USER MOD reduce.3.24.130724 H: found=0, std=0, add=1471, rem=0, adj=73 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER SUGAR BINDING PROTEIN 02-SEP-16 5T7A TITLE CRYSTAL STRUCTURE OF BR DERIVATIVE BHCBM56 COMPND MOL_ID: 1; COMPND 2 MOLECULE: BH0236 PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: CARBOHYDRATE BINDING MODULE; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS (STRAIN ATCC BAA-125 / DSM SOURCE 3 18197 / FERM 7344 / JCM 9153 / C-125); SOURCE 4 ORGANISM_TAXID: 272558; SOURCE 5 STRAIN: ATCC BAA-125 / DSM 18197 / FERM 7344 / JCM 9153 / C-125; SOURCE 6 GENE: BH0236; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 0 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 1 EXPRESSION_SYSTEM_PLASMID: PET28A KEYWDS CARBOHYDRATE BINDING MODULE, SUGAR BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR B.PLUVINAGE,A.B.BORASTON REVDAT 1 23-AUG-17 5T7A 0 JRNL AUTH B.PLUVINAGE,A.HETTLE,A.FILLO,K.ABE,P.MASSEL,D.LANGELAAN, JRNL AUTH 2 S.P.SMITH,A.B.BORASTON JRNL TITL THE QUATERNARY STRUCTURE OF BETA-1,3-GLUCAN CONTRIBUTES TO JRNL TITL 2 ITS RECOGNITION AND HYDROLYSIS BY A MULTIMODULAR FAMILY 81 JRNL TITL 3 GLYCOSIDE HYDROLASE JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.60 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0155 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 43.73 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.0 REMARK 3 NUMBER OF REFLECTIONS : 22183 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) : 0.148 REMARK 3 R VALUE (WORKING SET) : 0.146 REMARK 3 FREE R VALUE : 0.177 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.300 REMARK 3 FREE R VALUE TEST SET COUNT : 1231 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) : 1.60 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.64 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1617 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.36 REMARK 3 BIN R VALUE (WORKING SET) : 0.2000 REMARK 3 BIN FREE R VALUE SET COUNT : 92 REMARK 3 BIN FREE R VALUE : 0.2380 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1511 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 35 REMARK 3 SOLVENT ATOMS : 290 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 14.73 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.02000 REMARK 3 B22 (A**2) : -0.06000 REMARK 3 B33 (A**2) : 0.01000 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): 0.085 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.084 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.053 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.502 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.969 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.960 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1610 ; 0.020 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 1419 ; 0.003 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2184 ; 1.851 ; 1.927 REMARK 3 BOND ANGLES OTHERS (DEGREES): 3256 ; 1.034 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 193 ; 7.134 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 88 ;32.229 ;23.636 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 243 ;10.562 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 12 ;18.686 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 226 ; 0.126 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1872 ; 0.010 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 412 ; 0.002 ; 0.020 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): 760 ; 1.361 ; 1.270 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 759 ; 1.357 ; 1.269 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 954 ; 2.029 ; 1.901 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL 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 : NULL REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 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 REMARK 4 REMARK 4 5T7A COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-SEP-16. REMARK 100 THE DEPOSITION ID IS D_1000223836. