.973 21.133 20.744 1.00 23.53 H new ATOM 0 HD3 PRO A 90 4.427 21.175 20.180 1.00 23.53 H new ATOM 705 N THR A 91 1.915 17.571 17.172 1.00 18.07 N ATOM 706 CA THR A 91 1.088 16.363 17.185 1.00 20.97 C ATOM 707 C THR A 91 1.968 15.251 17.867 1.00 24.43 C ATOM 708 O THR A 91 2.989 14.815 17.335 1.00 21.24 O ATOM 709 CB THR A 91 0.689 15.779 15.713 1.00 21.22 C ATOM 710 OG1 THR A 91 -0.112 16.833 15.081 1.00 18.74 O ATOM 711 CG2 THR A 91 -0.303 14.545 15.897 1.00 24.25 C ATOM 0 H THR A 91 2.432 17.613 16.486 1.00 18.07 H new ATOM 0 HA THR A 91 0.259 16.588 17.635 1.00 20.97 H new ATOM 0 HB THR A 91 1.479 15.521 15.212 1.00 21.22 H new ATOM 0 HG1 THR A 91 -0.928 16.652 15.163 1.00 18.74 H new ATOM 0 HG21 THR A 91 -0.545 14.192 15.027 1.00 24.25 H new ATOM 0 HG22 THR A 91 0.135 13.852 16.416 1.00 24.25 H new ATOM 0 HG23 THR A 91 -1.103 14.839 16.360 1.00 24.25 H new ATOM 712 N PRO A 92 1.392 14.588 18.905 1.00 22.66 N ATOM 713 CA PRO A 92 2.180 13.509 19.532 1.00 21.70 C ATOM 714 C PRO A 92 2.263 12.375 18.542 1.00 23.78 C ATOM 715 O PRO A 92 1.252 11.985 17.898 1.00 24.04 O ATOM 716 CB PRO A 92 1.238 12.994 20.669 1.00 23.24 C ATOM 717 CG PRO A 92 0.501 14.351 21.078 1.00 24.02 C ATOM 718 CD PRO A 92 0.227 14.980 19.708 1.00 24.03 C ATOM 0 HA PRO A 92 3.061 13.795 19.821 1.00 21.70 H new ATOM 0 HB2 PRO A 92 0.617 12.318 20.355 1.00 23.24 H new ATOM 0 HB3 PRO A 92 1.731 12.605 21.408 1.00 23.24 H new ATOM 0 HG2 PRO A 92 -0.317 14.187 21.574 1.00 24.02 H new ATOM 0 HG3 PRO A 92 1.060 14.916 21.633 1.00 24.02 H new ATOM 0 HD2 PRO A 92 -0.599 14.648 19.323 1.00 24.03 H new ATOM 0 HD3 PRO A 92 0.145 15.945 19.769 1.00 24.03 H new ATOM 719 N VAL A 93 3.402 11.778 18.384 1.00 20.83 N ATOM 720 CA VAL A 93 3.485 10.626 17.488 1.00 21.35 C ATOM 721 C VAL A 93 3.867 9.323 18.216 1.00 27.09 C ATOM 722 O VAL A 93 4.359 9.323 19.313 1.00 27.03 O ATOM 723 CB VAL A 93 4.501 10.842 16.332 1.00 18.06 C ATOM 724 CG1 VAL A 93 4.001 11.994 15.367 1.00 20.52 C ATOM 725 CG2 VAL A 93 5.849 11.371 16.945 1.00 19.92 C ATOM 0 H VAL A 93 4.137 12.003 18.769 1.00 20.83 H new ATOM 0 HA VAL A 93 2.589 10.540 17.126 1.00 21.35 H new ATOM 0 HB VAL A 93 4.603 10.003 15.856 1.00 18.06 H new ATOM 0 HG11 VAL A 93 4.644 12.118 14.651 1.00 20.52 H new ATOM 0 HG12 VAL A 93 3.141 11.750 14.990 1.00 20.52 H new ATOM 0 HG13 VAL A 93 3.912 12.820 15.868 1.00 20.52 H new ATOM 0 HG21 VAL A 93 6.495 11.511 16.235 1.00 19.92 H new ATOM 0 HG22 VAL A 93 5.688 12.210 17.405 1.00 19.92 H new ATOM 0 HG23 VAL A 93 6.197 10.719 17.574 1.00 19.92 H new ATOM 726 N SER A 94 3.609 8.200 17.622 1.00 23.50 N ATOM 727 CA SER A 94 4.032 6.914 18.279 1.00 24.76 C ATOM 728 C SER A 94 5.094 6.342 17.322 1.00 24.90 C ATOM 729 O SER A 94 4.764 5.993 16.151 1.00 22.75 O ATOM 730 CB SER A 94 2.851 5.954 18.408 1.00 20.93 C ATOM 731 OG SER A 94 3.310 4.773 19.031 1.00 26.45 O ATOM 0 H SER A 94 3.207 8.118 16.866 1.00 23.50 H new ATOM 0 HA SER A 94 4.369 7.048 19.179 1.00 24.76 H new ATOM 0 HB2 SER A 94 2.141 6.359 18.931 1.00 20.93 H new ATOM 0 HB3 SER A 94 2.481 5.754 17.534 1.00 20.93 H new ATOM 0 HG SER A 94 3.137 4.112 18.542 1.00 26.45 H new ATOM 732 N ILE A 95 6.335 6.280 17.790 1.00 24.18 N ATOM 733 CA ILE A 95 7.426 5.793 16.920 1.00 26.43 C ATOM 734 C ILE A 95 7.715 4.382 17.291 1.00 29.06 C ATOM 735 O ILE A 95 8.104 4.110 18.451 1.00 24.12 O ATOM 736 CB ILE A 95 8.617 6.734 16.969 1.00 23.66 C ATOM 737 CG1 ILE A 95 8.124 8.195 16.678 1.00 26.01 C ATOM 738 CG2 ILE A 95 9.813 6.244 16.041 1.00 22.62 C ATOM 739 CD1 ILE A 95 9.290 9.181 16.846 1.00 21.09 C ATOM 0 H ILE A 95 6.573 6.506 18.585 1.00 24.18 H new ATOM 0 HA ILE A 95 7.168 5.793 15.985 1.00 26.43 H new ATOM 0 HB ILE A 95 9.002 6.730 17.859 1.00 23.66 H new ATOM 0 HG12 ILE A 95 7.769 8.252 15.777 1.00 26.01 H new ATOM 0 HG13 ILE A 95 7.402 8.428 17.283 1.00 26.01 H new ATOM 0 HG21 ILE A 95 10.549 6.872 16.103 1.00 22.62 H new ATOM 0 HG22 ILE A 95 10.111 5.368 16.332 1.00 22.62 H new ATOM 0 HG23 ILE A 95 9.509 6.193 15.121 1.00 22.62 H new ATOM 0 HD11 ILE A 95 8.980 10.082 16.665 1.00 21.09 H new ATOM 0 HD12 ILE A 95 9.628 9.132 17.754 1.00 21.09 H new ATOM 0 HD13 ILE A 95 9.999 8.953 16.225 1.00 21.09 H new ATOM 740 N GLU A 96 7.399 3.491 16.315 1.00 28.13 N ATOM 741 CA GLU A 96 7.369 2.060 16.567 1.00 31.95 C ATOM 742 C GLU A 96 8.292 1.272 15.661 1.00 33.62 C ATOM 743 O GLU A 96 8.370 1.463 14.432 1.00 28.42 O ATOM 744 CB GLU A 96 5.931 1.568 16.487 1.00 29.91 C ATOM 745 CG GLU A 96 4.966 2.255 17.501 1.00 27.29 C ATOM 746 CD GLU A 96 3.525 1.884 17.295 1.00 31.96 C ATOM 747 OE1 GLU A 96 2.588 2.612 17.687 1.00 31.86 O ATOM 748 OE2 GLU A 96 3.337 0.835 16.699 1.00 31.37 O ATOM 0 H GLU A 96 7.202 3.713 15.508 1.00 28.13 H new ATOM 0 HA GLU A 96 7.711 1.907 17.462 1.00 31.95 H new ATOM 0 HB2 GLU A 96 5.598 1.716 15.588 1.00 29.91 H new ATOM 0 HB3 GLU A 96 5.918 0.610 16.641 1.00 29.91 H new ATOM 0 HG2 GLU A 96 5.230 2.014 18.403 1.00 27.29 H new ATOM 0 HG3 GLU A 96 5.060 3.218 17.426 1.00 27.29 H new ATOM 749 N SER A 97 9.086 0.439 16.274 1.00 29.53 N ATOM 750 CA SER A 97 10.044 -0.333 15.430 1.00 34.98 C ATOM 751 C SER A 97 9.314 -1.260 14.467 1.00 35.39 C ATOM 752 O SER A 97 8.272 -1.857 14.841 1.00 31.13 O ATOM 753 CB SER A 97 11.064 -1.121 16.281 1.00 35.77 C ATOM 754 OG SER A 97 10.342 -2.065 17.062 1.00 43.05 O ATOM 0 H SER A 97 9.112 0.290 17.121 1.00 29.53 H new ATOM 0 HA SER A 97 10.541 0.316 14.908 1.00 34.98 H new ATOM 0 HB2 SER A 97 11.706 -1.572 15.711 1.00 35.77 H new ATOM 0 HB3 SER A 97 11.566 -0.520 16.853 1.00 35.77 H new ATOM 0 HG SER A 97 9.533 -1.842 17.093 1.00 43.05 H new ATOM 755 N ALA A 98 9.811 -1.369 13.209 1.00 35.35 N ATOM 756 CA ALA A 98 9.196 -2.212 12.228 1.00 45.03 C ATOM 757 C ALA A 98 10.111 -3.410 12.429 1.00 50.17 C ATOM 758 O ALA A 98 11.268 -3.228 12.748 1.00 56.22 O ATOM 759 CB ALA A 98 9.346 -1.582 10.825 1.00 39.99 C ATOM 0 H ALA A 98 10.508 -0.949 12.930 1.00 35.35 H new ATOM 0 HA ALA A 98 8.245 -2.388 12.305 1.00 45.03 H new ATOM 0 HB1 ALA A 98 8.928 -2.157 10.165 1.00 39.99 H new ATOM 0 HB2 ALA A 98 8.917 -0.712 10.813 1.00 39.99 H new ATOM 0 HB3 ALA A 98 10.287 -1.481 10.615 1.00 39.99 H new ATOM 760 N GLY A 99 9.623 -4.627 12.256 1.00 56.14 N ATOM 761 CA GLY A 99 10.478 -5.809 12.562 1.00 59.56 C ATOM 762 C GLY A 99 11.951 -5.837 12.110 1.00 62.66 C ATOM 763 O GLY A 99 12.823 -6.606 12.562 1.00 63.54 O ATOM 0 H GLY A 99 8.831 -4.807 11.974 1.00 56.14 H new ATOM 0 HA2 GLY A 99 10.470 -5.928 13.525 1.00 59.56 H new ATOM 0 HA3 GLY A 99 10.044 -6.586 12.176 1.00 59.56 H new ATOM 764 N ASN A 100 12.152 -4.896 11.211 1.00 61.38 N ATOM 765 CA ASN A 100 13.262 -4.509 10.442 1.00 62.29 C ATOM 766 C ASN A 100 14.671 -4.375 10.936 1.00 64.18 C ATOM 767 O ASN A 100 15.116 -5.112 11.828 1.00 67.03 O ATOM 768 CB ASN A 100 12.637 -3.316 9.717 1.00 57.85 C ATOM 769 CG ASN A 100 11.452 -3.836 8.892 1.00 61.91 C ATOM 770 OD1 ASN A 100 11.367 -5.145 8.990 1.00 61.13 O ATOM 771 ND2 ASN A 100 10.894 -3.134 7.886 1.00 55.15 N ATOM 0 H ASN A 100 11.491 -4.380 11.018 1.00 61.38 H new ATOM 0 HA ASN A 100 13.591 -5.264 9.930 1.00 62.29 H new ATOM 0 HB2 ASN A 100 12.340 -2.648 10.355 1.00 57.85 H new ATOM 0 HB3 ASN A 100 13.290 -2.888 9.141 1.00 57.85 H new ATOM 0 HD21 ASN A 100 10.457 -3.542 7.268 1.00 55.15 H new ATOM 0 HD22 ASN A 100 10.975 -2.278 7.862 1.00 55.15 H new ATOM 772 N SER A 101 15.438 -3.597 10.194 1.00 61.78 N ATOM 773 CA SER A 101 16.803 -3.336 10.581 1.00 60.80 C ATOM 774 C SER A 101 16.472 -2.335 11.704 1.00 55.65 C ATOM 775 O SER A 101 15.634 -2.599 12.562 1.00 62.91 O ATOM 776 CB SER A 101 17.520 -2.677 9.384 1.00 63.27 C ATOM 777 OG SER A 101 17.300 -3.397 8.159 1.00 63.09 O ATOM 0 H SER A 101 15.186 -3.213 9.467 1.00 61.78 H new ATOM 0 HA SER A 101 17.377 -4.074 10.840 1.00 60.80 H new ATOM 0 HB2 SER A 101 17.206 -1.765 9.283 1.00 63.27 H new ATOM 0 HB3 SER A 101 18.472 -2.631 9.564 1.00 63.27 H new ATOM 0 HG SER A 101 17.702 -3.011 7.531 1.00 63.09 H new ATOM 778 N GLY A 102 17.158 -1.219 11.741 1.00 54.57 N ATOM 779 CA GLY A 102 16.799 -0.147 12.667 1.00 48.50 C ATOM 780 C GLY A 102 15.717 0.715 12.005 1.00 43.95 C ATOM 781 O GLY A 102 15.826 1.946 11.877 1.00 47.27 O ATOM 0 H GLY A 102 17.838 -1.051 11.242 1.00 54.57 H new ATOM 0 HA2 GLY A 102 16.473 -0.517 13.502 1.00 48.50 H new ATOM 0 HA3 GLY A 102 17.577 0.391 12.880 1.00 48.50 H new ATOM 782 N GLN A 103 14.663 0.072 11.532 1.00 37.28 N ATOM 783 CA GLN A 103 13.574 0.830 10.827 1.00 35.39 C ATOM 784 C GLN A 103 12.346 0.982 11.712 1.00 34.75 C ATOM 785 O GLN A 103 12.006 0.103 12.545 1.00 30.23 O ATOM 786 CB GLN A 103 13.190 0.209 9.516 1.00 35.94 C ATOM 787 CG GLN A 103 14.426 0.188 8.610 1.00 39.72 C ATOM 788 CD GLN A 103 14.271 -0.595 7.366 1.00 40.30 C ATOM 789 OE1 GLN A 103 13.106 -1.037 7.090 1.00 49.07 O flip ATOM 790 NE2 GLN A 103 15.215 -0.734 6.612 1.00 36.62 N flip ATOM 0 H GLN A 103 14.538 -0.777 11.593 1.00 37.28 H new ATOM 0 HA GLN A 103 13.937 1.709 10.637 1.00 35.39 H new ATOM 0 HB2 GLN A 103 12.857 -0.692 9.654 1.00 35.94 H new ATOM 0 HB3 GLN A 103 12.475 0.715 9.100 1.00 35.94 H new ATOM 0 HG2 GLN A 103 14.655 1.101 8.376 1.00 39.72 H new ATOM 0 HG3 GLN A 103 15.173 -0.172 9.113 1.00 39.72 H new ATOM 0 HE21 GLN A 103 15.987 -0.424 6.828 1.00 36.62 H new ATOM 0 HE22 GLN A 103 15.110 -1.142 5.862 1.00 36.62 H new ATOM 791 N PHE A 104 11.700 2.107 11.525 1.00 28.50 N ATOM 792 CA PHE A 104 10.510 2.530 12.348 1.00 28.51 C ATOM 793 C PHE A 104 9.310 3.102 11.582 1.00 31.22 C ATOM 794 O PHE A 104 9.513 3.712 10.505 1.00 25.66 O ATOM 795 CB PHE A 104 10.939 3.644 13.334 1.00 31.11 C ATOM 796 CG PHE A 104 12.061 3.263 14.290 1.00 33.57 C ATOM 797 CD1 PHE A 104 13.389 3.399 13.926 1.00 37.67 C ATOM 798 CD2 PHE A 104 11.752 2.762 15.583 1.00 33.17 C ATOM 799 CE1 PHE A 104 14.395 3.045 14.770 1.00 37.45 C ATOM 800 CE2 PHE A 104 12.778 2.397 16.438 1.00 32.62 C ATOM 801 CZ PHE A 104 14.108 2.531 16.037 1.00 35.89 C ATOM 0 H PHE A 104 11.917 2.676 10.918 1.00 28.50 H new ATOM 0 HA PHE A 104 10.220 1.703 12.764 1.00 28.51 H new ATOM 0 HB2 PHE A 104 11.218 4.420 12.823 1.00 31.11 H new ATOM 0 HB3 PHE A 104 10.166 3.911 13.855 1.00 31.11 H new ATOM 0 HD1 PHE A 104 13.598 3.740 13.086 1.00 37.67 H new ATOM 0 HD2 PHE A 104 10.866 2.680 15.853 1.00 33.17 H new ATOM 0 HE1 PHE A 104 15.280 3.146 14.502 1.00 37.45 H new ATOM 0 HE2 PHE A 104 12.580 2.061 17.282 1.00 32.62 H new ATOM 0 HZ PHE A 104 14.798 2.280 16.608 1.00 35.89 H new ATOM 802 N ARG A 105 8.085 2.981 12.158 1.00 26.28 N ATOM 803 CA ARG A 105 6.948 3.663 11.550 1.00 24.00 C ATOM 804 C ARG A 105 6.709 4.875 12.499 1.00 28.53 C ATOM 805 O ARG A 105 6.989 4.731 13.673 1.00 25.69 O ATOM 806 CB ARG A 105 5.724 2.789 11.525 1.00 23.37 C ATOM 807 CG ARG A 105 5.726 1.748 10.404 1.00 27.83 C ATOM 808 CD ARG A 105 4.426 1.052 10.226 1.00 30.02 C ATOM 809 NE ARG A 105 4.576 0.005 9.162 1.00 28.71 N ATOM 810 CZ ARG A 105 5.220 -1.146 9.380 1.00 39.87 C ATOM 811 NH1 ARG A 105 5.751 -1.387 10.602 1.00 32.90 N ATOM 812 NH2 ARG A 105 5.330 -2.065 8.389 1.00 29.35 N ATOM 0 H ARG A 105 7.912 2.527 12.868 1.00 26.28 H new ATOM 0 HA ARG A 105 7.119 3.910 10.628 1.00 24.00 H new ATOM 0 HB2 ARG A 105 5.646 2.333 12.377 1.00 23.37 H new ATOM 0 HB3 ARG A 105 4.939 3.351 11.431 1.00 23.37 H new ATOM 0 HG2 ARG A 105 5.966 2.183 9.571 1.00 27.83 H new ATOM 0 HG3 ARG A 105 6.413 1.089 10.588 1.00 27.83 H new ATOM 0 HD2 ARG A 105 4.147 0.644 11.061 1.00 30.02 H new ATOM 0 HD3 ARG A 105 3.737 1.687 9.976 1.00 30.02 H new ATOM 0 HE ARG A 105 4.236 0.150 8.385 1.00 28.71 H new ATOM 0 HH11 ARG A 105 5.672 -0.803 11.228 1.00 32.90 H new ATOM 0 HH12 ARG A 105 6.167 -2.124 10.752 1.00 32.90 H new ATOM 0 HH21 ARG A 105 4.985 -1.908 7.617 1.00 29.35 H new ATOM 0 HH22 ARG A 105 5.745 -2.804 8.532 1.00 29.35 H new ATOM 813 N ILE A 106 6.383 6.095 11.978 1.00 18.96 N ATOM 814 CA ILE A 106 6.043 7.238 12.821 1.00 25.22 C ATOM 815 C ILE A 106 4.492 7.283 12.634 1.00 23.47 C ATOM 816 O ILE A 106 3.947 7.874 11.651 1.00 23.78 O ATOM 817 CB ILE A 106 6.748 8.498 12.316 1.00 18.78 C ATOM 818 CG1 ILE A 106 8.331 8.358 12.378 1.00 21.99 C ATOM 819 CG2 ILE A 106 6.317 9.666 13.224 1.00 17.74 C ATOM 820 CD1 ILE A 106 9.144 9.497 11.533 1.00 21.36 C ATOM 0 H ILE A 106 6.359 6.261 11.135 1.00 18.96 H new ATOM 0 HA ILE A 106 6.313 7.175 13.750 1.00 25.22 H new ATOM 0 HB ILE A 106 6.502 8.647 11.390 1.00 18.78 H new ATOM 0 HG12 ILE A 106 8.612 8.397 13.306 1.00 21.99 H new ATOM 0 HG13 ILE A 106 8.581 7.483 12.043 1.00 21.99 H new ATOM 0 HG21 ILE A 106 6.749 10.483 12.928 1.00 17.74 H new ATOM 0 HG22 ILE A 106 5.354 9.775 13.177 1.00 17.74 H new ATOM 0 HG23 ILE A 106 6.576 9.477 14.139 1.00 17.74 H new ATOM 0 HD11 ILE A 106 10.098 9.345 11.619 1.00 21.36 H new ATOM 0 HD12 ILE A 106 8.893 9.447 10.597 1.00 21.36 H new ATOM 0 HD13 ILE A 106 8.924 10.376 11.880 1.00 21.36 H new ATOM 821 N LYS A 107 3.737 6.844 13.686 1.00 24.03 N ATOM 822 CA LYS A 107 2.349 6.655 13.688 1.00 26.95 C ATOM 823 C LYS A 107 1.545 7.691 14.418 1.00 21.96 C ATOM 824 O LYS A 107 2.082 8.358 15.316 1.00 24.00 O ATOM 825 CB LYS A 107 2.032 5.296 14.340 1.00 25.28 C ATOM 826 CG LYS A 107 2.569 4.093 13.639 1.00 27.25 C ATOM 827 CD LYS A 107 1.861 2.878 14.221 1.00 32.59 C ATOM 828 CE LYS A 107 2.138 1.679 13.341 1.00 37.98 C ATOM 829 NZ LYS A 107 1.679 0.415 14.000 1.00 34.30 N ATOM 0 H LYS A 107 4.092 6.650 14.445 1.00 24.03 H new ATOM 0 HA LYS A 107 2.093 6.714 12.754 1.00 26.95 H new ATOM 0 HB2 LYS A 107 2.380 5.303 15.246 1.00 25.28 H new ATOM 0 HB3 LYS A 107 1.068 5.206 14.407 1.00 25.28 H new ATOM 0 HG2 LYS A 107 2.412 4.155 12.684 1.00 27.25 H new ATOM 0 HG3 LYS A 107 3.528 4.023 13.765 1.00 27.25 H new ATOM 0 HD2 LYS A 107 2.172 2.710 15.124 1.00 32.59 H new ATOM 0 HD3 LYS A 107 0.906 3.041 14.275 1.00 32.59 H new ATOM 0 HE2 LYS A 107 1.686 1.787 12.489 1.00 37.98 H new ATOM 0 HE3 LYS A 107 3.088 1.624 13.153 1.00 37.98 H new ATOM 0 HZ1 LYS A 107 2.048 -0.284 13.591 1.00 34.30 H new ATOM 0 HZ2 LYS A 107 1.923 0.421 14.856 1.00 34.30 H new ATOM 0 HZ3 LYS A 107 0.793 0.356 13.945 1.00 34.30 H new ATOM 830 N ILE A 108 0.313 7.852 13.991 1.00 24.06 N ATOM 831 CA ILE A 108 -0.600 8.781 14.725 1.00 24.11 C ATOM 832 C ILE A 108 -1.237 7.764 15.727 1.00 23.65 C ATOM 833 O ILE A 108 -1.835 6.775 15.352 1.00 22.32 O ATOM 834 CB ILE A 108 -1.678 9.366 13.820 1.00 23.64 C ATOM 835 CG1 ILE A 108 -0.856 10.301 12.800 1.00 21.70 C ATOM 836 CG2 ILE A 108 -2.594 10.307 14.676 1.00 17.27 C ATOM 837 CD1 ILE A 108 0.176 11.334 13.359 1.00 21.48 C ATOM 0 H ILE A 108 -0.029 7.460 13.306 1.00 24.06 H new ATOM 0 HA ILE A 108 -0.161 9.555 15.112 1.00 24.11 H new ATOM 0 HB ILE A 108 -2.218 8.686 13.388 1.00 23.64 H new ATOM 0 HG12 ILE A 108 -0.380 9.716 12.190 1.00 21.70 H new ATOM 0 HG13 ILE A 108 -1.504 10.794 12.273 1.00 21.70 H new ATOM 0 HG21 ILE A 108 -3.285 10.687 14.112 1.00 17.27 H new ATOM 0 HG22 ILE A 108 -3.005 9.796 15.391 1.00 17.27 H new ATOM 0 HG23 ILE A 108 -2.059 11.021 15.056 1.00 17.27 H new ATOM 0 HD11 ILE A 108 0.584 11.815 12.622 1.00 21.48 H new ATOM 0 HD12 ILE A 108 -0.278 11.962 13.943 1.00 21.48 H new ATOM 0 HD13 ILE A 108 0.863 10.867 13.859 1.00 21.48 H new ATOM 838 N PRO A 109 -0.975 7.989 16.982 1.00 21.13 N ATOM 839 CA PRO A 109 -1.493 7.080 18.036 1.00 23.33 C ATOM 840 C PRO A 109 -2.923 6.645 17.880 1.00 19.72 C ATOM 841 O PRO A 109 -3.835 7.447 17.793 1.00 22.42 O ATOM 842 CB PRO A 109 -1.211 7.909 19.336 1.00 23.16 C ATOM 843 CG PRO A 109 -0.032 8.579 19.085 1.00 27.48 C ATOM 844 CD PRO A 109 -0.250 9.132 17.605 1.00 17.20 C ATOM 0 HA PRO A 109 -1.062 6.211 18.020 1.00 23.33 H new ATOM 0 HB2 PRO A 109 -1.934 8.528 19.521 1.00 23.16 H new ATOM 0 HB3 PRO A 109 -1.128 7.330 20.110 1.00 23.16 H new ATOM 0 HG2 PRO A 109 0.116 9.297 19.720 1.00 27.48 H new ATOM 0 HG3 PRO A 109 0.736 7.989 19.140 1.00 27.48 H new ATOM 0 HD2 PRO A 109 -0.772 9.950 17.591 1.00 17.20 H new ATOM 0 HD3 PRO A 109 0.589 9.323 17.157 1.00 17.20 H new ATOM 845 N ASN A 110 -3.089 5.334 17.965 1.00 25.29 N ATOM 846 CA ASN A 110 -4.347 4.579 17.989 1.00 26.75 C ATOM 847 C ASN A 110 -5.188 4.655 16.706 1.00 26.50 C ATOM 848 O ASN A 110 -6.236 4.113 16.703 1.00 26.75 O ATOM 849 CB ASN A 110 -5.228 5.012 19.211 1.00 23.54 C ATOM 850 CG ASN A 110 -4.452 4.913 20.504 1.00 25.97 C ATOM 851 OD1 ASN A 110 -3.600 4.063 20.581 1.00 30.85 O ATOM 852 ND2 ASN A 110 -4.631 5.878 21.480 1.00 20.64 N ATOM 0 H ASN A 110 -2.409 4.810 18.015 1.00 25.29 H new ATOM 0 HA ASN A 110 -4.069 3.653 18.068 1.00 26.75 H new ATOM 0 HB2 ASN A 110 -5.536 5.923 19.084 1.00 23.54 H new ATOM 0 HB3 ASN A 110 -6.017 4.450 19.260 1.00 23.54 H new ATOM 0 HD21 ASN A 110 -4.124 5.886 22.175 1.00 20.64 H new ATOM 0 HD22 ASN A 110 -5.249 6.469 21.392 1.00 20.64 H new ATOM 853 N LEU A 111 -4.706 5.333 15.643 1.00 20.27 N ATOM 854 CA LEU A 111 -5.472 5.512 14.405 1.00 28.06 C ATOM 855 C LEU A 111 -4.996 4.611 13.259 1.00 24.99 C ATOM 856 O LEU A 111 -5.592 4.610 12.244 1.00 29.18 O ATOM 857 CB LEU A 111 -5.449 6.973 13.924 1.00 26.46 C ATOM 858 CG LEU A 111 -6.238 7.954 14.850 1.00 24.77 C ATOM 859 CD1 LEU A 111 -6.269 9.320 14.303 1.00 23.15 C ATOM 860 CD2 LEU A 111 -7.666 7.492 15.024 1.00 24.38 C ATOM 0 H LEU A 111 -3.927 5.698 15.627 1.00 20.27 H new ATOM 0 HA LEU A 111 -6.378 5.255 14.636 1.00 28.06 H new ATOM 0 HB2 LEU A 111 -4.528 7.270 13.863 1.00 26.46 H new ATOM 0 HB3 LEU A 111 -5.821 7.016 13.029 1.00 26.46 H new ATOM 0 HG LEU A 111 -5.775 7.959 15.702 1.00 24.77 H new ATOM 0 HD11 LEU A 111 -6.766 9.898 14.903 1.00 23.15 H new ATOM 0 HD12 LEU A 111 -5.362 9.653 14.211 1.00 23.15 H new ATOM 0 HD13 LEU A 111 -6.699 9.311 13.434 1.00 23.15 H new ATOM 0 HD21 LEU A 111 -8.139 8.112 15.601 1.00 24.38 H new ATOM 0 HD22 LEU A 111 -8.103 7.458 14.159 1.00 24.38 H new ATOM 0 HD23 LEU A 111 -7.674 6.609 15.424 1.00 24.38 H new ATOM 861 N GLY A 112 -3.892 3.918 13.362 1.00 26.32 N ATOM 862 CA GLY A 112 -3.526 3.132 12.191 1.00 29.65 C ATOM 863 C GLY A 112 -3.132 3.983 10.951 1.00 25.30 C ATOM 864 O GLY A 112 -3.262 3.573 9.851 1.00 25.06 O ATOM 0 H GLY A 112 -3.367 3.879 14.042 1.00 26.32 H new ATOM 0 HA2 GLY A 112 -2.783 2.552 12.422 1.00 29.65 H new ATOM 0 HA3 GLY A 112 -4.271 2.558 11.953 1.00 29.65 H new ATOM 865 N LEU A 113 -2.700 5.180 11.205 1.00 24.41 N ATOM 866 CA LEU A 113 -2.121 6.136 10.178 1.00 22.42 C ATOM 867 C LEU A 113 -0.666 6.418 10.487 1.00 25.66 C ATOM 868 O LEU A 113 -0.233 6.500 11.679 1.00 23.41 O ATOM 869 CB LEU A 113 -2.974 7.437 10.161 1.00 19.92 C ATOM 870 CG LEU A 113 -4.446 7.222 9.755 1.00 21.57 C ATOM 871 CD1 LEU A 113 -5.158 8.481 9.917 1.00 20.97 C ATOM 872 CD2 LEU A 113 -4.634 6.820 8.278 1.00 20.08 C ATOM 0 H LEU A 113 -2.717 5.514 11.997 1.00 24.41 H new ATOM 0 HA LEU A 113 -2.153 5.737 9.294 1.00 22.42 H new ATOM 0 HB2 LEU A 113 -2.948 7.841 11.043 1.00 19.92 H new ATOM 0 HB3 LEU A 113 -2.569 8.070 9.547 1.00 19.92 H new ATOM 0 HG LEU A 113 -4.777 6.505 10.317 1.00 21.57 H new ATOM 0 HD11 LEU A 113 -6.087 8.362 9.665 1.00 20.97 H new ATOM 0 HD12 LEU A 113 -5.108 8.764 10.843 1.00 20.97 H new ATOM 0 HD13 LEU A 113 -4.754 9.157 9.351 1.00 20.97 H new ATOM 0 HD21 LEU A 113 -5.579 6.702 8.092 1.00 20.08 H new ATOM 0 HD22 LEU A 113 -4.277 7.516 7.705 1.00 20.08 H new ATOM 0 HD23 LEU A 113 -4.165 5.989 8.106 1.00 20.08 H new ATOM 873 N ALA A 114 0.139 6.653 9.439 1.00 24.85 N ATOM 874 CA ALA A 114 1.595 6.837 9.651 1.00 24.17 C ATOM 875 C ALA A 114 2.123 7.875 8.647 1.00 18.59 C ATOM 876 O ALA A 114 1.463 8.036 7.628 1.00 24.62 O ATOM 877 CB ALA A 114 2.318 5.501 9.389 1.00 19.31 C ATOM 0 H ALA A 114 -0.122 6.709 8.622 1.00 24.85 H new ATOM 0 HA ALA A 114 1.755 7.134 10.560 1.00 24.17 H new ATOM 0 HB1 ALA A 114 3.271 5.616 9.526 1.00 19.31 H new ATOM 0 HB2 ALA A 114 1.983 4.826 10.000 1.00 19.31 H new ATOM 0 HB3 ALA A 114 2.155 5.219 8.475 1.00 19.31 H new ATOM 878 N LEU A 115 3.284 8.489 8.977 1.00 22.35 N ATOM 879 CA LEU A 115 3.944 9.450 8.072 1.00 17.64 C ATOM 880 C LEU A 115 4.377 8.652 6.809 1.00 20.38 C ATOM 881 O LEU A 115 5.018 7.584 6.990 1.00 23.09 O ATOM 882 CB LEU A 115 5.184 9.997 8.703 1.00 17.16 C ATOM 883 CG LEU A 115 4.800 11.385 9.445 1.00 19.32 C ATOM 884 CD1 LEU A 115 3.692 11.106 10.545 1.00 20.84 C ATOM 885 CD2 LEU A 115 6.207 11.948 9.978 1.00 21.35 C ATOM 0 H LEU A 115 3.700 8.359 9.719 1.00 22.35 H new ATOM 0 HA LEU A 115 3.339 10.181 7.868 1.00 17.64 H new ATOM 0 HB2 LEU A 115 5.549 9.362 9.339 1.00 17.16 H new ATOM 0 HB3 LEU A 115 5.867 10.150 8.031 1.00 17.16 H new ATOM 0 HG LEU A 115 4.390 12.061 8.883 1.00 19.32 H new ATOM 0 HD11 LEU A 115 3.461 11.936 10.990 1.00 20.84 H new ATOM 0 HD12 LEU A 115 2.902 10.736 10.122 1.00 20.84 H new ATOM 0 HD13 LEU A 115 4.035 10.475 11.197 1.00 20.84 H new ATOM 0 HD21 LEU A 115 6.065 12.789 10.441 1.00 21.35 H new ATOM 0 HD22 LEU A 115 6.602 11.306 10.588 1.00 21.35 H new ATOM 0 HD23 LEU A 115 6.804 12.090 9.227 1.00 21.35 H new ATOM 886 N THR A 116 3.978 9.127 5.597 1.00 21.05 N ATOM 887 CA ATHR A 116 4.506 8.371 4.408 0.57 19.12 C ATOM 888 CA BTHR A 116 4.668 8.267 4.468 0.43 19.20 C ATOM 889 C THR A 116 5.148 9.375 3.437 1.00 19.82 C ATOM 890 O THR A 116 4.646 10.447 3.356 1.00 20.52 O ATOM 891 CB ATHR A 116 3.304 7.646 3.681 0.57 21.35 C ATOM 892 CB BTHR A 116 3.507 7.326 3.960 0.43 23.34 C ATOM 893 OG1ATHR A 116 2.410 8.606 3.137 0.57 27.53 O ATOM 894 OG1BTHR A 116 3.899 6.663 2.770 0.43 17.65 O ATOM 895 CG2ATHR A 116 2.499 6.880 4.728 0.57 20.68 C ATOM 896 CG2BTHR A 116 2.213 8.058 3.746 0.43 22.18 C ATOM 0 H ATHR A 116 3.466 9.801 5.444 0.57 21.05 H new ATOM 0 H BTHR A 116 3.449 9.774 5.394 0.43 21.05 H new ATOM 0 HA ATHR A 116 5.160 7.714 4.692 0.57 19.20 H new ATOM 0 HA BTHR A 116 5.426 7.704 4.691 0.43 19.20 H new ATOM 0 HB ATHR A 116 3.664 7.071 2.988 0.57 23.34 H new ATOM 0 HB BTHR A 116 3.347 6.673 4.660 0.43 23.34 H new ATOM 0 HG1ATHR A 116 2.238 9.189 3.717 0.57 17.65 H new ATOM 0 HG1BTHR A 116 4.341 5.976 2.965 0.43 17.65 H new ATOM 0 HG21ATHR A 116 1.756 6.428 4.298 0.57 22.18 H new ATOM 0 HG21BTHR A 116 1.537 7.436 3.435 0.43 22.18 H new ATOM 0 HG22ATHR A 116 3.069 6.225 5.159 0.57 22.18 H new ATOM 0 HG22BTHR A 116 1.925 8.458 4.582 0.43 22.18 H new ATOM 0 HG23ATHR A 116 2.159 7.500 5.392 0.57 22.18 H new ATOM 0 HG23BTHR A 116 2.341 8.754 3.082 0.43 22.18 H new ATOM 897 N LEU A 117 6.026 8.890 2.548 1.00 18.58 N ATOM 898 CA LEU A 117 6.702 9.749 1.504 1.00 21.07 C ATOM 899 C LEU A 117 6.186 9.107 0.233 1.00 18.26 C ATOM 900 O LEU A 117 6.687 8.030 -0.186 1.00 25.24 O ATOM 901 CB LEU A 117 8.209 9.733 1.666 1.00 19.98 C ATOM 902 CG LEU A 117 9.037 10.534 0.561 1.00 16.64 C ATOM 903 CD1 LEU A 117 8.519 12.016 0.540 1.00 18.77 C ATOM 904 CD2 LEU A 117 10.488 10.461 0.922 1.00 16.24 C ATOM 0 H LEU A 117 6.257 8.062 2.518 1.00 18.58 H new ATOM 0 HA LEU A 117 6.507 10.698 1.543 1.00 21.07 H new ATOM 0 HB2 LEU A 117 8.427 10.099 2.537 1.00 19.98 H new ATOM 0 HB3 LEU A 117 8.508 8.810 1.663 1.00 19.98 H new ATOM 0 HG LEU A 117 8.921 10.155 -0.324 1.00 16.64 H new ATOM 0 HD11 LEU A 117 9.010 12.521 -0.126 1.00 18.77 H new ATOM 0 HD12 LEU A 117 7.574 12.026 0.321 1.00 18.77 H new ATOM 0 HD13 LEU A 117 8.652 12.418 1.413 1.00 18.77 H new ATOM 0 HD21 LEU A 117 11.011 10.943 0.262 1.00 16.24 H new ATOM 0 HD22 LEU A 117 10.625 10.860 1.796 1.00 16.24 H new ATOM 0 HD23 LEU A 117 10.770 9.533 0.943 1.00 16.24 H new ATOM 905 N PRO A 118 5.221 9.821 -0.444 1.00 21.10 N ATOM 906 CA PRO A 118 4.667 9.088 -1.610 1.00 28.98 C ATOM 907 C PRO A 118 5.395 9.002 -2.916 1.00 27.21 C ATOM 908 O PRO A 118 4.940 8.352 -3.856 1.00 28.30 O ATOM 909 CB PRO A 118 3.278 9.719 -1.808 1.00 27.07 C ATOM 910 CG PRO A 118 3.377 11.075 -1.046 1.00 25.72 C ATOM 911 CD PRO A 118 4.347 10.924 0.045 1.00 20.31 C ATOM 0 HA PRO A 118 4.715 8.149 -1.371 1.00 28.98 H new ATOM 0 HB2 PRO A 118 3.078 9.852 -2.748 1.00 27.07 H new ATOM 0 HB3 PRO A 118 2.576 9.157 -1.445 1.00 27.07 H new ATOM 0 HG2 PRO A 118 3.655 11.782 -1.649 1.00 25.72 H new ATOM 0 HG3 PRO A 118 2.509 11.328 -0.694 1.00 25.72 H new ATOM 0 HD2 PRO A 118 4.848 11.740 0.197 1.00 20.31 H new ATOM 0 HD3 PRO A 118 3.914 10.696 0.883 1.00 20.31 H new ATOM 912 N SER A 119 6.507 9.695 -2.967 1.00 24.74 N ATOM 913 CA SER A 119 7.289 9.742 -4.212 1.00 24.19 C ATOM 914 C SER A 119 8.730 10.087 -3.895 1.00 28.29 C ATOM 915 O SER A 119 9.045 10.714 -2.896 1.00 20.94 O ATOM 916 CB SER A 119 6.751 10.886 -5.153 1.00 25.84 C ATOM 917 OG SER A 119 7.606 10.920 -6.273 1.00 26.21 O ATOM 0 H SER A 119 6.836 10.144 -2.311 1.00 24.74 H new ATOM 0 HA SER A 119 7.216 8.876 -4.643 1.00 24.19 H new ATOM 0 HB2 SER A 119 5.836 10.709 -5.423 1.00 25.84 H new ATOM 0 HB3 SER A 119 6.751 11.740 -4.693 1.00 25.84 H new ATOM 0 HG SER A 119 7.350 11.520 -6.803 1.00 26.21 H new ATOM 918 N ASP A 120 9.647 9.590 -4.702 1.00 24.26 N ATOM 919 CA AASP A 120 11.066 9.918 -4.537 0.51 24.72 C ATOM 920 CA BASP A 120 11.091 9.954 -4.540 0.49 29.09 C ATOM 921 C ASP A 120 11.345 11.333 -5.118 1.00 20.76 C ATOM 922 O ASP A 120 12.417 11.900 -4.984 1.00 24.75 O ATOM 923 CB AASP A 120 11.888 8.833 -5.264 0.51 29.82 C ATOM 924 CB BASP A 120 12.016 8.805 -5.028 0.49 32.07 C ATOM 925 CG AASP A 120 13.362 9.186 -5.376 0.51 30.35 C ATOM 926 CG BASP A 120 12.204 8.746 -6.551 0.49 30.98 C ATOM 927 OD1AASP A 120 13.882 9.219 -6.519 0.51 32.55 O ATOM 928 OD1BASP A 120 11.482 9.413 -7.310 0.49 31.15 O ATOM 929 OD2AASP A 120 13.999 9.436 -4.325 0.51 29.00 O ATOM 930 OD2BASP A 120 13.097 7.976 -6.999 0.49 33.33 O ATOM 0 H AASP A 120 9.477 9.058 -5.356 0.51 24.26 H new ATOM 0 H BASP A 120 9.482 9.046 -5.348 0.49 24.26 H new ATOM 0 HA AASP A 120 11.317 9.934 -3.600 0.51 29.09 H new ATOM 0 HA BASP A 120 11.326 10.040 -3.603 0.49 29.09 H new ATOM 0 HB2AASP A 120 11.796 7.992 -4.790 0.51 32.07 H new ATOM 0 HB2BASP A 120 12.885 8.904 -4.609 0.49 32.07 H new ATOM 0 HB3AASP A 120 11.524 8.699 -6.153 0.51 32.07 H new ATOM 0 HB3BASP A 120 11.650 7.959 -4.725 0.49 32.07 H new ATOM 931 N ALA A 121 10.351 11.957 -5.757 1.00 18.90 N ATOM 932 CA ALA A 121 10.628 13.264 -6.396 