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 04-JUL-13 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : BL11-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.91966 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 325 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 23416 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 REMARK 200 RESOLUTION RANGE LOW (A) : 43.730 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.1 REMARK 200 DATA REDUNDANCY : 13.70 REMARK 200 R MERGE (I) : 0.05900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 36.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.63 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.5 REMARK 200 DATA REDUNDANCY IN SHELL : 13.60 REMARK 200 R MERGE FOR SHELL (I) : 0.59500 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 4.400 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: PHASER, SHARP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 26.99 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.68 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 21% PEG 3350, 0.1M BISTRIS/HCL, PH REMARK 280 5.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 38.13550 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 27.12900 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 38.13550 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 27.12900 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH B1211 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 903 REMARK 465 GLY A 904 REMARK 465 SER A 905 REMARK 465 SER A 906 REMARK 465 HIS A 907 REMARK 465 HIS A 908 REMARK 465 HIS A 909 REMARK 465 HIS A 910 REMARK 465 HIS A 911 REMARK 465 HIS A 912 REMARK 465 SER A 913 REMARK 465 SER A 914 REMARK 465 GLY A 915 REMARK 465 LEU A 916 REMARK 465 VAL A 917 REMARK 465 PRO A 918 REMARK 465 ARG A 919 REMARK 465 GLY A 920 REMARK 465 SER A 921 REMARK 465 HIS A 922 REMARK 465 MET A 923 REMARK 465 ALA A 924 REMARK 465 SER A 925 REMARK 465 GLN A 926 REMARK 465 GLY A 927 REMARK 465 MET B 903 REMARK 465 GLY B 904 REMARK 465 SER B 905 REMARK 465 SER B 906 REMARK 465 HIS B 907 REMARK 465 HIS B 908 REMARK 465 HIS B 909 REMARK 465 HIS B 910 REMARK 465 HIS B 911 REMARK 465 HIS B 912 REMARK 465 SER B 913 REMARK 465 SER B 914 REMARK 465 GLY B 915 REMARK 465 LEU B 916 REMARK 465 VAL B 917 REMARK 465 PRO B 918 REMARK 465 ARG B 919 REMARK 465 GLY B 920 REMARK 465 SER B 921 REMARK 465 HIS B 922 REMARK 465 MET B 923 REMARK 465 ALA B 924 REMARK 465 SER B 925 REMARK 465 GLN B 926 REMARK 465 GLY B 927 REMARK 465 ASN B 928 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ASN A 928 CG OD1 ND2 REMARK 470 GLN A 972 CG CD OE1 NE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O1 EDO A 1104 O HOH A 1201 1.90 REMARK 500 O HOH A 1310 O HOH A 1324 2.04 REMARK 500 O HOH A 1202 O HOH A 1306 2.15 REMARK 500 O HOH A 1279 O HOH A 1308 2.15 REMARK 500 REMARK 500 REMARK: NULL 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 1296 O HOH A 1296 2655 1.67 REMARK 500 O HOH A 1326 O HOH B 1322 2555 1.97 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 B 984 CD GLU B 984 OE2 -0.074 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 ARG B 960 