1.00 18.29 C ATOM 933 C ALA A 121 11.114 14.259 -5.291 1.00 24.55 C ATOM 934 O ALA A 121 10.589 14.273 -4.209 1.00 21.20 O ATOM 935 CB ALA A 121 9.371 13.861 -7.059 1.00 22.90 C ATOM 0 H ALA A 121 9.546 11.665 -5.835 1.00 18.90 H new ATOM 0 HA ALA A 121 11.299 13.127 -7.083 1.00 18.29 H new ATOM 0 HB1 ALA A 121 9.593 14.714 -7.465 1.00 22.90 H new ATOM 0 HB2 ALA A 121 9.045 13.254 -7.742 1.00 22.90 H new ATOM 0 HB3 ALA A 121 8.682 13.992 -6.388 1.00 22.90 H new ATOM 936 N ASN A 122 12.230 14.932 -5.506 1.00 15.67 N ATOM 937 CA ASN A 122 12.697 15.867 -4.433 1.00 22.08 C ATOM 938 C ASN A 122 11.568 16.896 -4.062 1.00 22.76 C ATOM 939 O ASN A 122 10.771 17.407 -4.915 1.00 20.67 O ATOM 940 CB ASN A 122 13.955 16.564 -4.862 1.00 18.19 C ATOM 941 CG ASN A 122 14.583 17.309 -3.742 1.00 16.10 C ATOM 942 OD1 ASN A 122 14.998 16.655 -2.779 1.00 22.71 O ATOM 943 ND2 ASN A 122 14.948 18.516 -3.989 1.00 20.40 N ATOM 0 H ASN A 122 12.721 14.885 -6.211 1.00 15.67 H new ATOM 0 HA ASN A 122 12.897 15.352 -3.636 1.00 22.08 H new ATOM 0 HB2 ASN A 122 14.584 15.912 -5.209 1.00 18.19 H new ATOM 0 HB3 ASN A 122 13.754 17.178 -5.586 1.00 18.19 H new ATOM 0 HD21 ASN A 122 15.510 18.910 -3.471 1.00 20.40 H new ATOM 0 HD22 ASN A 122 14.630 18.930 -4.673 1.00 20.40 H new ATOM 944 N SER A 123 11.472 17.192 -2.777 1.00 20.20 N ATOM 945 CA SER A 123 10.457 18.074 -2.231 1.00 25.40 C ATOM 946 C SER A 123 9.004 17.525 -2.121 1.00 18.38 C ATOM 947 O SER A 123 8.070 18.356 -1.964 1.00 22.22 O ATOM 948 CB SER A 123 10.499 19.451 -2.876 1.00 24.45 C ATOM 949 OG SER A 123 11.697 20.168 -2.528 1.00 21.21 O ATOM 0 H SER A 123 12.009 16.878 -2.183 1.00 20.20 H new ATOM 0 HA SER A 123 10.720 18.144 -1.300 1.00 25.40 H new ATOM 0 HB2 SER A 123 10.446 19.358 -3.840 1.00 24.45 H new ATOM 0 HB3 SER A 123 9.723 19.963 -2.597 1.00 24.45 H new ATOM 0 HG SER A 123 11.940 20.640 -3.179 1.00 21.21 H new ATOM 950 N THR A 124 8.835 16.214 -2.221 1.00 25.52 N ATOM 951 CA THR A 124 7.528 15.631 -2.174 1.00 24.59 C ATOM 952 C THR A 124 6.943 15.759 -0.725 1.00 23.61 C ATOM 953 O THR A 124 7.634 15.354 0.202 1.00 19.01 O ATOM 954 CB THR A 124 7.557 14.186 -2.481 1.00 23.23 C ATOM 955 OG1 THR A 124 7.862 14.026 -3.903 1.00 21.23 O ATOM 956 CG2 THR A 124 6.148 13.473 -2.063 1.00 17.57 C ATOM 0 H THR A 124 9.477 15.649 -2.317 1.00 25.52 H new ATOM 0 HA THR A 124 6.991 16.101 -2.831 1.00 24.59 H new ATOM 0 HB THR A 124 8.246 13.744 -1.961 1.00 23.23 H new ATOM 0 HG1 THR A 124 8.690 14.099 -4.022 1.00 21.23 H new ATOM 0 HG21 THR A 124 6.189 12.527 -2.273 1.00 17.57 H new ATOM 0 HG22 THR A 124 5.997 13.586 -1.111 1.00 17.57 H new ATOM 0 HG23 THR A 124 5.420 13.882 -2.556 1.00 17.57 H new ATOM 957 N PRO A 125 5.926 16.577 -0.545 1.00 23.26 N ATOM 958 CA PRO A 125 5.377 16.601 0.893 1.00 14.05 C ATOM 959 C PRO A 125 4.978 15.245 1.527 1.00 21.65 C ATOM 960 O PRO A 125 4.546 14.242 0.891 1.00 21.71 O ATOM 961 CB PRO A 125 4.082 17.484 0.759 1.00 15.08 C ATOM 962 CG PRO A 125 4.416 18.358 -0.473 1.00 15.61 C ATOM 963 CD PRO A 125 4.988 17.262 -1.469 1.00 15.62 C ATOM 0 HA PRO A 125 6.078 16.920 1.483 1.00 14.05 H new ATOM 0 HB2 PRO A 125 3.288 16.945 0.618 1.00 15.08 H new ATOM 0 HB3 PRO A 125 3.924 18.020 1.552 1.00 15.08 H new ATOM 0 HG2 PRO A 125 3.633 18.806 -0.829 1.00 15.61 H new ATOM 0 HG3 PRO A 125 5.068 19.046 -0.270 1.00 15.61 H new ATOM 0 HD2 PRO A 125 4.300 16.670 -1.811 1.00 15.62 H new ATOM 0 HD3 PRO A 125 5.435 17.650 -2.237 1.00 15.62 H new ATOM 964 N ILE A 126 5.340 15.129 2.791 1.00 19.09 N ATOM 965 CA ILE A 126 5.014 13.939 3.549 1.00 15.45 C ATOM 966 C ILE A 126 3.580 14.105 4.118 1.00 14.00 C ATOM 967 O ILE A 126 3.224 15.206 4.646 1.00 21.02 O ATOM 968 CB ILE A 126 5.986 13.852 4.792 1.00 18.46 C ATOM 969 CG1 ILE A 126 7.374 13.580 4.202 1.00 19.01 C ATOM 970 CG2 ILE A 126 5.592 12.655 5.848 1.00 19.41 C ATOM 971 CD1 ILE A 126 8.684 13.612 5.245 1.00 20.92 C ATOM 0 H ILE A 126 5.775 15.728 3.229 1.00 19.09 H new ATOM 0 HA ILE A 126 5.089 13.155 2.984 1.00 15.45 H new ATOM 0 HB ILE A 126 5.937 14.674 5.304 1.00 18.46 H new ATOM 0 HG12 ILE A 126 7.352 12.708 3.777 1.00 19.01 H new ATOM 0 HG13 ILE A 126 7.534 14.232 3.502 1.00 19.01 H new ATOM 0 HG21 ILE A 126 6.222 12.653 6.585 1.00 19.41 H new ATOM 0 HG22 ILE A 126 4.697 12.806 6.189 1.00 19.41 H new ATOM 0 HG23 ILE A 126 5.624 11.799 5.393 1.00 19.41 H new ATOM 0 HD11 ILE A 126 9.497 13.426 4.750 1.00 20.92 H new ATOM 0 HD12 ILE A 126 8.750 14.488 5.655 1.00 20.92 H new ATOM 0 HD13 ILE A 126 8.565 12.940 5.935 1.00 20.92 H new ATOM 972 N VAL A 127 2.813 12.988 4.020 1.00 19.45 N ATOM 973 CA VAL A 127 1.397 13.022 4.378 1.00 22.71 C ATOM 974 C VAL A 127 1.104 11.802 5.224 1.00 19.10 C ATOM 975 O VAL A 127 1.886 10.866 5.227 1.00 24.04 O ATOM 976 CB VAL A 127 0.484 13.049 3.121 1.00 20.93 C ATOM 977 CG1 VAL A 127 0.896 14.276 2.224 1.00 18.04 C ATOM 978 CG2 VAL A 127 0.697 11.858 2.256 1.00 17.18 C ATOM 0 H VAL A 127 3.100 12.223 3.752 1.00 19.45 H new ATOM 0 HA VAL A 127 1.209 13.835 4.873 1.00 22.71 H new ATOM 0 HB VAL A 127 -0.432 13.085 3.437 1.00 20.93 H new ATOM 0 HG11 VAL A 127 0.333 14.304 1.435 1.00 18.04 H new ATOM 0 HG12 VAL A 127 0.786 15.097 2.728 1.00 18.04 H new ATOM 0 HG13 VAL A 127 1.823 14.184 1.955 1.00 18.04 H new ATOM 0 HG21 VAL A 127 0.112 11.910 1.484 1.00 17.18 H new ATOM 0 HG22 VAL A 127 1.620 11.834 1.960 1.00 17.18 H new ATOM 0 HG23 VAL A 127 0.498 11.053 2.759 1.00 17.18 H new ATOM 979 N LEU A 128 -0.115 11.731 5.763 1.00 19.09 N ATOM 980 CA LEU A 128 -0.436 10.485 6.442 1.00 20.14 C ATOM 981 C LEU A 128 -0.897 9.542 5.364 1.00 23.27 C ATOM 982 O LEU A 128 -1.550 9.911 4.370 1.00 22.96 O ATOM 983 CB LEU A 128 -1.604 10.631 7.458 1.00 19.15 C ATOM 984 CG LEU A 128 -1.249 11.679 8.621 1.00 16.36 C ATOM 985 CD1 LEU A 128 -2.531 11.847 9.459 1.00 18.48 C ATOM 986 CD2 LEU A 128 0.020 11.252 9.522 1.00 17.19 C ATOM 0 H LEU A 128 -0.723 12.339 5.750 1.00 19.09 H new ATOM 0 HA LEU A 128 0.343 10.184 6.935 1.00 20.14 H new ATOM 0 HB2 LEU A 128 -2.404 10.922 6.993 1.00 19.15 H new ATOM 0 HB3 LEU A 128 -1.802 9.766 7.850 1.00 19.15 H new ATOM 0 HG LEU A 128 -0.971 12.521 8.228 1.00 16.36 H new ATOM 0 HD11 LEU A 128 -2.367 12.475 10.180 1.00 18.48 H new ATOM 0 HD12 LEU A 128 -3.245 12.183 8.895 1.00 18.48 H new ATOM 0 HD13 LEU A 128 -2.789 10.989 9.831 1.00 18.48 H new ATOM 0 HD21 LEU A 128 0.177 11.927 10.201 1.00 17.19 H new ATOM 0 HD22 LEU A 128 -0.158 10.400 9.949 1.00 17.19 H new ATOM 0 HD23 LEU A 128 0.805 11.173 8.958 1.00 17.19 H new ATOM 987 N GLY A 129 -0.740 8.295 5.707 1.00 23.65 N ATOM 988 CA GLY A 129 -1.141 7.150 4.908 1.00 28.34 C ATOM 989 C GLY A 129 -1.570 6.044 5.883 1.00 27.95 C ATOM 990 O GLY A 129 -1.187 6.033 7.068 1.00 23.57 O ATOM 0 H GLY A 129 -0.377 8.068 6.453 1.00 23.65 H new ATOM 0 HA2 GLY A 129 -1.871 7.385 4.315 1.00 28.34 H new ATOM 0 HA3 GLY A 129 -0.408 6.848 4.349 1.00 28.34 H new ATOM 991 N GLU A 130 -2.327 5.098 5.388 1.00 28.07 N ATOM 992 CA AGLU A 130 -2.710 3.952 6.241 0.64 28.54 C ATOM 993 CA BGLU A 130 -2.765 3.840 6.169 0.36 34.44 C ATOM 994 C GLU A 130 -1.549 3.005 6.579 1.00 29.61 C ATOM 995 O GLU A 130 -0.733 2.679 5.704 1.00 26.29 O ATOM 996 CB AGLU A 130 -3.866 3.147 5.603 0.64 33.80 C ATOM 997 CB BGLU A 130 -3.773 2.966 5.386 0.36 36.32 C ATOM 998 CG AGLU A 130 -5.214 3.876 5.519 0.64 36.01 C ATOM 999 CG BGLU A 130 -4.996 3.657 4.756 0.36 36.53 C ATOM 1000 CD AGLU A 130 -5.991 3.786 6.830 0.64 38.01 C ATOM 1001 CD BGLU A 130 -5.913 2.663 4.037 0.36 36.59 C ATOM 1002 OE1AGLU A 130 -5.509 3.106 7.745 0.64 34.45 O ATOM 1003 OE1BGLU A 130 -6.422 1.784 4.758 0.36 36.09 O ATOM 1004 OE2AGLU A 130 -7.073 4.389 6.960 0.64 37.76 O ATOM 1005 OE2BGLU A 130 -6.126 2.741 2.780 0.36 36.85 O ATOM 0 H AGLU A 130 -2.633 5.080 4.585 0.64 28.07 H new ATOM 0 H BGLU A 130 -2.631 5.121 4.584 0.36 28.07 H new ATOM 0 HA AGLU A 130 -3.001 4.346 7.078 0.64 34.44 H new ATOM 0 HA BGLU A 130 -3.221 4.156 6.965 0.36 34.44 H new ATOM 0 HB2AGLU A 130 -3.601 2.886 4.707 0.64 36.32 H new ATOM 0 HB2BGLU A 130 -3.288 2.517 4.676 0.36 36.32 H new ATOM 0 HB3AGLU A 130 -3.989 2.330 6.112 0.64 36.32 H new ATOM 0 HB3BGLU A 130 -4.098 2.277 5.987 0.36 36.32 H new ATOM 0 HG2AGLU A 130 -5.064 4.808 5.295 0.64 36.53 H new ATOM 0 HG2BGLU A 130 -5.498 4.116 5.447 0.36 36.53 H new ATOM 0 HG3AGLU A 130 -5.744 3.494 4.802 0.64 36.53 H new ATOM 0 HG3BGLU A 130 -4.696 4.332 4.127 0.36 36.53 H new ATOM 1006 N VAL A 131 -1.395 2.642 7.878 1.00 23.54 N ATOM 1007 CA VAL A 131 -0.410 1.662 8.224 1.00 26.34 C ATOM 1008 C VAL A 131 -0.638 0.381 7.444 1.00 28.02 C ATOM 1009 O VAL A 131 -1.791 -0.121 7.316 1.00 24.33 O ATOM 1010 CB VAL A 131 -0.511 1.293 9.703 1.00 25.45 C ATOM 1011 CG1 VAL A 131 0.511 0.126 10.018 1.00 27.17 C ATOM 1012 CG2 VAL A 131 0.040 2.634 10.518 1.00 26.21 C ATOM 0 H VAL A 131 -1.850 2.957 8.536 1.00 23.54 H new ATOM 0 HA VAL A 131 0.457 2.047 8.020 1.00 26.34 H new ATOM 0 HB VAL A 131 -1.412 1.025 9.944 1.00 25.45 H new ATOM 0 HG11 VAL A 131 0.451 -0.112 10.956 1.00 27.17 H new ATOM 0 HG12 VAL A 131 0.297 -0.648 9.474 1.00 27.17 H new ATOM 0 HG13 VAL A 131 1.413 0.422 9.817 1.00 27.17 H new ATOM 0 HG21 VAL A 131 0.004 2.470 11.473 1.00 26.21 H new ATOM 0 HG22 VAL A 131 0.956 2.818 10.256 1.00 26.21 H new ATOM 0 HG23 VAL A 131 -0.518 3.397 10.300 1.00 26.21 H new ATOM 1013 N ASP A 132 0.431 -0.149 6.904 1.00 33.13 N ATOM 1014 CA ASP A 132 0.233 -1.505 6.304 1.00 33.53 C ATOM 1015 C ASP A 132 1.445 -2.438 6.486 1.00 32.62 C ATOM 1016 O ASP A 132 2.394 -2.141 7.216 1.00 30.71 O ATOM 1017 CB ASP A 132 -0.291 -1.443 4.827 1.00 36.95 C ATOM 1018 CG ASP A 132 0.760 -0.986 3.831 1.00 38.04 C ATOM 1019 OD1 ASP A 132 1.948 -1.146 4.100 1.00 29.06 O ATOM 1020 OD2 ASP A 132 0.379 -0.487 2.744 1.00 35.72 O ATOM 0 H ASP A 132 1.218 0.195 6.860 1.00 33.13 H new ATOM 0 HA ASP A 132 -0.478 -1.919 6.818 1.00 33.53 H new ATOM 0 HB2 ASP A 132 -0.612 -2.321 4.568 1.00 36.95 H new ATOM 0 HB3 ASP A 132 -1.050 -0.840 4.785 1.00 36.95 H new ATOM 1021 N GLU A 133 1.389 -3.626 5.938 1.00 33.97 N ATOM 1022 CA GLU A 133 2.542 -4.476 6.160 1.00 38.82 C ATOM 1023 C GLU A 133 3.515 -4.401 5.006 1.00 41.15 C ATOM 1024 O GLU A 133 4.693 -4.704 5.172 1.00 44.00 O ATOM 1025 CB GLU A 133 2.121 -5.926 6.394 1.00 44.32 C ATOM 1026 CG GLU A 133 0.965 -6.098 7.348 1.00 51.29 C ATOM 1027 CD GLU A 133 0.477 -7.531 7.386 1.00 56.27 C ATOM 1028 OE1 GLU A 133 -0.615 -7.836 6.861 1.00 61.76 O ATOM 1029 OE2 GLU A 133 1.205 -8.362 7.935 1.00 52.86 O ATOM 0 H GLU A 133 0.747 -3.949 5.466 1.00 33.97 H new ATOM 0 HA GLU A 133 2.988 -4.149 6.957 1.00 38.82 H new ATOM 0 HB2 GLU A 133 1.883 -6.323 5.541 1.00 44.32 H new ATOM 0 HB3 GLU A 133 2.883 -6.421 6.735 1.00 44.32 H new ATOM 0 HG2 GLU A 133 1.237 -5.825 8.238 1.00 51.29 H new ATOM 0 HG3 GLU A 133 0.237 -5.515 7.082 1.00 51.29 H new ATOM 1030 N THR A 134 3.107 -3.911 3.846 1.00 37.68 N ATOM 1031 CA THR A 134 4.148 -4.015 2.796 1.00 40.25 C ATOM 1032 C THR A 134 4.767 -2.742 2.193 1.00 37.77 C ATOM 1033 O THR A 134 5.749 -2.793 1.482 1.00 34.22 O ATOM 1034 CB THR A 134 3.668 -4.905 1.688 1.00 41.01 C ATOM 1035 OG1 THR A 134 2.400 -4.428 1.283 1.00 41.91 O ATOM 1036 CG2 THR A 134 3.529 -6.335 2.153 1.00 47.10 C ATOM 0 H THR A 134 2.348 -3.559 3.646 1.00 37.68 H new ATOM 0 HA THR A 134 4.891 -4.380 3.302 1.00 40.25 H new ATOM 0 HB THR A 134 4.309 -4.889 0.960 1.00 41.01 H new ATOM 0 HG1 THR A 134 2.106 -4.908 0.660 1.00 41.91 H new ATOM 0 HG21 THR A 134 3.218 -6.886 1.418 1.00 47.10 H new ATOM 0 HG22 THR A 134 4.390 -6.661 2.459 1.00 47.10 H new ATOM 0 HG23 THR A 134 2.890 -6.378 2.881 1.00 47.10 H new ATOM 1037 N SER A 135 4.236 -1.591 2.502 1.00 32.61 N ATOM 1038 CA SER A 135 4.761 -0.407 1.907 1.00 31.70 C ATOM 1039 C SER A 135 6.050 0.086 2.649 1.00 33.39 C ATOM 1040 O SER A 135 5.985 0.512 3.769 1.00 29.52 O ATOM 1041 CB SER A 135 3.730 0.662 1.944 1.00 31.05 C ATOM 1042 OG ASER A 135 4.345 1.879 1.556 0.53 33.75 O ATOM 1043 OG BSER A 135 2.555 0.482 1.356 0.47 33.22 O ATOM 0 H SER A 135 3.580 -1.476 3.046 1.00 32.61 H new ATOM 0 HA SER A 135 5.001 -0.611 0.990 1.00 31.70 H new ATOM 0 HB2ASER A 135 2.997 0.447 1.346 0.53 31.05 H new ATOM 0 HB2BSER A 135 3.556 0.860 2.877 0.47 31.05 H new ATOM 0 HB3ASER A 135 3.355 0.741 2.835 0.53 31.05 H new ATOM 0 HB3BSER A 135 4.127 1.457 1.554 0.47 31.05 H new ATOM 0 HG ASER A 135 4.039 2.508 2.020 0.53 33.22 H new ATOM 0 HG BSER A 135 1.997 0.208 1.922 0.47 33.22 H new ATOM 1044 N THR A 136 7.151 0.212 1.951 1.00 30.49 N ATOM 1045 CA THR A 136 8.359 0.789 2.536 1.00 26.62 C ATOM 1046 C THR A 136 8.386 2.321 2.638 1.00 28.68 C ATOM 1047 O THR A 136 9.298 2.912 3.227 1.00 26.00 O ATOM 1048 CB THR A 136 9.620 0.361 1.697 1.00 31.27 C ATOM 1049 OG1 THR A 136 9.395 0.737 0.325 1.00 25.67 O ATOM 1050 CG2 THR A 136 9.747 -1.194 1.776 1.00 33.79 C ATOM 0 H THR A 136 7.232 -0.029 1.129 1.00 30.49 H new ATOM 0 HA THR A 136 8.367 0.443 3.442 1.00 26.62 H new ATOM 0 HB THR A 136 10.424 0.785 2.036 1.00 31.27 H new ATOM 0 HG1 THR A 136 10.060 0.517 -0.139 1.00 25.67 H new ATOM 0 HG21 THR A 136 10.519 -1.482 1.265 1.00 33.79 H new ATOM 0 HG22 THR A 136 9.853 -1.464 2.702 1.00 33.79 H new ATOM 0 HG23 THR A 136 8.947 -1.603 1.411 1.00 33.79 H new ATOM 1051 N ASN A 137 7.494 2.966 1.926 1.00 27.75 N ATOM 1052 CA ASN A 137 7.489 4.411 1.936 1.00 28.14 C ATOM 1053 C ASN A 137 7.013 4.971 3.290 1.00 23.33 C ATOM 1054 O ASN A 137 7.145 6.161 3.506 1.00 18.92 O ATOM 1055 CB ASN A 137 6.791 5.032 0.717 1.00 36.32 C ATOM 1056 CG ASN A 137 5.287 4.867 0.735 1.00 37.70 C ATOM 1057 OD1 ASN A 137 4.768 4.388 1.714 1.00 47.78 O ATOM 1058 ND2 ASN A 137 4.585 5.177 -0.407 1.00 41.29 N ATOM 0 H ASN A 137 6.891 2.597 1.437 1.00 27.75 H new ATOM 0 HA ASN A 137 8.412 4.693 1.841 1.00 28.14 H new ATOM 0 HB2 ASN A 137 7.005 5.977 0.677 1.00 36.32 H new ATOM 0 HB3 ASN A 137 7.144 4.627 -0.090 1.00 36.32 H new ATOM 0 HD21 ASN A 137 3.738 5.030 -0.444 1.00 41.29 H new ATOM 0 HD22 ASN A 137 4.993 5.517 -1.083 1.00 41.29 H new ATOM 1059 N GLN A 138 6.451 4.140 4.214 1.00 21.99 N ATOM 1060 CA GLN A 138 6.032 4.677 5.496 1.00 22.86 C ATOM 1061 C GLN A 138 7.046 4.162 6.534 1.00 29.37 C ATOM 1062 O GLN A 138 6.831 4.222 7.761 1.00 19.13 O ATOM 1063 CB GLN A 138 4.616 4.161 5.809 1.00 25.14 C ATOM 1064 CG GLN A 138 4.552 2.577 6.040 1.00 26.29 C ATOM 1065 CD GLN A 138 3.102 2.127 6.224 1.00 25.60 C ATOM 1066 OE1 GLN A 138 2.792 1.450 7.181 1.00 28.97 O ATOM 1067 NE2 GLN A 138 2.217 2.537 5.280 1.00 23.78 N ATOM 0 H GLN A 138 6.317 3.298 4.104 1.00 21.99 H new ATOM 0 HA GLN A 138 6.007 5.647 5.501 1.00 22.86 H new ATOM 0 HB2 GLN A 138 4.283 4.610 6.602 1.00 25.14 H new ATOM 0 HB3 GLN A 138 4.024 4.399 5.079 1.00 25.14 H new ATOM 0 HG2 GLN A 138 4.947 2.117 5.283 1.00 26.29 H new ATOM 0 HG3 GLN A 138 5.074 2.336 6.821 1.00 26.29 H new ATOM 0 HE21 GLN A 138 2.485 3.017 4.619 1.00 23.78 H new ATOM 0 HE22 GLN A 138 1.388 2.317 5.343 1.00 23.78 H new ATOM 1068 N LEU A 139 8.143 3.606 6.038 1.00 26.37 N ATOM 1069 CA LEU A 139 9.241 3.142 6.923 1.00 23.83 C ATOM 1070 C LEU A 139 10.328 4.222 6.994 1.00 25.84 C ATOM 1071 O LEU A 139 10.757 4.837 5.973 1.00 19.86 O ATOM 1072 CB LEU A 139 9.826 1.812 6.394 1.00 30.24 C ATOM 1073 CG LEU A 139 9.306 0.484 6.940 1.00 32.75 C ATOM 1074 CD1 LEU A 139 8.195 0.794 7.821 1.00 31.64 C ATOM 1075 CD2 LEU A 139 9.137 -0.739 5.960 1.00 27.03 C ATOM 0 H LEU A 139 8.284 3.483 5.199 1.00 26.37 H new ATOM 0 HA LEU A 139 8.894 2.986 7.815 1.00 23.83 H new ATOM 0 HB2 LEU A 139 9.696 1.801 5.433 1.00 30.24 H new ATOM 0 HB3 LEU A 139 10.783 1.834 6.550 1.00 30.24 H new ATOM 0 HG LEU A 139 10.024 0.069 7.443 1.00 32.75 H new ATOM 0 HD11 LEU A 139 7.835 -0.028 8.190 1.00 31.64 H new ATOM 0 HD12 LEU A 139 8.503 1.364 8.543 1.00 31.64 H new ATOM 0 HD13 LEU A 139 7.503 1.253 7.320 1.00 31.64 H new ATOM 0 HD21 LEU A 139 8.800 -1.504 6.452 1.00 27.03 H new ATOM 0 HD22 LEU A 139 8.511 -0.506 5.257 1.00 27.03 H new ATOM 0 HD23 LEU A 139 9.996 -0.960 5.567 1.00 27.03 H new ATOM 1076 N TRP A 140 10.928 4.360 8.167 1.00 19.41 N ATOM 1077 CA TRP A 140 11.938 5.432 8.369 1.00 20.77 C ATOM 1078 C TRP A 140 13.178 5.037 9.204 1.00 27.97 C ATOM 1079 O TRP A 140 13.100 4.210 10.078 1.00 27.37 O ATOM 1080 CB TRP A 140 11.360 6.665 9.077 1.00 24.50 C ATOM 1081 CG TRP A 140 10.189 7.254 8.368 1.00 21.28 C ATOM 1082 CD1 TRP A 140 8.881 6.905 8.536 1.00 23.43 C ATOM 1083 CD2 TRP A 140 10.239 8.291 7.368 1.00 22.67 C ATOM 1084 NE1 TRP A 140 8.097 7.627 7.645 1.00 19.03 N ATOM 1085 CE2 TRP A 140 8.892 8.507 6.943 1.00 23.28 C ATOM 1086 CE3 TRP A 140 11.294 9.047 6.769 1.00 22.37 C ATOM 1087 CZ2 TRP A 140 8.543 9.450 5.984 1.00 22.44 C ATOM 1088 CZ3 TRP A 140 10.948 10.020 5.780 1.00 23.27 C ATOM 1089 CH2 TRP A 140 9.575 10.210 5.401 1.00 17.24 C ATOM 0 H TRP A 140 10.780 3.864 8.854 1.00 19.41 H new ATOM 0 HA TRP A 140 12.206 5.615 7.455 1.00 20.77 H new ATOM 0 HB2 TRP A 140 11.095 6.419 9.977 1.00 24.50 H new ATOM 0 HB3 TRP A 140 12.053 7.338 9.159 1.00 24.50 H new ATOM 0 HD1 TRP A 140 8.564 6.282 9.150 1.00 23.43 H new ATOM 0 HE1 TRP A 140 7.247 7.539 7.547 1.00 19.03 H new ATOM 0 HE3 TRP A 140 12.180 8.910 7.016 1.00 22.37 H new ATOM 0 HZ2 TRP A 140 7.656 9.575 5.735 1.00 22.44 H new ATOM 0 HZ3 TRP A 140 11.614 10.532 5.381 1.00 23.27 H new ATOM 0 HH2 TRP A 140 9.364 10.848 4.758 1.00 17.24 H new ATOM 1090 N ALA A 141 14.323 5.565 8.849 1.00 27.56 N ATOM 1091 CA ALA A 141 15.586 5.246 9.613 1.00 23.94 C ATOM 1092 C ALA A 141 16.131 6.481 10.305 1.00 27.60 C ATOM 1093 O ALA A 141 16.004 7.614 9.832 1.00 28.35 O ATOM 1094 CB ALA A 141 16.657 4.621 8.682 1.00 27.41 C ATOM 0 H ALA A 141 14.426 6.104 8.187 1.00 27.56 H new ATOM 0 HA ALA A 141 15.362 4.593 10.295 1.00 23.94 H new ATOM 0 HB1 ALA A 141 17.457 4.425 9.194 1.00 27.41 H new ATOM 0 HB2 ALA A 141 16.312 3.801 8.296 1.00 27.41 H new ATOM 0 HB3 ALA A 141 16.873 5.246 7.972 1.00 27.41 H new ATOM 1095 N PHE A 142 16.656 6.289 11.506 1.00 24.72 N ATOM 1096 CA PHE A 142 17.114 7.432 12.292 1.00 26.89 C ATOM 1097 C PHE A 142 18.607 7.462 12.533 1.00 28.60 C ATOM 1098 O PHE A 142 19.184 6.442 12.995 1.00 30.55 O ATOM 1099 CB PHE A 142 16.448 7.439 13.683 1.00 27.96 C ATOM 1100 CG PHE A 142 14.954 7.737 13.674 1.00 29.54 C ATOM 1101 CD1 PHE A 142 14.486 8.906 14.254 1.00 24.46 C ATOM 1102 CD2 PHE A 142 14.040 6.851 13.070 1.00 25.39 C ATOM 1103 CE1 PHE A 142 13.054 9.220 14.228 1.00 22.47 C ATOM 1104 CE2 PHE A 142 12.648 7.164 13.062 1.00 31.31 C ATOM 1105 CZ PHE A 142 12.188 8.321 13.632 1.00 29.16 C ATOM 0 H PHE A 142 16.756 5.522 11.882 1.00 24.72 H new ATOM 0 HA PHE A 142 16.868 8.204 11.759 1.00 26.89 H new ATOM 0 HB2 PHE A 142 16.590 6.575 14.100 1.00 27.96 H new ATOM 0 HB3 PHE A 142 16.893 8.099 14.238 1.00 27.96 H new ATOM 0 HD1 PHE A 142 15.082 9.493 14.661 1.00 24.46 H new ATOM 0 HD2 PHE A 142 14.343 6.064 12.678 1.00 25.39 H new ATOM 0 HE1 PHE A 142 12.734 10.008 14.605 1.00 22.47 H new ATOM 0 HE2 PHE A 142 12.047 6.576 12.665 1.00 31.31 H new ATOM 0 HZ PHE A 142 11.277 8.506 13.618 1.00 29.16 H new ATOM 1106 N GLU A 143 19.232 8.623 12.316 1.00 25.78 N ATOM 1107 CA GLU A 143 20.680 8.708 12.518 1.00 32.56 C ATOM 1108 C GLU A 143 21.032 9.852 13.430 1.00 29.31 C ATOM 1109 O GLU A 143 20.611 10.940 13.155 1.00 26.05 O ATOM 1110 CB GLU A 143 21.448 8.838 11.153 1.00 35.97 C ATOM 1111 CG GLU A 143 22.974 8.448 11.355 1.00 42.72 C ATOM 1112 CD GLU A 143 23.937 8.836 10.233 1.00 49.17 C ATOM 1113 OE1 GLU A 143 23.511 9.232 9.122 1.00 49.17 O ATOM 1114 OE2 GLU A 143 25.162 8.730 10.485 1.00 52.99 O ATOM 0 H GLU A 143 18.851 9.350 12.060 1.00 25.78 H new ATOM 0 HA GLU A 143 20.960 7.881 12.940 1.00 32.56 H new ATOM 0 HB2 GLU A 143 21.043 8.259 10.488 1.00 35.97 H new ATOM 0 HB3 GLU A 143 21.379 9.746 10.819 1.00 35.97 H new ATOM 0 HG2 GLU A 143 23.285 8.859 12.177 1.00 42.72 H new ATOM 0 HG3 GLU A 143 23.027 7.488 11.481 1.00 42.72 H new ATOM 1115 N SER A 144 21.739 9.617 14.566 1.00 26.34 N ATOM 1116 CA SER A 144 22.102 10.704 15.473 1.00 27.61 C ATOM 1117 C SER A 144 22.887 11.817 14.816 1.00 32.90 C ATOM 1118 O SER A 144 23.648 11.480 14.002 1.00 32.13 O ATOM 1119 CB SER A 144 22.880 10.091 16.691 1.00 32.03 C ATOM 1120 OG SER A 144 22.048 9.154 17.339 1.00 36.55 O ATOM 0 H SER A 144 22.008 8.839 14.814 1.00 26.34 H new ATOM 0 HA SER A 144 21.283 11.130 15.771 1.00 27.61 H new ATOM 0 HB2 SER A 144 23.695 9.662 16.387 1.00 32.03 H new ATOM 0 HB3 SER A 144 23.141 10.791 17.309 1.00 32.03 H new ATOM 0 HG SER A 144 21.246 9.308 17.143 1.00 36.55 H new ATOM 1121 N VAL A 145 22.702 13.124 15.129 1.00 33.82 N ATOM 1122 CA VAL A 145 23.481 14.235 14.546 1.00 41.58 C ATOM 1123 C VAL A 145 24.754 14.311 15.457 1.00 50.08 C ATOM 1124 O VAL A 145 24.589 14.382 16.660 1.00 43.59 O ATOM 1125 CB VAL A 145 22.595 15.552 14.578 1.00 36.53 C ATOM 1126 CG1 VAL A 145 23.409 16.751 14.159 1.00 39.25 C ATOM 1127 CG2 VAL A 145 21.345 15.343 13.661 1.00 37.46 C ATOM 0 H VAL A 145 22.110 13.386 15.695 1.00 33.82 H new ATOM 0 HA VAL A 145 23.736 14.118 13.617 1.00 41.58 H new ATOM 0 HB VAL A 145 22.290 15.724 15.482 1.00 36.53 H new ATOM 0 HG11 VAL A 145 22.853 17.545 14.184 1.00 39.25 H new ATOM 0 HG12 VAL A 145 24.158 16.862 14.765 1.00 39.25 H new ATOM 0 HG13 VAL A 145 23.741 16.618 13.257 1.00 39.25 H new ATOM 0 HG21 VAL A 145 20.797 16.143 13.674 1.00 37.46 H new ATOM 0 HG22 VAL A 145 21.636 15.165 12.753 1.00 37.46 H new ATOM 0 HG23 VAL A 145 20.826 14.591 13.987 1.00 37.46 H new ATOM 1128 N SER A 146 26.004 14.319 14.954 1.00 53.60 N ATOM 1129 CA SER A 146 27.112 14.226 15.937 1.00 56.26 C ATOM 1130 C SER A 146 27.055 15.325 16.993 1.00 61.83 C ATOM 1131 O SER A 146 26.624 16.460 16.611 1.00 59.76 O ATOM 1132 CB SER A 146 28.479 14.221 15.239 1.00 57.19 C ATOM 1133 OG SER A 146 28.712 13.001 14.545 1.00 57.50 O ATOM 0 H SER A 146 26.223 14.372 14.124 1.00 53.60 H new ATOM 0 HA SER A 146 26.996 13.380 16.398 1.00 56.26 H new ATOM 0 HB2 SER A 146 28.527 14.962 14.615 1.00 57.19 H new ATOM 0 HB3 SER A 146 29.179 14.358 15.897 1.00 57.19 H new ATOM 0 HG SER A 146 28.903 13.166 13.744 1.00 57.50 H new ATOM 1134 N ALA A 147 27.327 15.052 18.306 1.00 57.67 N ATOM 1135 CA ALA A 147 27.287 16.335 19.085 1.00 59.69 C ATOM 1136 C ALA A 147 27.988 17.628 18.383 1.00 61.24 C ATOM 1137 O ALA A 147 29.030 17.634 17.545 1.00 60.58 O ATOM 1138 CB ALA A 147 28.080 15.982 20.447 1.00 59.31 C ATOM 0 H ALA A 147 27.501 14.307 18.699 1.00 57.67 H new ATOM 0 HA ALA A 147 26.362 16.608 19.189 1.00 59.69 H new ATOM 0 HB1 ALA A 147 28.104 16.764 21.020 1.00 59.31 H new ATOM 0 HB2 ALA A 147 27.627 15.259 20.907 1.00 59.31 H new ATOM 0 HB3 ALA A 147 28.986 15.711 20.233 1.00 59.31 H new TER 1139 ALA A 147 ATOM 1140 N SER B 1 -2.682 22.587 30.727 1.00 46.49 N ATOM 1141 CA SER B 1 -3.259 21.287 31.004 1.00 45.68 C ATOM 1142 C SER B 1 -2.885 20.957 32.448 1.00 43.38 C ATOM 1143 O SER B 1 -2.071 21.655 33.048 1.00 43.61 O ATOM 1144 CB SER B 1 -2.637 20.275 30.054 1.00 49.25 C ATOM 1145 OG SER B 1 -1.237 20.375 30.167 1.00 51.19 O ATOM 0 H1 SER B 1 -3.329 23.159 30.512 1.00 46.49 H new ATOM 0 H2 SER B 1 -2.254 22.882 31.449 1.00 46.49 H new ATOM 0 H3 SER B 1 -2.109 22.519 30.050 1.00 46.49 H new ATOM 0 HA SER B 1 -4.222 21.273 30.886 1.00 45.68 H new ATOM 0 HB2 SER B 1 -2.932 19.377 30.274 1.00 49.25 H new ATOM 0 HB3 SER B 1 -2.917 20.450 29.142 1.00 49.25 H new ATOM 0 HG SER B 1 -0.952 19.766 30.671 1.00 51.19 H new ATOM 1146 N ILE B 2 -3.431 19.884 33.009 1.00 38.51 N ATOM 1147 CA ILE B 2 -3.067 19.588 34.401 1.00 37.24 C ATOM 1148 C ILE B 2 -1.568 19.493 34.723 1.00 34.83 C ATOM 1149 O ILE B 2 -0.765 18.860 34.017 1.00 31.85 O ATOM 1150 CB ILE B 2 -3.786 18.361 34.886 1.00 37.91 C ATOM 1151 CG1 ILE B 2 -3.635 18.267 36.407 1.00 35.61 C ATOM 1152 CG2 ILE B 2 -3.329 17.083 34.040 1.00 32.09 C ATOM 1153 CD1 ILE B 2 -4.727 17.485 37.043 1.00 35.28 C ATOM 0 H ILE B 2 -3.982 19.341 32.634 1.00 38.51 H new ATOM 0 HA ILE B 2 -3.358 20.377 34.885 1.00 37.24 H new ATOM 0 HB ILE B 2 -4.742 18.410 34.729 1.00 37.91 H new ATOM 0 HG12 ILE B 2 -2.782 17.857 36.619 1.00 35.61 H new ATOM 0 HG13 ILE B 2 -3.621 19.161 36.783 1.00 35.61 H new ATOM 0 HG21 ILE B 2 -3.799 16.297 34.361 1.00 32.09 H new ATOM 0 HG22 ILE B 2 -3.537 17.223 33.103 1.00 32.09 H new ATOM 0 HG23 ILE B 2 -2.373 16.952 34.142 1.00 32.09 H new ATOM 0 HD11 ILE B 2 -4.587 17.454 38.002 1.00 35.28 H new ATOM 0 HD12 ILE B 2 -5.580 17.907 36.854 1.00 35.28 H new ATOM 0 HD13 ILE B 2 -4.728 16.582 36.688 1.00 35.28 H new ATOM 1154 N THR B 3 -1.168 20.069 35.847 1.00 32.75 N ATOM 1155 CA THR B 3 0.233 20.022 36.163 1.00 37.08 C ATOM 1156 C THR B 3 0.688 18.638 36.669 1.00 36.52 C ATOM 1157 O THR B 3 -0.037 17.972 37.389 1.00 38.58 O ATOM 1158 CB THR B 3 0.521 21.109 37.227 1.00 37.52 C ATOM 1159 OG1 THR B 3 0.056 22.379 36.719 1.00 43.32 O ATOM 1160 CG2 THR B 3 1.951 21.201 37.486 1.00 40.00 C ATOM 0 H THR B 3 -1.672 20.474 36.414 1.00 32.75 H new ATOM 0 HA THR B 3 0.737 20.188 35.351 1.00 37.08 H new ATOM 0 HB THR B 3 0.066 20.879 38.052 1.00 37.52 H new ATOM 0 HG1 THR B 3 0.204 22.980 37.287 1.00 43.32 H new ATOM 0 HG21 THR B 3 2.116 21.885 38.154 1.00 40.00 H new ATOM 0 HG22 THR B 3 2.277 20.347 37.811 1.00 40.00 H new ATOM 0 HG23 THR B 3 2.414 21.432 36.666 1.00 40.00 H new ATOM 1161 N PRO B 4 1.841 18.149 36.217 1.00 34.13 N ATOM 1162 CA PRO B 4 2.348 16.847 36.674 1.00 34.95 C ATOM 1163 C PRO B 4 2.412 16.881 38.194 1.00 36.15 C ATOM 1164 O PRO B 4 2.807 17.914 38.783 1.00 35.57 O ATOM 1165 CB PRO B 4 3.790 16.820 36.183 1.00 32.81 C ATOM 1166 CG PRO B 4 3.771 17.652 34.957 1.00 32.80 C ATOM 1167 CD PRO B 4 2.775 18.765 35.250 1.00 33.47 C ATOM 0 HA PRO B 4 1.809 16.101 36.368 1.00 34.95 H new ATOM 0 HB2 PRO B 4 4.398 17.181 36.847 1.00 32.81 H new ATOM 0 HB3 PRO B 4 4.083 15.915 35.993 1.00 32.81 H new ATOM 0 HG2 PRO B 4 4.651 18.011 34.763 1.00 32.80 H new ATOM 0 HG3 PRO B 4 3.499 17.132 34.184 1.00 32.80 H new ATOM 0 HD2 PRO B 4 3.212 19.546 35.624 1.00 33.47 H new ATOM 0 HD3 PRO B 4 2.316 19.055 34.446 1.00 33.47 H new ATOM 1168 N GLY B 5 2.234 