NE - CZ - NH2 ANGL. DEV. = -4.1 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 1101 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 1102 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 1103 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 1104 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue BR A 1105 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue BR A 1106 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue BR A 1107 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue BR A 1108 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO B 1101 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO B 1102 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO B 1103 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue BR B 1104 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue BR B 1105 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue BR B 1106 DBREF 5T7A A 926 1020 UNP Q9KG76 Q9KG76_BACHD 926 1020 DBREF 5T7A B 926 1020 UNP Q9KG76 Q9KG76_BACHD 926 1020 SEQADV 5T7A MET A 903 UNP Q9KG76 INITIATING METHIONINE SEQADV 5T7A GLY A 904 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A SER A 905 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A SER A 906 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A HIS A 907 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A HIS A 908 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A HIS A 909 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A HIS A 910 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A HIS A 911 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A HIS A 912 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A SER A 913 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A SER A 914 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A GLY A 915 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A LEU A 916 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A VAL A 917 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A PRO A 918 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A ARG A 919 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A GLY A 920 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A SER A 921 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A HIS A 922 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A MET A 923 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A ALA A 924 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A SER A 925 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A MET B 903 UNP Q9KG76 INITIATING METHIONINE SEQADV 5T7A GLY B 904 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A SER B 905 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A SER B 906 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A HIS B 907 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A HIS B 908 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A HIS B 909 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A HIS B 910 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A HIS B 911 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A HIS B 912 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A SER B 913 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A SER B 914 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A GLY B 915 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A LEU B 916 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A VAL B 917 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A PRO B 918 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A ARG B 919 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A