15.707 38.790 1.00 34.00 N ATOM 1169 CA GLY B 5 2.119 15.638 40.254 1.00 33.40 C ATOM 1170 C GLY B 5 1.342 14.394 40.655 1.00 38.57 C ATOM 1171 O GLY B 5 0.999 13.589 39.777 1.00 32.50 O ATOM 0 H GLY B 5 2.177 14.952 38.382 1.00 34.00 H new ATOM 0 HA2 GLY B 5 3.002 15.621 40.655 1.00 33.40 H new ATOM 0 HA3 GLY B 5 1.671 16.431 40.589 1.00 33.40 H new ATOM 1172 N THR B 6 0.920 14.337 41.935 1.00 35.76 N ATOM 1173 CA THR B 6 0.285 13.151 42.494 1.00 30.58 C ATOM 1174 C THR B 6 -1.031 13.599 42.987 1.00 32.89 C ATOM 1175 O THR B 6 -1.169 14.585 43.725 1.00 34.20 O ATOM 1176 CB THR B 6 1.220 12.558 43.627 1.00 30.37 C ATOM 1177 OG1 THR B 6 2.406 12.073 43.031 1.00 31.56 O ATOM 1178 CG2 THR B 6 0.595 11.391 44.318 1.00 30.33 C ATOM 0 H THR B 6 0.999 14.988 42.491 1.00 35.76 H new ATOM 0 HA THR B 6 0.156 12.435 41.853 1.00 30.58 H new ATOM 0 HB THR B 6 1.381 13.270 44.266 1.00 30.37 H new ATOM 0 HG1 THR B 6 2.909 11.757 43.625 1.00 31.56 H new ATOM 0 HG21 THR B 6 1.198 11.059 45.002 1.00 30.33 H new ATOM 0 HG22 THR B 6 -0.239 11.667 44.729 1.00 30.33 H new ATOM 0 HG23 THR B 6 0.420 10.688 43.673 1.00 30.33 H new ATOM 1179 N TYR B 7 -2.025 12.900 42.526 1.00 27.50 N ATOM 1180 CA TYR B 7 -3.400 13.261 42.783 1.00 33.63 C ATOM 1181 C TYR B 7 -4.375 12.207 43.260 1.00 36.77 C ATOM 1182 O TYR B 7 -4.278 10.998 42.918 1.00 34.76 O ATOM 1183 CB TYR B 7 -4.050 13.922 41.477 1.00 25.21 C ATOM 1184 CG TYR B 7 -3.373 15.135 40.911 1.00 32.80 C ATOM 1185 CD1 TYR B 7 -3.774 16.450 41.288 1.00 33.07 C ATOM 1186 CD2 TYR B 7 -2.278 15.006 40.040 1.00 29.06 C ATOM 1187 CE1 TYR B 7 -3.053 17.575 40.773 1.00 37.39 C ATOM 1188 CE2 TYR B 7 -1.589 16.060 39.561 1.00 32.53 C ATOM 1189 CZ TYR B 7 -1.970 17.376 39.920 1.00 33.51 C ATOM 1190 OH TYR B 7 -1.197 18.417 39.425 1.00 36.73 O ATOM 0 H TYR B 7 -1.930 12.192 42.048 1.00 27.50 H new ATOM 0 HA TYR B 7 -3.290 13.857 43.540 1.00 33.63 H new ATOM 0 HB2 TYR B 7 -4.083 13.245 40.783 1.00 25.21 H new ATOM 0 HB3 TYR B 7 -4.967 14.160 41.685 1.00 25.21 H new ATOM 0 HD1 TYR B 7 -4.495 16.576 41.862 1.00 33.07 H new ATOM 0 HD2 TYR B 7 -2.016 14.152 39.782 1.00 29.06 H new ATOM 0 HE1 TYR B 7 -3.308 18.438 41.008 1.00 37.39 H new ATOM 0 HE2 TYR B 7 -0.864 15.924 38.995 1.00 32.53 H new ATOM 0 HH TYR B 7 -1.028 18.280 38.614 1.00 36.73 H new ATOM 1191 N ASN B 8 -5.297 12.656 44.113 1.00 30.50 N ATOM 1192 CA ASN B 8 -6.453 11.853 44.328 1.00 34.05 C ATOM 1193 C ASN B 8 -7.406 12.211 43.167 1.00 32.00 C ATOM 1194 O ASN B 8 -7.621 13.374 42.792 1.00 35.27 O ATOM 1195 CB ASN B 8 -7.215 12.224 45.616 1.00 37.92 C ATOM 1196 CG ASN B 8 -6.474 11.822 46.869 1.00 39.84 C ATOM 1197 OD1 ASN B 8 -6.451 12.596 47.821 1.00 39.92 O ATOM 1198 ND2 ASN B 8 -5.907 10.596 46.905 1.00 34.40 N ATOM 0 H ASN B 8 -5.260 13.394 44.552 1.00 30.50 H new ATOM 0 HA ASN B 8 -6.184 10.923 44.389 1.00 34.05 H new ATOM 0 HB2 ASN B 8 -7.371 13.181 45.630 1.00 37.92 H new ATOM 0 HB3 ASN B 8 -8.085 11.795 45.608 1.00 37.92 H new ATOM 0 HD21 ASN B 8 -5.507 10.328 47.618 1.00 34.40 H new ATOM 0 HD22 ASN B 8 -5.946 10.084 46.215 1.00 34.40 H new ATOM 1199 N ILE B 9 -8.015 11.213 42.616 1.00 29.73 N ATOM 1200 CA ILE B 9 -9.070 11.406 41.502 1.00 33.02 C ATOM 1201 C ILE B 9 -10.484 10.915 41.842 1.00 31.02 C ATOM 1202 O ILE B 9 -10.808 9.694 41.800 1.00 34.89 O ATOM 1203 CB ILE B 9 -8.571 10.759 40.122 1.00 27.88 C ATOM 1204 CG1 ILE B 9 -7.104 11.106 39.922 1.00 29.25 C ATOM 1205 CG2 ILE B 9 -9.479 11.267 38.836 1.00 28.93 C ATOM 1206 CD1 ILE B 9 -6.361 10.113 38.871 1.00 24.23 C ATOM 0 H ILE B 9 -7.875 10.392 42.830 1.00 29.73 H new ATOM 0 HA ILE B 9 -9.152 12.368 41.410 1.00 33.02 H new ATOM 0 HB ILE B 9 -8.678 9.796 40.172 1.00 27.88 H new ATOM 0 HG12 ILE B 9 -7.032 12.020 39.604 1.00 29.25 H new ATOM 0 HG13 ILE B 9 -6.647 11.067 40.777 1.00 29.25 H new ATOM 0 HG21 ILE B 9 -9.147 10.855 38.023 1.00 28.93 H new ATOM 0 HG22 ILE B 9 -10.405 11.012 38.973 1.00 28.93 H new ATOM 0 HG23 ILE B 9 -9.418 12.232 38.758 1.00 28.93 H new ATOM 0 HD11 ILE B 9 -5.432 10.376 38.779 1.00 24.23 H new ATOM 0 HD12 ILE B 9 -6.408 9.201 39.198 1.00 24.23 H new ATOM 0 HD13 ILE B 9 -6.799 10.169 38.007 1.00 24.23 H new ATOM 1207 N THR B 10 -11.406 11.887 41.956 1.00 34.32 N ATOM 1208 CA THR B 10 -12.791 11.602 42.318 1.00 30.96 C ATOM 1209 C THR B 10 -13.730 11.835 41.150 1.00 32.63 C ATOM 1210 O THR B 10 -13.601 12.792 40.338 1.00 30.83 O ATOM 1211 CB ATHR B 10 -13.281 12.508 43.512 0.36 39.60 C ATOM 1212 CB BTHR B 10 -13.257 12.425 43.643 0.64 40.69 C ATOM 1213 OG1ATHR B 10 -14.714 12.386 43.678 0.36 39.59 O ATOM 1214 OG1BTHR B 10 -12.277 12.312 44.659 0.64 32.52 O ATOM 1215 CG2ATHR B 10 -12.930 13.953 43.222 0.36 35.95 C ATOM 1216 CG2BTHR B 10 -14.574 11.876 44.214 0.64 39.13 C ATOM 0 H THR B 10 -11.240 12.721 41.825 1.00 34.32 H new ATOM 0 HA THR B 10 -12.810 10.669 42.582 1.00 30.96 H new ATOM 0 HB ATHR B 10 -12.843 12.219 44.328 0.36 40.69 H new ATOM 0 HB BTHR B 10 -13.376 13.349 43.373 0.64 40.69 H new ATOM 0 HG1ATHR B 10 -14.965 12.871 44.317 0.36 32.52 H new ATOM 0 HG1BTHR B 10 -12.526 12.741 45.337 0.64 32.52 H new ATOM 0 HG21ATHR B 10 -13.230 14.513 43.955 0.36 39.13 H new ATOM 0 HG21BTHR B 10 -14.824 12.386 45.000 0.64 39.13 H new ATOM 0 HG22ATHR B 10 -11.969 14.039 43.123 0.36 39.13 H new ATOM 0 HG22BTHR B 10 -15.273 11.951 43.545 0.64 39.13 H new ATOM 0 HG23ATHR B 10 -13.366 14.234 42.402 0.36 39.13 H new ATOM 0 HG23BTHR B 10 -14.458 10.944 44.457 0.64 39.13 H new ATOM 1217 N ASN B 11 -14.624 10.912 41.036 1.00 31.66 N ATOM 1218 CA ASN B 11 -15.640 10.997 40.011 1.00 35.02 C ATOM 1219 C ASN B 11 -16.641 12.192 40.232 1.00 41.04 C ATOM 1220 O ASN B 11 -16.919 12.650 41.393 1.00 36.06 O ATOM 1221 CB ASN B 11 -16.337 9.684 39.951 1.00 33.94 C ATOM 1222 CG ASN B 11 -17.269 9.578 38.725 1.00 38.28 C ATOM 1223 OD1 ASN B 11 -18.464 9.663 38.871 1.00 34.71 O ATOM 1224 ND2 ASN B 11 -16.710 9.337 37.549 1.00 29.63 N ATOM 0 H ASN B 11 -14.673 10.216 41.539 1.00 31.66 H new ATOM 0 HA ASN B 11 -15.217 11.189 39.159 1.00 35.02 H new ATOM 0 HB2 ASN B 11 -15.680 8.971 39.919 1.00 33.94 H new ATOM 0 HB3 ASN B 11 -16.855 9.556 40.761 1.00 33.94 H new ATOM 0 HD21 ASN B 11 -17.203 9.234 36.852 1.00 29.63 H new ATOM 0 HD22 ASN B 11 -15.854 9.283 37.483 1.00 29.63 H new ATOM 1225 N VAL B 12 -17.167 12.714 39.122 1.00 40.56 N ATOM 1226 CA VAL B 12 -18.046 13.872 39.238 1.00 40.13 C ATOM 1227 C VAL B 12 -19.487 13.462 39.473 1.00 36.82 C ATOM 1228 O VAL B 12 -20.266 14.151 40.166 1.00 44.06 O ATOM 1229 CB VAL B 12 -17.841 14.809 38.002 1.00 31.06 C ATOM 1230 CG1 VAL B 12 -19.102 15.764 37.863 1.00 37.25 C ATOM 1231 CG2 VAL B 12 -16.565 15.652 38.203 1.00 34.84 C ATOM 0 H VAL B 12 -17.033 12.425 38.323 1.00 40.56 H new ATOM 0 HA VAL B 12 -17.807 14.385 40.026 1.00 40.13 H new ATOM 0 HB VAL B 12 -17.746 14.278 37.196 1.00 31.06 H new ATOM 0 HG11 VAL B 12 -18.983 16.349 37.098 1.00 37.25 H new ATOM 0 HG12 VAL B 12 -19.901 15.229 37.739 1.00 37.25 H new ATOM 0 HG13 VAL B 12 -19.193 16.299 38.667 1.00 37.25 H new ATOM 0 HG21 VAL B 12 -16.437 16.233 37.437 1.00 34.84 H new ATOM 0 HG22 VAL B 12 -16.655 16.190 39.005 1.00 34.84 H new ATOM 0 HG23 VAL B 12 -15.799 15.064 38.293 1.00 34.84 H new ATOM 1232 N ALA B 13 -19.896 12.395 38.838 1.00 35.72 N ATOM 1233 CA ALA B 13 -21.235 11.900 39.005 1.00 39.31 C ATOM 1234 C ALA B 13 -21.351 11.354 40.416 1.00 42.72 C ATOM 1235 O ALA B 13 -22.280 11.677 41.149 1.00 39.01 O ATOM 1236 CB ALA B 13 -21.471 10.824 38.053 1.00 30.91 C ATOM 0 H ALA B 13 -19.408 11.936 38.298 1.00 35.72 H new ATOM 0 HA ALA B 13 -21.883 12.606 38.855 1.00 39.31 H new ATOM 0 HB1 ALA B 13 -22.374 10.487 38.163 1.00 30.91 H new ATOM 0 HB2 ALA B 13 -21.359 11.160 37.150 1.00 30.91 H new ATOM 0 HB3 ALA B 13 -20.837 10.107 38.211 1.00 30.91 H new ATOM 1237 N TYR B 14 -20.293 10.681 40.845 1.00 39.53 N ATOM 1238 CA TYR B 14 -20.313 9.976 42.151 1.00 40.44 C ATOM 1239 C TYR B 14 -19.212 10.533 42.999 1.00 38.97 C ATOM 1240 O TYR B 14 -18.058 10.060 43.004 1.00 40.18 O ATOM 1241 CB TYR B 14 -20.131 8.474 41.898 1.00 41.16 C ATOM 1242 CG TYR B 14 -21.168 7.935 40.965 1.00 41.25 C ATOM 1243 CD1 TYR B 14 -22.514 8.255 41.145 1.00 43.44 C ATOM 1244 CD2 TYR B 14 -20.822 7.137 39.896 1.00 40.76 C ATOM 1245 CE1 TYR B 14 -23.460 7.789 40.289 1.00 41.44 C ATOM 1246 CE2 TYR B 14 -21.758 6.662 39.033 1.00 40.00 C ATOM 1247 CZ TYR B 14 -23.075 7.000 39.238 1.00 42.99 C ATOM 1248 OH TYR B 14 -23.997 6.590 38.365 1.00 36.20 O ATOM 0 H TYR B 14 -19.554 10.612 40.410 1.00 39.53 H new ATOM 0 HA TYR B 14 -21.155 10.104 42.615 1.00 40.44 H new ATOM 0 HB2 TYR B 14 -19.249 8.313 41.528 1.00 41.16 H new ATOM 0 HB3 TYR B 14 -20.176 7.997 42.741 1.00 41.16 H new ATOM 0 HD1 TYR B 14 -22.767 8.794 41.860 1.00 43.44 H new ATOM 0 HD2 TYR B 14 -19.928 6.919 39.762 1.00 40.76 H new ATOM 0 HE1 TYR B 14 -24.356 8.003 40.415 1.00 41.44 H new ATOM 0 HE2 TYR B 14 -21.513 6.120 38.318 1.00 40.00 H new ATOM 0 HH TYR B 14 -24.611 7.162 38.316 1.00 36.20 H new ATOM 1249 N THR B 15 -19.545 11.551 43.766 1.00 39.17 N ATOM 1250 CA THR B 15 -18.477 12.226 44.483 1.00 36.63 C ATOM 1251 C THR B 15 -17.871 11.474 45.698 1.00 38.55 C ATOM 1252 O THR B 15 -16.931 11.926 46.314 1.00 36.43 O ATOM 1253 CB THR B 15 -18.859 13.681 44.851 1.00 44.59 C ATOM 1254 OG1 THR B 15 -19.852 13.648 45.872 1.00 41.61 O ATOM 1255 CG2 THR B 15 -19.384 14.468 43.595 1.00 39.16 C ATOM 0 H THR B 15 -20.340 11.858 43.885 1.00 39.17 H new ATOM 0 HA THR B 15 -17.753 12.238 43.838 1.00 36.63 H new ATOM 0 HB THR B 15 -18.071 14.146 45.172 1.00 44.59 H new ATOM 0 HG1 THR B 15 -20.066 14.433 46.081 1.00 41.61 H new ATOM 0 HG21 THR B 15 -19.615 15.374 43.854 1.00 39.16 H new ATOM 0 HG22 THR B 15 -18.692 14.493 42.916 1.00 39.16 H new ATOM 0 HG23 THR B 15 -20.169 14.023 43.239 1.00 39.16 H new ATOM 1256 N ASN B 16 -18.381 10.317 46.047 1.00 36.87 N ATOM 1257 CA ASN B 16 -17.713 9.631 47.150 1.00 42.38 C ATOM 1258 C ASN B 16 -16.859 8.512 46.577 1.00 42.10 C ATOM 1259 O ASN B 16 -16.565 7.539 47.256 1.00 39.89 O ATOM 1260 CB ASN B 16 -18.727 9.048 48.091 1.00 40.70 C ATOM 1261 CG ASN B 16 -19.870 8.402 47.384 1.00 42.55 C ATOM 1262 OD1 ASN B 16 -19.978 8.400 46.122 1.00 41.55 O ATOM 1263 ND2 ASN B 16 -20.801 7.894 48.190 1.00 44.02 N ATOM 0 H ASN B 16 -19.062 9.926 45.696 1.00 36.87 H new ATOM 0 HA ASN B 16 -17.162 10.263 47.638 1.00 42.38 H new ATOM 0 HB2 ASN B 16 -18.294 8.394 48.661 1.00 40.70 H new ATOM 0 HB3 ASN B 16 -19.065 9.749 48.670 1.00 40.70 H new ATOM 0 HD21 ASN B 16 -21.513 7.545 47.858 1.00 44.02 H new ATOM 0 HD22 ASN B 16 -20.690 7.915 49.042 1.00 44.02 H new ATOM 1264 N ARG B 17 -16.465 8.652 45.315 1.00 35.80 N ATOM 1265 CA ARG B 17 -15.753 7.507 44.680 1.00 34.80 C ATOM 1266 C ARG B 17 -14.453 7.925 44.068 1.00 36.19 C ATOM 1267 O ARG B 17 -14.447 8.892 43.293 1.00 33.30 O ATOM 1268 CB ARG B 17 -16.685 6.828 43.671 1.00 33.64 C ATOM 1269 CG ARG B 17 -17.917 6.305 44.262 1.00 32.58 C ATOM 1270 CD ARG B 17 -17.586 4.989 45.067 1.00 33.94 C ATOM 1271 NE ARG B 17 -18.788 4.439 45.697 1.00 37.64 N ATOM 1272 CZ ARG B 17 -19.121 4.617 46.993 1.00 38.10 C ATOM 1273 NH1 ARG B 17 -18.386 5.291 47.805 1.00 35.63 N ATOM 1274 NH2 ARG B 17 -20.209 4.119 47.521 1.00 33.20 N ATOM 0 H ARG B 17 -16.582 9.348 44.823 1.00 35.80 H new ATOM 0 HA ARG B 17 -15.521 6.861 45.365 1.00 34.80 H new ATOM 0 HB2 ARG B 17 -16.915 7.465 42.977 1.00 33.64 H new ATOM 0 HB3 ARG B 17 -16.208 6.100 43.242 1.00 33.64 H new ATOM 0 HG2 ARG B 17 -18.313 6.967 44.851 1.00 32.58 H new ATOM 0 HG3 ARG B 17 -18.568 6.118 43.568 1.00 32.58 H new ATOM 0 HD2 ARG B 17 -17.200 4.330 44.470 1.00 33.94 H new ATOM 0 HD3 ARG B 17 -16.920 5.181 45.746 1.00 33.94 H new ATOM 0 HE ARG B 17 -19.318 3.971 45.208 1.00 37.64 H new ATOM 0 HH11 ARG B 17 -17.654 5.647 47.528 1.00 35.63 H new ATOM 0 HH12 ARG B 17 -18.627 5.386 48.625 1.00 35.63 H new ATOM 0 HH21 ARG B 17 -20.748 3.655 47.038 1.00 33.20 H new ATOM 0 HH22 ARG B 17 -20.385 4.255 48.352 1.00 33.20 H new ATOM 1275 N LEU B 18 -13.334 7.202 44.357 1.00 29.93 N ATOM 1276 CA LEU B 18 -12.034 7.714 43.852 1.00 27.18 C ATOM 1277 C LEU B 18 -11.550 6.575 42.964 1.00 27.66 C ATOM 1278 O LEU B 18 -11.987 5.437 43.088 1.00 27.21 O ATOM 1279 CB LEU B 18 -10.949 7.966 44.977 1.00 28.75 C ATOM 1280 CG LEU B 18 -10.823 9.248 45.870 1.00 29.64 C ATOM 1281 CD1 LEU B 18 -12.013 9.299 46.876 1.00 32.67 C ATOM 1282 CD2 LEU B 18 -9.470 9.408 46.649 1.00 30.14 C ATOM 0 H LEU B 18 -13.307 6.470 44.808 1.00 29.93 H new ATOM 0 HA LEU B 18 -12.152 8.575 43.421 1.00 27.18 H new ATOM 0 HB2 LEU B 18 -11.037 7.224 45.596 1.00 28.75 H new ATOM 0 HB3 LEU B 18 -10.090 7.868 44.538 1.00 28.75 H new ATOM 0 HG LEU B 18 -10.843 9.992 45.248 1.00 29.64 H new ATOM 0 HD11 LEU B 18 -11.936 10.092 47.429 1.00 32.67 H new ATOM 0 HD12 LEU B 18 -12.850 9.327 46.386 1.00 32.67 H new ATOM 0 HD13 LEU B 18 -11.995 8.510 47.439 1.00 32.67 H new ATOM 0 HD21 LEU B 18 -9.491 10.227 47.169 1.00 30.14 H new ATOM 0 HD22 LEU B 18 -9.347 8.651 47.243 1.00 30.14 H new ATOM 0 HD23 LEU B 18 -8.735 9.445 46.017 1.00 30.14 H new ATOM 1283 N ILE B 19 -10.676 6.901 42.040 1.00 23.90 N ATOM 1284 CA ILE B 19 -10.071 5.824 41.247 1.00 25.50 C ATOM 1285 C ILE B 19 -9.116 5.138 42.290 1.00 17.48 C ATOM 1286 O ILE B 19 -8.227 5.827 42.852 1.00 24.26 O ATOM 1287 CB ILE B 19 -9.184 6.547 40.148 1.00 24.03 C ATOM 1288 CG1 ILE B 19 -10.226 7.259 39.263 1.00 24.78 C ATOM 1289 CG2 ILE B 19 -8.526 5.429 39.196 1.00 21.73 C ATOM 1290 CD1 ILE B 19 -9.516 7.834 37.979 1.00 23.52 C ATOM 0 H ILE B 19 -10.419 7.700 41.851 1.00 23.90 H new ATOM 0 HA ILE B 19 -10.690 5.206 40.828 1.00 25.50 H new ATOM 0 HB ILE B 19 -8.502 7.115 40.539 1.00 24.03 H new ATOM 0 HG12 ILE B 19 -10.926 6.638 39.007 1.00 24.78 H new ATOM 0 HG13 ILE B 19 -10.650 7.977 39.759 1.00 24.78 H new ATOM 0 HG21 ILE B 19 -7.981 5.860 38.519 1.00 21.73 H new ATOM 0 HG22 ILE B 19 -7.972 4.836 39.728 1.00 21.73 H new ATOM 0 HG23 ILE B 19 -9.228 4.916 38.766 1.00 21.73 H new ATOM 0 HD11 ILE B 19 -10.170 8.283 37.421 1.00 23.52 H new ATOM 0 HD12 ILE B 19 -8.830 8.466 38.244 1.00 23.52 H new ATOM 0 HD13 ILE B 19 -9.110 7.107 37.481 1.00 23.52 H new ATOM 1291 N ASP B 20 -9.155 3.813 42.226 1.00 27.76 N ATOM 1292 CA ASP B 20 -8.568 2.976 43.305 1.00 27.68 C ATOM 1293 C ASP B 20 -8.121 1.672 42.624 1.00 25.26 C ATOM 1294 O ASP B 20 -8.839 1.115 41.864 1.00 25.64 O ATOM 1295 CB ASP B 20 -9.764 2.622 44.213 1.00 27.74 C ATOM 1296 CG ASP B 20 -9.448 1.674 45.342 1.00 31.22 C ATOM 1297 OD1 ASP B 20 -8.972 0.566 45.073 1.00 24.83 O ATOM 1298 OD2 ASP B 20 -9.758 2.095 46.502 1.00 30.11 O ATOM 0 H ASP B 20 -9.509 3.370 41.580 1.00 27.76 H new ATOM 0 HA ASP B 20 -7.840 3.402 43.785 1.00 27.68 H new ATOM 0 HB2 ASP B 20 -10.122 3.442 44.588 1.00 27.74 H new ATOM 0 HB3 ASP B 20 -10.463 2.231 43.666 1.00 27.74 H new ATOM 1299 N LEU B 21 -6.924 1.259 42.942 1.00 22.89 N ATOM 1300 CA LEU B 21 -6.343 -0.020 42.422 1.00 25.11 C ATOM 1301 C LEU B 21 -6.809 -1.137 43.422 1.00 26.06 C ATOM 1302 O LEU B 21 -6.412 -1.116 44.575 1.00 21.61 O ATOM 1303 CB LEU B 21 -4.821 0.084 42.376 1.00 21.11 C ATOM 1304 CG LEU B 21 -4.109 -1.223 41.798 1.00 21.96 C ATOM 1305 CD1 LEU B 21 -4.527 -1.301 40.272 1.00 19.44 C ATOM 1306 CD2 LEU B 21 -2.590 -1.096 41.885 1.00 19.46 C ATOM 0 H LEU B 21 -6.398 1.692 43.466 1.00 22.89 H new ATOM 0 HA LEU B 21 -6.639 -0.219 41.520 1.00 25.11 H new ATOM 0 HB2 LEU B 21 -4.573 0.847 41.830 1.00 21.11 H new ATOM 0 HB3 LEU B 21 -4.489 0.255 43.271 1.00 21.11 H new ATOM 0 HG LEU B 21 -4.372 -2.010 42.300 1.00 21.96 H new ATOM 0 HD11 LEU B 21 -4.121 -2.082 39.865 1.00 19.44 H new ATOM 0 HD12 LEU B 21 -5.492 -1.366 40.204 1.00 19.44 H new ATOM 0 HD13 LEU B 21 -4.224 -0.502 39.812 1.00 19.44 H new ATOM 0 HD21 LEU B 21 -2.177 -1.899 41.530 1.00 19.46 H new ATOM 0 HD22 LEU B 21 -2.299 -0.328 41.369 1.00 19.46 H new ATOM 0 HD23 LEU B 21 -2.327 -0.981 42.812 1.00 19.46 H new ATOM 1307 N THR B 22 -7.650 -2.071 42.965 1.00 26.86 N ATOM 1308 CA THR B 22 -8.317 -3.089 43.854 1.00 24.98 C ATOM 1309 C THR B 22 -7.314 -3.750 44.859 1.00 27.47 C ATOM 1310 O THR B 22 -6.271 -4.267 44.450 1.00 20.39 O ATOM 1311 CB THR B 22 -8.892 -4.219 43.045 1.00 18.43 C ATOM 1312 OG1 THR B 22 -9.916 -3.677 42.157 1.00 26.92 O ATOM 1313 CG2 THR B 22 -9.616 -5.316 44.006 1.00 27.72 C ATOM 0 H THR B 22 -7.861 -2.147 42.135 1.00 26.86 H new ATOM 0 HA THR B 22 -9.005 -2.600 44.331 1.00 24.98 H new ATOM 0 HB THR B 22 -8.171 -4.643 42.554 1.00 18.43 H new ATOM 0 HG1 THR B 22 -9.554 -3.385 41.457 1.00 26.92 H new ATOM 0 HG21 THR B 22 -9.978 -6.033 43.463 1.00 27.72 H new ATOM 0 HG22 THR B 22 -8.967 -5.679 44.629 1.00 27.72 H new ATOM 0 HG23 THR B 22 -10.334 -4.890 44.499 1.00 27.72 H new ATOM 1314 N GLY B 23 -7.568 -3.591 46.170 1.00 30.13 N ATOM 1315 CA GLY B 23 -6.750 -4.242 47.180 1.00 24.94 C ATOM 1316 C GLY B 23 -5.285 -3.913 47.162 1.00 29.65 C ATOM 1317 O GLY B 23 -4.532 -4.631 47.805 1.00 26.05 O ATOM 0 H GLY B 23 -8.209 -3.110 46.483 1.00 30.13 H new ATOM 0 HA2 GLY B 23 -7.103 -4.011 48.053 1.00 24.94 H new ATOM 0 HA3 GLY B 23 -6.848 -5.202 47.079 1.00 24.94 H new ATOM 1318 N SER B 24 -4.864 -2.746 46.630 1.00 25.13 N ATOM 1319 CA SER B 24 -3.443 -2.433 46.583 1.00 22.36 C ATOM 1320 C SER B 24 -2.689 -3.649 45.992 1.00 21.18 C ATOM 1321 O SER B 24 -1.585 -3.920 46.305 1.00 25.95 O ATOM 1322 CB SER B 24 -2.879 -2.106 47.930 1.00 24.83 C ATOM 1323 OG SER B 24 -3.444 -0.935 48.347 1.00 24.20 O ATOM 0 H SER B 24 -5.381 -2.143 46.301 1.00 25.13 H new ATOM 0 HA SER B 24 -3.330 -1.645 46.028 1.00 22.36 H new ATOM 0 HB2 SER B 24 -3.069 -2.818 48.560 1.00 24.83 H new ATOM 0 HB3 SER B 24 -1.914 -2.020 47.882 1.00 24.83 H new ATOM 0 HG SER B 24 -4.143 -1.100 48.782 1.00 24.20 H new ATOM 1324 N ASN B 25 -3.357 -4.363 45.145 1.00 20.19 N ATOM 1325 CA ASN B 25 -2.752 -5.551 44.466 1.00 26.03 C ATOM 1326 C ASN B 25 -1.726 -5.207 43.338 1.00 23.49 C ATOM 1327 O ASN B 25 -2.112 -4.472 42.372 1.00 26.61 O ATOM 1328 CB ASN B 25 -3.865 -6.505 43.974 1.00 26.68 C ATOM 1329 CG ASN B 25 -3.318 -7.899 43.388 1.00 27.74 C ATOM 1330 OD1 ASN B 25 -2.151 -8.134 43.310 1.00 23.66 O ATOM 1331 ND2 ASN B 25 -4.210 -8.764 42.972 1.00 28.69 N ATOM 0 H ASN B 25 -4.173 -4.205 44.923 1.00 20.19 H new ATOM 0 HA ASN B 25 -2.217 -6.005 45.136 1.00 26.03 H new ATOM 0 HB2 ASN B 25 -4.470 -6.689 44.710 1.00 26.68 H new ATOM 0 HB3 ASN B 25 -4.383 -6.057 43.287 1.00 26.68 H new ATOM 0 HD21 ASN B 25 -3.957 -9.515 42.637 1.00 28.69 H new ATOM 0 HD22 ASN B 25 -5.048 -8.581 43.034 1.00 28.69 H new ATOM 1332 N PRO B 26 -0.388 -5.500 43.518 1.00 24.57 N ATOM 1333 CA PRO B 26 0.595 -5.205 42.477 1.00 21.55 C ATOM 1334 C PRO B 26 0.450 -6.151 41.245 1.00 24.36 C ATOM 1335 O PRO B 26 1.058 -5.888 40.181 1.00 20.60 O ATOM 1336 CB PRO B 26 1.954 -5.419 43.181 1.00 21.42 C ATOM 1337 CG PRO B 26 1.545 -6.548 44.152 1.00 20.10 C ATOM 1338 CD PRO B 26 0.250 -6.205 44.667 1.00 23.96 C ATOM 0 HA PRO B 26 0.487 -4.310 42.120 1.00 21.55 H new ATOM 0 HB2 PRO B 26 2.656 -5.688 42.568 1.00 21.42 H new ATOM 0 HB3 PRO B 26 2.268 -4.624 43.640 1.00 21.42 H new ATOM 0 HG2 PRO B 26 1.517 -7.402 43.694 1.00 20.10 H new ATOM 0 HG3 PRO B 26 2.190 -6.633 44.872 1.00 20.10 H new ATOM 0 HD2 PRO B 26 -0.252 -6.992 44.930 1.00 23.96 H new ATOM 0 HD3 PRO B 26 0.313 -5.634 45.449 1.00 23.96 H new ATOM 1339 N ALA B 27 -0.400 -7.139 41.302 1.00 20.20 N ATOM 1340 CA ALA B 27 -0.440 -8.052 40.127 1.00 25.10 C ATOM 1341 C ALA B 27 -0.901 -7.454 38.764 1.00 21.62 C ATOM 1342 O ALA B 27 -1.765 -6.592 38.716 1.00 21.39 O ATOM 1343 CB ALA B 27 -1.274 -9.240 40.475 1.00 19.63 C ATOM 0 H ALA B 27 -0.938 -7.315 41.949 1.00 20.20 H new ATOM 0 HA ALA B 27 0.489 -8.278 39.961 1.00 25.10 H new ATOM 0 HB1 ALA B 27 -1.309 -9.844 39.717 1.00 19.63 H new ATOM 0 HB2 ALA B 27 -0.884 -9.698 41.236 1.00 19.63 H new ATOM 0 HB3 ALA B 27 -2.172 -8.951 40.699 1.00 19.63 H new ATOM 1344 N GLU B 28 -0.395 -7.924 37.624 1.00 18.95 N ATOM 1345 CA GLU B 28 -0.911 -7.459 36.330 1.00 25.10 C ATOM 1346 C GLU B 28 -2.470 -7.774 36.235 1.00 23.23 C ATOM 1347 O GLU B 28 -2.908 -8.844 36.717 1.00 19.81 O ATOM 1348 CB GLU B 28 -0.278 -8.392 35.227 1.00 20.98 C ATOM 1349 CG GLU B 28 1.029 -7.972 34.703 1.00 30.52 C ATOM 1350 CD GLU B 28 1.037 -6.588 34.062 1.00 25.57 C ATOM 1351 OE1 GLU B 28 0.177 -6.198 33.213 1.00 29.46 O ATOM 1352 OE2 GLU B 28 2.010 -5.950 34.417 1.00 36.09 O ATOM 0 H GLU B 28 0.238 -8.504 37.574 1.00 18.95 H new ATOM 0 HA GLU B 28 -0.718 -6.514 36.226 1.00 25.10 H new ATOM 0 HB2 GLU B 28 -0.187 -9.284 35.596 1.00 20.98 H new ATOM 0 HB3 GLU B 28 -0.900 -8.454 34.485 1.00 20.98 H new ATOM 0 HG2 GLU B 28 1.674 -7.985 35.427 1.00 30.52 H new ATOM 0 HG3 GLU B 28 1.326 -8.622 34.047 1.00 30.52 H new ATOM 1353 N ASN B 29 -3.245 -6.884 35.611 1.00 23.60 N ATOM 1354 CA ASN B 29 -4.658 -7.063 35.308 1.00 19.90 C ATOM 1355 C ASN B 29 -5.572 -6.958 36.530 1.00 26.36 C ATOM 1356 O ASN B 29 -6.747 -7.290 36.483 1.00 22.48 O ATOM 1357 CB ASN B 29 -4.901 -8.295 34.486 1.00 21.05 C ATOM 1358 CG ASN B 29 -4.295 -8.145 33.052 1.00 36.22 C ATOM 1359 OD1 ASN B 29 -3.893 -7.012 32.657 1.00 34.11 O ATOM 1360 ND2 ASN B 29 -4.201 -9.288 32.291 1.00 30.04 N ATOM 0 H ASN B 29 -2.942 -6.125 35.342 1.00 23.60 H new ATOM 0 HA ASN B 29 -4.911 -6.307 34.756 1.00 19.90 H new ATOM 0 HB2 ASN B 29 -4.508 -9.064 34.927 1.00 21.05 H new ATOM 0 HB3 ASN B 29 -5.854 -8.461 34.421 1.00 21.05 H new ATOM 0 HD21 ASN B 29 -3.855 -9.254 31.504 1.00 30.04 H new ATOM 0 HD22 ASN B 29 -4.488 -10.037 32.602 1.00 30.04 H new ATOM 1361 N THR B 30 -5.001 -6.414 37.608 1.00 22.36 N ATOM 1362 CA THR B 30 -5.802 -6.003 38.785 1.00 24.12 C ATOM 1363 C THR B 30 -6.805 -4.863 38.386 1.00 24.21 C ATOM 1364 O THR B 30 -6.382 -3.852 37.775 1.00 19.83 O ATOM 1365 CB THR B 30 -4.852 -5.460 39.947 1.00 21.20 C ATOM 1366 OG1 THR B 30 -4.207 -6.604 40.476 1.00 22.64 O ATOM 1367 CG2 THR B 30 -5.678 -4.869 41.112 1.00 22.15 C ATOM 0 H THR B 30 -4.156 -6.272 37.685 1.00 22.36 H new ATOM 0 HA THR B 30 -6.291 -6.779 39.100 1.00 24.12 H new ATOM 0 HB THR B 30 -4.255 -4.782 39.593 1.00 21.20 H new ATOM 0 HG1 THR B 30 -3.484 -6.732 40.068 1.00 22.64 H new ATOM 0 HG21 THR B 30 -5.079 -4.547 41.803 1.00 22.15 H new ATOM 0 HG22 THR B 30 -6.219 -4.133 40.785 1.00 22.15 H new ATOM 0 HG23 THR B 30 -6.256 -5.556 41.480 1.00 22.15 H new ATOM 1368 N LEU B 31 -8.094 -5.066 38.671 1.00 28.60 N ATOM 1369 CA LEU B 31 -9.081 -3.965 38.295 1.00 25.96 C ATOM 1370 C LEU B 31 -8.922 -2.645 38.957 1.00 27.56 C ATOM 1371 O LEU B 31 -8.587 -2.580 40.145 1.00 25.36 O ATOM 1372 CB LEU B 31 -10.499 -4.416 38.517 1.00 22.85 C ATOM 1373 CG LEU B 31 -10.916 -5.774 37.826 1.00 29.20 C ATOM 1374 CD1 LEU B 31 -12.378 -6.220 38.261 1.00 24.43 C ATOM 1375 CD2 LEU B 31 -10.777 -5.625 36.322 1.00 24.26 C ATOM 0 H LEU B 31 -8.425 -5.764 39.049 1.00 28.60 H new ATOM 0 HA LEU B 31 -8.871 -3.817 37.360 1.00 25.96 H new ATOM 0 HB2 LEU B 31 -10.645 -4.503 39.472 1.00 22.85 H new ATOM 0 HB3 LEU B 31 -11.094 -3.718 38.201 1.00 22.85 H new ATOM 0 HG LEU B 31 -10.324 -6.484 38.119 1.00 29.20 H new ATOM 0 HD11 LEU B 31 -12.606 -7.055 37.822 1.00 24.43 H new ATOM 0 HD12 LEU B 31 -12.406 -6.343 39.223 1.00 24.43 H new ATOM 0 HD13 LEU B 31 -13.015 -5.535 38.004 1.00 24.43 H new ATOM 0 HD21 LEU B 31 -11.031 -6.455 35.890 1.00 24.26 H new ATOM 0 HD22 LEU B 31 -11.355 -4.910 36.013 1.00 24.26 H new ATOM 0 HD23 LEU B 31 -9.856 -5.415 36.101 1.00 24.26 H new ATOM 1376 N ILE B 32 -9.051 -1.539 38.179 1.00 21.15 N ATOM 1377 CA ILE B 32 -9.144 -0.229 38.755 1.00 21.24 C ATOM 1378 C ILE B 32 -10.685 -0.005 38.949 1.00 25.33 C ATOM 1379 O ILE B 32 -11.461 -0.211 38.001 1.00 25.32 O ATOM 1380 CB ILE B 32 -8.454 0.741 37.740 1.00 26.56 C ATOM 1381 CG1 ILE B 32 -6.940 0.354 37.864 1.00 22.75 C ATOM 1382 CG2 ILE B 32 -8.881 2.353 38.077 1.00 23.91 C ATOM 1383 CD1 ILE B 32 -5.978 1.204 36.997 1.00 23.78 C ATOM 0 H ILE B 32 -9.084 -1.555 37.320 1.00 21.15 H new ATOM 0 HA ILE B 32 -8.705 -0.090 39.609 1.00 21.24 H new ATOM 0 HB ILE B 32 -8.728 0.660 36.813 1.00 26.56 H new ATOM 0 HG12 ILE B 32 -6.674 0.434 38.793 1.00 22.75 H new ATOM 0 HG13 ILE B 32 -6.837 -0.579 37.619 1.00 22.75 H new ATOM 0 HG21 ILE B 32 -8.447 2.943 37.441 1.00 23.91 H new ATOM 0 HG22 ILE B 32 -9.843 2.455 38.007 1.00 23.91 H new ATOM 0 HG23 ILE B 32 -8.597 2.582 38.976 1.00 23.91 H new ATOM 0 HD11 ILE B 32 -5.067 0.901 37.132 1.00 23.78 H new ATOM 0 HD12 ILE B 32 -6.215 1.108 36.061 1.00 23.78 H new ATOM 0 HD13 ILE B 32 -6.049 2.137 37.254 1.00 23.78 H new ATOM 1384 N ILE B 33 -11.098 0.579 40.097 1.00 25.86 N ATOM 1385 CA ILE B 33 -12.476 0.706 40.469 1.00 26.05 C ATOM 1386 C ILE B 33 -12.783 2.094 41.093 1.00 22.86 C ATOM 1387 O ILE B 33 -11.890 2.882 41.327 1.00 29.33 O ATOM 1388 CB ILE B 33 -12.769 -0.406 41.630 1.00 22.93 C ATOM 1389 CG1 ILE B 33 -11.773 -0.188 42.806 1.00 18.41 C ATOM 1390 CG2 ILE B 33 -12.642 -1.773 41.067 1.00 27.33 C ATOM 1391 CD1 ILE B 33 -11.938 -1.433 43.877 1.00 26.86 C ATOM 0 H ILE B 33 -10.555 0.911 40.675 1.00 25.86 H new ATOM 0 HA ILE B 33 -13.020 0.590 39.675 1.00 26.05 H new ATOM 0 HB ILE B 33 -13.674 -0.305 41.964 1.00 22.93 H new ATOM 0 HG12 ILE B 33 -10.863 -0.149 42.473 1.00 18.41 H new ATOM 0 HG13 ILE B 33 -11.951 0.659 43.245 1.00 18.41 H new ATOM 0 HG21 ILE B 33 -12.817 -2.427 41.762 1.00 27.33 H new ATOM 0 HG22 ILE B 33 -13.282 -1.887 40.347 1.00 27.33 H new ATOM 0 HG23 ILE B 33 -11.744 -1.900 40.724 1.00 27.33 H new ATOM 0 HD11 ILE B 33 -11.322 -1.309 44.616 1.00 26.86 H new ATOM 0 HD12 ILE B 33 -12.847 -1.451 44.215 1.00 26.86 H new ATOM 0 HD13 ILE B 33 -11.742 -2.272 43.431 1.00 26.86 H new ATOM 1392 N GLY B 34 -14.097 2.379 41.311 1.00 28.79 N ATOM 1393 CA GLY B 34 -14.484 3.552 42.022 1.00 25.68 C ATOM 1394 C GLY B 34 -14.659 2.960 43.436 1.00 26.54 C ATOM 1395 O GLY B 34 -15.369 1.935 43.583 1.00 28.15 O ATOM 0 H GLY B 34 -14.750 1.888 41.044 1.00 28.79 H new ATOM 0 HA2 GLY B 34 -13.806 4.245 41.991 1.00 25.68 H new ATOM 0 HA3 GLY B 34 -15.303 3.941 41.678 1.00 25.68 H new ATOM 1396 N HIS B 35 -14.170 3.690 44.425 1.00 30.42 N ATOM 1397 