GLY B 920 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A SER B 921 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A HIS B 922 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A MET B 923 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A ALA B 924 UNP Q9KG76 EXPRESSION TAG SEQADV 5T7A SER B 925 UNP Q9KG76 EXPRESSION TAG SEQRES 1 A 118 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 A 118 LEU VAL PRO ARG GLY SER HIS MET ALA SER GLN GLY ASN SEQRES 3 A 118 GLY ASP SER HIS THR HIS PRO ASP TYR THR ALA GLY ILE SEQRES 4 A 118 ARG GLY ILE THR GLY ASN GLU VAL THR ILE PHE PHE ALA SEQRES 5 A 118 PRO THR THR GLU ALA ARG TYR VAL ASP VAL HIS LEU LYS SEQRES 6 A 118 VAL ASN ASN GLY GLN GLN LEU ASN TYR ARG MET THR GLU SEQRES 7 A 118 ARG ASN GLY GLU TRP GLU ARG VAL VAL GLU ASN LEU SER SEQRES 8 A 118 SER GLY ASP VAL LEU GLU TYR SER PHE THR TYR GLU LYS SEQRES 9 A 118 LEU GLY PRO GLN TYR THR THR GLU TRP PHE THR TYR SER SEQRES 10 A 118 ARG SEQRES 1 B 118 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 B 118 LEU VAL PRO ARG GLY SER HIS MET ALA SER GLN GLY ASN SEQRES 3 B 118 GLY ASP SER HIS THR HIS PRO ASP TYR THR ALA GLY ILE SEQRES 4 B 118 ARG GLY ILE THR GLY ASN GLU VAL THR ILE PHE PHE ALA SEQRES 5 B 118 PRO THR THR GLU ALA ARG TYR VAL ASP VAL HIS LEU LYS SEQRES 6 B 118 VAL ASN ASN GLY GLN GLN LEU ASN TYR ARG MET THR GLU SEQRES 7 B 118 ARG ASN GLY GLU TRP GLU ARG VAL VAL GLU ASN LEU SER SEQRES 8 B 118 SER GLY ASP VAL LEU GLU TYR SER PHE THR TYR GLU LYS SEQRES 9 B 118 LEU GLY PRO GLN TYR THR THR GLU TRP PHE THR TYR SER SEQRES 10 B 118 ARG HET EDO A1101 4 HET EDO A1102 4 HET EDO A1103 4 HET EDO A1104 4 HET BR A1105 1 HET BR A1106 1 HET BR A1107 1 HET BR A1108 1 HET EDO B1101 4 HET EDO B1102 4 HET EDO B1103 4 HET BR B1104 1 HET BR B1105 1 HET BR B1106 1 HETNAM EDO 1,2-ETHANEDIOL HETNAM BR BROMIDE ION HETSYN EDO ETHYLENE GLYCOL FORMUL 3 EDO 7(C2 H6 O2) FORMUL 7 BR 7(BR 1-) FORMUL 17 HOH *290(H2 O) SHEET 1 AA1 5 ASP A 930 HIS A 934 0 SHEET 2 AA1 5 TYR A 937 ARG A 942 -1 O TYR A 937 N HIS A 934 SHEET 3 AA1 5 GLU A 948 PRO A 955 -1 O ALA A 954 N THR A 938 SHEET 4 AA1 5 GLU A 984 GLU A 990 -1 O ARG A 987 N ILE A 951 SHEET 5 AA1 5 THR A 979 ARG A 981 -1 N THR A 979 O GLU A 986 SHEET 1 AA2 4 LEU A 974 ARG A 977 0 SHEET 2 AA2 4 VAL A 962 VAL A 968 -1 N VAL A 964 O TYR A 976 SHEET 3 AA2 4 VAL A 997 GLU A1005 -1 O THR A1003 N ASP A 963 SHEET 4 AA2 4 GLN A1010 THR A1012 -1 O TYR A1011 N TYR A1004 SHEET 1 AA3 4 LEU A 974 ARG A 977 0 SHEET 2 AA3 4 VAL A 962 VAL A 968 -1 N VAL A 964 O TYR A 976 SHEET 3 AA3 4 VAL A 997 GLU A1005 -1 O THR A1003 N ASP A 963 SHEET 4 AA3 4 PHE A1016 SER A1019 -1 O PHE A1016 N TYR A1000 SHEET 1 AA4 5 SER B 931 HIS B 934 0 SHEET 2 AA4 5 TYR B 937 ARG B 942 -1 O ALA B 939 N HIS B 932 SHEET 3 AA4 5 GLU B 948 PRO B 955 -1 O ALA B 954 N THR B 938 SHEET 4 AA4 5 GLU B 984 GLU B 990 -1 O ARG B 987 N ILE B 951 SHEET 5 AA4 5 THR B 979 ARG B 981 -1 N ARG B 981 O GLU B 984 SHEET 1 AA5 4 LEU B 974 ARG B 977 0 SHEET 2 AA5 4 VAL B 962 VAL B 968 -1 N VAL B 964 O TYR B 976 SHEET 3 AA5 4 VAL B 997 GLU B1005 -1 O GLU B 999 N LYS B 967 SHEET 4 AA5 4 GLN B1010 THR B1012 -1 O TYR B1011 N TYR B1004 SHEET 1 AA6 4 LEU B 974 ARG B 977 0 SHEET 2 AA6 4 VAL B 962 VAL B 968 -1 N VAL B 964 O TYR B 976 SHEET 3 AA6 4 VAL B 997 GLU B1005 -1 O GLU B 999 N LYS B 967 SHEET 4 AA6 4 PHE B1016 SER B1019 -1 O PHE B1016 N TYR B1000 SITE *** AC1 8 ASP A 936 LYS A1006 TYR A1011 HOH A1252 SITE *** AC1 8 TYR B 961 ASP B 963 ARG B 977 HOH B1224 SITE *** AC2 8 ARG A 960 TYR A 961 GLY A1008 PRO A1009 SITE *** AC2 8 GLN A1010 THR A1017 TYR A1018 