CA HIS B 35 -14.231 3.204 45.821 1.00 32.38 C ATOM 1398 C HIS B 35 -14.093 4.382 46.788 1.00 30.98 C ATOM 1399 O HIS B 35 -13.403 5.413 46.482 1.00 33.17 O ATOM 1400 CB HIS B 35 -13.036 2.195 46.067 1.00 29.18 C ATOM 1401 CG HIS B 35 -13.152 1.414 47.339 1.00 31.61 C ATOM 1402 ND1 HIS B 35 -13.699 0.203 47.594 1.00 35.30 N flip ATOM 1403 CD2 HIS B 35 -12.749 1.911 48.560 1.00 33.46 C flip ATOM 1404 CE1 HIS B 35 -13.618 0.005 48.953 1.00 35.12 C flip ATOM 1405 NE2 HIS B 35 -13.051 1.046 49.512 1.00 33.70 N flip ATOM 0 H HIS B 35 -13.801 4.460 44.325 1.00 30.42 H new ATOM 0 HA HIS B 35 -15.081 2.762 45.971 1.00 32.38 H new ATOM 0 HB2 HIS B 35 -12.988 1.576 45.321 1.00 29.18 H new ATOM 0 HB3 HIS B 35 -12.203 2.691 46.078 1.00 29.18 H new ATOM 0 HD1 HIS B 35 -14.034 -0.340 47.017 1.00 35.30 H new ATOM 0 HD2 HIS B 35 -12.329 2.730 48.693 1.00 33.46 H new ATOM 0 HE1 HIS B 35 -13.919 -0.750 49.405 1.00 35.12 H new ATOM 1406 N HIS B 36 -14.858 4.376 47.919 1.00 32.91 N ATOM 1407 CA HIS B 36 -14.668 5.498 48.854 1.00 31.68 C ATOM 1408 C HIS B 36 -13.205 5.688 49.273 1.00 31.85 C ATOM 1409 O HIS B 36 -12.509 4.726 49.301 1.00 28.70 O ATOM 1410 CB HIS B 36 -15.512 5.224 50.133 1.00 41.58 C ATOM 1411 CG HIS B 36 -15.090 3.995 50.893 1.00 42.68 C ATOM 1412 ND1 HIS B 36 -14.082 4.018 51.839 1.00 45.82 N ATOM 1413 CD2 HIS B 36 -15.572 2.724 50.890 1.00 47.42 C ATOM 1414 CE1 HIS B 36 -13.968 2.815 52.387 1.00 45.71 C ATOM 1415 NE2 HIS B 36 -14.859 2.007 51.829 1.00 45.40 N ATOM 0 H HIS B 36 -15.440 3.782 48.140 1.00 32.91 H new ATOM 0 HA HIS B 36 -14.949 6.306 48.397 1.00 31.68 H new ATOM 0 HB2 HIS B 36 -15.451 5.993 50.721 1.00 41.58 H new ATOM 0 HB3 HIS B 36 -16.444 5.133 49.881 1.00 41.58 H new ATOM 0 HD1 HIS B 36 -13.604 4.704 52.041 1.00 45.82 H new ATOM 0 HD2 HIS B 36 -16.257 2.397 50.353 1.00 47.42 H new ATOM 0 HE1 HIS B 36 -13.363 2.578 53.052 1.00 45.71 H new ATOM 1416 N LEU B 37 -12.824 6.890 49.757 1.00 28.06 N ATOM 1417 CA LEU B 37 -11.557 7.279 50.248 1.00 32.92 C ATOM 1418 C LEU B 37 -11.266 6.281 51.316 1.00 35.23 C ATOM 1419 O LEU B 37 -12.091 6.000 52.197 1.00 34.05 O ATOM 1420 CB LEU B 37 -11.595 8.692 50.858 1.00 36.35 C ATOM 1421 CG LEU B 37 -10.286 9.337 51.328 1.00 36.24 C ATOM 1422 CD1 LEU B 37 -9.330 9.460 50.154 1.00 40.81 C ATOM 1423 CD2 LEU B 37 -10.580 10.766 51.984 1.00 34.79 C ATOM 0 H LEU B 37 -13.384 7.541 49.795 1.00 28.06 H new ATOM 0 HA LEU B 37 -10.890 7.304 49.544 1.00 32.92 H new ATOM 0 HB2 LEU B 37 -11.993 9.284 50.200 1.00 36.35 H new ATOM 0 HB3 LEU B 37 -12.198 8.666 51.618 1.00 36.35 H new ATOM 0 HG LEU B 37 -9.873 8.778 52.004 1.00 36.24 H new ATOM 0 HD11 LEU B 37 -8.502 9.868 50.452 1.00 40.81 H new ATOM 0 HD12 LEU B 37 -9.144 8.579 49.794 1.00 40.81 H new ATOM 0 HD13 LEU B 37 -9.732 10.012 49.465 1.00 40.81 H new ATOM 0 HD21 LEU B 37 -9.746 11.165 52.278 1.00 34.79 H new ATOM 0 HD22 LEU B 37 -11.001 11.343 51.328 1.00 34.79 H new ATOM 0 HD23 LEU B 37 -11.172 10.657 52.745 1.00 34.79 H new ATOM 1424 N ASN B 38 -10.102 5.671 51.183 1.00 35.19 N ATOM 1425 CA ASN B 38 -9.767 4.637 52.121 1.00 37.30 C ATOM 1426 C ASN B 38 -8.882 5.034 53.297 1.00 37.61 C ATOM 1427 O ASN B 38 -8.499 4.167 54.097 1.00 34.85 O ATOM 1428 CB ASN B 38 -9.267 3.408 51.350 1.00 26.89 C ATOM 1429 CG ASN B 38 -7.899 3.621 50.737 1.00 29.86 C ATOM 1430 OD1 ASN B 38 -7.206 4.498 51.078 1.00 27.74 O ATOM 1431 ND2 ASN B 38 -7.490 2.726 49.905 1.00 26.27 N ATOM 0 H ASN B 38 -9.514 5.837 50.577 1.00 35.19 H new ATOM 0 HA ASN B 38 -10.588 4.418 52.590 1.00 37.30 H new ATOM 0 HB2 ASN B 38 -9.234 2.646 51.949 1.00 26.89 H new ATOM 0 HB3 ASN B 38 -9.901 3.190 50.649 1.00 26.89 H new ATOM 0 HD21 ASN B 38 -6.691 2.766 49.588 1.00 26.27 H new ATOM 0 HD22 ASN B 38 -8.016 2.088 49.667 1.00 26.27 H new ATOM 1432 N LYS B 39 -8.502 6.311 53.378 1.00 37.12 N ATOM 1433 CA ALYS B 39 -7.669 6.796 54.492 0.66 41.45 C ATOM 1434 CA BLYS B 39 -7.693 6.800 54.495 0.34 45.45 C ATOM 1435 C LYS B 39 -7.722 8.307 54.479 1.00 44.68 C ATOM 1436 O LYS B 39 -7.867 8.892 53.425 1.00 39.08 O ATOM 1437 CB ALYS B 39 -6.203 6.355 54.313 0.66 42.75 C ATOM 1438 CB BLYS B 39 -6.244 6.312 54.339 0.34 46.03 C ATOM 1439 CG ALYS B 39 -5.265 6.799 55.428 0.66 44.01 C ATOM 1440 CG BLYS B 39 -5.316 6.728 55.473 0.34 46.24 C ATOM 1441 CD ALYS B 39 -3.827 6.401 55.170 0.66 45.33 C ATOM 1442 CD BLYS B 39 -3.869 6.376 55.186 0.34 47.00 C ATOM 1443 CE ALYS B 39 -2.843 7.302 55.927 0.66 49.68 C ATOM 1444 CE BLYS B 39 -3.098 6.115 56.476 0.34 48.07 C ATOM 1445 NZ ALYS B 39 -2.997 7.222 57.404 0.66 44.49 N ATOM 1446 NZ BLYS B 39 -1.622 6.208 56.280 0.34 47.43 N ATOM 0 H ALYS B 39 -8.713 6.914 52.802 0.66 37.12 H new ATOM 0 H BLYS B 39 -8.703 6.910 52.795 0.34 37.12 H new ATOM 0 HA ALYS B 39 -8.001 6.432 55.327 0.66 45.45 H new ATOM 0 HA BLYS B 39 -8.048 6.467 55.334 0.34 45.45 H new ATOM 0 HB2ALYS B 39 -6.174 5.388 54.249 0.66 46.03 H new ATOM 0 HB2BLYS B 39 -6.245 5.344 54.275 0.34 46.03 H new ATOM 0 HB3ALYS B 39 -5.873 6.705 53.471 0.66 46.03 H new ATOM 0 HB3BLYS B 39 -5.888 6.651 53.503 0.34 46.03 H new ATOM 0 HG2ALYS B 39 -5.318 7.763 55.526 0.66 46.24 H new ATOM 0 HG2BLYS B 39 -5.392 7.684 55.617 0.34 46.24 H new ATOM 0 HG3ALYS B 39 -5.559 6.412 56.267 0.66 46.24 H new ATOM 0 HG3BLYS B 39 -5.596 6.294 56.294 0.34 46.24 H new ATOM 0 HD2ALYS B 39 -3.693 5.479 55.438 0.66 47.00 H new ATOM 0 HD2BLYS B 39 -3.831 5.590 54.619 0.34 47.00 H new ATOM 0 HD3ALYS B 39 -3.644 6.449 54.219 0.66 47.00 H new ATOM 0 HD3BLYS B 39 -3.449 7.100 54.696 0.34 47.00 H new ATOM 0 HE2ALYS B 39 -1.936 7.054 55.688 0.66 48.07 H new ATOM 0 HE2BLYS B 39 -3.374 6.755 57.151 0.34 48.07 H new ATOM 0 HE3ALYS B 39 -2.970 8.221 55.643 0.66 48.07 H new ATOM 0 HE3BLYS B 39 -3.323 5.233 56.812 0.34 48.07 H new ATOM 0 HZ1ALYS B 39 -2.406 7.761 57.794 0.66 47.43 H new ATOM 0 HZ1BLYS B 39 -1.209 6.050 57.052 0.34 47.43 H new ATOM 0 HZ2ALYS B 39 -3.820 7.472 57.631 0.66 47.43 H new ATOM 0 HZ2BLYS B 39 -1.364 5.606 55.678 0.34 47.43 H new ATOM 0 HZ3ALYS B 39 -2.857 6.385 57.672 0.66 47.43 H new ATOM 0 HZ3BLYS B 39 -1.411 7.024 55.993 0.34 47.43 H new ATOM 1447 N THR B 40 -7.660 8.948 55.644 1.00 44.91 N ATOM 1448 CA THR B 40 -7.642 10.426 55.661 1.00 43.51 C ATOM 1449 C THR B 40 -6.166 10.915 55.810 1.00 43.17 C ATOM 1450 O THR B 40 -5.418 10.340 56.579 1.00 38.44 O ATOM 1451 CB THR B 40 -8.551 10.992 56.775 1.00 47.20 C ATOM 1452 OG1 THR B 40 -8.205 10.395 58.010 1.00 47.60 O ATOM 1453 CG2 THR B 40 -10.007 10.676 56.492 1.00 49.80 C ATOM 0 H THR B 40 -7.628 8.569 56.415 1.00 44.91 H new ATOM 0 HA THR B 40 -8.000 10.759 54.824 1.00 43.51 H new ATOM 0 HB THR B 40 -8.428 11.954 56.808 1.00 47.20 H new ATOM 0 HG1 THR B 40 -8.697 10.702 58.618 1.00 47.60 H new ATOM 0 HG21 THR B 40 -10.561 11.039 57.201 1.00 49.80 H new ATOM 0 HG22 THR B 40 -10.266 11.072 55.645 1.00 49.80 H new ATOM 0 HG23 THR B 40 -10.127 9.714 56.448 1.00 49.80 H new ATOM 1454 N PRO B 41 -5.753 11.999 55.099 1.00 44.30 N ATOM 1455 CA PRO B 41 -6.805 12.590 54.273 1.00 43.49 C ATOM 1456 C PRO B 41 -6.692 12.292 52.783 1.00 44.95 C ATOM 1457 O PRO B 41 -7.597 12.775 52.012 1.00 42.84 O ATOM 1458 CB PRO B 41 -6.569 14.076 54.491 1.00 47.54 C ATOM 1459 CG PRO B 41 -5.112 14.128 54.396 1.00 42.61 C ATOM 1460 CD PRO B 41 -4.634 12.938 55.231 1.00 42.29 C ATOM 0 HA PRO B 41 -7.676 12.243 54.521 1.00 43.49 H new ATOM 0 HB2 PRO B 41 -7.003 14.622 53.817 1.00 47.54 H new ATOM 0 HB3 PRO B 41 -6.894 14.379 55.353 1.00 47.54 H new ATOM 0 HG2 PRO B 41 -4.815 14.056 53.475 1.00 42.61 H new ATOM 0 HG3 PRO B 41 -4.765 14.965 54.742 1.00 42.61 H new ATOM 0 HD2 PRO B 41 -3.806 12.565 54.890 1.00 42.29 H new ATOM 0 HD3 PRO B 41 -4.475 13.185 56.156 1.00 42.29 H new ATOM 1461 N SER B 42 -5.629 11.540 52.376 1.00 39.63 N ATOM 1462 CA SER B 42 -5.494 11.312 50.949 1.00 41.58 C ATOM 1463 C SER B 42 -5.452 9.846 50.511 1.00 39.14 C ATOM 1464 O SER B 42 -4.953 9.559 49.436 1.00 37.87 O ATOM 1465 CB SER B 42 -4.285 12.080 50.420 1.00 39.48 C ATOM 1466 OG SER B 42 -4.336 13.452 50.804 1.00 42.92 O ATOM 0 H SER B 42 -5.030 11.187 52.882 1.00 39.63 H new ATOM 0 HA SER B 42 -6.313 11.648 50.553 1.00 41.58 H new ATOM 0 HB2 SER B 42 -3.470 11.677 50.758 1.00 39.48 H new ATOM 0 HB3 SER B 42 -4.254 12.013 49.453 1.00 39.48 H new ATOM 0 HG SER B 42 -3.567 13.786 50.753 1.00 42.92 H new ATOM 1467 N GLY B 43 -6.062 8.964 51.305 1.00 32.49 N ATOM 1468 CA GLY B 43 -6.084 7.580 50.970 1.00 35.24 C ATOM 1469 C GLY B 43 -4.720 6.976 51.106 1.00 31.50 C ATOM 1470 O GLY B 43 -3.709 7.581 51.411 1.00 25.74 O ATOM 0 H GLY B 43 -6.464 9.165 52.038 1.00 32.49 H new ATOM 0 HA2 GLY B 43 -6.708 7.113 51.548 1.00 35.24 H new ATOM 0 HA3 GLY B 43 -6.402 7.468 50.060 1.00 35.24 H new ATOM 1471 N TYR B 44 -4.747 5.693 51.003 1.00 33.97 N ATOM 1472 CA TYR B 44 -3.462 4.933 50.920 1.00 31.98 C ATOM 1473 C TYR B 44 -2.870 5.138 49.482 1.00 34.62 C ATOM 1474 O TYR B 44 -3.509 5.773 48.624 1.00 31.13 O ATOM 1475 CB TYR B 44 -3.736 3.459 51.140 1.00 37.56 C ATOM 1476 CG TYR B 44 -3.814 3.164 52.607 1.00 40.81 C ATOM 1477 CD1 TYR B 44 -2.666 3.212 53.393 1.00 41.87 C ATOM 1478 CD2 TYR B 44 -5.030 2.936 53.220 1.00 40.88 C ATOM 1479 CE1 TYR B 44 -2.755 3.040 54.819 1.00 43.50 C ATOM 1480 CE2 TYR B 44 -5.116 2.763 54.591 1.00 45.52 C ATOM 1481 CZ TYR B 44 -3.981 2.814 55.375 1.00 40.06 C ATOM 1482 OH TYR B 44 -4.142 2.573 56.729 1.00 41.53 O ATOM 0 H TYR B 44 -5.461 5.215 50.976 1.00 33.97 H new ATOM 0 HA TYR B 44 -2.839 5.247 51.594 1.00 31.98 H new ATOM 0 HB2 TYR B 44 -4.568 3.209 50.708 1.00 37.56 H new ATOM 0 HB3 TYR B 44 -3.034 2.928 50.733 1.00 37.56 H new ATOM 0 HD1 TYR B 44 -1.838 3.356 52.995 1.00 41.87 H new ATOM 0 HD2 TYR B 44 -5.803 2.898 52.704 1.00 40.88 H new ATOM 0 HE1 TYR B 44 -1.993 3.082 55.351 1.00 43.50 H new ATOM 0 HE2 TYR B 44 -5.944 2.611 54.986 1.00 45.52 H new ATOM 0 HH TYR B 44 -4.957 2.457 56.898 1.00 41.53 H new ATOM 1483 N GLY B 45 -1.766 4.459 49.202 1.00 29.83 N ATOM 1484 CA GLY B 45 -1.064 4.665 47.885 1.00 27.51 C ATOM 1485 C GLY B 45 -1.804 4.142 46.650 1.00 25.05 C ATOM 1486 O GLY B 45 -1.463 4.538 45.529 1.00 26.11 O ATOM 0 H GLY B 45 -1.397 3.886 49.727 1.00 29.83 H new ATOM 0 HA2 GLY B 45 -0.903 5.614 47.768 1.00 27.51 H new ATOM 0 HA3 GLY B 45 -0.196 4.234 47.929 1.00 27.51 H new ATOM 1487 N ASN B 46 -2.787 3.276 46.824 1.00 24.63 N ATOM 1488 CA ASN B 46 -3.547 2.726 45.732 1.00 24.31 C ATOM 1489 C ASN B 46 -4.642 3.708 45.307 1.00 29.83 C ATOM 1490 O ASN B 46 -5.428 3.371 44.484 1.00 24.03 O ATOM 1491 CB ASN B 46 -4.165 1.388 46.075 1.00 20.76 C ATOM 1492 CG ASN B 46 -5.214 1.462 47.196 1.00 22.20 C ATOM 1493 OD1 ASN B 46 -5.086 2.151 48.204 1.00 25.77 O ATOM 1494 ND2 ASN B 46 -6.210 0.719 47.001 1.00 20.43 N ATOM 0 H ASN B 46 -3.032 2.989 47.597 1.00 24.63 H new ATOM 0 HA ASN B 46 -2.929 2.582 44.998 1.00 24.31 H new ATOM 0 HB2 ASN B 46 -4.579 1.018 45.279 1.00 20.76 H new ATOM 0 HB3 ASN B 46 -3.462 0.774 46.340 1.00 20.76 H new ATOM 0 HD21 ASN B 46 -6.838 0.679 47.587 1.00 20.43 H new ATOM 0 HD22 ASN B 46 -6.263 0.251 46.281 1.00 20.43 H new ATOM 1495 N GLN B 47 -4.699 4.897 45.925 1.00 23.18 N ATOM 1496 CA GLN B 47 -5.753 5.861 45.526 1.00 25.51 C ATOM 1497 C GLN B 47 -5.057 7.140 45.212 1.00 24.88 C ATOM 1498 O GLN B 47 -5.748 8.131 45.102 1.00 29.88 O ATOM 1499 CB GLN B 47 -6.792 6.181 46.668 1.00 25.42 C ATOM 1500 CG GLN B 47 -7.587 4.982 47.029 1.00 27.52 C ATOM 1501 CD GLN B 47 -8.749 5.295 47.994 1.00 29.42 C ATOM 1502 OE1 GLN B 47 -8.632 6.252 48.814 1.00 30.49 O ATOM 1503 NE2 GLN B 47 -9.787 4.496 47.952 1.00 27.79 N ATOM 0 H GLN B 47 -4.168 5.161 46.548 1.00 23.18 H new ATOM 0 HA GLN B 47 -6.244 5.472 44.786 1.00 25.51 H new ATOM 0 HB2 GLN B 47 -6.323 6.508 47.452 1.00 25.42 H new ATOM 0 HB3 GLN B 47 -7.387 6.890 46.377 1.00 25.42 H new ATOM 0 HG2 GLN B 47 -7.944 4.582 46.221 1.00 27.52 H new ATOM 0 HG3 GLN B 47 -7.003 4.324 47.437 1.00 27.52 H new ATOM 0 HE21 GLN B 47 -9.817 3.860 47.374 1.00 27.79 H new ATOM 0 HE22 GLN B 47 -10.438 4.608 48.502 1.00 27.79 H new ATOM 1504 N GLN B 48 -3.723 7.129 45.041 1.00 23.56 N ATOM 1505 CA GLN B 48 -2.954 8.301 44.755 1.00 25.50 C ATOM 1506 C GLN B 48 -2.278 7.974 43.395 1.00 30.24 C ATOM 1507 O GLN B 48 -1.645 6.953 43.337 1.00 28.39 O ATOM 1508 CB GLN B 48 -1.919 8.526 45.806 1.00 30.01 C ATOM 1509 CG GLN B 48 -2.517 8.677 47.245 1.00 31.26 C ATOM 1510 CD GLN B 48 -1.439 9.009 48.264 1.00 33.92 C ATOM 1511 OE1 GLN B 48 -0.291 8.908 47.951 1.00 33.24 O ATOM 1512 NE2 GLN B 48 -1.814 9.432 49.512 1.00 31.39 N ATOM 0 H GLN B 48 -3.250 6.413 45.094 1.00 23.56 H new ATOM 0 HA GLN B 48 -3.495 9.106 44.729 1.00 25.50 H new ATOM 0 HB2 GLN B 48 -1.294 7.784 45.799 1.00 30.01 H new ATOM 0 HB3 GLN B 48 -1.414 9.325 45.587 1.00 30.01 H new ATOM 0 HG2 GLN B 48 -3.190 9.375 47.245 1.00 31.26 H new ATOM 0 HG3 GLN B 48 -2.962 7.854 47.500 1.00 31.26 H new ATOM 0 HE21 GLN B 48 -2.648 9.496 49.712 1.00 31.39 H new ATOM 0 HE22 GLN B 48 -1.215 9.634 50.096 1.00 31.39 H new ATOM 1513 N TRP B 49 -2.419 8.882 42.373 1.00 28.08 N ATOM 1514 CA TRP B 49 -1.915 8.688 41.032 1.00 29.83 C ATOM 1515 C TRP B 49 -1.004 9.810 40.601 1.00 28.80 C ATOM 1516 O TRP B 49 -1.346 11.019 40.705 1.00 28.78 O ATOM 1517 CB TRP B 49 -3.106 8.604 40.074 1.00 27.47 C ATOM 1518 CG TRP B 49 -4.042 7.544 40.546 1.00 19.91 C ATOM 1519 CD1 TRP B 49 -5.119 7.683 41.397 1.00 29.63 C ATOM 1520 CD2 TRP B 49 -3.948 6.191 40.193 1.00 25.57 C ATOM 1521 NE1 TRP B 49 -5.692 6.488 41.609 1.00 22.39 N ATOM 1522 CE2 TRP B 49 -4.988 5.528 40.870 1.00 24.99 C ATOM 1523 CE3 TRP B 49 -3.057 5.482 39.326 1.00 22.86 C ATOM 1524 CZ2 TRP B 49 -5.217 4.139 40.743 1.00 26.10 C ATOM 1525 CZ3 TRP B 49 -3.274 4.078 39.149 1.00 24.31 C ATOM 1526 CH2 TRP B 49 -4.322 3.412 39.834 1.00 23.88 C ATOM 0 H TRP B 49 -2.824 9.634 42.475 1.00 28.08 H new ATOM 0 HA TRP B 49 -1.395 7.869 41.016 1.00 29.83 H new ATOM 0 HB2 TRP B 49 -3.563 9.459 40.033 1.00 27.47 H new ATOM 0 HB3 TRP B 49 -2.799 8.403 39.176 1.00 27.47 H new ATOM 0 HD1 TRP B 49 -5.406 8.486 41.769 1.00 29.63 H new ATOM 0 HE1 TRP B 49 -6.373 6.338 42.112 1.00 22.39 H new ATOM 0 HE3 TRP B 49 -2.360 5.919 38.892 1.00 22.86 H new ATOM 0 HZ2 TRP B 49 -5.897 3.709 41.210 1.00 26.10 H new ATOM 0 HZ3 TRP B 49 -2.721 3.596 38.577 1.00 24.31 H new ATOM 0 HH2 TRP B 49 -4.444 2.499 39.705 1.00 23.88 H new ATOM 1527 N THR B 50 0.177 9.372 40.191 1.00 25.08 N ATOM 1528 CA THR B 50 1.213 10.231 39.770 1.00 26.49 C ATOM 1529 C THR B 50 1.067 10.390 38.247 1.00 30.31 C ATOM 1530 O THR B 50 1.067 9.418 37.491 1.00 23.73 O ATOM 1531 CB THR B 50 2.556 9.709 40.180 1.00 28.31 C ATOM 1532 OG1 THR B 50 2.620 9.717 41.605 1.00 32.14 O ATOM 1533 CG2 THR B 50 3.768 10.656 39.695 1.00 23.16 C ATOM 0 H THR B 50 0.384 8.538 40.157 1.00 25.08 H new ATOM 0 HA THR B 50 1.145 11.100 40.195 1.00 26.49 H new ATOM 0 HB THR B 50 2.650 8.829 39.783 1.00 28.31 H new ATOM 0 HG1 THR B 50 2.541 10.505 41.885 1.00 32.14 H new ATOM 0 HG21 THR B 50 4.612 10.275 39.984 1.00 23.16 H new ATOM 0 HG22 THR B 50 3.759 10.723 38.727 1.00 23.16 H new ATOM 0 HG23 THR B 50 3.663 11.540 40.081 1.00 23.16 H new ATOM 1534 N LEU B 51 1.146 11.632 37.828 1.00 23.70 N ATOM 1535 CA LEU B 51 0.923 11.952 36.405 1.00 31.06 C ATOM 1536 C LEU B 51 2.231 12.364 35.870 1.00 27.35 C ATOM 1537 O LEU B 51 2.880 13.284 36.405 1.00 31.03 O ATOM 1538 CB LEU B 51 -0.114 13.125 36.178 1.00 24.62 C ATOM 1539 CG LEU B 51 -1.497 12.957 36.833 1.00 29.99 C ATOM 1540 CD1 LEU B 51 -2.459 14.149 36.447 1.00 33.70 C ATOM 1541 CD2 LEU B 51 -2.106 11.594 36.613 1.00 27.84 C ATOM 0 H LEU B 51 1.324 12.307 38.330 1.00 23.70 H new ATOM 0 HA LEU B 51 0.551 11.173 35.962 1.00 31.06 H new ATOM 0 HB2 LEU B 51 0.281 13.947 36.509 1.00 24.62 H new ATOM 0 HB3 LEU B 51 -0.242 13.236 35.223 1.00 24.62 H new ATOM 0 HG LEU B 51 -1.363 13.004 37.793 1.00 29.99 H new ATOM 0 HD11 LEU B 51 -3.322 14.019 36.871 1.00 33.70 H new ATOM 0 HD12 LEU B 51 -2.074 14.987 36.748 1.00 33.70 H new ATOM 0 HD13 LEU B 51 -2.573 14.174 35.484 1.00 33.70 H new ATOM 0 HD21 LEU B 51 -2.972 11.552 37.048 1.00 27.84 H new ATOM 0 HD22 LEU B 51 -2.215 11.438 35.662 1.00 27.84 H new ATOM 0 HD23 LEU B 51 -1.523 10.915 36.987 1.00 27.84 H new ATOM 1542 N VAL B 52 2.540 11.803 34.673 1.00 22.34 N ATOM 1543 CA VAL B 52 3.808 12.190 34.020 1.00 27.54 C ATOM 1544 C VAL B 52 3.324 12.739 32.679 1.00 25.59 C ATOM 1545 O VAL B 52 2.551 12.048 31.989 1.00 24.58 O ATOM 1546 CB VAL B 52 4.893 11.042 33.833 1.00 31.86 C ATOM 1547 CG1 VAL B 52 6.070 11.493 32.847 1.00 21.16 C ATOM 1548 CG2 VAL B 52 5.518 10.765 35.173 1.00 24.37 C ATOM 0 H VAL B 52 2.058 11.231 34.249 1.00 22.34 H new ATOM 0 HA VAL B 52 4.301 12.815 34.574 1.00 27.54 H new ATOM 0 HB VAL B 52 4.448 10.264 33.461 1.00 31.86 H new ATOM 0 HG11 VAL B 52 6.711 10.771 32.757 1.00 21.16 H new ATOM 0 HG12 VAL B 52 5.699 11.706 31.976 1.00 21.16 H new ATOM 0 HG13 VAL B 52 6.514 12.276 33.209 1.00 21.16 H new ATOM 0 HG21 VAL B 52 6.184 10.066 35.081 1.00 24.37 H new ATOM 0 HG22 VAL B 52 5.940 11.572 35.506 1.00 24.37 H new ATOM 0 HG23 VAL B 52 4.833 10.478 35.797 1.00 24.37 H new ATOM 1549 N GLN B 53 3.899 13.884 32.299 1.00 25.61 N ATOM 1550 CA GLN B 53 3.381 14.566 31.065 1.00 26.04 C ATOM 1551 C GLN B 53 4.391 14.726 29.933 1.00 23.22 C ATOM 1552 O GLN B 53 5.583 14.880 30.220 1.00 22.45 O ATOM 1553 CB GLN B 53 2.907 15.987 31.460 1.00 25.03 C ATOM 1554 CG GLN B 53 2.144 16.766 30.301 1.00 25.55 C ATOM 1555 CD GLN B 53 1.950 18.248 30.616 1.00 35.24 C ATOM 1556 OE1 GLN B 53 2.323 18.780 31.687 1.00 33.95 O ATOM 1557 NE2 GLN B 53 1.293 18.917 29.704 1.00 32.73 N ATOM 0 H GLN B 53 4.550 14.276 32.701 1.00 25.61 H new ATOM 0 HA GLN B 53 2.674 13.993 30.728 1.00 26.04 H new ATOM 0 HB2 GLN B 53 2.321 15.919 32.230 1.00 25.03 H new ATOM 0 HB3 GLN B 53 3.677 16.509 31.734 1.00 25.03 H new ATOM 0 HG2 GLN B 53 2.643 16.678 29.474 1.00 25.55 H new ATOM 0 HG3 GLN B 53 1.278 16.354 30.155 1.00 25.55 H new ATOM 0 HE21 GLN B 53 1.049 18.527 28.977 1.00 32.73 H new ATOM 0 HE22 GLN B 53 1.105 19.747 29.831 1.00 32.73 H new ATOM 1558 N LEU B 54 3.917 14.547 28.645 1.00 26.82 N ATOM 1559 CA LEU B 54 4.825 14.816 27.482 1.00 20.82 C ATOM 1560 C LEU B 54 4.576 16.282 27.225 1.00 22.55 C ATOM 1561 O LEU B 54 3.448 16.662 26.927 1.00 20.85 O ATOM 1562 CB LEU B 54 4.305 13.833 26.338 1.00 21.16 C ATOM 1563 CG LEU B 54 5.063 14.234 25.031 1.00 22.13 C ATOM 1564 CD1 LEU B 54 6.601 13.971 25.223 1.00 22.00 C ATOM 1565 CD2 LEU B 54 4.405 13.211 23.986 1.00 19.67 C ATOM 0 H LEU B 54 3.123 14.287 28.442 1.00 26.82 H new ATOM 0 HA LEU B 54 5.778 14.663 27.579 1.00 20.82 H new ATOM 0 HB2 LEU B 54 4.483 12.908 26.570 1.00 21.16 H new ATOM 0 HB3 LEU B 54 3.346 13.917 26.220 1.00 21.16 H new ATOM 0 HG LEU B 54 4.990 15.163 24.763 1.00 22.13 H new ATOM 0 HD11 LEU B 54 7.075 14.219 24.414 1.00 22.00 H new ATOM 0 HD12 LEU B 54 6.930 14.502 25.965 1.00 22.00 H new ATOM 0 HD13 LEU B 54 6.748 13.030 25.408 1.00 22.00 H new ATOM 0 HD21 LEU B 54 4.793 13.351 23.108 1.00 19.67 H new ATOM 0 HD22 LEU B 54 4.576 12.300 24.273 1.00 19.67 H new ATOM 0 HD23 LEU B 54 3.448 13.362 23.944 1.00 19.67 H new ATOM 1566 N PRO B 55 5.606 17.172 27.395 1.00 30.34 N ATOM 1567 CA PRO B 55 5.547 18.597 27.245 1.00 27.26 C ATOM 1568 C PRO B 55 5.006 18.994 25.989 1.00 29.62 C ATOM 1569 O PRO B 55 5.179 18.307 24.956 1.00 26.15 O ATOM 1570 CB PRO B 55 6.982 19.063 27.461 1.00 26.11 C ATOM 1571 CG PRO B 55 7.564 17.957 28.438 1.00 29.03 C ATOM 1572 CD PRO B 55 6.980 16.753 27.746 1.00 24.14 C ATOM 0 HA PRO B 55 4.942 19.007 27.883 1.00 27.26 H new ATOM 0 HB2 PRO B 55 7.477 19.104 26.628 1.00 26.11 H new ATOM 0 HB3 PRO B 55 7.018 19.948 27.856 1.00 26.11 H new ATOM 0 HG2 PRO B 55 8.534 17.946 28.466 1.00 29.03 H new ATOM 0 HG3 PRO B 55 7.255 18.057 29.352 1.00 29.03 H new ATOM 0 HD2 PRO B 55 7.491 16.515 26.957 1.00 24.14 H new ATOM 0 HD3 PRO B 55 6.977 15.976 28.327 1.00 24.14 H new ATOM 1573 N HIS B 56 4.204 20.014 26.159 1.00 25.53 N ATOM 1574 CA HIS B 56 3.412 20.618 24.998 1.00 31.74 C ATOM 1575 C HIS B 56 2.282 19.810 24.329 1.00 28.31 C ATOM 1576 O HIS B 56 1.860 20.094 23.136 1.00 23.39 O ATOM 1577 CB HIS B 56 4.370 21.034 23.910 1.00 33.60 C ATOM 1578 CG HIS B 56 5.479 21.882 24.418 1.00 37.85 C ATOM 1579 ND1 HIS B 56 6.663 21.351 24.875 1.00 42.82 N ATOM 1580 CD2 HIS B 56 5.551 23.207 24.663 1.00 40.67 C ATOM 1581 CE1 HIS B 56 7.412 22.298 25.396 1.00 38.72 C ATOM 1582 NE2 HIS B 56 6.761 23.431 25.272 1.00 41.93 N ATOM 0 H HIS B 56 4.074 20.401 26.916 1.00 25.53 H new ATOM 0 HA HIS B 56 2.941 21.340 25.443 1.00 31.74 H new ATOM 0 HB2 HIS B 56 4.740 20.242 23.489 1.00 33.60 H new ATOM 0 HB3 HIS B 56 3.885 21.519 23.224 1.00 33.60 H new ATOM 0 HD2 HIS B 56 4.906 23.845 24.459 1.00 40.67 H new ATOM 0 HE1 HIS B 56 8.251 22.185 25.782 1.00 38.72 H new ATOM 0 HE2 HIS B 56 7.049 24.198 25.533 1.00 41.93 H new ATOM 1583 N THR B 57 1.886 18.781 25.037 1.00 25.43 N ATOM 1584 CA THR B 57 0.747 17.942 24.696 1.00 25.13 C ATOM 1585 C THR B 57 -0.068 17.745 25.993 1.00 26.43 C ATOM 1586 O THR B 57 0.289 18.187 27.070 1.00 27.61 O ATOM 1587 CB THR B 57 1.249 16.511 24.264 1.00 24.37 C ATOM 1588 OG1 THR B 57 1.535 15.711 25.456 1.00 23.37 O ATOM 1589 CG2 THR B 57 2.614 16.651 23.439 1.00 20.11 C ATOM 0 H THR B 57 2.283 18.535 25.759 1.00 25.43 H new ATOM 0 HA THR B 57 0.235 18.352 23.981 1.00 25.13 H new ATOM 0 HB THR B 57 0.562 16.089 23.725 1.00 24.37 H new ATOM 0 HG1 THR B 57 2.204 16.028 25.852 1.00 23.37 H new ATOM 0 HG21 THR B 57 2.923 15.771 23.173 1.00 20.11 H new ATOM 0 HG22 THR B 57 2.461 17.192 22.649 1.00 20.11 H new ATOM 0 HG23 THR B 57 3.286 17.075 23.995 1.00 20.11 H new ATOM 1590 N THR B 58 -1.190 17.093 25.823 1.00 20.66 N ATOM 1591 CA THR B 58 -2.009 16.675 26.937 1.00 32.97 C ATOM 1592 C THR B 58 -1.898 15.156 27.153 1.00 28.30 C ATOM 1593 O THR B 58 -2.876 14.586 27.597 1.00 24.33 O ATOM 1594 CB THR B 58 -3.496 17.139 26.795 1.00 27.73 C ATOM 1595 OG1 THR B 58 -4.113 16.514 25.656 1.00 25.88 O ATOM 1596 CG2 THR B 58 -3.574 18.652 26.736 1.00 33.60 C ATOM 0 H THR B 58 -1.505 16.876 25.053 1.00 20.66 H new ATOM 0 HA THR B 58 -1.667 17.116 27.730 1.00 32.97 H new ATOM 0 HB THR B 58 -3.994 16.857 27.578 1.00 27.73 H new ATOM 0 HG1 THR B 58 -4.507 15.813 25.900 1.00 25.88 H new ATOM 0 HG21 THR B 58 -4.501 18.925 26.648 1.00 33.60 H new ATOM 0 HG22 THR B 58 -3.202 19.027 27.550 1.00 33.60 H new ATOM 0 HG23 THR B 58 -3.069 18.973 25.972 1.00 33.60 H new ATOM 1597 N ILE B 59 -0.777 14.469 26.714 1.00 23.88 N ATOM 1598 CA ILE B 59 -0.636 13.070 26.910 1.00 26.85 C ATOM 1599 C ILE B 59 0.117 12.891 28.207 1.00 19.03 C ATOM 1600 O ILE B 59 1.151 13.527 28.442 1.00 23.92 O ATOM 1601 CB ILE B 59 0.054 12.398 25.685 1.00 26.57 C ATOM 1602 CG1 ILE B 59 -0.590 13.014 24.343 1.00 23.49 C ATOM 1603 CG2 ILE B 59 -0.144 10.836 25.761 1.00 22.68 C ATOM 1604 CD1 ILE B 59 -2.001 12.641 24.159 1.00 25.58 C ATOM 0 H ILE B 59 -0.116 14.839 26.307 1.00 23.88 H new ATOM 0 HA ILE B 59 -1.495 12.625 26.977 1.00 26.85 H new ATOM 0 HB ILE B 59 1.008 12.573 25.684 1.00 26.57 H new ATOM 0 HG12 ILE B 59 -0.517 13.981 24.370 1.00 23.49 H new ATOM 0 HG13 ILE B 59 -0.078 12.712 23.576 1.00 23.49 H new ATOM 0 HG21 ILE B 59 0.285 10.418 24.998 1.00 22.68 H new ATOM 0 HG22 ILE B 59 0.252 10.499 26.580 1.00 22.68 H new ATOM 0 HG23 ILE B 59 -1.092 10.629 25.752 1.00 22.68 H new ATOM 0 HD11 ILE B 59 -2.336 13.037 23.340 1.00 25.58 H new ATOM 0 HD12 ILE B 59 -2.076 11.675 24.105 1.00 25.58 H new ATOM 0 HD13 ILE B 59 -2.522 12.964 24.911 1.00 25.58 H new ATOM 1605 N TYR B 60 -0.303 11.841 28.901 1.00 20.15 N ATOM 1606 CA TYR B 60 0.272 11.563 30.203 1.00 21.13 C ATOM 1607 C TYR B 60 0.203 10.067 30.439 1.00 21.15 C ATOM 1608 O TYR B 60 -0.580 9.290 29.769 1.00 26.27 O ATOM 1609 CB TYR B 60 -0.691 12.115 31.356 1.00 25.15 C ATOM 1610 CG TYR B 60 -0.888 13.620 31.448 1.00 26.60 C ATOM 1611 CD1 TYR B 60 -1.848 14.261 30.652 1.00 28.06 C ATOM 1612 CD2 TYR B 60 -0.119 14.406 32.340 1.00 27.01 C ATOM 1613 CE1 TYR B 60 -2.051 15.633 30.697 1.00 28.16 C ATOM 1614 CE2 TYR B 60 -0.339 15.781 32.412 1.00 29.21 C ATOM 1615 CZ TYR B 60 -1.311 16.399 31.563 1.00 31.71 C ATOM 1616 OH TYR B 60 -1.515 17.784 31.585 1.00 34.29 O ATOM 0 H TYR B 60 -0.908 11.288 28.640 1.00 20.15 H new ATOM 0 HA TYR B 60 1.163 11.947 30.222 1.00 21.13 H new ATOM 0 HB2 TYR B 60 -1.563 11.706 31.239 1.00 25.15 H new ATOM 0 HB3 TYR B 60 -0.345 11.806 32.208 1.00 25.15 H new ATOM 0 HD1 TYR B 60 -2.366 13.749 30.074 1.00 28.06 H new ATOM 0 HD2 TYR B 60 0.529 14.007 32.875 1.00 27.01 H new ATOM 0 HE1 TYR B 60 -2.684 16.031 30.144 1.00 28.16 H new ATOM 0 HE2 TYR B 60 0.147 16.298 33.013 1.00 29.21 H new ATOM 0 HH TYR B 60 -1.282 18.090 32.332 1.00 34.29 H new ATOM 1617 N THR B 61 1.047 9.657 31.390 1.00 25.47 N ATOM 1618 CA THR B 61 0.939 8.337 32.010 1.00 21.86 C ATOM 1619 C THR B 61 0.373 8.479 33.426 1.00 22.07 C ATOM 1620 O THR B 61 0.565 9.594 34.000 1.00 22.67 O ATOM 1621 CB THR B 61 2.233 7.563 32.180 1.00 21.60 C ATOM 1622 OG1 THR B 61 3.214 8.327 32.839 1.00 23.39 O ATOM 1623 CG2 THR B 61 2.717 7.108 30.697 1.00 17.28 C ATOM 0 H THR B 61 1.695 10.136 31.691 1.00 25.47 H new ATOM 0 HA THR B 61 0.376 7.847 31.391 1.00 21.86 H new ATOM 0 HB THR B 61 2.090 6.784 32.740 1.00 21.60 H new ATOM 0 HG1 THR B 61 3.080 8.300 33.668 1.00 23.39 H new ATOM 0 HG21 THR B 61 3.545 6.608 30.766 1.00 17.28 H new ATOM 0 HG22 THR B 61 2.036 6.549 30.291 1.00 17.28 H new ATOM 0 HG23 THR B 61 2.859 7.894 30.147 1.00 17.28 H new ATOM 1624 N MET B 62 -0.313 7.418 33.936 1.00 21.32 N ATOM 1625 CA MET B 62 -0.856 7.609 35.361 1.00 21.15 C ATOM 1626 C MET B 62 -0.302 6.374 36.076 1.00 25.38 C ATOM 1627 O MET B 62 -0.420 5.213 35.585 1.00 17.35 O ATOM 1628 CB MET B 62 -2.384 7.532 35.370 1.00 22.95 C ATOM 1629 CG MET B 62 -3.047 8.698 34.516 1.00 22.20 C ATOM 1630 SD MET B 62 -4.809 8.363 34.524 1.00 30.15 S ATOM 1631 CE MET B 62 -5.133 8.595 36.351 1.00 27.51 C ATOM 0 H MET B 62 -0.471 6.666 33.550 1.00 21.32 H new ATOM 0 HA MET B 62 -0.610 8.460 35.755 1.00 21.15 H new ATOM 0 HB2 MET B 62 -2.665 6.674 