SER A1019 SITE *** AC3 5 LYS A 967 GLU A 999 TRP A1015 HOH A1210 SITE *** AC3 5 HOH A1283 SITE *** AC4 6 LYS A 967 VAL A 968 GLY A 971 GLN A 972 SITE *** AC4 6 LEU A 974 HOH A1201 SITE *** AC5 1 ARG A 977 SITE *** AC6 1 GLU A 958 SITE *** AC7 2 SER A 931 THR A 933 SITE *** AC8 3 TRP A1015 HOH A1283 HOH B1256 SITE *** AC9 7 PHE A 952 GLU A 984 ARG B 987 VAL B 988 SITE *** AC9 7 GLU B 990 HOH B1234 HOH B1302 SITE *** AD1 8 PRO B 935 ASP B 936 THR B 956 THR B 957 SITE *** AD1 8 LYS B1006 HOH B1201 HOH B1225 HOH B1238 SITE *** AD2 4 ASP B 936 TYR B1011 HOH B1203 HOH B1276 SITE *** AD3 6 ASN B 982 TYR B1018 SER B1019 HOH B1223 SITE *** AD3 6 HOH B1264 HOH B1271 SITE *** AD4 3 GLY B 943 ILE B 944 HOH B1301 SITE *** AD5 4 ASN B 982 SER B1019 HOH B1284 HOH B1300 CRYST1 76.271 54.258 57.820 90.00 130.86 90.00 C 1 2 1 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.013111 0.000000 0.011342 0.00000 SCALE2 0.000000 0.018430 0.000000 0.00000 SCALE3 0.000000 0.000000 0.022868 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A1102 EDO HO2 : A1102 EDO O2 : A1102 EDO C2 :(short bond) USER MOD Set 1.1: B 965 HIS : no HE2:sc= 1.97 K(o=8.3,f=-8.1!) USER MOD Set 1.2: B 973 GLN : amide:sc= 1.23 K(o=8.3,f=6.3) USER MOD Set 1.3: B 975 ASN : amide:sc= 1.04 K(o=8.3,f=4) USER MOD Set 1.4: B1001 SER OG : rot -87:sc= -0.0171 USER MOD Set 1.5: B1003 THR OG1 : rot 103:sc= 2.1 USER MOD Set 1.6: B1012 THR OG1 : rot -87:sc= 1.96 USER MOD Set 2.1: B 961 TYR OH : rot 40:sc= 1.97 USER MOD Set 2.2: B1010 GLN : amide:sc= 1.09 K(o=3.1,f=2) USER MOD Set 3.1: B1006 LYS NZ :NH3+ -150:sc= 1.37 (180deg=1.14) USER MOD Set 3.2: B1102 EDO O1 : rot -72:sc= 1.95 USER MOD Set 3.3: B1102 EDO O2 : rot -82:sc= 0.895 USER MOD Set 4.1: A 938 THR OG1 : rot 85:sc= 1.67 USER MOD Set 4.2: B 976 TYR OH : rot 10:sc= 1.69 USER MOD Set 5.1: B 932 HIS : no HE2:sc= 2.1 K(o=3.3,f=-3.4!) USER MOD Set 5.2: B1000 TYR OH : rot 156:sc= 1.19 USER MOD Set 6.1: A 967 LYS NZ :NH3+ -166:sc= 2.2 (180deg=1.1) USER MOD Set 6.2: A1103 EDO O1 : rot 38:sc= 1.39 USER MOD Set 7.1: A1006 LYS NZ A:NH3+ 179:sc= 2.02 (180deg=2.02) USER MOD Set 7.2: A1101 EDO O1 : rot -164:sc= 1.55 USER MOD Set 8.1: A 965 HIS : no HE2:sc= 1.79 K(o=12,f=-3.3!) USER MOD Set 8.2: A 973 GLN : amide:sc= 1.77 K(o=12,f=9) USER MOD Set 8.3: A 975 ASN : amide:sc= 1.87 K(o=12,f=8.8) USER MOD Set 8.4: A1001 SER OG A: rot -82:sc= -0.379 USER MOD Set 8.5: A1001 SER OG B: rot 98:sc= 0.586 USER MOD Set 8.6: A1003 THR OG1 : rot 74:sc= 3.22 USER MOD Set 8.7: A1012 THR OG1 : rot -80:sc= 1.93 USER MOD Set 8.8: A1013 THR OG1 : rot 78:sc= 1.1 USER MOD Set 9.1: A 961 TYR OH : rot 28:sc= -6.69! USER MOD Set 9.2: A1010 GLN : amide:sc= 1.15 K(o=-5.5,f=-6.5) USER MOD Set10.1: A 932 HIS : no HE2:sc= 1.99! C(o=3.1!,f=-9!) USER MOD Set10.2: A1000 TYR OH : rot 152:sc= 1.11 USER MOD Set11.1: A 931 SER OG : rot -178:sc= 1.42 USER MOD Set11.2: B 991 ASN : amide:sc= 2.25 K(o=3.7,f=1.3) USER MOD Single : A 933 THR OG1 : rot -93:sc= 2.98 USER MOD Single : A 934 HIS : no HD1:sc= -0.55 K(o=-0.55,f=-5.7!) USER MOD Single : A 937 TYR OH : rot 180:sc= 1.62 USER MOD Single : A 945 THR OG1 : rot -49:sc= 0.838 USER MOD Single : A 947 ASN : amide:sc= 0.703 K(o=0.7,f=-2.6!) USER MOD Single : A 950 THR OG1 : rot 72:sc= 2.28 USER MOD Single : A 956 THR OG1 : rot -154:sc= 2.15 USER MOD Single : A 957 THR OG1 : rot 93:sc= 2.19 USER MOD Single : A 969 ASN : amide:sc= 0.601 K(o=0.6,f=-4!) USER MOD Single : A 970 ASN : amide:sc= 0.814 K(o=0.81,f=-2!) USER MOD Single : A 976 TYR OH : rot 30:sc= 1.29 USER MOD Single : A 978 MET CE :methyl 173:sc= -0.069 (180deg=-0.115) USER MOD Single : A 979 THR OG1 : rot 75:sc= 1.33 USER MOD Single : A 982 ASN : amide:sc= -0.0101 K(o=-0.01,f=-0.75) USER MOD Single : A 991 ASN : amide:sc= 0.747 X(o=0.75,f=0.62) USER MOD Single : A 993 SER OG : rot 69:sc= 0.955 USER MOD Single : A 994 SER OG : rot 84:sc= 0.571 USER MOD Single : A1004 TYR OH : rot -168:sc= 1.28 USER MOD Single : A1006 LYS NZ B:NH3+ -165:sc= 2.02 (180deg=1.28) USER MOD Single : A1011 TYR OH : rot 13:sc= 2.69 USER MOD Single : A1017 THR OG1 : rot 180:sc= 0 USER MOD Single : A1018 TYR OH : rot 141:sc= 0.958 USER MOD Single : A1019 SER OG A: rot -88:sc= 2.24 USER MOD Single : A1019 SER OG B: rot 180:sc= 0 USER MOD Single : A1101 EDO O2 : rot 5:sc= 0.776 USER MOD Single : A1102 EDO O1 : rot 180:sc= 0.396 USER MOD Single : A1103 EDO O2 : rot -33:sc= 1.53 USER MOD Single : A1104 EDO O1 : rot 180:sc= 0 USER MOD Single : A1104 EDO O2 : rot 114:sc= 1.88 USER MOD Single : B 931 SER OG : rot 147:sc= 1.3 USER MOD Single : B 933 THR OG1 : rot -79:sc= 0.052 USER MOD Single : B 934 HIS : no HD1:sc= 0.474 K(o=0.47,f=-6.6!) USER MOD Single : B 937 TYR OH : rot 179:sc= 1.33 USER MOD Single : B 938 THR OG1 : rot 82:sc= 1.07 USER MOD Single : B 945 THR OG1 : rot 180:sc= 0.166 USER MOD Single : B 947 ASN : amide:sc= 0.375 X(o=0.37,f=0.63) USER MOD Single : B 950 THR OG1 : rot 60:sc= 2.17 USER MOD Single : B 956 THR OG1 : rot -162:sc= 1.89 USER MOD Single : B 957 THR OG1 : rot 92:sc= 2.01 USER MOD Single : B 967 LYS NZ :NH3+ -169:sc= 0.187 (180deg=0.104) USER MOD Single : B 969 ASN : amide:sc= 1.64 K(o=1.6,f=-5.9!) USER MOD Single : B 970 ASN : amide:sc= 1.27 K(o=1.3,f=-0.52) USER MOD Single : B 972 GLN : amide:sc= -0.0912 K(o=-0.091,f=-1.5!) USER MOD Single : B 978 MET CE :methyl -124:sc= -0.115 (180deg=-0.304) USER MOD Single : B 979 THR OG1 : rot 89:sc= 0.389 USER MOD Single : B 982 ASN : amide:sc= 0.00116 K(o=0.0012,f=-0.72) USER MOD Single : B 993 SER OG : rot 1:sc= 1.18 USER MOD Single : B 994 SER OG A: rot -67:sc= 0.109 USER MOD Single : B 994 SER OG B: rot 95:sc= 0.0431 USER MOD Single : B1004 TYR OH : rot 175:sc= 2.4 USER MOD Single : B1011 TYR OH : rot -178:sc= 2.58 USER MOD Single : B1013 THR OG1 : rot 80:sc= 0.955 USER MOD Single : B1017 THR OG1 : rot -25:sc= 2.13 USER MOD Single : B1018 TYR OH : rot 141:sc= 0.984 USER MOD Single : B1019 SER OG : rot 91:sc= 2.52 USER MOD Single : B1101 EDO O1 : rot 74:sc= 0.644 USER MOD Single : B1101 EDO O2 : rot 33:sc= 2.34 USER MOD Single : B1103 EDO O1 : rot -67:sc= 2.9 USER MOD Single : B1103 EDO O2 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 928 20.064 48.569 15.597 1.00 34.71 N ATOM 2 CA ASN A 928 21.030 48.344 14.474 1.00 28.96 C ATOM 3 C ASN A 928 20.738 47.210 13.443 1.00 22.89 C ATOM 4 O ASN A 928 21.519 47.026 12.524 1.00 24.64 O ATOM 5 CB ASN A 928 22.427 48.146 15.093 1.00 29.71 C ATOM 0 HA ASN A 928 20.946 49.137 13.922 1.00 28.96 H new ATOM 6 N GLY A 929 19.691 46.394 13.585 1.00 20.65 N ATOM 7 CA GLY A 929 19.454 45.306 12.615 1.00 15.67 C ATOM 8 C GLY A 929 18.757 45.764 11.361 1.00 14.24 C ATOM 9 O GLY A 929 18.346 46.942 11.212 1.00 14.31 O ATOM 0 H GLY A 929 19.114 46.446 14.220 1.00 20.65 H new ATOM 0 HA2 GLY A 929 20.304 44.904 12.376 1.00 15.67 H new ATOM 0 HA3 GLY A 929 18.922 44.614 13.039 1.00 15.67 H new ATOM 10 N ASP A 930 18.663 44.847 10.387 1.00 12.09 N ATOM 11 CA ASP A 930 18.103 45.173 9.074 1.00 12.75 C ATOM 12 C ASP A 930 17.051 44.164 8.738 1.00 11.60 C ATOM 13 O ASP A 930 17.196 42.951 9.000 1.00 12.98 O ATOM 14 CB ASP A 930 19.150 44.940 7.956 1.00 14.20 C ATOM 15 CG ASP A 930 20.235 45.890 7.963 1.00 18.39 C ATOM 16 OD1 ASP A 930 20.185 46.863 