35.016 1.00 22.95 H new ATOM 0 HB3 MET B 62 -2.704 7.581 36.285 1.00 22.95 H new ATOM 0 HG2 MET B 62 -2.856 9.566 34.904 1.00 22.20 H new ATOM 0 HG3 MET B 62 -2.698 8.709 33.611 1.00 22.20 H new ATOM 0 HE1 MET B 62 -6.083 8.728 36.497 1.00 27.51 H new ATOM 0 HE2 MET B 62 -4.840 7.807 36.835 1.00 27.51 H new ATOM 0 HE3 MET B 62 -4.645 9.370 36.670 1.00 27.51 H new ATOM 1632 N GLN B 63 0.339 6.573 37.222 1.00 16.66 N ATOM 1633 CA GLN B 63 0.857 5.427 37.960 1.00 21.61 C ATOM 1634 C GLN B 63 0.528 5.532 39.442 1.00 24.43 C ATOM 1635 O GLN B 63 0.771 6.567 40.033 1.00 22.30 O ATOM 1636 CB GLN B 63 2.360 5.426 37.853 1.00 24.25 C ATOM 1637 CG GLN B 63 3.091 4.101 38.430 1.00 20.13 C ATOM 1638 CD GLN B 63 4.585 4.145 38.146 1.00 25.40 C ATOM 1639 OE1 GLN B 63 5.176 5.223 38.040 1.00 28.86 O ATOM 1640 NE2 GLN B 63 5.204 2.996 38.044 1.00 26.57 N ATOM 0 H GLN B 63 0.482 7.341 37.582 1.00 16.66 H new ATOM 0 HA GLN B 63 0.457 4.625 37.588 1.00 21.61 H new ATOM 0 HB2 GLN B 63 2.604 5.532 36.920 1.00 24.25 H new ATOM 0 HB3 GLN B 63 2.704 6.200 38.326 1.00 24.25 H new ATOM 0 HG2 GLN B 63 2.941 4.033 39.386 1.00 20.13 H new ATOM 0 HG3 GLN B 63 2.703 3.310 38.025 1.00 20.13 H new ATOM 0 HE21 GLN B 63 4.763 2.262 38.123 1.00 26.57 H new ATOM 0 HE22 GLN B 63 6.051 2.975 37.898 1.00 26.57 H new ATOM 1641 N ALA B 64 0.067 4.459 40.008 1.00 22.66 N ATOM 1642 CA ALA B 64 -0.224 4.559 41.447 1.00 25.56 C ATOM 1643 C ALA B 64 1.102 4.722 42.259 1.00 27.25 C ATOM 1644 O ALA B 64 2.238 4.317 41.921 1.00 25.62 O ATOM 1645 CB ALA B 64 -1.025 3.344 41.898 1.00 22.28 C ATOM 0 H ALA B 64 -0.084 3.701 39.630 1.00 22.66 H new ATOM 0 HA ALA B 64 -0.763 5.348 41.615 1.00 25.56 H new ATOM 0 HB1 ALA B 64 -1.214 3.415 42.847 1.00 22.28 H new ATOM 0 HB2 ALA B 64 -1.859 3.305 41.405 1.00 22.28 H new ATOM 0 HB3 ALA B 64 -0.512 2.538 41.730 1.00 22.28 H new ATOM 1646 N VAL B 65 0.951 5.273 43.442 1.00 25.13 N ATOM 1647 CA VAL B 65 2.062 5.520 44.277 1.00 24.03 C ATOM 1648 C VAL B 65 2.497 4.251 44.972 1.00 24.42 C ATOM 1649 O VAL B 65 3.689 3.972 45.039 1.00 29.80 O ATOM 1650 CB VAL B 65 1.635 6.616 45.392 1.00 25.76 C ATOM 1651 CG1 VAL B 65 2.700 6.619 46.508 1.00 27.89 C ATOM 1652 CG2 VAL B 65 1.515 8.098 44.718 1.00 24.13 C ATOM 0 H VAL B 65 0.193 5.510 43.772 1.00 25.13 H new ATOM 0 HA VAL B 65 2.800 5.848 43.739 1.00 24.03 H new ATOM 0 HB VAL B 65 0.769 6.386 45.763 1.00 25.76 H new ATOM 0 HG11 VAL B 65 2.458 7.271 47.184 1.00 27.89 H new ATOM 0 HG12 VAL B 65 2.749 5.738 46.911 1.00 27.89 H new ATOM 0 HG13 VAL B 65 3.563 6.850 46.131 1.00 27.89 H new ATOM 0 HG21 VAL B 65 1.259 8.742 45.396 1.00 24.13 H new ATOM 0 HG22 VAL B 65 2.371 8.351 44.338 1.00 24.13 H new ATOM 0 HG23 VAL B 65 0.843 8.082 44.018 1.00 24.13 H new ATOM 1653 N ASN B 66 1.535 3.433 45.376 1.00 25.97 N ATOM 1654 CA ASN B 66 1.856 2.107 45.941 1.00 31.33 C ATOM 1655 C ASN B 66 0.713 1.110 45.922 1.00 25.86 C ATOM 1656 O ASN B 66 -0.341 1.415 46.429 1.00 26.07 O ATOM 1657 CB ASN B 66 2.343 2.219 47.392 1.00 33.62 C ATOM 1658 CG ASN B 66 2.918 0.900 47.896 1.00 38.63 C ATOM 1659 OD1 ASN B 66 3.810 0.341 47.263 1.00 32.44 O ATOM 1660 ND2 ASN B 66 2.478 0.449 49.069 1.00 42.78 N ATOM 0 H ASN B 66 0.695 3.614 45.337 1.00 25.97 H new ATOM 0 HA ASN B 66 2.553 1.773 45.354 1.00 31.33 H new ATOM 0 HB2 ASN B 66 3.019 2.912 47.454 1.00 33.62 H new ATOM 0 HB3 ASN B 66 1.606 2.490 47.961 1.00 33.62 H new ATOM 0 HD21 ASN B 66 2.821 -0.261 49.413 1.00 42.78 H new ATOM 0 HD22 ASN B 66 1.851 0.868 49.483 1.00 42.78 H new ATOM 1661 N PRO B 67 0.840 -0.082 45.251 1.00 22.21 N ATOM 1662 CA PRO B 67 2.040 -0.492 44.505 1.00 26.89 C ATOM 1663 C PRO B 67 2.244 0.410 43.250 1.00 29.74 C ATOM 1664 O PRO B 67 1.247 1.010 42.838 1.00 26.89 O ATOM 1665 CB PRO B 67 1.680 -1.978 44.115 1.00 29.44 C ATOM 1666 CG PRO B 67 0.237 -1.998 43.957 1.00 23.23 C ATOM 1667 CD PRO B 67 -0.259 -1.035 45.070 1.00 29.52 C ATOM 0 HA PRO B 67 2.870 -0.415 45.001 1.00 26.89 H new ATOM 0 HB2 PRO B 67 2.125 -2.241 43.294 1.00 29.44 H new ATOM 0 HB3 PRO B 67 1.965 -2.599 44.804 1.00 29.44 H new ATOM 0 HG2 PRO B 67 -0.031 -1.694 43.076 1.00 23.23 H new ATOM 0 HG3 PRO B 67 -0.123 -2.892 44.070 1.00 23.23 H new ATOM 0 HD2 PRO B 67 -1.077 -0.584 44.808 1.00 29.52 H new ATOM 0 HD3 PRO B 67 -0.450 -1.514 45.892 1.00 29.52 H new ATOM 1668 N GLN B 68 3.347 0.288 42.489 1.00 23.52 N ATOM 1669 CA GLN B 68 3.518 1.286 41.409 1.00 26.05 C ATOM 1670 C GLN B 68 2.972 0.672 40.114 1.00 21.56 C ATOM 1671 O GLN B 68 3.703 0.508 39.151 1.00 28.26 O ATOM 1672 CB GLN B 68 4.995 1.696 41.306 1.00 29.82 C ATOM 1673 CG GLN B 68 5.517 2.368 42.602 1.00 33.23 C ATOM 1674 CD GLN B 68 6.927 2.953 42.458 1.00 44.69 C ATOM 1675 OE1 GLN B 68 7.095 4.166 42.261 1.00 49.13 O ATOM 1676 NE2 GLN B 68 7.953 2.089 42.552 1.00 47.42 N ATOM 0 H GLN B 68 3.961 -0.310 42.567 1.00 23.52 H new ATOM 0 HA GLN B 68 3.024 2.100 41.592 1.00 26.05 H new ATOM 0 HB2 GLN B 68 5.532 0.912 41.113 1.00 29.82 H new ATOM 0 HB3 GLN B 68 5.107 2.307 40.561 1.00 29.82 H new ATOM 0 HG2 GLN B 68 4.905 3.075 42.861 1.00 33.23 H new ATOM 0 HG3 GLN B 68 5.516 1.716 43.320 1.00 33.23 H new ATOM 0 HE21 GLN B 68 7.801 1.254 42.689 1.00 47.42 H new ATOM 0 HE22 GLN B 68 8.762 2.372 42.475 1.00 47.42 H new ATOM 1677 N SER B 69 1.667 0.448 40.085 1.00 24.40 N ATOM 1678 CA SER B 69 1.115 -0.083 38.850 1.00 20.02 C ATOM 1679 C SER B 69 0.613 1.082 37.986 1.00 26.37 C ATOM 1680 O SER B 69 0.080 2.088 38.454 1.00 21.37 O ATOM 1681 CB SER B 69 -0.049 -0.969 39.134 1.00 14.74 C ATOM 1682 OG SER B 69 0.399 -2.065 39.853 1.00 29.52 O ATOM 0 H SER B 69 1.112 0.586 40.727 1.00 24.40 H new ATOM 0 HA SER B 69 1.808 -0.587 38.396 1.00 20.02 H new ATOM 0 HB2 SER B 69 -0.724 -0.488 39.638 1.00 14.74 H new ATOM 0 HB3 SER B 69 -0.464 -1.256 38.306 1.00 14.74 H new ATOM 0 HG SER B 69 1.237 -2.107 39.808 1.00 29.52 H new ATOM 1683 N TYR B 70 0.919 1.004 36.712 1.00 21.86 N ATOM 1684 CA TYR B 70 0.254 2.010 35.818 1.00 22.36 C ATOM 1685 C TYR B 70 -1.179 1.699 35.426 1.00 22.99 C ATOM 1686 O TYR B 70 -1.560 0.604 35.470 1.00 20.77 O ATOM 1687 CB TYR B 70 1.021 2.127 34.482 1.00 25.04 C ATOM 1688 CG TYR B 70 2.387 2.630 34.587 1.00 21.13 C ATOM 1689 CD1 TYR B 70 2.641 4.056 34.553 1.00 22.15 C ATOM 1690 CD2 TYR B 70 3.502 1.741 34.666 1.00 27.64 C ATOM 1691 CE1 TYR B 70 3.968 4.541 34.587 1.00 24.01 C ATOM 1692 CE2 TYR B 70 4.872 2.283 34.718 1.00 27.67 C ATOM 1693 CZ TYR B 70 5.066 3.627 34.682 1.00 28.09 C ATOM 1694 OH TYR B 70 6.367 4.087 34.725 1.00 28.76 O ATOM 0 H TYR B 70 1.455 0.442 36.342 1.00 21.86 H new ATOM 0 HA TYR B 70 0.259 2.820 36.352 1.00 22.36 H new ATOM 0 HB2 TYR B 70 1.046 1.253 34.063 1.00 25.04 H new ATOM 0 HB3 TYR B 70 0.522 2.711 33.890 1.00 25.04 H new ATOM 0 HD1 TYR B 70 1.930 4.653 34.509 1.00 22.15 H new ATOM 0 HD2 TYR B 70 3.364 0.821 34.685 1.00 27.64 H new ATOM 0 HE1 TYR B 70 4.128 5.456 34.548 1.00 24.01 H new ATOM 0 HE2 TYR B 70 5.600 1.707 34.775 1.00 27.67 H new ATOM 0 HH TYR B 70 6.893 3.435 34.781 1.00 28.76 H new ATOM 1695 N VAL B 71 -1.970 2.723 35.018 1.00 22.67 N ATOM 1696 CA VAL B 71 -3.319 2.595 34.528 1.00 17.64 C ATOM 1697 C VAL B 71 -3.171 2.119 33.064 1.00 24.24 C ATOM 1698 O VAL B 71 -2.362 2.698 32.324 1.00 18.65 O ATOM 1699 CB VAL B 71 -4.011 3.975 34.422 1.00 20.55 C ATOM 1700 CG1 VAL B 71 -5.395 3.685 33.775 1.00 20.33 C ATOM 1701 CG2 VAL B 71 -4.265 4.501 35.844 1.00 19.66 C ATOM 0 H VAL B 71 -1.699 3.539 35.029 1.00 22.67 H new ATOM 0 HA VAL B 71 -3.826 2.011 35.114 1.00 17.64 H new ATOM 0 HB VAL B 71 -3.482 4.615 33.920 1.00 20.55 H new ATOM 0 HG11 VAL B 71 -5.887 4.515 33.678 1.00 20.33 H new ATOM 0 HG12 VAL B 71 -5.266 3.282 32.902 1.00 20.33 H new ATOM 0 HG13 VAL B 71 -5.896 3.077 34.341 1.00 20.33 H new ATOM 0 HG21 VAL B 71 -4.699 5.367 35.796 1.00 19.66 H new ATOM 0 HG22 VAL B 71 -4.836 3.879 36.322 1.00 19.66 H new ATOM 0 HG23 VAL B 71 -3.420 4.589 36.312 1.00 19.66 H new ATOM 1702 N ARG B 72 -3.783 1.002 32.793 1.00 20.89 N ATOM 1703 CA ARG B 72 -3.681 0.409 31.442 1.00 27.11 C ATOM 1704 C ARG B 72 -5.057 -0.159 31.026 1.00 26.54 C ATOM 1705 O ARG B 72 -5.892 -0.441 31.900 1.00 23.66 O ATOM 1706 CB ARG B 72 -2.633 -0.771 31.486 1.00 18.48 C ATOM 1707 CG ARG B 72 -2.435 -1.282 30.024 1.00 24.30 C ATOM 1708 CD ARG B 72 -1.485 -2.421 30.124 1.00 23.54 C ATOM 1709 NE ARG B 72 -1.131 -2.982 28.753 1.00 23.69 N ATOM 1710 CZ ARG B 72 -0.142 -3.868 28.644 1.00 29.73 C ATOM 1711 NH1 ARG B 72 0.499 -4.159 29.730 1.00 26.21 N ATOM 1712 NH2 ARG B 72 0.277 -4.386 27.452 1.00 27.42 N ATOM 0 H ARG B 72 -4.262 0.558 33.352 1.00 20.89 H new ATOM 0 HA ARG B 72 -3.401 1.085 30.805 1.00 27.11 H new ATOM 0 HB2 ARG B 72 -1.791 -0.465 31.857 1.00 18.48 H new ATOM 0 HB3 ARG B 72 -2.951 -1.488 32.057 1.00 18.48 H new ATOM 0 HG2 ARG B 72 -3.278 -1.564 29.636 1.00 24.30 H new ATOM 0 HG3 ARG B 72 -2.081 -0.581 29.454 1.00 24.30 H new ATOM 0 HD2 ARG B 72 -0.676 -2.130 30.573 1.00 23.54 H new ATOM 0 HD3 ARG B 72 -1.876 -3.122 30.669 1.00 23.54 H new ATOM 0 HE ARG B 72 -1.566 -2.729 28.055 1.00 23.69 H new ATOM 0 HH11 ARG B 72 0.278 -3.786 30.473 1.00 26.21 H new ATOM 0 HH12 ARG B 72 1.145 -4.726 29.709 1.00 26.21 H new ATOM 0 HH21 ARG B 72 -0.103 -4.142 26.720 1.00 27.42 H new ATOM 0 HH22 ARG B 72 0.921 -4.956 27.433 1.00 27.42 H new ATOM 1713 N VAL B 73 -5.418 0.009 29.715 1.00 26.09 N ATOM 1714 CA VAL B 73 -6.599 -0.678 29.240 1.00 25.85 C ATOM 1715 C VAL B 73 -6.259 -2.122 29.040 1.00 25.36 C ATOM 1716 O VAL B 73 -5.248 -2.406 28.380 1.00 26.81 O ATOM 1717 CB VAL B 73 -7.192 -0.105 27.883 1.00 22.78 C ATOM 1718 CG1 VAL B 73 -8.402 -0.984 27.492 1.00 20.56 C ATOM 1719 CG2 VAL B 73 -7.338 1.390 28.038 1.00 20.49 C ATOM 0 H VAL B 73 -5.003 0.492 29.137 1.00 26.09 H new ATOM 0 HA VAL B 73 -7.284 -0.546 29.914 1.00 25.85 H new ATOM 0 HB VAL B 73 -6.627 -0.173 27.097 1.00 22.78 H new ATOM 0 HG11 VAL B 73 -8.786 -0.656 26.664 1.00 20.56 H new ATOM 0 HG12 VAL B 73 -8.111 -1.901 27.372 1.00 20.56 H new ATOM 0 HG13 VAL B 73 -9.070 -0.947 28.194 1.00 20.56 H new ATOM 0 HG21 VAL B 73 -7.700 1.767 27.220 1.00 20.49 H new ATOM 0 HG22 VAL B 73 -7.939 1.582 28.775 1.00 20.49 H new ATOM 0 HG23 VAL B 73 -6.470 1.783 28.218 1.00 20.49 H new ATOM 1720 N ARG B 74 -7.115 -3.070 29.533 1.00 25.18 N ATOM 1721 CA AARG B 74 -6.851 -4.506 29.462 0.53 30.85 C ATOM 1722 CA BARG B 74 -6.690 -4.478 29.519 0.47 32.79 C ATOM 1723 C ARG B 74 -6.495 -4.914 28.018 1.00 29.35 C ATOM 1724 O ARG B 74 -7.278 -4.657 27.131 1.00 33.05 O ATOM 1725 CB AARG B 74 -8.132 -5.297 29.935 0.53 29.85 C ATOM 1726 CB BARG B 74 -7.798 -5.361 30.127 0.47 33.11 C ATOM 1727 CG AARG B 74 -8.067 -6.842 29.737 0.53 32.67 C ATOM 1728 CG BARG B 74 -7.472 -6.841 29.935 0.47 32.28 C ATOM 1729 CD AARG B 74 -9.163 -7.706 30.548 0.53 34.59 C ATOM 1730 CD BARG B 74 -7.971 -7.814 31.005 0.47 37.90 C ATOM 1731 NE AARG B 74 -8.733 -7.719 31.943 0.53 33.32 N ATOM 1732 NE BARG B 74 -7.523 -9.138 30.587 0.47 33.17 N ATOM 1733 CZ AARG B 74 -9.407 -7.750 33.121 0.53 38.04 C ATOM 1734 CZ BARG B 74 -7.336 -10.175 31.371 0.47 37.79 C ATOM 1735 NH1AARG B 74 -8.619 -7.634 34.256 0.53 18.46 N ATOM 1736 NH1BARG B 74 -6.869 -11.328 30.798 0.47 31.34 N ATOM 1737 NH2AARG B 74 -10.743 -8.058 33.230 0.53 30.60 N ATOM 1738 NH2BARG B 74 -7.674 -10.057 32.666 0.47 28.28 N ATOM 0 H AARG B 74 -7.861 -2.876 29.915 0.53 25.18 H new ATOM 0 H BARG B 74 -7.896 -2.917 29.858 0.47 25.18 H new ATOM 0 HA AARG B 74 -6.102 -4.719 30.040 0.53 32.79 H new ATOM 0 HA BARG B 74 -5.870 -4.578 30.028 0.47 32.79 H new ATOM 0 HB2AARG B 74 -8.280 -5.112 30.875 0.53 33.11 H new ATOM 0 HB2BARG B 74 -7.892 -5.165 31.072 0.47 33.11 H new ATOM 0 HB3AARG B 74 -8.902 -4.955 29.454 0.53 33.11 H new ATOM 0 HB3BARG B 74 -8.649 -5.155 29.709 0.47 33.11 H new ATOM 0 HG2AARG B 74 -8.166 -7.033 28.791 0.53 32.28 H new ATOM 0 HG2BARG B 74 -7.838 -7.121 29.081 0.47 32.28 H new ATOM 0 HG3AARG B 74 -7.184 -7.147 29.997 0.53 32.28 H new ATOM 0 HG3BARG B 74 -6.508 -6.931 29.874 0.47 32.28 H new ATOM 0 HD2AARG B 74 -10.045 -7.312 30.463 0.53 37.90 H new ATOM 0 HD2BARG B 74 -7.612 -7.585 31.877 0.47 37.90 H new ATOM 0 HD3AARG B 74 -9.220 -8.608 30.196 0.53 37.90 H new ATOM 0 HD3BARG B 74 -8.938 -7.782 31.079 0.47 37.90 H new ATOM 0 HE AARG B 74 -7.878 -7.704 32.038 0.53 33.17 H new ATOM 0 HE BARG B 74 -7.367 -9.250 29.749 0.47 33.17 H new ATOM 0 HH11AARG B 74 -7.766 -7.550 34.181 0.53 31.34 H new ATOM 0 HH11BARG B 74 -6.709 -11.354 29.953 0.47 31.34 H new ATOM 0 HH12AARG B 74 -8.983 -7.646 35.035 0.53 31.34 H new ATOM 0 HH12BARG B 74 -6.736 -12.026 31.283 0.47 31.34 H new ATOM 0 HH21AARG B 74 -11.200 -8.245 32.526 0.53 28.28 H new ATOM 0 HH21BARG B 74 -8.002 -9.318 32.959 0.47 28.28 H new ATOM 0 HH22AARG B 74 -11.121 -8.063 34.002 0.53 28.28 H new ATOM 0 HH22BARG B 74 -7.562 -10.720 33.202 0.47 28.28 H new ATOM 1739 N ASP B 75 -5.364 -5.605 27.825 1.00 27.49 N ATOM 1740 CA ASP B 75 -4.934 -6.115 26.529 1.00 32.80 C ATOM 1741 C ASP B 75 -4.867 -5.054 25.471 1.00 31.56 C ATOM 1742 O ASP B 75 -4.881 -5.420 24.283 1.00 29.46 O ATOM 1743 CB ASP B 75 -5.937 -7.130 25.973 1.00 38.91 C ATOM 1744 CG ASP B 75 -6.014 -8.394 26.799 1.00 44.92 C ATOM 1745 OD1 ASP B 75 -6.844 -9.241 26.476 1.00 49.97 O ATOM 1746 OD2 ASP B 75 -5.254 -8.560 27.761 1.00 47.12 O ATOM 0 H ASP B 75 -4.818 -5.791 28.463 1.00 27.49 H new ATOM 0 HA ASP B 75 -4.059 -6.496 26.702 1.00 32.80 H new ATOM 0 HB2 ASP B 75 -6.816 -6.721 25.933 1.00 38.91 H new ATOM 0 HB3 ASP B 75 -5.689 -7.358 25.063 1.00 38.91 H new ATOM 1747 N ASP B 76 -4.634 -3.825 25.893 1.00 24.72 N ATOM 1748 CA ASP B 76 -4.615 -2.654 24.943 1.00 30.40 C ATOM 1749 C ASP B 76 -5.774 -2.673 23.923 1.00 31.98 C ATOM 1750 O ASP B 76 -5.608 -2.221 22.775 1.00 29.87 O ATOM 1751 CB ASP B 76 -3.242 -2.588 24.223 1.00 28.77 C ATOM 1752 CG ASP B 76 -2.087 -2.743 25.196 1.00 28.91 C ATOM 1753 OD1 ASP B 76 -1.302 -3.669 25.028 1.00 28.06 O ATOM 1754 OD2 ASP B 76 -2.018 -1.976 26.164 1.00 28.56 O ATOM 0 H ASP B 76 -4.482 -3.619 26.714 1.00 24.72 H new ATOM 0 HA ASP B 76 -4.746 -1.853 25.474 1.00 30.40 H new ATOM 0 HB2 ASP B 76 -3.195 -3.286 23.551 1.00 28.77 H new ATOM 0 HB3 ASP B 76 -3.161 -1.741 23.757 1.00 28.77 H new ATOM 1755 N ASN B 77 -6.949 -3.109 24.392 1.00 28.56 N ATOM 1756 CA ASN B 77 -8.157 -3.294 23.593 1.00 29.79 C ATOM 1757 C ASN B 77 -8.938 -2.039 23.776 1.00 25.86 C ATOM 1758 O ASN B 77 -9.839 -1.913 24.631 1.00 23.92 O ATOM 1759 CB ASN B 77 -8.879 -4.542 24.125 1.00 30.31 C ATOM 1760 CG ASN B 77 -10.095 -4.929 23.337 1.00 36.34 C ATOM 1761 OD1 ASN B 77 -10.232 -4.616 22.167 1.00 29.58 O ATOM 1762 ND2 ASN B 77 -11.044 -5.502 24.032 1.00 34.93 N ATOM 0 H ASN B 77 -7.064 -3.312 25.220 1.00 28.56 H new ATOM 0 HA ASN B 77 -8.002 -3.440 22.647 1.00 29.79 H new ATOM 0 HB2 ASN B 77 -8.257 -5.287 24.128 1.00 30.31 H new ATOM 0 HB3 ASN B 77 -9.139 -4.385 25.046 1.00 30.31 H new ATOM 0 HD21 ASN B 77 -11.803 -5.673 23.665 1.00 34.93 H new ATOM 0 HD22 ASN B 77 -10.909 -5.708 24.856 1.00 34.93 H new ATOM 1763 N LEU B 78 -8.661 -1.099 22.886 1.00 28.23 N ATOM 1764 CA LEU B 78 -9.220 0.234 22.938 1.00 26.49 C ATOM 1765 C LEU B 78 -10.596 0.334 22.295 1.00 33.11 C ATOM 1766 O LEU B 78 -10.782 0.912 21.209 1.00 29.87 O ATOM 1767 CB LEU B 78 -8.199 1.242 22.298 1.00 28.38 C ATOM 1768 CG LEU B 78 -6.804 1.199 22.959 1.00 26.09 C ATOM 1769 CD1 LEU B 78 -5.910 2.227 22.295 1.00 25.07 C ATOM 1770 CD2 LEU B 78 -6.888 1.494 24.550 1.00 28.75 C ATOM 0 H LEU B 78 -8.130 -1.224 22.221 1.00 28.23 H new ATOM 0 HA LEU B 78 -9.362 0.465 23.869 1.00 26.49 H new ATOM 0 HB2 LEU B 78 -8.108 1.045 21.353 1.00 28.38 H new ATOM 0 HB3 LEU B 78 -8.555 2.142 22.367 1.00 28.38 H new ATOM 0 HG LEU B 78 -6.438 0.308 22.843 1.00 26.09 H new ATOM 0 HD11 LEU B 78 -5.031 2.206 22.706 1.00 25.07 H new ATOM 0 HD12 LEU B 78 -5.830 2.024 21.350 1.00 25.07 H new ATOM 0 HD13 LEU B 78 -6.296 3.110 22.404 1.00 25.07 H new ATOM 0 HD21 LEU B 78 -5.998 1.460 24.933 1.00 28.75 H new ATOM 0 HD22 LEU B 78 -7.269 2.374 24.696 1.00 28.75 H new ATOM 0 HD23 LEU B 78 -7.448 0.825 24.974 1.00 28.75 H new ATOM 1771 N VAL B 79 -11.561 -0.262 22.960 1.00 28.14 N ATOM 1772 CA VAL B 79 -12.958 -0.312 22.492 1.00 29.05 C ATOM 1773 C VAL B 79 -13.891 -0.017 23.652 1.00 36.08 C ATOM 1774 O VAL B 79 -13.489 -0.002 24.813 1.00 31.35 O ATOM 1775 CB VAL B 79 -13.295 -1.718 21.920 1.00 30.91 C ATOM 1776 CG1 VAL B 79 -12.371 -2.017 20.756 1.00 32.52 C ATOM 1777 CG2 VAL B 79 -13.156 -2.891 23.016 1.00 31.57 C ATOM 0 H VAL B 79 -11.436 -0.661 23.712 1.00 28.14 H new ATOM 0 HA VAL B 79 -13.072 0.350 21.792 1.00 29.05 H new ATOM 0 HB VAL B 79 -14.222 -1.697 21.635 1.00 30.91 H new ATOM 0 HG11 VAL B 79 -12.577 -2.894 20.396 1.00 32.52 H new ATOM 0 HG12 VAL B 79 -12.493 -1.347 20.065 1.00 32.52 H new ATOM 0 HG13 VAL B 79 -11.450 -2.002 21.061 1.00 32.52 H new ATOM 0 HG21 VAL B 79 -13.377 -3.743 22.608 1.00 31.57 H new ATOM 0 HG22 VAL B 79 -12.245 -2.918 23.348 1.00 31.57 H new ATOM 0 HG23 VAL B 79 -13.763 -2.719 23.753 1.00 31.57 H new ATOM 1778 N ASP B 80 -15.117 0.348 23.306 1.00 29.62 N ATOM 1779 CA ASP B 80 -16.179 0.593 24.260 1.00 35.50 C ATOM 1780 C ASP B 80 -16.358 -0.547 25.272 1.00 30.32 C ATOM 1781 O ASP B 80 -16.395 -1.723 24.958 1.00 33.54 O ATOM 1782 CB ASP B 80 -17.514 0.773 23.453 1.00 33.66 C ATOM 1783 CG ASP B 80 -18.677 1.282 24.320 1.00 39.04 C ATOM 1784 OD1 ASP B 80 -18.465 1.849 25.409 1.00 32.46 O ATOM 1785 OD2 ASP B 80 -19.821 1.081 23.882 1.00 38.61 O ATOM 0 H ASP B 80 -15.358 0.462 22.488 1.00 29.62 H new ATOM 0 HA ASP B 80 -15.947 1.385 24.770 1.00 35.50 H new ATOM 0 HB2 ASP B 80 -17.364 1.396 22.724 1.00 33.66 H new ATOM 0 HB3 ASP B 80 -17.762 -0.076 23.054 1.00 33.66 H new ATOM 1786 N GLY B 81 -16.393 -0.135 26.492 1.00 33.03 N ATOM 1787 CA GLY B 81 -16.637 -1.100 27.589 1.00 31.00 C ATOM 1788 C GLY B 81 -15.400 -1.853 28.111 1.00 32.05 C ATOM 1789 O GLY B 81 -15.496 -2.679 29.066 1.00 31.85 O ATOM 0 H GLY B 81 -16.283 0.682 26.739 1.00 33.03 H new ATOM 0 HA2 GLY B 81 -17.041 -0.624 28.331 1.00 31.00 H new ATOM 0 HA3 GLY B 81 -17.286 -1.753 27.284 1.00 31.00 H new ATOM 1790 N ALA B 82 -14.193 -1.435 27.667 1.00 31.83 N ATOM 1791 CA ALA B 82 -13.013 -2.269 28.012 1.00 27.12 C ATOM 1792 C ALA B 82 -12.569 -1.914 29.476 1.00 27.61 C ATOM 1793 O ALA B 82 -12.720 -0.815 29.948 1.00 26.74 O ATOM 1794 CB ALA B 82 -11.873 -2.053 26.971 1.00 22.32 C ATOM 0 H ALA B 82 -14.040 -0.729 27.201 1.00 31.83 H new ATOM 0 HA ALA B 82 -13.237 -3.212 27.979 1.00 27.12 H new ATOM 0 HB1 ALA B 82 -11.110 -2.603 27.208 1.00 22.32 H new ATOM 0 HB2 ALA B 82 -12.189 -2.302 26.088 1.00 22.32 H new ATOM 0 HB3 ALA B 82 -11.610 -1.119 26.968 1.00 22.32 H new ATOM 1795 N ALA B 83 -11.953 -2.882 30.125 1.00 28.56 N ATOM 1796 CA ALA B 83 -11.609 -2.655 31.513 1.00 27.02 C ATOM 1797 C ALA B 83 -10.336 -1.827 31.718 1.00 27.69 C ATOM 1798 O ALA B 83 -9.408 -2.048 31.011 1.00 27.07 O ATOM 1799 CB ALA B 83 -11.373 -4.074 32.175 1.00 28.44 C ATOM 0 H ALA B 83 -11.732 -3.647 29.799 1.00 28.56 H new ATOM 0 HA ALA B 83 -12.337 -2.153 31.912 1.00 27.02 H new ATOM 0 HB1 ALA B 83 -11.139 -3.960 33.110 1.00 28.44 H new ATOM 0 HB2 ALA B 83 -12.184 -4.602 32.107 1.00 28.44 H new ATOM 0 HB3 ALA B 83 -10.651 -4.530 31.715 1.00 28.44 H new ATOM 1800 N LEU B 84 -10.295 -1.009 32.765 1.00 20.66 N ATOM 1801 CA LEU B 84 -9.090 -0.332 33.185 1.00 24.53 C ATOM 1802 C LEU B 84 -8.503 -1.257 34.325 1.00 25.37 C ATOM 1803 O LEU B 84 -9.296 -1.846 35.126 1.00 23.04 O ATOM 1804 CB LEU B 84 -9.430 1.036 33.750 1.00 23.22 C ATOM 1805 CG LEU B 84 -9.461 2.270 32.780 1.00 24.81 C ATOM 1806 CD1 LEU B 84 -8.169 2.446 31.765 1.00 23.68 C ATOM 1807 CD2 LEU B 84 -10.760 2.013 31.886 1.00 22.76 C ATOM 0 H LEU B 84 -10.980 -0.834 33.254 1.00 20.66 H new ATOM 0 HA LEU B 84 -8.466 -0.193 32.456 1.00 24.53 H new ATOM 0 HB2 LEU B 84 -10.302 0.971 34.171 1.00 23.22 H new ATOM 0 HB3 LEU B 84 -8.790 1.231 34.452 1.00 23.22 H new ATOM 0 HG LEU B 84 -9.450 3.079 33.315 1.00 24.81 H new ATOM 0 HD11 LEU B 84 -8.294 3.236 31.216 1.00 23.68 H new ATOM 0 HD12 LEU B 84 -7.357 2.542 32.288 1.00 23.68 H new ATOM 0 HD13 LEU B 84 -8.096 1.664 31.195 1.00 23.68 H new ATOM 0 HD21 LEU B 84 -10.862 2.736 31.247 1.00 22.76 H new ATOM 0 HD22 LEU B 84 -10.665 1.173 31.410 1.00 22.76 H new ATOM 0 HD23 LEU B 84 -11.543 1.974 32.457 1.00 22.76 H new ATOM 1808 N VAL B 85 -7.174 -1.455 34.276 1.00 23.53 N ATOM 1809 CA VAL B 85 -6.410 -2.358 35.182 1.00 23.92 C ATOM 1810 C VAL B 85 -5.073 -1.787 35.508 1.00 23.81 C ATOM 1811 O VAL B 85 -4.621 -0.848 34.794 1.00 21.83 O ATOM 1812 CB VAL B 85 -6.170 -3.724 34.517 1.00 16.90 C ATOM 1813 CG1 VAL B 85 -7.556 -4.433 34.119 1.00 21.43 C ATOM 1814 CG2 VAL B 85 -5.115 -3.742 33.146 1.00 18.74 C ATOM 0 H VAL B 85 -6.673 -1.059 33.700 1.00 23.53 H new ATOM 0 HA VAL B 85 -6.940 -2.457 35.988 1.00 23.92 H new ATOM 0 HB VAL B 85 -5.705 -4.221 35.208 1.00 16.90 H new ATOM 0 HG11 VAL B 85 -7.374 -5.290 33.703 1.00 21.43 H new ATOM 0 HG12 VAL B 85 -8.091 -4.569 34.917 1.00 21.43 H new ATOM 0 HG13 VAL B 85 -8.041 -3.869 33.497 1.00 21.43 H new ATOM 0 HG21 VAL B 85 -5.037 -4.648 32.810 1.00 18.74 H new ATOM 0 HG22 VAL B 85 -5.477 -3.170 32.451 1.00 18.74 H new ATOM 0 HG23 VAL B 85 -4.239 -3.418 33.407 1.00 18.74 H new ATOM 1815 N GLY B 86 -4.405 -2.336 36.561 1.00 25.96 N ATOM 1816 CA GLY B 86 -3.067 -1.915 36.830 1.00 20.71 C ATOM 1817 C GLY B 86 -2.134 -2.826 36.039 1.00 28.00 C ATOM 1818 O GLY B 86 -2.403 -3.998 35.862 1.00 22.48 O ATOM 0 H GLY B 86 -4.723 -2.930 37.095 1.00 25.96 H new ATOM 0 HA2 GLY B 86 -2.942 -0.989 36.570 1.00 20.71 H new ATOM 0 HA3 GLY B 86 -2.876 -1.971 37.779 1.00 20.71 H new ATOM 1819 N SER B 87 -0.984 -2.285 35.668 1.00 22.63 N ATOM 1820 CA SER B 87 -0.032 -3.040 34.829 1.00 24.19 C ATOM 1821 C SER B 87 1.319 -2.404 35.019 1.00 20.21 C ATOM 1822 O SER B 87 1.461 -1.276 35.310 1.00 27.13 O ATOM 1823 CB SER B 87 -0.354 -2.919 33.302 1.00 19.84 C ATOM 1824 OG SER B 87 0.473 -3.775 32.421 1.00 24.51 O ATOM 0 H SER B 87 -0.728 -1.493 35.882 1.00 22.63 H new ATOM 0 HA SER B 87 -0.075 -3.974 35.089 1.00 24.19 H new ATOM 0 HB2 SER B 87 -1.288 -3.141 33.163 1.00 19.84 H new ATOM 0 HB3 SER B 87 -0.239 -1.994 33.033 1.00 19.84 H new ATOM 0 HG SER B 87 0.419 -4.574 32.675 1.00 24.51 H new ATOM 1825 N GLN B 88 2.353 -3.175 34.682 1.00 18.75 N ATOM 1826 CA GLN B 88 3.725 -2.672 34.668 1.00 25.77 C ATOM 1827 C GLN B 88 3.948 -1.740 33.456 1.00 26.24 C ATOM 1828 O GLN B 88 4.999 -1.108 33.330 1.00 20.45 O ATOM 1829 CB GLN B 88 4.697 -3.891 34.582 1.00 25.63 C ATOM 1830 CG GLN B 88 4.788 -4.612 35.952 1.00 38.42 C ATOM 1831 CD GLN B 88 4.836 -3.656 37.159 1.00 42.72 C ATOM 1832 OE1 GLN B 88 3.944 -3.674 38.045 1.00 48.42 O ATOM 1833 NE2 GLN B 88 5.872 -2.819 37.209 1.00 43.27 N ATOM 0 H GLN B 88 2.278 -4.001 34.456 1.00 18.75 H new ATOM 0 HA GLN B 88 3.893 -2.164 35.477 1.00 25.77 H new ATOM 0 HB2 GLN B 88 4.387 -4.511 33.904 1.00 25.63 H new ATOM 0 HB3 GLN B 88 5.578 -3.590 34.310 1.00 25.63 H new ATOM 0 HG2 GLN B 88 4.024 -5.202 36.048 1.00 38.42 H new ATOM 0 HG3 GLN B 88 5.581 -5.171 35.961 1.00 38.42 H new ATOM 0 HE21 GLN B 88 6.466 -2.832 36.587 1.00 43.27 H new ATOM 0 HE22 GLN B 88 5.947 -2.266 37.864 1.00 43.27 H new ATOM 1834 N GLN B 89 3.050 -1.784 32.520 1.00 22.02 N ATOM 1835 CA GLN B 89 3.157 -0.838 31.397 1.00 30.21 C ATOM 1836 C GLN B 89 1.878 0.053 31.306 1.00 26.70 C ATOM 1837 O GLN B 89 0.780 -0.454 31.460 1.00 23.95 O ATOM 1838 CB GLN B 89 3.391 -1.649 30.105 1.00 36.99 C ATOM 1839 CG GLN B 89 3.555 -0.834 28.841 1.00 42.97 C ATOM 1840 CD GLN B 89 3.684 -1.741 27.614 1.00 48.39 C ATOM 1841 OE1 GLN B 89 2.728 -1.972 26.903 1.00 48.88 O ATOM 1842 NE2 GLN B 89 4.863 -2.284 27.402 1.00 50.60 N ATOM 0 H GLN B 89 2.383 -2.326 32.492 1.00 22.02 H new ATOM 0 HA GLN B 89 3.905 -0.235 31.531 1.00 30.21 H new ATOM 0 HB2 GLN B 89 4.184 -2.194 30.224 1.00 36.99 H new ATOM 0 HB3 GLN B 89 2.645 -2.257 29.984 1.00 36.99 H new ATOM 0 HG2 GLN B 89 2.793 -0.244 28.732 1.00 42.97 H new ATOM 0 HG3 GLN B 89 4.342 -0.271 28.915 1.00 42.97 H new ATOM 0 HE21 GLN B 89 5.521 -2.100 27.924 1.00 50.60 H new ATOM 0 HE22 GLN B 89 4.976 -2.823 26.741 1.00 50.60 H new ATOM 1843 N PRO B 90 2.014 1.363 31.004 1.00 23.61 N ATOM 1844 CA PRO B 90 0.780 2.180 30.940 1.00 25.93 C ATOM 1845 C PRO B 90 0.136 2.320 29.530 1.00 28.76 C ATOM 1846 O PRO B 90 0.747 1.977 28.450 1.00 24.17 O ATOM 1847 CB PRO B 90 1.257 3.593 31.310 1.00 19.41 C ATOM 1848 CG PRO B 90 2.747 3.586 30.572 1.00 26.91 C ATOM 1849 CD PRO B 90 3.250 2.203 30.952 1.00 25.69 C ATOM 0 HA PRO B 90 0.114 1.762 31.508 1.00 25.93 H new ATOM 0 HB2 PRO B 90 0.673 4.286 30.963 1.00 19.41 H new ATOM 0 HB3 PRO B 90 1.317 3.726 32.269 1.00 19.41 H new ATOM 0 HG2 PRO B 90 2.682 3.702 29.611 1.00 26.91 H new ATOM 0 HG3 PRO B 90 3.325 4.291 30.904 1.00 26.91 H new ATOM 0 HD2 PRO B 90 3.881 1.864 30.298 1.00 25.69 H new ATOM 0 HD3 PRO B 90 3.706 2.215 31.808 1.00 25.69 H new ATOM 1850 N THR B 91 -1.117 2.686 29.583 1.00 24.38 N ATOM 1851 CA THR B 91 -1.781 3.216 28.350 1.00 22.61 C ATOM 1852 C THR B 91 -1.642 4.727 28.448 1.00 21.92 C ATOM 1853 O THR B 91 -2.116 5.396 29.397 1.00 23.84 O ATOM 1854 CB THR B 91 -3.298 2.852 28.323 1.00 24.90 C ATOM 1855 OG1 THR B 91 -3.447 1.445 28.235 1.00 21.88 O ATOM 1856 CG2 THR B 91 -4.019 3.605 27.074 1.00 23.43 C ATOM 0 H THR B 91 -1.614 2.650 30.284 1.00 24.38 H new ATOM 0 HA THR B 91 -1.379 2.843 27.550 1.00 22.61 H new ATOM 0 HB THR B 91 -3.725 3.150 29.141 1.00 24.90 H new ATOM 0 HG1 THR B 91 -3.249 1.190 27.460 1.00 21.88 H new ATOM 0 HG21 THR B 91 -4.962 3.377 27.059 1.00 23.43 H new ATOM 0 HG22 THR B 91 -3.920 4.565 27.174 1.00 23.43 H new ATOM 0 HG23 THR B 91 -3.606 3.323 26.243 1.00 23.43 H new ATOM 1857 N PRO B 92 -1.001 5.366 27.409 1.00 21.03 N ATOM 1858 CA PRO B 92 -0.900 6.797 27.435 1.00 25.54 C ATOM 1859 C PRO B 92 -2.392 7.332 27.381 1.00 24.80 C ATOM 1860 O PRO B 92 -3.307 6.837 26.639 1.00 26.19 O ATOM 1861 CB PRO B 92 -0.176 7.164 26.084 1.00 21.68 C ATOM 1862 CG PRO B 92 0.645 5.918 25.752 1.00 21.61 C ATOM 1863 CD PRO B 92 -0.414 4.780 26.170 