8.735 1.00 21.56 O ATOM 17 OD2 ASP A 930 21.208 45.642 7.185 1.00 18.56 O ATOM 0 H ASP A 930 18.919 44.030 10.471 1.00 12.09 H new ATOM 0 HA ASP A 930 17.792 46.091 9.117 1.00 12.75 H new ATOM 0 HB2 ASP A 930 19.514 44.046 8.048 1.00 14.20 H new ATOM 0 HB3 ASP A 930 18.705 44.978 7.095 1.00 14.20 H new ATOM 18 N SER A 931 16.020 44.635 8.080 1.00 10.38 N ATOM 19 CA SER A 931 14.971 43.771 7.550 1.00 10.84 C ATOM 20 C SER A 931 14.683 44.070 6.092 1.00 11.00 C ATOM 21 O SER A 931 14.828 45.230 5.633 1.00 12.59 O ATOM 22 CB SER A 931 13.681 43.806 8.342 1.00 10.58 C ATOM 23 OG SER A 931 13.833 43.262 9.648 1.00 11.45 O ATOM 0 H SER A 931 15.899 45.472 7.921 1.00 10.38 H new ATOM 0 HA SER A 931 15.328 42.873 7.633 1.00 10.84 H new ATOM 0 HB2 SER A 931 13.371 44.722 8.410 1.00 10.58 H new ATOM 0 HB3 SER A 931 12.998 43.310 7.865 1.00 10.58 H new ATOM 0 HG SER A 931 13.093 43.276 10.045 1.00 11.45 H new ATOM 24 N HIS A 932 14.370 42.992 5.365 1.00 9.30 N ATOM 25 CA HIS A 932 13.955 43.071 3.995 1.00 9.31 C ATOM 26 C HIS A 932 12.645 42.312 3.886 1.00 9.12 C ATOM 27 O HIS A 932 12.526 41.251 4.477 1.00 8.26 O ATOM 28 CB HIS A 932 14.988 42.422 3.117 1.00 9.85 C ATOM 29 CG HIS A 932 16.337 43.052 3.259 1.00 11.45 C ATOM 30 ND1 HIS A 932 16.684 44.257 2.658 1.00 13.34 N ATOM 31 CD2 HIS A 932 17.392 42.686 4.017 1.00 11.94 C ATOM 32 CE1 HIS A 932 17.943 44.526 2.968 1.00 13.41 C ATOM 33 NE2 HIS A 932 18.384 43.603 3.802 1.00 13.84 N ATOM 0 H HIS A 932 14.398 42.190 5.674 1.00 9.30 H new ATOM 0 HA HIS A 932 13.849 43.994 3.715 1.00 9.31 H new ATOM 0 HB2 HIS A 932 15.050 41.479 3.337 1.00 9.85 H new ATOM 0 HB3 HIS A 932 14.703 42.479 2.191 1.00 9.85 H new ATOM 0 HD1 HIS A 932 16.170 44.743 2.169 1.00 13.34 H new ATOM 0 HD2 HIS A 932 17.436 41.948 4.581 1.00 11.94 H new ATOM 0 HE1 HIS A 932 18.436 45.248 2.650 1.00 13.41 H new ATOM 34 N THR A 933 11.685 42.813 3.071 1.00 7.93 N ATOM 35 CA THR A 933 10.411 42.185 3.044 1.00 8.98 C ATOM 36 C THR A 933 9.983 41.919 1.602 1.00 9.36 C ATOM 37 O THR A 933 10.157 42.797 0.711 1.00 11.76 O ATOM 38 CB THR A 933 9.323 43.036 3.721 1.00 8.97 C ATOM 39 OG1 THR A 933 9.405 44.416 3.288 1.00 11.28 O ATOM 40 CG2 THR A 933 9.500 42.968 5.197 1.00 9.53 C ATOM 0 H THR A 933 11.776 43.494 2.554 1.00 7.93 H new ATOM 0 HA THR A 933 10.503 41.354 3.535 1.00 8.98 H new ATOM 0 HB THR A 933 8.453 42.687 3.472 1.00 8.97 H new ATOM 0 HG1 THR A 933 9.885 44.850 3.823 1.00 11.28 H new ATOM 0 HG21 THR A 933 8.817 43.503 5.630 1.00 9.53 H new ATOM 0 HG22 THR A 933 9.423 42.047 5.490 1.00 9.53 H new ATOM 0 HG23 THR A 933 10.376 43.310 5.434 1.00 9.53 H new ATOM 41 N HIS A 934 9.323 40.789 1.460 1.00 8.24 N ATOM 42 CA HIS A 934 8.768 40.293 0.201 1.00 8.20 C ATOM 43 C HIS A 934 7.516 39.536 0.605 1.00 7.64 C ATOM 44 O HIS A 934 7.439 38.993 1.716 1.00 7.08 O ATOM 45 CB HIS A 934 9.706 39.336 -0.532 1.00 8.34 C ATOM 46 CG HIS A 934 9.136 38.769 -1.794 1.00 8.17 C ATOM 47 ND1 HIS A 934 8.401 37.604 -1.831 1.00 8.22 N ATOM 48 CD2 HIS A 934 9.199 39.207 -3.063 1.00 9.32 C ATOM 49 CE1 HIS A 934 8.020 37.356 -3.068 1.00 9.38 C ATOM 50 NE2 HIS A 934 8.473 38.334 -3.833 1.00 9.49 N ATOM 0 H HIS A 934 9.175 40.259 2.121 1.00 8.24 H new ATOM 0 HA HIS A 934 8.609 41.032 -0.407 1.00 8.20 H new ATOM 0 HB2 HIS A 934 10.530 39.803 -0.742 1.00 8.34 H new ATOM 0 HB3 HIS A 934 9.938 38.606 0.063 1.00 8.34 H new ATOM 0 HD2 HIS A 934 9.651 39.962 -3.364 1.00 9.32 H new ATOM 0 HE1 HIS A 934 7.522 36.624 -3.352 1.00 9.38 H new ATOM 0 HE2 HIS A 934 8.335 38.411 -4.678 1.00 9.49 H new ATOM 51 N PRO A 935 6.476 39.454 -0.251 1.00 7.17 N ATOM 52 CA PRO A 