1.00 27.05 C ATOM 0 HA PRO B 92 -0.433 7.158 28.205 1.00 25.54 H new ATOM 0 HB2 PRO B 92 -0.815 7.366 25.382 1.00 21.68 H new ATOM 0 HB3 PRO B 92 0.390 7.945 26.185 1.00 21.68 H new ATOM 0 HG2 PRO B 92 0.890 5.872 24.815 1.00 21.61 H new ATOM 0 HG3 PRO B 92 1.468 5.867 26.263 1.00 21.61 H new ATOM 0 HD2 PRO B 92 -1.083 4.633 25.483 1.00 27.05 H new ATOM 0 HD3 PRO B 92 0.014 3.926 26.337 1.00 27.05 H new ATOM 1864 N VAL B 93 -2.652 8.334 28.177 1.00 22.83 N ATOM 1865 CA VAL B 93 -4.007 8.910 28.178 1.00 28.12 C ATOM 1866 C VAL B 93 -3.975 10.451 27.896 1.00 26.62 C ATOM 1867 O VAL B 93 -2.956 11.126 28.132 1.00 27.06 O ATOM 1868 CB VAL B 93 -4.794 8.680 29.563 1.00 24.81 C ATOM 1869 CG1 VAL B 93 -5.101 7.222 29.820 1.00 21.81 C ATOM 1870 CG2 VAL B 93 -3.935 9.180 30.694 1.00 21.87 C ATOM 0 H VAL B 93 -2.091 8.700 28.716 1.00 22.83 H new ATOM 0 HA VAL B 93 -4.477 8.442 27.470 1.00 28.12 H new ATOM 0 HB VAL B 93 -5.635 9.160 29.503 1.00 24.81 H new ATOM 0 HG11 VAL B 93 -5.574 7.134 30.662 1.00 21.81 H new ATOM 0 HG12 VAL B 93 -5.654 6.876 29.102 1.00 21.81 H new ATOM 0 HG13 VAL B 93 -4.273 6.719 29.861 1.00 21.81 H new ATOM 0 HG21 VAL B 93 -4.398 9.047 31.536 1.00 21.87 H new ATOM 0 HG22 VAL B 93 -3.098 8.690 30.706 1.00 21.87 H new ATOM 0 HG23 VAL B 93 -3.755 10.125 30.570 1.00 21.87 H new ATOM 1871 N SER B 94 -5.134 11.020 27.490 1.00 27.03 N ATOM 1872 CA SER B 94 -5.127 12.428 27.172 1.00 23.85 C ATOM 1873 C SER B 94 -6.094 13.056 28.253 1.00 26.21 C ATOM 1874 O SER B 94 -7.198 12.672 28.304 1.00 29.90 O ATOM 1875 CB SER B 94 -5.704 12.599 25.728 1.00 26.28 C ATOM 1876 OG SER B 94 -5.736 13.990 25.519 1.00 27.72 O ATOM 0 H SER B 94 -5.888 10.616 27.402 1.00 27.03 H new ATOM 0 HA SER B 94 -4.251 12.845 27.189 1.00 23.85 H new ATOM 0 HB2 SER B 94 -5.145 12.157 25.070 1.00 26.28 H new ATOM 0 HB3 SER B 94 -6.590 12.211 25.654 1.00 26.28 H new ATOM 0 HG SER B 94 -6.525 14.267 25.598 1.00 27.72 H new ATOM 1877 N ILE B 95 -5.577 13.917 29.144 1.00 27.93 N ATOM 1878 CA ILE B 95 -6.312 14.404 30.307 1.00 27.59 C ATOM 1879 C ILE B 95 -6.549 15.834 29.939 1.00 33.38 C ATOM 1880 O ILE B 95 -5.605 16.670 29.749 1.00 24.00 O ATOM 1881 CB ILE B 95 -5.554 14.279 31.587 1.00 26.61 C ATOM 1882 CG1 ILE B 95 -5.092 12.799 31.790 1.00 25.73 C ATOM 1883 CG2 ILE B 95 -6.437 14.842 32.770 1.00 28.58 C ATOM 1884 CD1 ILE B 95 -4.287 12.521 33.174 1.00 26.86 C ATOM 0 H ILE B 95 -4.780 14.234 29.083 1.00 27.93 H new ATOM 0 HA ILE B 95 -7.119 13.894 30.482 1.00 27.59 H new ATOM 0 HB ILE B 95 -4.743 14.811 31.565 1.00 26.61 H new ATOM 0 HG12 ILE B 95 -5.872 12.223 31.763 1.00 25.73 H new ATOM 0 HG13 ILE B 95 -4.526 12.545 31.044 1.00 25.73 H new ATOM 0 HG21 ILE B 95 -5.949 14.763 33.604 1.00 28.58 H new ATOM 0 HG22 ILE B 95 -6.644 15.775 32.604 1.00 28.58 H new ATOM 0 HG23 ILE B 95 -7.261 14.334 32.829 1.00 28.58 H new ATOM 0 HD11 ILE B 95 -4.038 11.585 33.221 1.00 26.86 H new ATOM 0 HD12 ILE B 95 -3.487 13.069 33.199 1.00 26.86 H new ATOM 0 HD13 ILE B 95 -4.854 12.743 33.929 1.00 26.86 H new ATOM 1885 N GLU B 96 -7.837 16.008 29.701 1.00 32.16 N ATOM 1886 CA GLU B 96 -8.345 17.253 29.146 1.00 38.96 C ATOM 1887 C GLU B 96 -9.350 17.933 29.993 1.00 41.73 C ATOM 1888 O GLU B 96 -10.337 17.300 30.430 1.00 34.57 O ATOM 1889 CB GLU B 96 -8.983 16.933 27.813 1.00 38.26 C ATOM 1890 CG GLU B 96 -7.975 16.330 26.835 1.00 39.64 C ATOM 1891 CD GLU B 96 -8.610 15.845 25.548 1.00 42.62 C ATOM 1892 OE1 GLU B 96 -8.016 14.960 24.959 1.00 31.04 O ATOM 1893 OE2 GLU B 96 -9.715 16.281 25.120 1.00 44.57 O ATOM 0 H GLU B 96 -8.440 15.414 29.854 1.00 32.16 H new ATOM 0 HA GLU B 96 -7.593 17.861 29.074 1.00 38.96 H new ATOM 0 HB2 GLU B 96 -9.717 16.313 27.946 1.00 38.26 H new ATOM 0 HB3 GLU B 96 -9.360 17.741 27.432 1.00 38.26 H new ATOM 0 HG2 GLU B 96 -7.299 16.994 26.625 1.00 39.64 H new ATOM 0 HG3 GLU B 96 -7.520 15.588 27.264 1.00 39.64 H new ATOM 1894 N SER B 97 -9.112 19.221 30.207 1.00 44.20 N ATOM 1895 CA SER B 97 -10.054 19.986 31.006 1.00 48.90 C ATOM 1896 C SER B 97 -11.459 19.983 30.408 1.00 49.94 C ATOM 1897 O SER B 97 -11.636 20.008 29.196 1.00 44.08 O ATOM 1898 CB SER B 97 -9.546 21.418 31.240 1.00 50.45 C ATOM 1899 OG SER B 97 -9.462 22.162 30.036 1.00 53.21 O ATOM 0 H SER B 97 -8.434 19.658 29.909 1.00 44.20 H new ATOM 0 HA SER B 97 -10.118 19.546 31.868 1.00 48.90 H new ATOM 0 HB2 SER B 97 -10.139 21.873 31.858 1.00 50.45 H new ATOM 0 HB3 SER B 97 -8.672 21.385 31.659 1.00 50.45 H new ATOM 0 HG SER B 97 -9.183 22.936 30.204 1.00 53.21 H new ATOM 1900 N ALA B 98 -12.453 19.752 31.252 1.00 55.39 N ATOM 1901 CA ALA B 98 -13.843 19.814 30.797 1.00 61.30 C ATOM 1902 C ALA B 98 -14.479 21.165 31.189 1.00 67.05 C ATOM 1903 O ALA B 98 -15.529 21.188 31.838 1.00 68.70 O ATOM 1904 CB ALA B 98 -14.630 18.670 31.396 1.00 60.02 C ATOM 0 H ALA B 98 -12.352 19.559 32.084 1.00 55.39 H new ATOM 0 HA ALA B 98 -13.860 19.737 29.830 1.00 61.30 H new ATOM 0 HB1 ALA B 98 -15.550 18.715 31.092 1.00 60.02 H new ATOM 0 HB2 ALA B 98 -14.239 17.827 31.117 1.00 60.02 H new ATOM 0 HB3 ALA B 98 -14.607 18.733 32.364 1.00 60.02 H new ATOM 1905 N GLY B 99 -13.873 22.280 30.766 1.00 70.61 N ATOM 1906 CA GLY B 99 -14.375 23.592 31.137 1.00 74.97 C ATOM 1907 C GLY B 99 -14.463 23.560 32.647 1.00 77.50 C ATOM 1908 O GLY B 99 -13.449 23.366 33.327 1.00 76.97 O ATOM 0 H GLY B 99 -13.173 22.291 30.266 1.00 70.61 H new ATOM 0 HA2 GLY B 99 -13.780 24.295 30.834 1.00 74.97 H new ATOM 0 HA3 GLY B 99 -15.242 23.763 30.737 1.00 74.97 H new ATOM 1909 N ASN B 100 -15.685 23.676 33.157 1.00 78.40 N ATOM 1910 CA ASN B 100 -15.948 23.585 34.600 1.00 79.27 C ATOM 1911 C ASN B 100 -14.830 24.180 35.503 1.00 76.76 C ATOM 1912 O ASN B 100 -14.601 25.389 35.453 1.00 79.15 O ATOM 1913 CB ASN B 100 -16.266 22.117 34.965 1.00 81.29 C ATOM 1914 CG ASN B 100 -17.505 21.564 34.227 1.00 82.03 C ATOM 1915 OD1 ASN B 100 -17.380 20.362 33.629 1.00 88.16 O flip ATOM 1916 ND2 ASN B 100 -18.554 22.208 34.205 1.00 81.65 N flip ATOM 0 H ASN B 100 -16.388 23.810 32.680 1.00 78.40 H new ATOM 0 HA ASN B 100 -16.717 24.147 34.784 1.00 79.27 H new ATOM 0 HB2 ASN B 100 -15.498 21.563 34.755 1.00 81.29 H new ATOM 0 HB3 ASN B 100 -16.410 22.051 35.922 1.00 81.29 H new ATOM 0 HD21 ASN B 100 -18.598 22.972 34.597 1.00 81.65 H new ATOM 0 HD22 ASN B 100 -19.243 21.894 33.797 1.00 81.65 H new ATOM 1917 N SER B 101 -14.141 23.355 36.307 1.00 74.87 N ATOM 1918 CA SER B 101 -13.064 23.833 37.187 1.00 74.57 C ATOM 1919 C SER B 101 -12.553 22.627 37.972 1.00 72.07 C ATOM 1920 O SER B 101 -13.304 22.074 38.779 1.00 75.54 O ATOM 1921 CB SER B 101 -13.601 24.895 38.159 1.00 75.82 C ATOM 1922 OG SER B 101 -12.576 25.410 38.992 1.00 73.91 O ATOM 0 H SER B 101 -14.285 22.509 36.356 1.00 74.87 H new ATOM 0 HA SER B 101 -12.353 24.236 36.665 1.00 74.57 H new ATOM 0 HB2 SER B 101 -14.004 25.620 37.656 1.00 75.82 H new ATOM 0 HB3 SER B 101 -14.300 24.507 38.708 1.00 75.82 H new ATOM 0 HG SER B 101 -12.899 25.987 39.510 1.00 73.91 H new ATOM 1923 N GLY B 102 -11.293 22.223 37.758 1.00 68.75 N ATOM 1924 CA GLY B 102 -10.803 21.044 38.446 1.00 63.65 C ATOM 1925 C GLY B 102 -11.457 19.781 37.894 1.00 58.69 C ATOM 1926 O GLY B 102 -11.245 18.693 38.428 1.00 60.99 O ATOM 0 H GLY B 102 -10.730 22.609 37.235 1.00 68.75 H new ATOM 0 HA2 GLY B 102 -9.840 20.984 38.347 1.00 63.65 H new ATOM 0 HA3 GLY B 102 -10.986 21.119 39.396 1.00 63.65 H new ATOM 1927 N GLN B 103 -12.283 19.944 36.857 1.00 55.45 N ATOM 1928 CA GLN B 103 -12.969 18.835 36.174 1.00 50.73 C ATOM 1929 C GLN B 103 -12.199 18.488 34.877 1.00 47.73 C ATOM 1930 O GLN B 103 -11.685 19.401 34.180 1.00 46.29 O ATOM 1931 CB GLN B 103 -14.431 19.201 35.886 1.00 56.29 C ATOM 1932 CG GLN B 103 -15.154 19.824 37.098 1.00 59.89 C ATOM 1933 CD GLN B 103 -16.484 19.166 37.449 1.00 57.54 C ATOM 1934 OE1 GLN B 103 -17.254 18.780 36.573 1.00 54.05 O ATOM 1935 NE2 GLN B 103 -16.770 19.072 38.746 1.00 60.08 N ATOM 0 H GLN B 103 -12.465 20.715 36.523 1.00 55.45 H new ATOM 0 HA GLN B 103 -12.980 18.052 36.747 1.00 50.73 H new ATOM 0 HB2 GLN B 103 -14.462 19.824 35.144 1.00 56.29 H new ATOM 0 HB3 GLN B 103 -14.908 18.404 35.607 1.00 56.29 H new ATOM 0 HG2 GLN B 103 -14.568 19.775 37.870 1.00 59.89 H new ATOM 0 HG3 GLN B 103 -15.309 20.765 36.919 1.00 59.89 H new ATOM 0 HE21 GLN B 103 -16.207 19.353 39.332 1.00 60.08 H new ATOM 0 HE22 GLN B 103 -17.518 18.731 38.998 1.00 60.08 H new ATOM 1936 N PHE B 104 -12.013 17.176 34.651 1.00 41.99 N ATOM 1937 CA PHE B 104 -11.260 16.653 33.513 1.00 37.97 C ATOM 1938 C PHE B 104 -11.841 15.345 32.979 1.00 37.72 C ATOM 1939 O PHE B 104 -12.528 14.592 33.703 1.00 35.96 O ATOM 1940 CB PHE B 104 -9.815 16.380 33.942 1.00 40.05 C ATOM 1941 CG PHE B 104 -9.054 17.605 34.349 1.00 38.91 C ATOM 1942 CD1 PHE B 104 -9.082 18.058 35.679 1.00 37.34 C ATOM 1943 CD2 PHE B 104 -8.282 18.287 33.425 1.00 43.02 C ATOM 1944 CE1 PHE B 104 -8.338 19.169 36.032 1.00 37.36 C ATOM 1945 CE2 PHE B 104 -7.541 19.397 33.796 1.00 40.44 C ATOM 1946 CZ PHE B 104 -7.577 19.829 35.111 1.00 42.21 C ATOM 0 H PHE B 104 -12.328 16.563 35.165 1.00 41.99 H new ATOM 0 HA PHE B 104 -11.307 17.322 32.812 1.00 37.97 H new ATOM 0 HB2 PHE B 104 -9.821 15.754 34.683 1.00 40.05 H new ATOM 0 HB3 PHE B 104 -9.347 15.949 33.210 1.00 40.05 H new ATOM 0 HD1 PHE B 104 -9.596 17.615 36.315 1.00 37.34 H new ATOM 0 HD2 PHE B 104 -8.260 17.996 32.542 1.00 43.02 H new ATOM 0 HE1 PHE B 104 -8.356 19.471 36.911 1.00 37.36 H new ATOM 0 HE2 PHE B 104 -7.024 19.848 33.168 1.00 40.44 H new ATOM 0 HZ PHE B 104 -7.080 20.572 35.368 1.00 42.21 H new ATOM 1947 N ARG B 105 -11.639 15.096 31.680 1.00 31.65 N ATOM 1948 CA ARG B 105 -12.018 13.831 31.108 1.00 32.15 C ATOM 1949 C ARG B 105 -10.604 13.132 30.908 1.00 32.95 C ATOM 1950 O ARG B 105 -9.638 13.864 30.565 1.00 30.35 O ATOM 1951 CB ARG B 105 -12.699 14.037 29.735 1.00 37.24 C ATOM 1952 CG ARG B 105 -14.030 14.882 29.765 1.00 44.96 C ATOM 1953 CD ARG B 105 -15.108 14.462 28.691 1.00 51.32 C ATOM 1954 NE ARG B 105 -16.381 15.220 28.764 1.00 49.34 N ATOM 1955 CZ ARG B 105 -16.459 16.548 28.815 1.00 56.94 C ATOM 1956 NH1 ARG B 105 -15.343 17.282 28.762 1.00 54.16 N ATOM 1957 NH2 ARG B 105 -17.632 17.131 29.102 1.00 54.12 N ATOM 0 H ARG B 105 -11.285 15.652 31.127 1.00 31.65 H new ATOM 0 HA ARG B 105 -12.645 13.327 31.650 1.00 32.15 H new ATOM 0 HB2 ARG B 105 -12.069 14.473 29.140 1.00 37.24 H new ATOM 0 HB3 ARG B 105 -12.894 13.167 29.353 1.00 37.24 H new ATOM 0 HG2 ARG B 105 -14.425 14.807 30.648 1.00 44.96 H new ATOM 0 HG3 ARG B 105 -13.807 15.817 29.632 1.00 44.96 H new ATOM 0 HD2 ARG B 105 -14.727 14.577 27.806 1.00 51.32 H new ATOM 0 HD3 ARG B 105 -15.301 13.517 28.796 1.00 51.32 H new ATOM 0 HE ARG B 105 -17.116 14.773 28.774 1.00 49.34 H new ATOM 0 HH11 ARG B 105 -14.577 16.896 28.695 1.00 54.16 H new ATOM 0 HH12 ARG B 105 -15.391 18.140 28.795 1.00 54.16 H new ATOM 0 HH21 ARG B 105 -18.327 16.647 29.252 1.00 54.12 H new ATOM 0 HH22 ARG B 105 -17.689 17.988 29.136 1.00 54.12 H new ATOM 1958 N ILE B 106 -10.523 11.787 31.068 1.00 29.96 N ATOM 1959 CA ILE B 106 -9.271 11.034 30.909 1.00 25.76 C ATOM 1960 C ILE B 106 -9.641 10.232 29.717 1.00 29.42 C ATOM 1961 O ILE B 106 -10.310 9.245 29.806 1.00 24.86 O ATOM 1962 CB ILE B 106 -8.998 10.070 32.154 1.00 27.19 C ATOM 1963 CG1 ILE B 106 -8.914 10.989 33.426 1.00 20.27 C ATOM 1964 CG2 ILE B 106 -7.756 9.144 31.788 1.00 20.94 C ATOM 1965 CD1 ILE B 106 -9.029 10.126 34.815 1.00 28.78 C ATOM 0 H ILE B 106 -11.199 11.296 31.272 1.00 29.96 H new ATOM 0 HA ILE B 106 -8.471 11.577 30.837 1.00 25.76 H new ATOM 0 HB ILE B 106 -9.697 9.431 32.364 1.00 27.19 H new ATOM 0 HG12 ILE B 106 -8.075 11.476 33.417 1.00 20.27 H new ATOM 0 HG13 ILE B 106 -9.625 11.648 33.396 1.00 20.27 H new ATOM 0 HG21 ILE B 106 -7.568 8.547 32.529 1.00 20.94 H new ATOM 0 HG22 ILE B 106 -7.963 8.622 30.997 1.00 20.94 H new ATOM 0 HG23 ILE B 106 -6.979 9.698 31.615 1.00 20.94 H new ATOM 0 HD11 ILE B 106 -8.973 10.726 35.575 1.00 28.78 H new ATOM 0 HD12 ILE B 106 -9.878 9.657 34.836 1.00 28.78 H new ATOM 0 HD13 ILE B 106 -8.304 9.483 34.858 1.00 28.78 H new ATOM 1966 N LYS B 107 -9.086 10.646 28.589 1.00 30.43 N ATOM 1967 CA LYS B 107 -9.522 10.053 27.327 1.00 31.34 C ATOM 1968 C LYS B 107 -8.449 9.221 26.722 1.00 28.06 C ATOM 1969 O LYS B 107 -7.271 9.483 26.925 1.00 29.00 O ATOM 1970 CB LYS B 107 -9.856 11.242 26.322 1.00 30.10 C ATOM 1971 CG LYS B 107 -10.607 10.907 25.023 1.00 39.57 C ATOM 1972 CD LYS B 107 -10.814 12.231 24.179 1.00 41.04 C ATOM 1973 CE LYS B 107 -11.089 11.970 22.689 1.00 47.71 C ATOM 1974 NZ LYS B 107 -9.888 11.894 21.752 1.00 43.18 N ATOM 0 H LYS B 107 -8.475 11.248 28.527 1.00 30.43 H new ATOM 0 HA LYS B 107 -10.293 9.489 27.493 1.00 31.34 H new ATOM 0 HB2 LYS B 107 -10.380 11.900 26.805 1.00 30.10 H new ATOM 0 HB3 LYS B 107 -9.019 11.668 26.079 1.00 30.10 H new ATOM 0 HG2 LYS B 107 -10.106 10.257 24.506 1.00 39.57 H new ATOM 0 HG3 LYS B 107 -11.465 10.505 25.228 1.00 39.57 H new ATOM 0 HD2 LYS B 107 -11.554 12.733 24.554 1.00 41.04 H new ATOM 0 HD3 LYS B 107 -10.023 12.786 24.262 1.00 41.04 H new ATOM 0 HE2 LYS B 107 -11.578 11.135 22.617 1.00 47.71 H new ATOM 0 HE3 LYS B 107 -11.676 12.671 22.366 1.00 47.71 H new ATOM 0 HZ1 LYS B 107 -10.168 11.740 20.921 1.00 43.18 H new ATOM 0 HZ2 LYS B 107 -9.443 12.664 21.777 1.00 43.18 H new ATOM 0 HZ3 LYS B 107 -9.351 11.233 22.010 1.00 43.18 H new ATOM 1975 N ILE B 108 -8.861 8.348 25.831 1.00 25.86 N ATOM 1976 CA ILE B 108 -7.947 7.486 25.069 1.00 24.22 C ATOM 1977 C ILE B 108 -7.573 8.472 23.862 1.00 27.47 C ATOM 1978 O ILE B 108 -8.478 8.925 23.144 1.00 27.87 O ATOM 1979 CB ILE B 108 -8.619 6.196 24.583 1.00 26.41 C ATOM 1980 CG1 ILE B 108 -9.003 5.280 25.797 1.00 25.91 C ATOM 1981 CG2 ILE B 108 -7.585 5.369 23.523 1.00 25.05 C ATOM 1982 CD1 ILE B 108 -7.836 5.215 26.830 1.00 26.81 C ATOM 0 H ILE B 108 -9.691 8.227 25.639 1.00 25.86 H new ATOM 0 HA ILE B 108 -7.188 7.155 25.575 1.00 24.22 H new ATOM 0 HB ILE B 108 -9.433 6.430 24.111 1.00 26.41 H new ATOM 0 HG12 ILE B 108 -9.802 5.623 26.226 1.00 25.91 H new ATOM 0 HG13 ILE B 108 -9.211 4.387 25.481 1.00 25.91 H new ATOM 0 HG21 ILE B 108 -8.016 4.555 23.220 1.00 25.05 H new ATOM 0 HG22 ILE B 108 -7.386 5.933 22.759 1.00 25.05 H new ATOM 0 HG23 ILE B 108 -6.761 5.146 23.983 1.00 25.05 H new ATOM 0 HD11 ILE B 108 -8.092 4.645 27.572 1.00 26.81 H new ATOM 0 HD12 ILE B 108 -7.045 4.852 26.402 1.00 26.81 H new ATOM 0 HD13 ILE B 108 -7.645 6.107 27.159 1.00 26.81 H new ATOM 1983 N PRO B 109 -6.255 8.717 23.604 1.00 24.66 N ATOM 1984 CA PRO B 109 -5.796 9.642 22.541 1.00 26.19 C ATOM 1985 C PRO B 109 -6.422 9.311 21.202 1.00 24.21 C ATOM 1986 O PRO B 109 -6.471 8.166 20.753 1.00 24.29 O ATOM 1987 CB PRO B 109 -4.251 9.446 22.495 1.00 26.65 C ATOM 1988 CG PRO B 109 -3.922 9.175 24.087 1.00 24.18 C ATOM 1989 CD PRO B 109 -5.097 8.202 24.420 1.00 25.01 C ATOM 0 HA PRO B 109 -6.050 10.559 22.727 1.00 26.19 H new ATOM 0 HB2 PRO B 109 -3.992 8.698 21.934 1.00 26.65 H new ATOM 0 HB3 PRO B 109 -3.792 10.229 22.153 1.00 26.65 H new ATOM 0 HG2 PRO B 109 -3.051 8.771 24.226 1.00 24.18 H new ATOM 0 HG3 PRO B 109 -3.946 9.987 24.618 1.00 24.18 H new ATOM 0 HD2 PRO B 109 -4.877 7.288 24.183 1.00 25.01 H new ATOM 0 HD3 PRO B 109 -5.303 8.208 25.368 1.00 25.01 H new ATOM 1990 N ASN B 110 -7.011 10.355 20.619 1.00 30.21 N ATOM 1991 CA ASN B 110 -7.568 10.219 19.278 1.00 28.04 C ATOM 1992 C ASN B 110 -8.779 9.349 19.013 1.00 27.17 C ATOM 1993 O ASN B 110 -9.191 9.193 17.851 1.00 26.73 O ATOM 1994 CB ASN B 110 -6.370 9.832 18.274 1.00 21.56 C ATOM 1995 CG ASN B 110 -5.202 10.808 18.368 1.00 22.93 C ATOM 1996 OD1 ASN B 110 -5.387 11.997 18.624 1.00 27.22 O ATOM 1997 ND2 ASN B 110 -3.965 10.330 18.240 1.00 23.60 N ATOM 0 H ASN B 110 -7.097 11.133 20.975 1.00 30.21 H new ATOM 0 HA ASN B 110 -7.963 11.093 19.131 1.00 28.04 H new ATOM 0 HB2 ASN B 110 -6.058 8.936 18.476 1.00 21.56 H new ATOM 0 HB3 ASN B 110 -6.705 9.818 17.364 1.00 21.56 H new ATOM 0 HD21 ASN B 110 -3.290 10.854 18.336 1.00 23.60 H new ATOM 0 HD22 ASN B 110 -3.842 9.498 18.061 1.00 23.60 H new ATOM 1998 N LEU B 111 -9.326 8.732 20.047 1.00 26.84 N ATOM 1999 CA LEU B 111 -10.441 7.847 19.913 1.00 26.81 C ATOM 2000 C LEU B 111 -11.572 8.481 20.653 1.00 31.74 C ATOM 2001 O LEU B 111 -11.465 9.249 21.641 1.00 29.11 O ATOM 2002 CB LEU B 111 -10.178 6.369 20.405 1.00 28.92 C ATOM 2003 CG LEU B 111 -9.062 5.474 19.808 1.00 29.07 C ATOM 2004 CD1 LEU B 111 -9.084 3.970 20.462 1.00 28.44 C ATOM 2005 CD2 LEU B 111 -9.166 5.373 18.197 1.00 29.64 C ATOM 0 H LEU B 111 -9.048 8.824 20.856 1.00 26.84 H new ATOM 0 HA LEU B 111 -10.639 7.734 18.970 1.00 26.81 H new ATOM 0 HB2 LEU B 111 -10.010 6.421 21.359 1.00 28.92 H new ATOM 0 HB3 LEU B 111 -11.011 5.886 20.289 1.00 28.92 H new ATOM 0 HG LEU B 111 -8.219 5.899 20.032 1.00 29.07 H new ATOM 0 HD11 LEU B 111 -8.376 3.436 20.069 1.00 28.44 H new ATOM 0 HD12 LEU B 111 -8.948 4.032 21.420 1.00 28.44 H new ATOM 0 HD13 LEU B 111 -9.941 3.552 20.284 1.00 28.44 H new ATOM 0 HD21 LEU B 111 -8.454 4.807 17.861 1.00 29.64 H new ATOM 0 HD22 LEU B 111 -10.024 4.993 17.951 1.00 29.64 H new ATOM 0 HD23 LEU B 111 -9.083 6.259 17.811 1.00 29.64 H new ATOM 2006 N GLY B 112 -12.690 8.016 20.334 1.00 27.98 N ATOM 2007 CA GLY B 112 -13.822 8.673 21.045 1.00 37.22 C ATOM 2008 C GLY B 112 -14.147 7.905 22.310 1.00 34.83 C ATOM 2009 O GLY B 112 -15.374 7.623 22.481 1.00 34.93 O ATOM 0 H GLY B 112 -12.867 7.387 19.774 1.00 27.98 H new ATOM 0 HA2 GLY B 112 -13.590 9.589 21.263 1.00 37.22 H new ATOM 0 HA3 GLY B 112 -14.601 8.707 20.468 1.00 37.22 H new ATOM 2010 N LEU B 113 -13.145 7.782 23.252 1.00 36.15 N ATOM 2011 CA LEU B 113 -13.354 6.861 24.419 1.00 31.13 C ATOM 2012 C LEU B 113 -12.801 7.440 25.653 1.00 29.25 C ATOM 2013 O LEU B 113 -11.773 8.165 25.609 1.00 29.75 O ATOM 2014 CB LEU B 113 -12.781 5.427 24.163 1.00 28.52 C ATOM 2015 CG LEU B 113 -13.484 4.544 23.114 1.00 30.22 C ATOM 2016 CD1 LEU B 113 -12.618 3.383 22.690 1.00 26.15 C ATOM 2017 CD2 LEU B 113 -14.865 3.953 23.599 1.00 35.04 C ATOM 0 H LEU B 113 -12.391 8.195 23.233 1.00 36.15 H new ATOM 0 HA LEU B 113 -14.313 6.762 24.530 1.00 31.13 H new ATOM 0 HB2 LEU B 113 -11.853 5.521 23.898 1.00 28.52 H new ATOM 0 HB3 LEU B 113 -12.788 4.949 25.007 1.00 28.52 H new ATOM 0 HG LEU B 113 -13.647 5.144 22.370 1.00 30.22 H new ATOM 0 HD11 LEU B 113 -13.090 2.850 22.031 1.00 26.15 H new ATOM 0 HD12 LEU B 113 -11.794 3.718 22.303 1.00 26.15 H new ATOM 0 HD13 LEU B 113 -12.412 2.833 23.462 1.00 26.15 H new ATOM 0 HD21 LEU B 113 -15.251 3.410 22.894 1.00 35.04 H new ATOM 0 HD22 LEU B 113 -14.724 3.405 24.387 1.00 35.04 H new ATOM 0 HD23 LEU B 113 -15.470 4.680 23.815 1.00 35.04 H new ATOM 2018 N ALA B 114 -13.490 7.206 26.809 1.00 25.91 N ATOM 2019 CA ALA B 114 -12.947 7.879 27.972 1.00 23.67 C ATOM 2020 C ALA B 114 -13.234 7.052 29.223 1.00 20.74 C ATOM 2021 O ALA B 114 -14.180 6.218 29.171 1.00 24.85 O ATOM 2022 CB ALA B 114 -13.524 9.264 28.108 1.00 29.08 C ATOM 0 H ALA B 114 -14.189 6.717 26.916 1.00 25.91 H new ATOM 0 HA ALA B 114 -11.987 7.967 27.863 1.00 23.67 H new ATOM 0 HB1 ALA B 114 -13.148 9.696 28.891 1.00 29.08 H new ATOM 0 HB2 ALA B 114 -13.308 9.784 27.318 1.00 29.08 H new ATOM 0 HB3 ALA B 114 -14.488 9.205 28.203 1.00 29.08 H new ATOM 2023 N LEU B 115 -12.386 7.264 30.258 1.00 21.17 N ATOM 2024 CA LEU B 115 -12.637 6.453 31.501 1.00 25.23 C ATOM 2025 C LEU B 115 -14.031 6.865 32.108 1.00 23.85 C ATOM 2026 O LEU B 115 -14.224 8.095 32.336 1.00 30.82 O ATOM 2027 CB LEU B 115 -11.589 6.755 32.578 1.00 24.02 C ATOM 2028 CG LEU B 115 -10.438 5.699 32.450 1.00 26.19 C ATOM 2029 CD1 LEU B 115 -9.620 5.957 31.107 1.00 26.09 C ATOM 2030 CD2 LEU B 115 -9.599 5.901 33.659 1.00 27.58 C ATOM 0 H LEU B 115 -11.723 7.812 30.276 1.00 21.17 H new ATOM 0 HA LEU B 115 -12.605 5.515 31.255 1.00 25.23 H new ATOM 0 HB2 LEU B 115 -11.239 7.653 32.467 1.00 24.02 H new ATOM 0 HB3 LEU B 115 -11.989 6.714 33.461 1.00 24.02 H new ATOM 0 HG LEU B 115 -10.761 4.786 32.400 1.00 26.19 H new ATOM 0 HD11 LEU B 115 -8.908 5.302 31.030 1.00 26.09 H new ATOM 0 HD12 LEU B 115 -10.215 5.878 30.345 1.00 26.09 H new ATOM 0 HD13 LEU B 115 -9.238 6.848 31.127 1.00 26.09 H new ATOM 0 HD21 LEU B 115 -8.859 5.275 33.648 1.00 27.58 H new ATOM 0 HD22 LEU B 115 -9.255 6.808 33.666 1.00 27.58 H new ATOM 0 HD23 LEU B 115 -10.135 5.753 34.454 1.00 27.58 H new ATOM 2031 N THR B 116 -14.818 5.881 32.522 1.00 29.53 N ATOM 2032 CA THR B 116 -16.130 6.224 33.063 1.00 30.94 C ATOM 2033 C THR B 116 -16.438 5.279 34.186 1.00 34.50 C ATOM 2034 O THR B 116 -15.981 4.132 34.196 1.00 31.87 O ATOM 2035 CB THR B 116 -17.233 6.207 31.945 1.00 24.33 C ATOM 2036 OG1 THR B 116 -18.531 6.648 32.451 1.00 34.62 O ATOM 2037 CG2 THR B 116 -17.439 4.809 31.253 1.00 24.75 C ATOM 0 H THR B 116 -14.626 5.043 32.502 1.00 29.53 H new ATOM 0 HA THR B 116 -16.121 7.130 33.408 1.00 30.94 H new ATOM 0 HB THR B 116 -16.892 6.826 31.280 1.00 24.33 H new ATOM 0 HG1 THR B 116 -18.980 6.978 31.822 1.00 34.62 H new ATOM 0 HG21 THR B 116 -18.133 4.881 30.579 1.00 24.75 H new ATOM 0 HG22 THR B 116 -16.610 4.529 30.835 1.00 24.75 H new ATOM 0 HG23 THR B 116 -17.702 4.154 31.918 1.00 24.75 H new ATOM 2038 N LEU B 117 -17.205 5.797 35.142 1.00 34.31 N ATOM 2039 CA LEU B 117 -17.651 5.026 36.314 1.00 35.91 C ATOM 2040 C LEU B 117 -19.217 4.895 36.181 1.00 33.77 C ATOM 2041 O LEU B 117 -19.912 5.867 36.255 1.00 35.87 O ATOM 2042 CB LEU B 117 -17.252 5.796 37.568 1.00 29.23 C ATOM 2043 CG LEU B 117 -17.674 4.971 38.822 1.00 33.18 C ATOM 2044 CD1 LEU B 117 -17.015 3.528 38.861 1.00 29.69 C ATOM 2045 CD2 LEU B 117 -17.319 5.824 39.990 1.00 26.39 C ATOM 0 H LEU B 117 -17.486 6.610 35.134 1.00 34.31 H new ATOM 0 HA LEU B 117 -17.251 4.144 36.368 1.00 35.91 H new ATOM 0 HB2 LEU B 117 -16.295 5.952 37.576 1.00 29.23 H new ATOM 0 HB3 LEU B 117 -17.681 6.666 37.579 1.00 29.23 H new ATOM 0 HG LEU B 117 -18.624 4.773 38.817 1.00 33.18 H new ATOM 0 HD11 LEU B 117 -17.309 3.059 39.658 1.00 29.69 H new ATOM 0 HD12 LEU B 117 -17.283 3.028 38.074 1.00 29.69 H new ATOM 0 HD13 LEU B 117 -16.049 3.614 38.875 1.00 29.69 H new ATOM 0 HD21 LEU B 117 -17.558 5.365 40.811 1.00 26.39 H new ATOM 0 HD22 LEU B 117 -16.365 6.000 39.984 1.00 26.39 H new ATOM 0 HD23 LEU B 117 -17.803 6.663 39.937 1.00 26.39 H new ATOM 2046 N PRO B 118 -19.707 3.743 35.768 1.00 32.94 N ATOM 2047 CA PRO B 118 -21.122 3.439 35.570 1.00 35.10 C ATOM 2048 C PRO B 118 -22.120 3.329 36.733 1.00 39.31 C ATOM 2049 O PRO B 118 -23.306 3.366 36.383 1.00 32.60 O ATOM 2050 CB PRO B 118 -21.105 2.162 34.776 1.00 35.52 C ATOM 2051 CG PRO B 118 -19.907 1.470 35.290 1.00 38.02 C ATOM 2052 CD PRO B 118 -18.897 2.544 35.599 1.00 31.09 C ATOM 0 HA PRO B 118 -21.492 4.237 35.162 1.00 35.10 H new ATOM 0 HB2 PRO B 118 -21.910 1.640 34.918 1.00 35.52 H new ATOM 0 HB3 PRO B 118 -21.041 2.332 33.823 1.00 35.52 H new ATOM 0 HG2 PRO B 118 -20.119 0.956 36.085 1.00 38.02 H new ATOM 0 HG3 PRO B 118 -19.559 0.847 34.633 1.00 38.02 H new ATOM 0 HD2 PRO B 118 -18.393 2.339 36.402 1.00 31.09 H new ATOM 0 HD3 PRO B 118 -18.255 2.647 34.879 1.00 31.09 H new ATOM 2053 N SER B 119 -21.677 3.338 38.027 1.00 38.93 N ATOM 2054 CA SER B 119 -22.544 3.204 39.198 1.00 39.99 C ATOM 2055 C SER B 119 -21.784 3.677 40.424 1.00 43.61 C ATOM 2056 O SER B 119 -20.559 3.686 40.344 1.00 36.78 O ATOM 2057 CB SER B 119 -22.952 1.746 39.379 1.00 41.98 C ATOM 2058 OG SER B 119 -23.451 1.551 40.699 1.00 43.58 O ATOM 0 H SER B 119 -20.846 3.425 38.231 1.00 38.93 H new ATOM 0 HA SER B 119 -23.344 3.740 39.076 1.00 39.99 H new ATOM 0 HB2 SER B 119 -23.630 1.507 38.728 1.00 41.98 H new ATOM 0 HB3 SER B 119 -22.191 1.165 39.222 1.00 41.98 H new ATOM 0 HG SER B 119 -23.677 0.748 40.798 1.00 43.58 H new ATOM 2059 N ASP B 120 -22.481 4.057 41.535 1.00 39.38 N ATOM 2060 CA ASP B 120 -21.850 4.521 42.720 1.00 42.88 C ATOM 2061 C ASP B 120 -21.691 3.360 43.669 1.00 38.84 C ATOM 2062 O ASP B 120 -21.358 3.544 44.820 1.00 42.47 O ATOM 2063 CB ASP B 120 -22.717 5.582 43.377 1.00 48.80 C ATOM 2064 CG ASP B 120 -24.088 5.051 43.790 1.00 49.04 C ATOM 2065 OD1 ASP B 120 -24.605 5.611 44.757 1.00 56.47 O ATOM 2066 OD2 ASP B 120 -24.646 4.100 43.180 1.00 48.08 O ATOM 0 H ASP B 120 -23.339 4.038 41.583 1.00 39.38 H new ATOM 0 HA ASP B 120 -20.984 4.900 42.503 1.00 42.88 H new ATOM 0 HB2 ASP B 120 -22.260 5.929 44.159 1.00 48.80 H new ATOM 0 HB3 ASP B 120 -22.833 6.324 42.764 1.00 48.80 H new ATOM 2067 N ALA B 121 -22.003 2.183 43.211 1.00 34.14 N ATOM 2068 CA ALA B 121 -21.800 1.012 44.113 1.00 43.18 C ATOM 2069 C ALA B 121 -20.302 0.976 44.470 1.00 41.59 C ATOM 2070 O ALA B 121 -19.470 1.280 43.634 1.00 39.70 O ATOM 2071 CB ALA B 121 -22.214 -0.314 43.449 1.00 37.20 C ATOM 0 H ALA B 121 -22.319 2.012 42.430 1.00 34.14 H new ATOM 0 HA ALA B 121 -22.357 1.110 44.901 1.00 43.18 H new ATOM 0 HB1 ALA B 121 -22.066 -1.046 44.068 1.00 37.20 H new ATOM 0 HB2 ALA B 121 -23.154 -0.277 43.211 1.00 37.20 H new ATOM 0 HB3 ALA B 121 -21.684 -0.455 42.649 1.00 37.20 H new ATOM 2072 N ASN B 122 -19.943 0.618 45.701 1.00 42.45 N ATOM 2073 CA ASN B 122 -18.510 0.643 46.065 1.00 40.23 C ATOM 2074 C ASN B 122 -17.759 -0.377 45.205 1.00 37.18 C ATOM 2075 O ASN B 122 -18.262 -1.481 45.066 1.00 32.28 O ATOM 2076 CB ASN B 122 -18.391 0.225 47.538 1.00 45.29 C ATOM 2077 CG ASN B 122 -17.294 0.937 48.238 1.00 44.42 C ATOM 2078 OD1 ASN B 122 -16.983 2.053 47.866 1.00 34.90 O ATOM 2079 ND2 ASN B 122 -16.665 0.289 49.257 1.00 49.74 N ATOM 0 H ASN B 122 -20.481 0.366 46.323 1.00 42.45 H new ATOM 0 HA ASN B 122 -18.138 1.528 45.925 1.00 40.23 H new ATOM 0 HB2 ASN B 122 -19.230 0.402 47.991 1.00 45.29 H new ATOM 0 HB3 ASN B 122 -18.238 -0.731 47.589 1.00 45.29 H new ATOM 0 HD21 ASN B 122 -16.014 0.669 49.671 1.00 49.74 H new ATOM 0 HD22 ASN B 122 -16.919 -0.500 49.486 1.00 49.74 H new ATOM 2080 N SER B 123 -16.541 -0.077 44.695 1.00 39.16 N ATOM 2081 CA SER B 123 -15.829 -1.140 43.922 1.00 36.08 C ATOM 2082 C SER B 123 -16.350 -1.500 42.490 1.00 32.82 C ATOM 2083 O SER B 123 -16.046 -2.599 41.938 1.00 34.69 O ATOM 2084 CB SER B 123 -15.583 -2.364 44.844 1.00 34.29 C ATOM 2085 OG SER B 123 -15.006 -1.843 46.092 1.00 35.21 O ATOM 0 H SER B 123 -16.132 0.675 44.774 1.00 39.16 H new ATOM 0 HA SER B 123 -14.983 -0.740 43.666 1.00 36.08 H new ATOM 0 HB2 SER B 123 -16.412 -2.836 45.019 1.00 34.29 H new ATOM 0 HB3 SER B 123 -14.980 -2.996 44.423 1.00 34.29 H new ATOM 0 HG SER B 123 -14.859 -2.479 46.620 1.00 35.21 H new ATOM 2086 N THR B 124 -17.137 -0.573 41.905 1.00 30.62 N ATOM 2087 CA THR B 124 -17.622 -0.725 40.562 1.00 30.05 C ATOM 2088 C THR B 124 -16.343 -0.468 39.703 1.00 20.97 C ATOM 2089 O THR B 124 -15.681 0.530 39.817 1.00 24.39 O ATOM 2090 CB THR B 124 -18.697 0.346 40.235 1.00 31.55 C ATOM 2091 OG1 THR B 124 -19.930 -0.058 40.846 1.00 33.98 O ATOM 2092 CG2 THR B 124 -18.844 0.563 38.671 1.00 27.31 C ATOM 0 H THR B 124 -17.392 0.151 42.293 1.00 30.62 H new ATOM 0 HA THR B 124 -18.038 -1.587 40.405 1.00 30.05 H new ATOM 0 HB THR B 124 -18.429 1.206 40.595 1.00 31.55 H new ATOM 0 HG1 THR B 124 -20.525 0.512 40.681 1.00 33.98 H new ATOM 0 HG21 THR B 124 -19.521 1.236 38.500 1.00 27.31 H new ATOM 0 HG22 THR B 124 -17.996 0.858 38.304 1.00 27.31 H new ATOM 0 HG23 THR B 124 -19.105 -0.272 38.251 1.00 27.31 H new ATOM 2093 N PRO B 125 -16.113 -1.335 38.799 1.00 28.26 N ATOM 2094 CA PRO B 125 -14.907 -1.131 37.972 1.00 26.81 C ATOM 2095 C PRO B 125 -15.108 0.100 37.017 1.00 27.23 C ATOM 2096 O PRO B 125 -16.177 0.193 36.367 1.00 27.46 O ATOM 2097 CB PRO B 125 -14.923 -2.388 37.119 1.00 26.53 C ATOM 2098 CG PRO B 125 -15.619 -3.452 37.891 1.00 28.59 C ATOM 2099 CD PRO B 125 -16.779 -2.597 38.461 1.00 25.50 C ATOM 0 HA PRO B 125 -14.100 -0.977 38.487 1.00 26.81 H new ATOM 0 HB2 PRO B 125 -15.380 -2.223 36.279 1.00 26.53 H new ATOM 0 HB3 PRO B 125 -14.019 -2.662 36.901 1.00 26.53 H new ATOM 0 HG2 PRO B 125 -15.928 -4.182 37.332 1.00 28.59 H new ATOM 0 HG3 PRO B 125 -15.062 -3.841 38.583 1.00 28.59 H new ATOM 0 HD2 PRO B 125 -17.486 -2.468 37.809 1.00 25.50 H new ATOM 0 HD3 PRO B 125 -17.183 -3.011 39.240 1.00 25.50 H new ATOM 2100 N ILE B 126 -13.960 0.745 36.745 1.00 26.99 N ATOM 2101 CA ILE B 126 -13.911 1.924 35.818 1.00 23.09 C ATOM 2102 C ILE B 126 -13.677 1.245 34.429 1.00 28.07 C ATOM 2103 O ILE B 126 -12.754 0.435 34.324 1.00 24.73 O ATOM 2104 CB ILE B 126 -12.825 2.858 36.272 1.00 26.81 C ATOM 2105 CG1 ILE B 126 -13.366 3.723 37.416 1.00 23.30 C ATOM 2106 CG2 ILE B 126 -12.380 3.818 35.030 1.00 22.04 C ATOM 2107 CD1 ILE B 126 -12.348 4.358 38.257 1.00 25.42 C ATOM 0 H ILE B 126 -13.198 0.526 37.079 1.00 26.99 H new ATOM 0 HA ILE B 126 -14.701 2.487 35.788 1.00 23.09 H new ATOM 0 HB ILE B 126 -12.057 2.350 36.575 1.00 26.81 H new ATOM 0 HG12 ILE B 126 -13.931 4.416 37.039 1.00 23.30 H new ATOM 0 HG13 ILE B 126 -13.931 3.172 37.979 1.00 23.30 H new ATOM 0 HG21 ILE B 126 -11.679 4.421 35.322 1.00 22.04 H new ATOM 0 HG22 ILE B 126 -12.052 3.271 34.299 1.00 22.04 H new ATOM 0 HG23 ILE B 126 -13.145 4.333 34.729 1.00 22.04 H new ATOM 0 HD11 ILE B 126 -12.781 4.882 38.949 1.00 25.42 H new ATOM 0 HD12 ILE B 126 -11.795 3.675 38.667 1.00 25.42 H new ATOM 0 HD13 ILE B 126 -11.794 4.938 37.712 1.00 25.42 H new ATOM 2108 N VAL B 127 -14.363 1.708 33.339 1.00 23.93 N ATOM 2109 CA VAL B 127 -14.261 1.020 32.048 1.00 22.22 C ATOM 2110 C VAL B 127 -14.283 2.143 31.008 1.00 27.61 C ATOM 2111 O VAL B 127 -14.371 3.242 31.374 1.00 26.55 O ATOM 2112 CB VAL B 127 -15.498 0.084 31.803 1.00 24.69 C ATOM 2113 CG1 VAL B 127 -15.478 -1.125 32.796 1.00 22.47 C ATOM 2114 CG2 VAL B 127 -16.834 0.874 31.744 1.00 24.47 C ATOM 0 H VAL B 127 -14.874 2.400 33.342 1.00 23.93 H new ATOM 0 HA VAL B 127 -13.466 0.466 32.007 1.00 22.22 H new ATOM 0 HB VAL B 127 -15.428 -0.306 30.918 1.00 24.69 H new ATOM 0 HG11 VAL B 127 -16.248 -1.692 32.631 1.00 22.47 H new ATOM 0 HG12 VAL B 127 -14.665 -1.638 32.665 1.00 22.47 H new ATOM 0 HG13 VAL B 127 -15.509 -0.796 33.708 1.00 22.47 H new ATOM 0 HG21 VAL B 127 -17.568 0.258 31.592 1.00 24.47 H new ATOM 0 HG22 VAL B 127 -16.972 1.340 32.584 1.00 24.47 H new ATOM 0 HG23 VAL B 127 -16.798 1.518 31.020 1.00 24.47 H new ATOM 2115 N LEU B 128 -13.876 1.869 29.790 1.00 22.06 N ATOM 2116 CA LEU B 128 -14.029 2.900 28.750 1.00 26.12 C ATOM 2117 C LEU B 128 -15.508 3.065 28.364 1.00 26.98 C ATOM 2118 O LEU B 128 -16.238 2.129 28.263 1.00 27.18 O ATOM 2119 CB LEU B 128 -13.232 2.479 27.454 1.00 27.12 C ATOM 2120 CG LEU B 128 -11.653 2.433 27.706 1.00 24.61 C ATOM 2121 CD1 LEU B 128 -10.901 1.986 26.451 1.00 27.49 C ATOM 2122 CD2 LEU B 128 -11.090 3.731 28.311 1.00 17.85 C ATOM 0 H LEU B 128 -13.521 1.128 29.536 1.00 22.06 H new ATOM 0 HA LEU B 128 -13.686 3.735 29.105 1.00 26.12 H new ATOM 0 HB2 LEU B 128 -13.536 1.607 27.158 1.00 27.12 H new ATOM 0 HB3 LEU B 128 -13.426 3.105 26.739 1.00 27.12 H new ATOM 0 HG LEU B 128 -11.502 1.758 28.386 1.00 24.61 H new ATOM 0 HD11 LEU B 128 -9.949 1.968 26.634 1.00 27.49 H new ATOM 0 HD12 LEU B 128 -11.198 1.099 26.194 1.00 27.49 H new ATOM 0 HD13 LEU B 128 -11.079 2.608 25.728 1.00 27.49 H new ATOM 0 HD21 LEU B 128 -10.133 3.640 28.439 1.00 17.85 H new ATOM 0 HD22 LEU B 128 -11.266 4.472 27.710 1.00 17.85 H new ATOM 0 HD23 LEU B 128 -11.515 3.901 29.166 1.00 17.85 H new ATOM 2123 N GLY B 129 -15.864 4.269 27.994 1.00 31.94 N ATOM 2124 CA GLY B 129 -17.215 4.485 27.465 1.00 32.90 C ATOM 2125 C GLY B 129 -17.126 5.480 26.289 1.00 31.28 C ATOM 2126 O GLY B 129 -16.123 6.180 26.259 1.00 29.56 O ATOM 0 H GLY B 129 -15.364 4.968 28.033 1.00 31.94 H new ATOM 0 HA2 GLY B 129 -17.599 3.645 27.168 1.00 32.90 H new ATOM 0 HA3 GLY B 129 -17.797 4.834 28.158 1.00 32.90 H new ATOM 2127 N GLU B 130 -18.104 5.508 25.312 1.00 32.43 N ATOM 2128 CA GLU B 130 -18.009 6.577 24.314 1.00 35.98 C ATOM 2129 C GLU B 130 -18.020 7.986 24.960 1.00 36.56 C ATOM 2130 O GLU B 130 -18.759 8.215 25.953 1.00 41.60 O ATOM 2131 CB GLU B 130 -19.122 6.363 23.242 1.00 32.23 C ATOM 2132 CG GLU B 130 -19.201 4.892 22.785 1.00 38.40 C ATOM 2133 CD GLU B 130 -20.099 4.622 21.551 1.00 48.06 C ATOM 2134 OE1 GLU B 130 -21.145 5.301 21.474 1.00 41.27 O ATOM 2135 OE2 GLU B 130 -19.755 3.754 20.664 1.00 41.89 O ATOM 0 H GLU B 130 -18.762 4.961 25.232 1.00 32.43 H new ATOM 0 HA GLU B 130 -17.150 6.531 23.865 1.00 35.98 H new ATOM 0 HB2 GLU B 130 -19.979 6.635 23.606 1.00 32.23 H new ATOM 0 HB3 GLU B 130 -18.946 6.931 22.476 1.00 32.23 H new ATOM 0 HG2 GLU B 130 -18.303 4.583 22.586 1.00 38.40 H new ATOM 0 HG3 GLU B 130 -19.527 4.357 23.526 1.00 38.40 H new ATOM 2136 N VAL B 131 -17.155 8.911 24.460 1.00 33.18 N ATOM 2137 CA VAL B 131 -17.104 10.278 24.839 1.00 32.65 C ATOM 2138 C VAL B 131 -18.562 10.832 24.553 1.00 38.77 C ATOM 2139 O VAL B 131 -19.221 10.504 23.575 1.00 35.57 O ATOM 2140 CB VAL B 131 -15.956 11.071 24.156 1.00 39.78 C ATOM 2141 CG1 VAL B 131 -16.157 12.610 24.287 1.00 37.15 C ATOM 2142 CG2 VAL B 131 -14.623 10.821 24.885 1.00 37.10 C ATOM 0 H VAL B 131 -16.569 8.711 23.864 1.00 33.18 H new ATOM 0 HA VAL B 131 -16.876 10.387 25.775 1.00 32.65 H new ATOM 0 HB VAL B 131 -15.954 10.779 23.231 1.00 39.78 H new ATOM 0 HG11 VAL B 131 -15.424 13.071 23.850 1.00 37.15 H new ATOM 0 HG12 VAL B 131 -16.994 12.864 23.867 1.00 37.15 H new ATOM 0 HG13 VAL B 131 -16.179 12.855 25.225 1.00 37.15 H new ATOM 0 HG21 VAL B 131 -13.916 11.322 24.448 1.00 37.10 H new ATOM 0 HG22 VAL B 131 -14.700 11.109 25.808 1.00 37.10 H new ATOM 0 HG23 VAL B 131 -14.412 9.875 24.859 1.00 37.10 H new ATOM 2143 N ASP B 132 -19.064 11.514 25.553 1.00 37.56 N ATOM 2144 CA ASP B 132 -20.438 12.102 25.700 1.00 41.08 C ATOM 2145 C ASP B 132 -20.309 13.290 26.664 1.00 40.78 C ATOM 2146 O ASP B 132 -20.291 13.124 27.902 1.00 35.51 O ATOM 2147 CB ASP B 132 -21.451 11.066 26.327 1.00 39.08 C ATOM 2148 CG ASP B 132 -22.889 11.664 26.609 1.00 42.17 C ATOM 2149 OD1 ASP B 132 -23.127 12.895 26.554 1.00 41.99 O ATOM 2150 OD2 ASP B 132 -23.824 10.879 26.873 1.00 33.18 O ATOM 0 H ASP B 132 -18.585 11.677 26.248 1.00 37.56 H new ATOM 0 HA ASP B 132 -20.774 12.360 24.827 1.00 41.08 H new ATOM 0 HB2 ASP B 132 -21.538 10.308 25.727 1.00 39.08 H new ATOM 0 HB3 ASP B 132 -21.082 10.729 27.158 1.00 39.08 H new ATOM 2151 N GLU B 133 -20.228 14.472 26.067 1.00 45.45 N ATOM 2152 CA GLU B 133 -20.127 15.815 26.746 1.00 48.26 C ATOM 2153 C GLU B 133 -21.066 16.134 27.954 1.00 44.20 C ATOM 2154 O GLU B 133 -20.807 16.993 28.831 1.00 45.55 O ATOM 2155 CB GLU B 133 -20.407 16.898 25.697 1.00 53.39 C ATOM 2156 CG GLU B 133 -19.224 17.669 25.147 1.00 58.08 C ATOM 2157 CD GLU B 133 -19.553 19.150 24.943 1.00 60.70 C ATOM 2158 OE1 GLU B 133 -20.177 19.750 25.847 1.00 62.96 O ATOM 2159 OE2 GLU B 133 -19.180 19.722 23.892 1.00 62.33 O ATOM 0 H GLU B 133 -20.229 14.542 25.210 1.00 45.45 H new ATOM 0 HA GLU B 133 -19.234 15.794 27.125 1.00 48.26 H new ATOM 0 HB2 GLU B 133 -20.863 16.479 24.950 1.00 53.39 H new ATOM 0 HB3 GLU B 133 -21.025 17.537 26.085 1.00 53.39 H new ATOM 0 HG2 GLU B 133 -18.473 17.586 25.755 1.00 58.08 H new ATOM 0 HG3 GLU B 133 -18.949 17.280 24.302 1.00 58.08 H new ATOM 2160 N THR B 134 -22.196 15.462 27.950 1.00 41.16 N ATOM 2161 CA THR B 134 -23.220 15.635 28.930 1.00 40.89 C ATOM 2162 C THR B 134 -23.146 14.613 30.047 1.00 41.70 C ATOM 2163 O THR B 134 -23.888 14.743 30.987 1.00 42.39 O ATOM 2164 CB THR B 134 -24.620 15.518 28.259 1.00 40.34 C ATOM 2165 OG1 THR B 134 -24.838 14.164 27.783 1.00 36.47 O ATOM 2166 CG2 THR B 134 -24.663 16.449 27.008 1.00 35.13 C ATOM 0 H THR B 134 -22.388 14.874 27.353 1.00 41.16 H new ATOM 0 HA THR B 134 -23.085 16.515 29.315 1.00 40.89 H new ATOM 0 HB THR B 134 -25.294 15.762 28.912 1.00 40.34 H new ATOM 0 HG1 THR B 134 -24.326 14.009 27.135 1.00 36.47 H new ATOM 0 HG21 THR B 134 -25.533 16.382 26.584 1.00 35.13 H new ATOM 0 HG22 THR B 134 -24.507 17.366 27.282 1.00 35.13 H new ATOM 0 HG23 THR B 134 -23.976 16.179 26.379 1.00 35.13 H new ATOM 2167 N SER B 135 -22.226 13.656 29.963 1.00 34.52 N ATOM 2168 CA SER B 135 -22.149 12.569 31.002 1.00 34.95 C ATOM 2169 C SER B 135 -21.165 12.833 32.117 1.00 35.19 C ATOM 2170 O SER B 135 -19.940 13.072 31.899 1.00 37.62 O ATOM 2171 CB SER B 135 -21.941 11.192 30.337 1.00 35.74 C ATOM 2172 OG SER B 135 -21.655 10.129 31.273 1.00 39.88 O ATOM 0 H SER B 135 -21.640 13.599 29.336 1.00 34.52 H new ATOM 0 HA SER B 135 -23.009 12.564 31.450 1.00 34.95 H new ATOM 0 HB2 SER B 135 -22.737 10.962 29.833 1.00 35.74 H new ATOM 0 HB3 SER B 135 -21.211 11.256 29.701 1.00 35.74 H new ATOM 0 HG SER B 135 -21.039 9.646 30.969 1.00 39.88 H new ATOM 2173 N THR B 136 -21.703 12.988 33.332 1.00 31.78 N ATOM 2174 CA THR B 136 -20.853 13.243 34.493 1.00 34.10 C ATOM 2175 C THR B 136 -20.107 11.991 34.936 1.00 32.01 C ATOM 2176 O THR B 136 -19.194 12.121 35.732 1.00 32.65 O ATOM 2177 CB THR B 136 -21.718 13.714 35.705 1.00 35.54 C ATOM 2178 OG1 THR B 136 -22.747 12.746 35.871 1.00 36.79 O ATOM 2179 CG2 THR B 136 -22.277 15.137 35.411 1.00 38.36 C ATOM 0 H THR B 136 -22.545 12.949 33.501 1.00 31.78 H new ATOM 0 HA THR B 136 -20.218 13.926 34.225 1.00 34.10 H new ATOM 0 HB THR B 136 -21.206 13.780 36.526 1.00 35.54 H new ATOM 0 HG1 THR B 136 -23.236 12.964 36.518 1.00 36.79 H new ATOM 0 HG21 THR B 136 -22.815 15.435 36.161 1.00 38.36 H new ATOM 0 HG22 THR B 136 -21.540 15.753 35.278 1.00 38.36 H new ATOM 0 HG23 THR B 136 -22.825 15.111 34.611 1.00 38.36 H new ATOM 2180 N ASN B 137 -20.548 10.803 34.491 1.00 33.19 N ATOM 2181 CA ASN B 137 -19.867 9.562 34.848 1.00 36.65 C ATOM 2182 C ASN B 137 -18.430 9.540 34.290 1.00 38.74 C ATOM 2183 O ASN B 137 -17.594 8.765 34.830 1.00 31.37 O ATOM 2184 CB ASN B 137 -20.674 8.298 34.410 1.00 35.70 C ATOM 2185 CG ASN B 137 -22.086 8.245 35.030 1.00 45.48 C ATOM 2186 OD1 ASN B 137 -22.941 9.128 34.667 1.00 42.65 O ATOM 2187 ND2 ASN B 137 -22.376 7.200 35.934 1.00 35.98 N ATOM 0 H ASN B 137 -21.236 10.702 33.985 1.00 33.19 H new ATOM 0 HA ASN B 137 -19.811 9.533 35.816 1.00 36.65 H new ATOM 0 HB2 ASN B 137 -20.749 8.287 33.443 1.00 35.70 H new ATOM 0 HB3 ASN B 137 -20.183 7.501 34.666 1.00 35.70 H new ATOM 0 HD21 ASN B 137 -23.163 7.131 36.273 1.00 35.98 H new ATOM 0 HD22 ASN B 137 -21.765 6.632 36.145 1.00 35.98 H new ATOM 2188 N GLN B 138 -18.101 10.421 33.311 1.00 36.44 N ATOM 2189 CA GLN B 138 -16.748 10.375 32.736 1.00 34.79 C ATOM 2190 C GLN B 138 -16.040 11.680 33.054 1.00 35.52 C ATOM 2191 O GLN B 138 -15.018 12.049 32.387 1.00 31.32 O ATOM 2192 CB GLN B 138 -16.799 10.075 31.220 1.00 35.32 C ATOM 2193 CG GLN B 138 -17.908 10.882 30.482 1.00 34.58 C ATOM 2194 CD GLN B 138 -17.824 10.696 28.984 1.00 31.97 C ATOM 2195 OE1 GLN B 138 -17.160 11.429 28.384 1.00 36.00 O ATOM 2196 NE2 GLN B 138 -18.419 9.670 28.440 1.00 36.30 N ATOM 0 H GLN B 138 -18.624 11.021 32.986 1.00 36.44 H new ATOM 0 HA GLN B 138 -16.241 9.649 33.132 1.00 34.79 H new ATOM 0 HB2 GLN B 138 -15.938 10.281 30.825 1.00 35.32 H new ATOM 0 HB3 GLN B 138 -16.952 9.126 31.087 1.00 35.32 H new ATOM 0 HG2 GLN B 138 -18.780 10.597 30.796 1.00 34.58 H new ATOM 0 HG3 GLN B 138 -17.822 11.824 30.698 1.00 34.58 H new ATOM 0 HE21 GLN B 138 -18.904 9.149 28.922 1.00 36.30 H new ATOM 0 HE22 GLN B 138 -18.326 9.515 27.599 1.00 36.30 H new ATOM 2197 N LEU B 139 -16.547 12.396 34.086 1.00 30.44 N ATOM 2198 CA LEU B 139 -15.884 13.567 34.497 1.00 30.02 C ATOM 2199 C LEU B 139 -15.223 13.241 35.842 1.00 33.67 C ATOM 2200 O LEU B 139 -15.737 12.415 36.656 1.00 32.07 O ATOM 2201 CB LEU B 139 -16.799 14.795 34.646 1.00 37.75 C ATOM 2202 CG LEU B 139 -17.291 15.347 33.296 1.00 36.06 C ATOM 2203 CD1 LEU B 139 -18.458 16.330 33.445 1.00 40.72 C ATOM 2204 CD2 LEU B 139 -16.138 15.967 32.583 1.00 36.63 C ATOM 0 H LEU B 139 -17.258 12.196 34.527 1.00 30.44 H new ATOM 0 HA LEU B 139 -15.245 13.815 33.811 1.00 30.02 H new ATOM 0 HB2 LEU B 139 -17.565 14.557 35.191 1.00 37.75 H new ATOM 0 HB3 LEU B 139 -16.320 15.493 35.120 1.00 37.75 H new ATOM 0 HG LEU B 139 -17.641 14.610 32.772 1.00 36.06 H new ATOM 0 HD11 LEU B 139 -18.729 16.647 32.569 1.00 40.72 H new ATOM 0 HD12 LEU B 139 -19.206 15.883 33.872 1.00 40.72 H new ATOM 0 HD13 LEU B 139 -18.179 17.083 33.989 1.00 40.72 H new ATOM 0 HD21 LEU B 139 -16.436 16.319 31.730 1.00 36.63 H new ATOM 0 HD22 LEU B 139 -15.775 16.688 33.120 1.00 36.63 H new ATOM 0 HD23 LEU B 139 -15.452 15.298 32.434 1.00 36.63 H new ATOM 2205 N TRP B 140 -14.059 13.854 35.996 1.00 31.63 N ATOM 2206 CA TRP B 140 -13.145 13.666 37.178 1.00 34.06 C ATOM 2207 C TRP B 140 -12.484 14.879 37.787 1.00 35.25 C ATOM 2208 O TRP B 140 -11.945 15.784 37.089 1.00 29.74 O ATOM 2209 CB TRP B 140 -11.969 12.687 36.836 1.00 29.06 C ATOM 2210 CG TRP B 140 -12.460 11.392 36.185 1.00 28.46 C ATOM 2211 CD1 TRP B 140 -12.592 11.191 34.867 1.00 30.92 C ATOM 2212 CD2 TRP B 140 -12.884 10.149 36.826 1.00 29.37 C ATOM 2213 NE1 TRP B 140 -13.081 9.970 34.634 1.00 28.66 N ATOM 2214 CE2 TRP B 140 -13.226 9.274 35.801 1.00 33.13 C ATOM 2215 CE3 TRP B 140 -12.955 9.694 38.176 1.00 27.88 C ATOM 2216 CZ2 TRP B 140 -13.617 7.951 36.026 1.00 30.11 C ATOM 2217 CZ3 TRP B 140 -13.348 8.395 38.401 1.00 26.69 C ATOM 2218 CH2 TRP B 140 -13.667 7.527 37.316 1.00 26.97 C ATOM 0 H TRP B 140 -13.749 14.409 35.416 1.00 31.63 H new ATOM 0 HA TRP B 140 -13.779 13.334 37.833 1.00 34.06 H new ATOM 0 HB2 TRP B 140 -11.346 13.130 36.239 1.00 29.06 H new ATOM 0 HB3 TRP B 140 -11.482 12.474 37.648 1.00 29.06 H new ATOM 0 HD1 TRP B 140 -12.375 11.812 34.209 1.00 30.92 H new ATOM 0 HE1 TRP B 140 -13.278 9.663 33.855 1.00 28.66 H new ATOM 0 HE3 TRP B 140 -12.742 10.259 38.883 1.00 27.88 H new ATOM 0 HZ2 TRP B 140 -13.834 7.384 35.321 1.00 30.11 H new ATOM 0 HZ3 TRP B 140 -13.406 8.078 39.274 1.00 26.69 H new ATOM 0 HH2 TRP B 140 -13.915 6.649 37.496 1.00 26.97 H new ATOM 2219 N ALA B 141 -12.581 14.954 39.127 1.00 37.96 N ATOM 2220 CA ALA B 141 -11.884 15.975 39.866 1.00 34.89 C ATOM 2221 C ALA B 141 -10.568 15.405 40.451 1.00 35.61 C ATOM 2222 O ALA B 141 -10.440 14.302 41.040 1.00 36.61 O ATOM 2223 CB ALA B 141 -12.806 16.679 40.976 1.00 34.67 C ATOM 0 H ALA B 141 -13.048 14.417 39.609 1.00 37.96 H new ATOM 0 HA ALA B 141 -11.652 16.685 39.247 1.00 34.89 H new ATOM 0 HB1 ALA B 141 -12.291 17.356 41.443 1.00 34.67 H new ATOM 0 HB2 ALA B 141 -13.570 17.094 40.546 1.00 34.67 H new ATOM 0 HB3 ALA B 141 -13.115 16.013 41.610 1.00 34.67 H new ATOM 2224 N PHE B 142 -9.604 16.243 40.311 1.00 30.05 N ATOM 2225 CA PHE B 142 -8.204 16.015 40.652 1.00 37.82 C ATOM 2226 C PHE B 142 -7.766 16.901 41.767 1.00 41.43 C ATOM 2227 O PHE B 142 -7.728 18.140 41.673 1.00 38.72 O ATOM 2228 CB PHE B 142 -7.229 16.266 39.485 1.00 33.33 C ATOM 2229 CG PHE B 142 -7.287 15.222 38.406 1.00 32.19 C ATOM 2230 CD1 PHE B 142 -6.155 14.426 38.160 1.00 36.85 C ATOM 2231 CD2 PHE B 142 -8.381 15.050 37.621 1.00 37.78 C ATOM 2232 CE1 PHE B 142 -6.127 13.506 37.151 1.00 33.32 C ATOM 2233 CE2 PHE B 142 -8.362 14.082 36.586 1.00 36.04 C ATOM 2234 CZ PHE B 142 -7.241 13.321 36.355 1.00 36.51 C ATOM 0 H PHE B 142 -9.736 17.030 39.991 1.00 30.05 H new ATOM 0 HA PHE B 142 -8.170 15.078 40.901 1.00 37.82 H new ATOM 0 HB2 PHE B 142 -7.422 17.133 39.095 1.00 33.33 H new ATOM 0 HB3 PHE B 142 -6.325 16.308 39.834 1.00 33.33 H new ATOM 0 HD1 PHE B 142 -5.404 14.529 38.699 1.00 36.85 H new ATOM 0 HD2 PHE B 142 -9.142 15.566 37.762 1.00 37.78 H new ATOM 0 HE1 PHE B 142 -5.359 13.004 37.000 1.00 33.32 H new ATOM 0 HE2 PHE B 142 -9.117 13.960 36.057 1.00 36.04 H new ATOM 0 HZ PHE B 142 -7.232 12.690 35.672 1.00 36.51 H new ATOM 2235 N GLU B 143 -7.429 16.248 42.847 1.00 38.44 N ATOM 2236 CA GLU B 143 -6.953 16.991 44.027 1.00 43.91 C ATOM 2237 C GLU B 143 -5.530 16.596 44.396 1.00 40.41 C ATOM 2238 O GLU B 143 -5.251 15.429 44.598 1.00 39.92 O ATOM 2239 CB GLU B 143 -7.893 16.723 45.207 1.00 48.48 C ATOM 2240 CG GLU B 143 -8.019 17.840 46.215 1.00 56.64 C ATOM 2241 CD GLU B 143 -9.124 17.562 47.211 1.00 61.64 C ATOM 2242 OE1 GLU B 143 -10.297 17.906 46.931 1.00 63.70 O ATOM 2243 OE2 GLU B 143 -8.822 16.959 48.259 1.00 62.02 O ATOM 0 H GLU B 143 -7.460 15.393 42.937 1.00 38.44 H new ATOM 0 HA GLU B 143 -6.951 17.937 43.814 1.00 43.91 H new ATOM 0 HB2 GLU B 143 -8.776 16.525 44.857 1.00 48.48 H new ATOM 0 HB3 GLU B 143 -7.586 15.927 45.669 1.00 48.48 H new ATOM 0 HG2 GLU B 143 -7.178 17.950 46.685 1.00 56.64 H new ATOM 0 HG3 GLU B 143 -8.198 18.675 45.755 1.00 56.64 H new ATOM 2244 N SER B 144 -4.594 17.539 44.416 1.00 40.26 N ATOM 2245 CA SER B 144 -3.239 17.259 44.827 1.00 47.94 C ATOM 2246 C SER B 144 -3.274 16.548 46.175 1.00 50.47 C ATOM 2247 O SER B 144 -4.123 16.814 47.058 1.00 45.99 O ATOM 2248 CB SER B 144 -2.407 18.533 44.903 1.00 49.74 C ATOM 2249 OG SER B 144 -2.409 19.137 43.630 1.00 51.38 O ATOM 0 H SER B 144 -4.734 18.357 44.190 1.00 40.26 H new ATOM 0 HA SER B 144 -2.817 16.686 44.168 1.00 47.94 H new ATOM 0 HB2 SER B 144 -2.775 19.139 45.565 1.00 49.74 H new ATOM 0 HB3 SER B 144 -1.500 18.329 45.179 1.00 49.74 H new ATOM 0 HG SER B 144 -2.582 18.559 43.046 1.00 51.38 H new ATOM 2250 N VAL B 145 -2.344 15.623 46.316 1.00 51.29 N ATOM 2251 CA VAL B 145 -2.316 14.789 47.502 1.00 51.91 C ATOM 2252 C VAL B 145 -1.423 15.470 48.476 1.00 62.48 C ATOM 2253 O VAL B 145 -0.340 15.900 48.079 1.00 57.82 O ATOM 2254 CB VAL B 145 -1.686 13.397 47.208 1.00 48.54 C ATOM 2255 CG1 VAL B 145 -0.902 12.866 48.425 1.00 52.46 C ATOM 2256 CG2 VAL B 145 -2.747 12.407 46.815 1.00 45.99 C ATOM 0 H VAL B 145 -1.724 15.462 45.742 1.00 51.29 H new ATOM 0 HA VAL B 145 -3.222 14.662 47.825 1.00 51.91 H new ATOM 0 HB VAL B 145 -1.066 13.508 46.470 1.00 48.54 H new ATOM 0 HG11 VAL B 145 -0.522 11.999 48.212 1.00 52.46 H new ATOM 0 HG12 VAL B 145 -0.189 13.486 48.646 1.00 52.46 H new ATOM 0 HG13 VAL B 145 -1.501 12.779 49.183 1.00 52.46 H new ATOM 0 HG21 VAL B 145 -2.337 11.547 46.636 1.00 45.99 H new ATOM 0 HG22 VAL B 145 -3.388 12.315 47.538 1.00 45.99 H new ATOM 0 HG23 VAL B 145 -3.202 12.720 46.018 1.00 45.99 H new ATOM 2257 N SER B 146 -1.883 15.683 49.705 1.00 64.89 N ATOM 2258 CA SER B 146 -0.919 16.208 50.642 1.00 66.83 C ATOM 2259 C SER B 146 -0.591 14.977 51.483 1.00 70.94 C ATOM 2260 O SER B 146 -1.492 14.429 52.124 1.00 65.99 O ATOM 2261 CB SER B 146 -1.478 17.398 51.424 1.00 68.48 C ATOM 2262 OG SER B 146 -1.439 18.570 50.604 1.00 64.20 O ATOM 0 H SER B 146 -2.681 15.543 49.994 1.00 64.89 H new ATOM 0 HA SER B 146 -0.123 16.590 50.240 1.00 66.83 H new ATOM 0 HB2 SER B 146 -2.390 17.216 51.701 1.00 68.48 H new ATOM 0 HB3 SER B 146 -0.959 17.539 52.231 1.00 68.48 H new ATOM 0 HG SER B 146 -1.747 19.223 51.033 1.00 64.20 H new ATOM 2263 N ALA B 147 0.596 14.399 51.228 1.00 71.87 N ATOM 2264 CA ALA B 147 1.074 13.221 51.946 1.00 71.74 C ATOM 2265 C ALA B 147 2.363 12.775 51.285 0.00 23.07 C ATOM 2266 O ALA B 147 2.353 12.329 50.133 0.00 15.17 O ATOM 2267 CB ALA B 147 0.045 12.089 51.897 0.00 18.55 C ATOM 0 H ALA B 147 1.143 14.687 50.630 1.00 71.87 H new ATOM 0 HA ALA B 147 1.219 13.442 52.879 1.00 71.74 H new ATOM 0 HB1 ALA B 147 0.386 11.320 52.380 0.00 18.55 H new ATOM 0 HB2 ALA B 147 -0.783 12.386 52.306 0.00 18.55 H new ATOM 0 HB3 ALA B 147 -0.121 11.842 50.974 0.00 18.55 H new TER 2268 ALA B 147 HETATM 2269 O11 DLD A 580 13.853 31.389 -0.966 1.00 36.06 O HETATM 2270 C12 DLD A 580 13.019 32.439 -0.217 1.00 37.50 C HETATM 2271 C13 DLD A 580 12.850 33.631 -1.092 1.00 35.53 C HETATM 2272 N14 DLD A 580 11.885 33.348 -2.182 1.00 39.83 N HETATM 2273 N15 DLD A 580 11.416 32.265 -2.559 1.00 36.52 N HETATM 2274 N16 DLD A 580 10.538 32.440 -3.513 0.00 25.01 N HETATM 2275 C1A DLD A 580 15.314 25.108 0.884 1.00 19.85 C HETATM 2276 C1B DLD A 580 14.009 30.177 -0.193 1.00 28.31 C HETATM 2277 C2A DLD A 580 15.790 24.363 2.146 1.00 22.30 C HETATM 2278 N2A DLD A 580 17.112 24.825 2.631 1.00 19.16 N HETATM 2279 C2B DLD A 580 13.515 28.982 -1.050 1.00 32.68 C HETATM 2280 N2B DLD A 580 12.098 29.225 -1.515 1.00 30.50 N HETATM 2281 C3A DLD A 580 15.857 22.921 1.823 1.00 18.76 C HETATM 2282 O3A DLD A 580 16.316 22.090 2.951 1.00 21.60 O HETATM 2283 C3B DLD A 580 13.616 27.680 -0.223 1.00 26.55 C HETATM 2284 O3B DLD A 580 13.275 26.563 -1.077 1.00 29.09 O HETATM 2285 C4A DLD A 580 14.435 22.450 1.387 1.00 20.29 C HETATM 2286 O4A DLD A 580 13.496 22.781 2.438 1.00 21.42 O HETATM 2287 C4B DLD A 580 15.072 27.532 0.300 1.00 21.00 C HETATM 2288 O4B DLD A 580 15.210 26.374 1.248 1.00 20.38 O HETATM 2289 C5A DLD A 580 14.014 23.286 0.171 1.00 21.41 C HETATM 2290 O5A DLD A 580 13.990 24.671 0.580 1.00 21.51 O HETATM 2291 C5B DLD A 580 15.578 28.829 0.935 1.00 25.24 C HETATM 2292 O5B DLD A 580 15.371 29.967 0.052 1.00 24.17 O HETATM 2293 C6A DLD A 580 12.637 22.932 -0.427 1.00 19.08 C HETATM 2294 O6A DLD A 580 12.440 23.808 -1.600 1.00 25.69 O HETATM 2295 C6B DLD A 580 17.015 28.876 1.393 1.00 26.37 C HETATM 2296 O6B DLD A 580 17.845 28.673 0.322 1.00 34.03 O HETATM 2297 C7A DLD A 580 17.239 25.603 3.665 1.00 22.83 C HETATM 2298 O7A DLD A 580 16.322 26.044 4.285 1.00 24.65 O HETATM 2299 C7B DLD A 580 11.089 29.326 -0.625 1.00 37.89 C HETATM 2300 O7B DLD A 580 11.188 29.242 0.664 1.00 35.62 O HETATM 2301 C8A DLD A 580 18.633 25.918 4.079 1.00 26.88 C HETATM 2302 C8B DLD A 580 9.748 29.546 -1.239 1.00 36.37 C HETATM 0 HO6B DLD A 580 18.354 28.024 0.481 1.00 34.03 H new HETATM 0 HO6A DLD A 580 11.806 24.338 -1.451 1.00 25.69 H new HETATM 0 HO4A DLD A 580 13.200 22.074 2.782 1.00 21.42 H new HETATM 0 HO3B DLD A 580 13.267 25.856 -0.624 1.00 29.09 H new HETATM 0 HO3A DLD A 580 15.731 21.515 3.132 1.00 21.60 H new HETATM 0 HN2B DLD A 580 11.933 29.300 -2.356 1.00 30.50 H new HETATM 0 HN2A DLD A 580 17.820 24.570 2.214 1.00 19.16 H new HETATM 0 H8BB DLD A 580 9.758 30.370 -1.751 1.00 36.37 H new HETATM 0 H8BA DLD A 580 9.535 28.804 -1.826 1.00 36.37 H new HETATM 0 H8AB DLD A 580 19.098 25.097 4.303 1.00 26.88 H new HETATM 0 H8AA DLD A 580 19.095 26.362 3.351 1.00 26.88 H new HETATM 0 H6BA DLD A 580 17.205 29.734 1.804 1.00 26.37 H new HETATM 0 H6AA DLD A 580 12.605 21.998 -0.687 1.00 19.08 H new HETATM 0 H13A DLD A 580 12.538 34.383 -0.565 1.00 35.53 H new HETATM 0 H12A DLD A 580 12.153 32.072 0.022 1.00 37.50 H new HETATM 0 H8B DLD A 580 9.078 29.608 -0.540 1.00 36.37 H new HETATM 0 H8A DLD A 580 18.617 26.501 4.854 1.00 26.88 H new HETATM 0 H6B DLD A 580 17.171 28.197 2.068 1.00 26.37 H new HETATM 0 H6A DLD A 580 11.933 23.069 0.226 1.00 19.08 H new HETATM 0 H5B DLD A 580 15.040 28.868 1.741 1.00 25.24 H new HETATM 0 H5A DLD A 580 14.660 23.098 -0.528 1.00 21.41 H new HETATM 0 H4B DLD A 580 15.631 27.345 -0.470 1.00 21.00 H new HETATM 0 H4A DLD A 580 14.445 21.499 1.199 1.00 20.29 H new HETATM 0 H3B DLD A 580 13.007 27.704 0.532 1.00 26.55 H new HETATM 0 H3A DLD A 580 16.508 22.811 1.113 1.00 18.76 H new HETATM 0 H2B DLD A 580 14.074 28.892 -1.837 1.00 32.68 H new HETATM 0 H2A DLD A 580 15.158 24.543 2.860 1.00 22.30 H new HETATM 0 H1B DLD A 580 13.512 30.252 0.636 1.00 28.31 H new HETATM 0 H1A DLD A 580 15.909 24.964 0.132 1.00 19.85 H new HETATM 0 H13 DLD A 580 13.707 33.885 -1.470 1.00 35.53 H new HETATM 0 H12 DLD A 580 13.459 32.689 0.610 1.00 37.50 H new HETATM 2303 S SO4 A 355 18.587 11.242 -6.553 1.00 35.73 S HETATM 2304 O1 SO4 A 355 18.933 9.805 -6.035 1.00 34.33 O HETATM 2305 O2 SO4 A 355 17.077 11.401 -7.096 1.00 31.11 O HETATM 2306 O3 SO4 A 355 18.666 12.085 -5.447 1.00 29.02 O HETATM 2307 O4 SO4 A 355 19.482 11.466 -7.684 1.00 32.50 O HETATM 2308 O11 DLD B 581 -7.394 -7.638 53.926 1.00 43.33 O HETATM 2309 C12 DLD B 581 -7.181 -7.270 55.303 1.00 45.31 C HETATM 2310 C13 DLD B 581 -7.479 -8.512 56.154 1.00 45.43 C HETATM 2311 N14 DLD B 581 -8.948 -8.575 56.454 1.00 45.94 N HETATM 2312 N15 DLD B 581 -9.221 -7.377 57.426 1.00 46.20 N HETATM 2313 N16 DLD B 581 -9.946 -6.305 58.385 1.00 46.22 N HETATM 2314 C1A DLD B 581 -9.238 -2.850 49.695 1.00 29.46 C HETATM 2315 C1B DLD B 581 -7.332 -6.575 52.993 1.00 42.72 C HETATM 2316 C2A DLD B 581 -8.591 -1.527 49.303 1.00 33.30 C HETATM 2317 N2A DLD B 581 -7.865 -0.791 50.397 1.00 32.29 N HETATM 2318 C2B DLD B 581 -7.566 -7.138 51.587 1.00 40.67 C HETATM 2319 N2B DLD B 581 -6.409 -7.959 51.226 1.00 42.17 N HETATM 2320 C3A DLD B 581 -9.668 -0.582 48.785 1.00 28.27 C HETATM 2321 O3A DLD B 581 -9.031 0.641 48.455 1.00 24.70 O HETATM 2322 C3B DLD B 581 -7.658 -5.999 50.547 1.00 41.03 C HETATM 2323 O3B DLD B 581 -8.145 -6.488 49.289 1.00 39.38 O HETATM 2324 C4A DLD B 581 -10.290 -1.222 47.562 1.00 31.46 C HETATM 2325 O4A DLD B 581 -9.266 -1.388 46.554 1.00 23.78 O HETATM 2326 C4B DLD B 581 -8.579 -4.870 50.993 1.00 35.14 C HETATM 2327 O4B DLD B 581 -8.241 -3.686 50.194 1.00 34.70 O HETATM 2328 C5A DLD B 581 -10.899 -2.552 47.999 1.00 32.07 C HETATM 2329 O5A DLD B 581 -9.884 -3.425 48.547 1.00 32.92 O HETATM 2330 C5B DLD B 581 -8.413 -4.508 52.472 1.00 41.20 C HETATM 2331 O5B DLD B 581 -8.351 -5.667 53.339 1.00 40.13 O HETATM 2332 C6A DLD B 581 -11.704 -3.270 46.909 1.00 31.42 C HETATM 2333 O6A DLD B 581 -12.015 -4.638 47.203 1.00 34.89 O HETATM 2334 C6B DLD B 581 -9.577 -3.683 52.980 1.00 39.79 C HETATM 2335 O6B DLD B 581 -9.206 -3.019 54.157 1.00 42.33 O HETATM 2336 C7A DLD B 581 -6.544 -0.891 50.547 1.00 30.85 C HETATM 2337 O7A DLD B 581 -5.753 -1.636 49.782 1.00 29.29 O HETATM 2338 C7B DLD B 581 -6.398 -9.365 51.299 1.00 44.67 C HETATM 2339 O7B DLD B 581 -5.427 -10.114 51.004 1.00 48.65 O HETATM 2340 C8A DLD B 581 -5.973 -0.097 51.649 1.00 32.74 C HETATM 2341 C8B DLD B 581 -7.567 -10.102 51.747 1.00 41.49 C HETATM 0 HO6B DLD B 581 -9.852 -2.561 54.436 1.00 42.33 H new HETATM 0 HO6A DLD B 581 -12.235 -5.034 46.495 1.00 34.89 H new HETATM 0 HO4A DLD B 581 -8.957 -0.636 46.342 1.00 23.78 H new HETATM 0 HO3B DLD B 581 -8.318 -5.839 48.784 1.00 39.38 H new HETATM 0 HO3A DLD B 581 -9.570 1.135 48.040 1.00 24.70 H new HETATM 0 HN2B DLD B 581 -5.697 -7.561 50.954 1.00 42.17 H new HETATM 0 HN2A DLD B 581 -8.313 -0.294 50.938 1.00 32.29 H new HETATM 0 H8BB DLD B 581 -7.793 -9.832 52.651 1.00 41.49 H new HETATM 0 H8BA DLD B 581 -8.314 -9.914 51.157 1.00 41.49 H new HETATM 0 H8AB DLD B 581 -6.163 0.843 51.503 1.00 32.74 H new HETATM 0 H8AA DLD B 581 -6.367 -0.379 52.489 1.00 32.74 H new HETATM 0 H6BA DLD B 581 -9.847 -3.039 52.306 1.00 39.79 H new HETATM 0 H6AA DLD B 581 -12.532 -2.786 46.763 1.00 31.42 H new HETATM 0 H13A DLD B 581 -7.201 -9.313 55.683 1.00 45.43 H new HETATM 0 H12A DLD B 581 -6.268 -6.971 55.441 1.00 45.31 H new HETATM 0 H8B DLD B 581 -7.376 -11.053 51.732 1.00 41.49 H new HETATM 0 H8A DLD B 581 -5.013 -0.232 51.681 1.00 32.74 H new HETATM 0 H6B DLD B 581 -10.342 -4.255 53.148 1.00 39.79 H new HETATM 0 H6A DLD B 581 -11.205 -3.235 46.078 1.00 31.42 H new HETATM 0 H5B DLD B 581 -7.578 -4.016 52.504 1.00 41.20 H new HETATM 0 H5A DLD B 581 -11.542 -2.328 48.690 1.00 32.07 H new HETATM 0 H4B DLD B 581 -9.495 -5.163 50.868 1.00 35.14 H new HETATM 0 H4A DLD B 581 -10.991 -0.674 47.175 1.00 31.46 H new HETATM 0 H3B DLD B 581 -6.756 -5.655 50.456 1.00 41.03 H new HETATM 0 H3A DLD B 581 -10.364 -0.414 49.439 1.00 28.27 H new HETATM 0 H2B DLD B 581 -8.392 -7.646 51.589 1.00 40.67 H new HETATM 0 H2A DLD B 581 -7.925 -1.774 48.642 1.00 33.30 H new HETATM 0 H1B DLD B 581 -6.469 -6.131 53.005 1.00 42.72 H new HETATM 0 H1A DLD B 581 -9.914 -2.721 50.378 1.00 29.46 H new HETATM 0 H13 DLD B 581 -6.972 -8.479 56.980 1.00 45.43 H new HETATM 0 H12 DLD B 581 -7.761 -6.535 55.555 1.00 45.31 H new HETATM 2342 S SO4 B 356 -20.193 5.079 51.060 1.00 46.90 S HETATM 2343 O1 SO4 B 356 -18.786 4.932 50.730 1.00 47.92 O HETATM 2344 O2 SO4 B 356 -20.058 5.080 52.578 1.00 44.02 O HETATM 2345 O3 SO4 B 356 -20.418 6.509 50.532 1.00 51.66 O HETATM 2346 O4 SO4 B 356 -20.901 4.184 50.408 1.00 44.45 O HETATM 2347 O HOH A 0 19.323 9.948 -9.944 1.00 25.02 O HETATM 2348 O HOH A 149 11.649 10.749 28.381 1.00 43.99 O HETATM 2349 O HOH A 150 8.977 13.731 28.295 1.00 31.39 O HETATM 2350 O HOH A 151 11.077 4.716 28.751 1.00 32.38 O HETATM 2351 O HOH A 152 15.966 11.808 -9.679 1.00 41.69 O HETATM 2352 O HOH A 153 13.771 14.723 -7.759 1.00 25.35 O HETATM 2353 O HOH A 154 10.297 17.525 -7.589 1.00 35.52 O HETATM 2354 O HOH A 155 16.515 8.262 -6.291 1.00 44.63 O HETATM 2355 O HOH A 156 -6.786 20.677 6.697 1.00 23.73 O HETATM 2356 O HOH A 157 5.953 14.273 -5.740 1.00 31.85 O HETATM 2357 O HOH A 158 9.845 30.697 -5.432 1.00 37.74 O HETATM 2358 O HOH A 159 12.437 21.257 -4.738 1.00 30.62 O HETATM 2359 O HOH A 160 -9.107 11.283 4.395 1.00 23.88 O HETATM 2360 O HOH A 161 12.567 2.107 -3.177 1.00 45.58 O HETATM 2361 O HOH A 162 2.669 6.665 -3.944 1.00 49.78 O HETATM 2362 O HOH A 163 15.007 22.191 -3.318 1.00 23.55 O HETATM 2363 O HOH A 164 14.476 26.101 -3.556 1.00 25.01 O HETATM 2364 O HOH A 165 16.911 4.382 -1.950 1.00 29.26 O HETATM 2365 O HOH A 166 5.861 7.991 31.992 1.00 25.55 O HETATM 2366 O HOH A 167 10.881 12.536 -2.008 1.00 20.64 O HETATM 2367 O HOH A 168 6.582 20.622 -1.909 1.00 20.17 O HETATM 2368 O HOH A 169 30.609 17.486 1.900 1.00 29.35 O HETATM 2369 O HOH A 170 11.687 -0.321 -1.096 1.00 40.87 O HETATM 2370 O HOH A 171 2.826 14.457 -1.176 1.00 19.82 O HETATM 2371 O HOH A 172 16.999 31.654 -1.128 1.00 33.92 O HETATM 2372 O HOH A 173 7.168 -0.807 -0.730 1.00 45.10 O HETATM 2373 O HOH A 174 6.313 1.993 -0.708 1.00 39.99 O HETATM 2374 O HOH A 175 18.668 26.544 -0.403 1.00 27.25 O HETATM 2375 O HOH A 176 0.898 -0.746 -0.060 1.00 37.93 O HETATM 2376 O HOH A 177 2.803 7.281 0.211 1.00 40.93 O HETATM 2377 O HOH A 178 7.551 22.506 0.048 1.00 19.14 O HETATM 2378 O HOH A 179 20.180 12.933 0.239 1.00 23.20 O HETATM 2379 O HOH A 180 22.004 23.533 0.725 1.00 16.99 O HETATM 2380 O HOH A 181 19.245 24.047 0.780 1.00 22.71 O HETATM 2381 O HOH A 182 8.159 -4.443 2.177 1.00 48.56 O HETATM 2382 O HOH A 183 -1.202 8.791 1.893 1.00 34.20 O HETATM 2383 O HOH A 184 20.242 29.702 1.405 1.00 37.52 O HETATM 2384 O HOH A 185 21.032 9.351 2.609 1.00 42.61 O HETATM 2385 O HOH A 186 -4.118 16.706 2.216 1.00 29.37 O HETATM 2386 O HOH A 187 16.172 1.047 2.754 1.00 25.88 O HETATM 2387 O HOH A 188 -1.109 1.812 2.949 1.00 41.08 O HETATM 2388 O HOH A 189 2.635 4.040 2.989 1.00 27.05 O HETATM 2389 O HOH A 190 5.538 25.271 2.837 1.00 18.66 O HETATM 2390 O HOH A 191 9.561 28.455 2.939 1.00 32.42 O HETATM 2391 O HOH A 192 13.373 30.225 3.027 1.00 37.75 O HETATM 2392 O HOH A 193 15.628 -1.436 3.825 1.00 44.59 O HETATM 2393 O HOH A 194 11.992 -2.647 4.875 1.00 44.01 O HETATM 2394 O HOH A 195 16.821 5.244 4.954 1.00 31.29 O HETATM 2395 O HOH A 196 -8.261 5.519 4.678 1.00 42.60 O HETATM 2396 O HOH A 197 12.457 24.576 -4.465 1.00 30.13 O HETATM 2397 O HOH A 198 17.236 21.540 -4.827 1.00 28.27 O HETATM 2398 O HOH A 199 0.308 23.827 4.596 1.00 31.31 O HETATM 2399 O HOH A 200 16.932 29.028 4.646 1.00 37.14 O HETATM 2400 O HOH A 201 24.329 28.457 4.957 1.00 42.97 O HETATM 2401 O HOH A 202 26.444 12.946 5.348 1.00 45.64 O HETATM 2402 O HOH A 203 4.737 -0.844 5.711 1.00 29.23 O HETATM 2403 O HOH A 204 31.226 18.524 5.888 1.00 22.16 O HETATM 2404 O HOH A 205 -8.925 2.252 7.385 1.00 46.40 O HETATM 2405 O HOH A 206 2.454 28.479 5.731 1.00 26.02 O HETATM 2406 O HOH A 207 -10.812 15.804 7.042 1.00 22.33 O HETATM 2407 O HOH A 208 26.484 11.156 10.068 1.00 67.43 O HETATM 2408 O HOH A 209 -5.059 18.710 7.185 1.00 25.20 O HETATM 2409 O HOH A 210 8.711 33.161 7.312 1.00 18.82 O HETATM 2410 O HOH A 211 2.748 17.879 3.833 1.00 18.57 O HETATM 2411 O HOH A 212 -8.691 8.356 7.808 1.00 26.27 O HETATM 2412 O HOH A 213 0.813 18.162 1.833 1.00 23.26 O HETATM 2413 O HOH A 214 18.787 22.461 -1.148 1.00 26.47 O HETATM 2414 O HOH A 215 5.802 24.514 0.134 1.00 24.70 O HETATM 2415 O HOH A 216 -9.097 14.411 13.388 1.00 23.04 O HETATM 2416 O HOH A 217 8.790 -4.323 8.698 1.00 49.62 O HETATM 2417 O HOH A 218 10.082 26.113 -1.607 1.00 28.68 O HETATM 2418 O HOH A 219 -2.274 28.877 12.157 1.00 26.60 O HETATM 2419 O HOH A 220 20.979 9.818 7.640 1.00 38.06 O HETATM 2420 O HOH A 221 23.010 12.277 7.470 1.00 46.04 O HETATM 2421 O HOH A 222 -10.426 14.008 4.205 1.00 32.69 O HETATM 2422 O HOH A 223 -8.494 5.441 8.816 1.00 48.87 O HETATM 2423 O HOH A 224 -4.120 0.497 8.960 1.00 45.96 O HETATM 2424 O HOH A 225 2.936 3.753 24.002 1.00 33.71 O HETATM 2425 O HOH A 226 7.432 27.453 1.999 1.00 34.36 O HETATM 2426 O HOH A 227 0.258 13.166 -1.435 1.00 34.25 O HETATM 2427 O HOH A 228 -3.400 5.241 2.842 1.00 32.98 O HETATM 2428 O HOH A 229 12.479 29.064 16.110 1.00 43.21 O HETATM 2429 O HOH A 230 5.682 6.004 9.101 1.00 21.17 O HETATM 2430 O HOH A 231 -1.838 11.545 20.844 1.00 30.27 O HETATM 2431 O HOH A 232 18.861 8.506 8.889 1.00 27.28 O HETATM 2432 O HOH A 233 17.451 2.594 4.961 1.00 38.83 O HETATM 2433 O HOH A 234 7.287 32.282 2.081 1.00 37.98 O HETATM 2434 O HOH A 235 29.893 13.572 6.117 1.00 35.40 O HETATM 2435 O HOH A 236 24.353 12.402 0.691 1.00 38.01 O HETATM 2436 O HOH A 237 15.801 14.593 8.762 1.00 19.06 O HETATM 2437 O HOH A 238 2.310 -2.832 9.909 1.00 41.23 O HETATM 2438 O HOH A 239 22.083 15.599 -1.645 1.00 37.24 O HETATM 2439 O HOH A 240 11.986 3.591 26.713 1.00 41.63 O HETATM 2440 O HOH A 241 17.649 25.719 9.134 1.00 24.00 O HETATM 2441 O HOH A 242 -10.963 17.890 12.202 1.00 34.72 O HETATM 2442 O HOH A 243 -8.672 8.636 10.758 1.00 29.25 O HETATM 2443 O HOH A 244 -10.172 19.614 10.481 1.00 45.65 O HETATM 2444 O HOH A 245 6.550 -4.403 10.589 1.00 49.44 O HETATM 2445 O HOH A 246 10.949 15.984 -9.667 1.00 47.82 O HETATM 2446 O HOH A 247 9.386 9.836 -8.773 1.00 58.87 O HETATM 2447 O HOH A 248 5.865 13.372 -8.218 1.00 39.65 O HETATM 2448 O HOH A 249 10.896 19.832 -8.281 1.00 48.92 O HETATM 2449 O HOH A 250 8.577 7.789 -6.935 1.00 43.55 O HETATM 2450 O HOH A 251 25.402 19.289 9.492 1.00 25.44 O HETATM 2451 O HOH A 252 5.182 28.583 5.019 1.00 28.62 O HETATM 2452 O HOH A 253 21.212 28.341 3.940 1.00 53.89 O HETATM 2453 O HOH A 254 -6.598 3.120 10.094 1.00 49.94 O HETATM 2454 O HOH A 255 16.105 31.533 3.683 1.00 62.95 O HETATM 2455 O HOH A 256 2.968 25.946 3.343 1.00 40.33 O HETATM 2456 O HOH A 257 -4.258 25.969 10.066 1.00 35.29 O HETATM 2457 O HOH A 258 7.359 26.019 10.583 1.00 16.62 O HETATM 2458 O HOH A 259 14.292 31.199 11.350 1.00 50.67 O HETATM 2459 O HOH A 260 -10.478 15.787 11.186 1.00 31.96 O HETATM 2460 O HOH A 261 8.025 1.830 -2.594 1.00 48.76 O HETATM 2461 O HOH A 262 23.485 22.316 10.997 1.00 38.59 O HETATM 2462 O HOH A 263 3.737 1.845 -1.687 1.00 41.57 O HETATM 2463 O HOH A 264 23.917 11.407 -1.780 1.00 51.30 O HETATM 2464 O HOH A 265 22.010 11.769 2.145 1.00 43.94 O HETATM 2465 O HOH A 266 -1.411 6.015 1.656 1.00 36.19 O HETATM 2466 O HOH A 267 3.263 -0.399 -1.255 1.00 45.88 O HETATM 2467 O HOH A 268 7.074 26.830 -0.848 1.00 37.82 O HETATM 2468 O HOH A 269 20.979 25.442 10.606 1.00 31.78 O HETATM 2469 O HOH A 270 0.502 8.689 0.002 1.00 48.52 O HETATM 2470 O HOH A 271 23.077 8.036 -1.187 1.00 54.36 O HETATM 2471 O HOH A 272 19.710 4.217 11.275 1.00 61.99 O HETATM 2472 O HOH A 273 -7.983 6.138 11.285 1.00 30.08 O HETATM 2473 O HOH A 274 13.326 -2.308 2.508 1.00 48.49 O HETATM 2474 O HOH A 275 -0.208 4.157 3.266 1.00 43.34 O HETATM 2475 O HOH A 276 20.863 4.748 4.207 1.00 58.18 O HETATM 2476 O HOH A 277 21.836 8.494 5.520 1.00 52.91 O HETATM 2477 O HOH A 278 22.305 11.992 4.826 1.00 47.03 O HETATM 2478 O HOH A 279 26.955 6.682 10.733 1.00 59.09 O HETATM 2479 O HOH A 280 17.150 1.037 7.312 1.00 50.19 O HETATM 2480 O HOH A 281 13.578 31.445 7.653 1.00 49.95 O HETATM 2481 O HOH A 282 23.857 12.371 11.179 1.00 39.94 O HETATM 2482 O HOH A 283 -1.969 23.322 11.469 1.00 22.47 O HETATM 2483 O HOH A 284 17.592 29.682 9.524 1.00 54.36 O HETATM 2484 O HOH A 285 -7.167 24.765 12.192 1.00 41.65 O HETATM 2485 O HOH A 286 2.752 -1.582 12.469 1.00 32.59 O HETATM 2486 O HOH A 287 -0.279 -3.558 10.492 1.00 49.66 O HETATM 2487 O HOH A 288 -3.162 -0.618 11.728 1.00 43.69 O HETATM 2488 O HOH A 289 5.918 -0.148 13.117 1.00 30.92 O HETATM 2489 O HOH A 290 26.495 11.327 13.558 1.00 52.54 O HETATM 2490 O HOH A 291 29.574 13.363 11.448 1.00 29.37 O HETATM 2491 O HOH A 292 26.355 19.111 11.957 1.00 40.63 O HETATM 2492 O HOH A 293 -0.900 0.719 13.247 1.00 34.77 O HETATM 2493 O HOH A 294 -9.488 10.897 13.404 1.00 44.15 O HETATM 2494 O HOH A 295 24.607 20.714 13.171 1.00 51.42 O HETATM 2495 O HOH A 296 21.008 24.677 13.432 1.00 46.73 O HETATM 2496 O HOH A 297 26.659 15.026 12.465 1.00 50.27 O HETATM 2497 O HOH A 298 6.639 -4.280 13.746 1.00 50.94 O HETATM 2498 O HOH A 299 26.700 17.297 13.379 1.00 48.55 O HETATM 2499 O HOH A 300 14.704 30.077 14.419 1.00 56.90 O HETATM 2500 O HOH A 301 -8.553 3.440 14.969 1.00 38.66 O HETATM 2501 O HOH A 302 17.829 3.934 15.636 1.00 49.12 O HETATM 2502 O HOH A 303 -2.530 1.950 16.183 1.00 59.87 O HETATM 2503 O HOH A 304 4.995 29.024 14.052 1.00 32.53 O HETATM 2504 O HOH A 305 20.885 25.432 16.870 1.00 56.61 O HETATM 2505 O HOH A 306 13.556 -0.617 14.628 1.00 39.02 O HETATM 2506 O HOH A 307 7.790 27.514 14.665 1.00 37.09 O HETATM 2507 O HOH A 308 20.893 20.794 18.692 1.00 44.93 O HETATM 2508 O HOH A 309 6.944 -0.424 19.483 1.00 47.17 O HETATM 2509 O HOH A 310 13.830 0.316 19.226 1.00 54.02 O HETATM 2510 O HOH A 311 -1.466 4.094 14.830 1.00 39.02 O HETATM 2511 O HOH A 312 21.765 5.271 13.059 1.00 56.21 O HETATM 2512 O HOH A 313 -2.665 16.829 15.732 1.00 23.59 O HETATM 2513 O HOH A 314 18.989 21.934 19.619 1.00 46.22 O HETATM 2514 O HOH A 315 -7.326 15.981 16.449 1.00 35.61 O HETATM 2515 O HOH A 316 22.050 19.589 16.302 1.00 35.75 O HETATM 2516 O HOH A 317 1.428 1.245 20.721 1.00 47.01 O HETATM 2517 O HOH A 318 -7.307 22.129 15.604 1.00 49.93 O HETATM 2518 O HOH A 319 -0.749 4.782 21.251 1.00 45.55 O HETATM 2519 O HOH A 320 -1.921 28.008 21.681 1.00 57.14 O HETATM 2520 O HOH A 321 5.553 15.949 17.065 1.00 19.13 O HETATM 2521 O HOH A 322 -2.027 26.301 17.021 1.00 55.44 O HETATM 2522 O HOH A 323 7.164 -2.264 17.329 1.00 36.91 O HETATM 2523 O HOH A 324 4.678 -0.188 23.412 1.00 45.09 O HETATM 2524 O HOH A 325 13.872 19.424 23.150 1.00 28.22 O HETATM 2525 O HOH A 326 -6.963 1.949 18.374 1.00 35.98 O HETATM 2526 O HOH A 327 2.694 23.959 25.081 1.00 47.69 O HETATM 2527 O HOH A 328 6.843 1.178 25.582 1.00 50.96 O HETATM 2528 O HOH A 329 -0.742 3.581 18.452 1.00 33.90 O HETATM 2529 O HOH A 330 17.394 6.550 27.096 1.00 54.06 O HETATM 2530 O HOH A 331 -1.625 12.140 18.270 1.00 25.80 O HETATM 2531 O HOH A 332 11.094 18.090 27.465 1.00 39.91 O HETATM 2532 O HOH A 333 -1.828 19.501 18.305 1.00 36.19 O HETATM 2533 O HOH A 334 12.820 8.651 27.919 1.00 55.03 O HETATM 2534 O HOH A 335 14.339 22.639 18.739 1.00 35.99 O HETATM 2535 O HOH A 336 8.086 26.599 18.317 1.00 45.49 O HETATM 2536 O HOH A 337 10.703 16.016 28.956 1.00 39.83 O HETATM 2537 O HOH A 338 9.635 0.260 19.145 1.00 44.10 O HETATM 2538 O HOH A 339 12.003 12.187 30.867 1.00 40.46 O HETATM 2539 O HOH A 340 10.473 3.335 19.424 1.00 33.68 O HETATM 2540 O HOH A 341 -3.458 1.479 19.491 1.00 47.88 O HETATM 2541 O HOH A 342 21.118 12.739 19.841 1.00 45.98 O HETATM 2542 O HOH A 343 16.322 20.589 19.628 1.00 45.15 O HETATM 2543 O HOH A 344 -4.434 20.798 19.436 1.00 54.42 O HETATM 2544 O HOH A 345 10.247 17.379 20.476 1.00 19.75 O HETATM 2545 O HOH A 346 6.521 26.381 20.412 1.00 34.47 O HETATM 2546 O HOH A 347 3.941 0.950 21.058 1.00 43.61 O HETATM 2547 O HOH A 348 1.494 3.660 21.127 1.00 45.77 O HETATM 2548 O HOH A 349 19.132 16.228 21.513 1.00 48.57 O HETATM 2549 O HOH A 350 0.185 18.995 21.358 1.00 28.82 O HETATM 2550 O HOH A 351 11.354 19.386 21.803 1.00 28.73 O HETATM 2551 O HOH A 352 3.776 23.940 22.039 1.00 35.17 O HETATM 2552 O HOH A 353 -2.311 3.438 22.857 1.00 36.78 O HETATM 2553 O HOH A 354 9.391 20.008 23.584 1.00 30.53 O HETATM 2554 O HOH A 356 15.247 14.903 23.750 1.00 28.00 O HETATM 2555 O HOH A 357 17.075 3.772 12.509 1.00 30.91 O HETATM 2556 O HOH A 358 7.723 17.470 24.148 1.00 28.51 O HETATM 2557 O HOH A 359 1.852 33.037 18.684 1.00 49.80 O HETATM 2558 O HOH A 360 7.006 11.268 -9.000 1.00 69.95 O HETATM 2559 O HOH A 361 13.913 5.267 24.867 1.00 39.63 O HETATM 2560 O HOH A 362 12.647 12.552 26.451 1.00 27.32 O HETATM 2561 O HOH A 363 15.591 6.070 -4.120 1.00 31.78 O HETATM 2562 O HOH B 149 -0.333 -4.315 48.416 1.00 45.57 O HETATM 2563 O HOH B 150 -10.021 -6.317 47.593 1.00 40.78 O HETATM 2564 O HOH B 151 -8.820 11.348 15.981 1.00 34.71 O HETATM 2565 O HOH B 152 -25.680 11.374 28.863 1.00 43.00 O HETATM 2566 O HOH B 153 4.047 21.539 28.563 1.00 35.82 O HETATM 2567 O HOH B 154 -3.110 -5.999 30.086 1.00 36.62 O HETATM 2568 O HOH B 155 -17.805 -3.063 30.187 1.00 41.19 O HETATM 2569 O HOH B 156 -18.638 14.250 29.940 1.00 32.20 O HETATM 2570 O HOH B 157 7.683 13.415 30.381 1.00 32.38 O HETATM 2571 O HOH B 158 -11.813 -7.427 30.879 1.00 42.31 O HETATM 2572 O HOH B 159 -14.797 -4.520 31.317 1.00 31.97 O HETATM 2573 O HOH B 160 6.627 0.118 31.580 1.00 28.73 O HETATM 2574 O HOH B 161 -19.745 8.225 30.767 1.00 33.52 O HETATM 2575 O HOH B 162 -5.252 18.774 31.102 1.00 42.61 O HETATM 2576 O HOH B 163 -12.997 10.407 31.559 1.00 27.60 O HETATM 2577 O HOH B 164 6.872 17.002 31.690 1.00 42.43 O HETATM 2578 O HOH B 165 -1.341 5.557 32.159 1.00 21.40 O HETATM 2579 O HOH B 166 -13.325 7.348 17.697 1.00 48.51 O HETATM 2580 O HOH B 167 -20.500 5.049 32.588 1.00 48.47 O HETATM 2581 O HOH B 168 1.264 21.001 32.538 1.00 40.60 O HETATM 2582 O HOH B 169 -24.790 12.280 33.590 1.00 46.15 O HETATM 2583 O HOH B 170 5.944 15.213 33.762 1.00 26.21 O HETATM 2584 O HOH B 171 6.575 6.823 34.417 1.00 30.21 O HETATM 2585 O HOH B 172 -10.477 21.903 34.395 1.00 48.35 O HETATM 2586 O HOH B 173 -12.074 -2.356 35.172 1.00 27.33 O HETATM 2587 O HOH B 174 -18.161 -1.521 35.454 1.00 30.72 O HETATM 2588 O HOH B 175 7.104 -0.578 35.076 1.00 51.48 O HETATM 2589 O HOH B 176 2.819 8.094 35.472 1.00 21.74 O HETATM 2590 O HOH B 177 -24.991 10.413 35.527 1.00 49.68 O HETATM 2591 O HOH B 178 5.312 7.463 36.772 1.00 25.15 O HETATM 2592 O HOH B 179 -2.945 22.144 37.037 1.00 48.30 O HETATM 2593 O HOH B 180 5.259 13.563 37.866 1.00 30.73 O HETATM 2594 O HOH B 181 -1.736 -3.841 39.858 1.00 16.92 O HETATM 2595 O HOH B 182 2.742 -3.214 40.444 1.00 28.31 O HETATM 2596 O HOH B 183 -25.646 3.483 40.424 1.00 49.89 O HETATM 2597 O HOH B 184 -14.770 -4.961 41.140 1.00 33.59 O HETATM 2598 O HOH B 185 4.336 5.927 41.326 1.00 39.54 O HETATM 2599 O HOH B 186 -20.180 16.656 41.245 1.00 52.58 O HETATM 2600 O HOH B 187 4.793 -2.698 41.858 1.00 44.83 O HETATM 2601 O HOH B 188 -18.513 3.349 42.233 1.00 30.71 O HETATM 2602 O HOH B 189 -15.897 14.926 42.486 1.00 52.07 O HETATM 2603 O HOH B 190 -12.361 -5.124 42.351 1.00 29.70 O HETATM 2604 O HOH B 191 4.569 8.109 42.547 1.00 43.29 O HETATM 2605 O HOH B 192 -7.660 8.595 43.337 1.00 23.57 O HETATM 2606 O HOH B 193 5.311 -1.164 43.939 1.00 47.44 O HETATM 2607 O HOH B 194 -10.089 14.285 43.908 1.00 43.21 O HETATM 2608 O HOH B 195 -5.162 20.347 43.942 1.00 44.61 O HETATM 2609 O HOH B 196 -12.968 -5.605 44.916 1.00 34.95 O HETATM 2610 O HOH B 197 5.206 -1.997 46.371 1.00 34.81 O HETATM 2611 O HOH B 198 -5.434 -7.430 48.017 1.00 45.94 O HETATM 2612 O HOH B 199 -1.533 0.930 48.798 1.00 26.64 O HETATM 2613 O HOH B 200 -15.026 8.908 49.580 1.00 32.77 O HETATM 2614 O HOH B 201 0.054 2.923 50.986 1.00 43.16 O HETATM 2615 O HOH B 202 -7.160 -12.644 51.536 1.00 39.43 O HETATM 2616 O HOH B 203 -9.619 0.142 52.551 1.00 31.57 O HETATM 2617 O HOH B 204 -17.732 4.205 53.405 1.00 42.87 O HETATM 2618 O HOH B 205 -9.321 0.642 18.829 1.00 39.53 O HETATM 2619 O HOH B 206 -2.991 -0.807 53.719 1.00 50.17 O HETATM 2620 O HOH B 207 -8.461 4.020 56.789 1.00 46.48 O HETATM 2621 O HOH B 208 -3.332 14.306 18.710 1.00 28.70 O HETATM 2622 O HOH B 209 -6.546 2.402 58.135 1.00 57.72 O HETATM 2623 O HOH B 210 -7.885 7.334 57.990 1.00 46.04 O HETATM 2624 O HOH B 211 -12.667 1.771 19.445 1.00 38.94 O HETATM 2625 O HOH B 212 -8.911 -4.333 19.900 1.00 49.34 O HETATM 2626 O HOH B 213 -16.221 5.464 20.049 1.00 45.33 O HETATM 2627 O HOH B 214 -16.935 -2.863 22.373 1.00 43.83 O HETATM 2628 O HOH B 215 7.653 25.252 22.846 1.00 56.44 O HETATM 2629 O HOH B 216 -2.010 16.457 23.009 1.00 32.25 O HETATM 2630 O HOH B 217 -24.038 14.349 24.297 1.00 35.32 O HETATM 2631 O HOH B 218 -3.231 5.524 24.206 1.00 27.69 O HETATM 2632 O HOH B 219 -5.840 17.884 24.014 1.00 44.56 O HETATM 2633 O HOH B 220 -6.970 -7.533 43.284 1.00 27.65 O HETATM 2634 O HOH B 221 -26.652 17.933 24.309 1.00 30.58 O HETATM 2635 O HOH B 222 -13.790 -6.605 22.717 1.00 51.71 O HETATM 2636 O HOH B 223 -11.391 -7.838 41.565 1.00 27.89 O HETATM 2637 O HOH B 225 -15.818 -4.247 25.828 1.00 39.33 O HETATM 2638 O HOH B 226 -3.165 0.404 25.838 1.00 28.52 O HETATM 2639 O HOH B 227 -20.437 3.923 25.932 1.00 53.18 O HETATM 2640 O HOH B 228 -9.481 -8.616 25.952 1.00 41.88 O HETATM 2641 O HOH B 229 -27.641 14.353 26.527 1.00 29.91 O HETATM 2642 O HOH B 230 -12.357 -0.971 51.802 1.00 44.02 O HETATM 2643 O HOH B 231 0.304 -0.342 26.847 1.00 34.54 O HETATM 2644 O HOH B 232 8.920 7.805 34.740 1.00 35.80 O HETATM 2645 O HOH B 233 -20.899 7.218 27.016 1.00 41.43 O HETATM 2646 O HOH B 234 3.085 1.959 27.038 1.00 32.97 O HETATM 2647 O HOH B 235 -23.391 8.279 27.401 1.00 40.89 O HETATM 2648 O HOH B 236 -9.916 20.608 26.449 1.00 55.95 O HETATM 2649 O HOH B 237 -1.327 6.844 22.882 1.00 33.31 O HETATM 2650 O HOH B 238 -16.313 12.908 49.970 1.00 52.06 O HETATM 2651 O HOH B 241 -8.193 -11.475 57.930 1.00 39.90 O HETATM 2652 O HOH B 245 3.566 -8.273 38.449 1.00 40.96 O HETATM 2653 O HOH B 251 -10.773 -6.898 53.866 1.00 43.77 O HETATM 2654 O HOH B 254 -11.351 -8.330 44.459 1.00 32.65 O HETATM 2655 O HOH B 257 -22.402 9.294 44.732 1.00 48.67 O HETATM 2656 O HOH B 258 -4.084 -6.181 51.028 1.00 41.94 O HETATM 2657 O HOH B 259 -4.661 -3.590 51.081 1.00 39.25 O HETATM 2658 O HOH B 260 -12.533 -3.493 51.024 1.00 51.68 O HETATM 2659 O HOH B 262 -5.742 -11.033 45.293 1.00 36.77 O HETATM 2660 O HOH B 269 5.995 4.415 47.929 1.00 52.27 O HETATM 2661 O HOH B 272 1.971 4.845 49.633 1.00 42.47 O HETATM 2662 O HOH B 273 4.169 3.945 49.606 1.00 51.38 O HETATM 2663 O HOH B 282 -13.138 8.589 55.297 1.00 62.40 O HETATM 2664 O HOH B 283 -15.912 -6.581 39.701 1.00 45.65 O HETATM 2665 O HOH B 285 -18.622 -5.918 38.853 1.00 57.51 O HETATM 2666 O HOH B 286 1.974 24.697 38.948 1.00 59.93 O HETATM 2667 O HOH B 289 -15.695 -7.214 36.883 1.00 47.21 O HETATM 2668 O HOH B 290 -9.956 -9.684 59.419 1.00 44.25 O HETATM 2669 O HOH B 294 -11.093 -5.115 60.568 1.00 43.71 O HETATM 2670 O HOH B 297 -13.630 -6.566 34.490 1.00 57.56 O HETATM 2671 O HOH B 299 -14.007 -4.143 34.167 1.00 32.98 O HETATM 2672 O HOH B 304 -11.559 8.542 16.249 1.00 39.52 O HETATM 2673 O HOH B 306 2.747 -6.100 31.304 1.00 48.25 O HETATM 2674 O HOH B 307 -4.413 16.220 17.521 1.00 39.27 O HETATM 2675 O HOH B 311 -13.625 4.730 19.126 1.00 53.48 O HETATM 2676 O HOH B 312 -7.232 13.908 18.980 1.00 45.01 O HETATM 2677 O HOH B 313 2.394 -6.634 28.608 1.00 56.44 O HETATM 2678 O HOH B 315 -7.389 -1.500 20.112 1.00 36.47 O HETATM 2679 O HOH B 316 -15.373 1.116 20.626 1.00 32.55 O HETATM 2680 O HOH B 318 -3.780 -0.678 21.113 1.00 47.63 O HETATM 2681 O HOH B 321 -7.228 13.341 21.943 1.00 40.69 O HETATM 2682 O HOH B 322 -4.445 14.710 22.734 1.00 56.86 O HETATM 2683 O HOH B 323 -0.793 9.561 22.577 1.00 37.42 O HETATM 2684 O HOH B 326 -19.715 -2.405 23.099 1.00 56.78 O HETATM 2685 O HOH B 329 -9.953 -5.738 27.113 1.00 32.10 O HETATM 2686 O HOH B 331 -28.150 17.674 26.931 1.00 43.57 O HETATM 2687 O HOH B 333 -0.233 21.377 27.084 1.00 46.69 O HETATM 2688 O HOH B 335 -11.942 -5.498 28.952 1.00 32.42 O HETATM 2689 O HOH B 336 -18.946 1.604 28.862 1.00 38.06 O HETATM 2690 O HOH B 338 -7.068 20.253 28.096 1.00 50.39 O HETATM 2691 O HOH B 340 9.931 16.890 31.285 1.00 42.24 O HETATM 2692 O HOH B 341 5.278 19.462 31.736 1.00 50.62 O HETATM 2693 O HOH B 342 9.203 12.733 32.490 1.00 40.45 O HETATM 2694 O HOH B 343 -16.863 -3.743 34.355 1.00 39.47 O HETATM 2695 O HOH B 344 11.418 6.835 33.762 1.00 63.22 O HETATM 2696 O HOH B 345 6.995 14.518 36.101 1.00 38.60 O HETATM 2697 O HOH B 346 -22.037 -1.156 36.309 1.00 74.55 O HETATM 2698 O HOH B 347 -24.384 14.154 37.846 1.00 47.09 O HETATM 2699 O HOH B 348 6.632 8.937 38.291 1.00 30.95 O HETATM 2700 O HOH B 349 6.818 11.918 38.601 1.00 31.60 O HETATM 2701 O HOH B 350 5.457 15.017 40.233 1.00 41.60 O HETATM 2702 O HOH B 351 4.357 13.842 42.635 1.00 40.31 O HETATM 2703 O HOH B 352 1.115 16.863 43.252 1.00 56.59 O HETATM 2704 O HOH B 353 -11.257 18.426 43.897 1.00 54.95 O HETATM 2705 O HOH B 354 2.091 10.536 47.721 1.00 42.81 O HETATM 2706 O HOH B 355 -12.060 13.170 47.335 1.00 51.25 O HETATM 2707 O HOH B 358 -8.313 -11.698 55.358 1.00 38.20 O CONECT 2269 2270 2276 CONECT 2270 2269 2271 CONECT 2271 2270 2272 CONECT 2272 2271 2273 CONECT 2273 2272 2274 CONECT 2274 2273 CONECT 2275 2277 2288 2290 CONECT 2276 2269 2279 2292 CONECT 2277 2275 2278 2281 CONECT 2278 2277 2297 CONECT 2279 2276 2280 2283 CONECT 2280 2279 2299 CONECT 2281 2277 2282 2285 CONECT 2282 2281 CONECT 2283 2279 2284 2287 CONECT 2284 2283 CONECT 2285 2281 2286 2289 CONECT 2286 2285 CONECT 2287 2283 2288 2291 CONECT 2288 2275 2287 CONECT 2289 2285 2290 2293 CONECT 2290 2275 2289 CONECT 2291 2287 2292 2295 CONECT 2292 2276 2291 CONECT 2293 2289 2294 CONECT 2294 2293 CONECT 2295 2291 2296 CONECT 2296 2295 CONECT 2297 2278 2298 2301 CONECT 2298 2297 CONECT 2299 2280 2300 2302 CONECT 2300 2299 CONECT 2301 2297 CONECT 2302 2299 CONECT 2303 2304 2305 2306 2307 CONECT 2304 2303 CONECT 2305 2303 CONECT 2306 2303 CONECT 2307 2303 CONECT 2308 2309 2315 CONECT 2309 2308 2310 CONECT 2310 2309 2311 CONECT 2311 2310 2312 CONECT 2312 2311 2313 CONECT 2313 2312 CONECT 2314 2316 2327 2329 CONECT 2315 2308 2318 2331 CONECT 2316 2314 2317 2320 CONECT 2317 2316 2336 CONECT 2318 2315 2319 2322 CONECT 2319 2318 2338 CONECT 2320 2316 2321 2324 CONECT 2321 2320 CONECT 2322 2318 2323 2326 CONECT 2323 2322 CONECT 2324 2320 2325 2328 CONECT 2325 2324 CONECT 2326 2322 2327 2330 CONECT 2327 2314 2326 CONECT 2328 2324 2329 2332 CONECT 2329 2314 2328 CONECT 2330 2326 2331 2334 CONECT 2331 2315 2330 CONECT 2332 2328 2333 CONECT 2333 2332 CONECT 2334 2330 2335 CONECT 2335 2334 CONECT 2336 2317 2337 2340 CONECT 2337 2336 CONECT 2338 2319 2339 2341 CONECT 2339 2338 CONECT 2340 2336 CONECT 2341 2338 CONECT 2342 2343 2344 2345 2346 CONECT 2343 2342 CONECT 2344 2342 CONECT 2345 2342 CONECT 2346 2342 END