935 5.324 38.697 0.225 1.00 7.37 C ATOM 53 C PRO A 935 5.579 37.295 0.827 1.00 7.38 C ATOM 54 O PRO A 935 4.865 36.868 1.737 1.00 7.35 O ATOM 55 CB PRO A 935 4.445 38.613 -1.044 1.00 8.03 C ATOM 56 CG PRO A 935 4.709 39.885 -1.647 1.00 8.20 C ATOM 57 CD PRO A 935 6.164 40.078 -1.528 1.00 7.93 C ATOM 0 HA PRO A 935 4.933 39.144 0.992 1.00 7.37 H new ATOM 0 HB2 PRO A 935 4.701 37.875 -1.619 1.00 8.03 H new ATOM 0 HB3 PRO A 935 3.506 38.496 -0.832 1.00 8.03 H new ATOM 0 HG2 PRO A 935 4.429 39.897 -2.576 1.00 8.20 H new ATOM 0 HG3 PRO A 935 4.224 40.594 -1.196 1.00 8.20 H new ATOM 0 HD2 PRO A 935 6.643 39.657 -2.259 1.00 7.93 H new ATOM 0 HD3 PRO A 935 6.403 41.018 -1.536 1.00 7.93 H new ATOM 58 N ASP A 936 6.610 36.589 0.376 1.00 7.60 N ATOM 59 CA ASP A 936 6.997 35.327 0.953 1.00 7.37 C ATOM 60 C ASP A 936 7.798 35.344 2.216 1.00 7.13 C ATOM 61 O ASP A 936 7.918 34.312 2.825 1.00 7.99 O ATOM 62 CB ASP A 936 7.819 34.546 -0.079 1.00 7.93 C ATOM 63 CG ASP A 936 7.007 34.035 -1.244 1.00 8.11 C ATOM 64 OD1 ASP A 936 5.781 34.099 -1.202 1.00 9.71 O ATOM 65 OD2 ASP A 936 7.613 33.483 -2.195 1.00 8.93 O ATOM 0 H ASP A 936 7.105 36.839 -0.281 1.00 7.60 H new ATOM 0 HA ASP A 936 6.147 34.927 1.196 1.00 7.37 H new ATOM 0 HB2 ASP A 936 8.527 35.117 -0.415 1.00 7.93 H new ATOM 0 HB3 ASP A 936 8.246 33.794 0.361 1.00 7.93 H new ATOM 66 N TYR A 937 8.333 36.472 2.682 1.00 6.53 N ATOM 67 CA TYR A 937 9.264 36.455 3.842 1.00 6.45 C ATOM 68 C TYR A 937 9.607 37.852 4.369 1.00 6.23 C ATOM 69 O TYR A 937 9.677 38.858 3.619 1.00 6.47 O ATOM 70 CB TYR A 937 10.590 35.763 3.466 1.00 6.37 C ATOM 71 CG TYR A 937 11.365 36.396 2.352 1.00 7.06 C ATOM 72 CD1 TYR A 937 12.199 37.449 2.552 1.00 7.44 C ATOM 73 CD2 TYR A 937 11.216 35.939 1.035 1.00 7.18 C ATOM 74 CE1 TYR A 937 12.908 38.077 1.513 1.00 7.12 C ATOM 75 CE2 TYR A 937 11.881 36.568 -0.013 1.00 7.51 C ATOM 76 CZ TYR A 937 12.698 37.649 0.243 1.00 7.41 C ATOM 77 OH TYR A 937 13.389 38.295 -0.765 1.00 9.12 O ATOM 0 H TYR A 937 8.180 37.252 2.355 1.00 6.53 H new ATOM 0 HA TYR A 937 8.795 35.969 4.538 1.00 6.45 H new ATOM 0 HB2 TYR A 937 11.155 35.734 4.254 1.00 6.37 H new ATOM 0 HB3 TYR A 937 10.397 34.844 3.222 1.00 6.37 H new ATOM 0 HD1 TYR A 937 12.306 37.770 3.418 1.00 7.44 H new ATOM 0 HD2 TYR A 937 10.668 35.209 0.860 1.00 7.18 H new ATOM 0 HE1 TYR A 937 13.505 38.767 1.692 1.00 7.12 H new ATOM 0 HE2 TYR A 937 11.775 36.260 -0.884 1.00 7.51 H new ATOM 0 HH TYR A 937 13.188 37.954 -1.506 1.00 9.12 H new ATOM 78 N THR A 938 9.998 37.863 5.643 1.00 6.49 N ATOM 79 CA THR A 938 10.825 38.928 6.212 1.00 7.04 C ATOM 80 C THR A 938 12.184 38.282 6.449 1.00 7.04 C ATOM 81 O THR A 938 12.230 37.095 6.929 1.00 7.08 O ATOM 82 CB THR A 938 10.325 39.410 7.559 1.00 7.69 C ATOM 83 OG1 THR A 938 8.956 39.817 7.407 1.00 7.97 O ATOM 84 CG2 THR A 938 11.132 40.586 8.028 1.00 7.21 C ATOM 0 H THR A 938 9.789 37.248 6.206 1.00 6.49 H new ATOM 0 HA THR A 938 10.828 39.690 5.612 1.00 7.04 H new ATOM 0 HB THR A 938 10.407 38.696 8.210 1.00 7.69 H new ATOM 0 HG1 THR A 938 8.454 39.148 7.483 1.00 7.97 H new ATOM 0 HG21 THR A 938 10.801 40.883 8.890 1.00 7.21 H new ATOM 0 HG22 THR A 938 12.063 40.327 8.112 1.00 7.21 H new ATOM 0 HG23 THR A 938 11.054 41.309 7.386 1.00 7.21 H new ATOM 85 N ALA A 939 13.261 38.965 6.054 1.00 7.19 N ATOM 86 CA ALA A 939 14.577 38.371 6.252 1.00 7.48 C ATOM 87 C ALA A 939 15.578 39.450 6.560 1.00 8.37 C ATOM 88 O ALA A 939 15.383 40.600 6.195 1.00 9.17 O ATOM 89 CB ALA A 939 15.044 37.593 5.024 1.00 7.45 C ATOM 0 H ALA A 939 13.252 39.742 5.685 1.00 7.19 H new ATOM 0 HA ALA A 939 14.508 37.750 6.994 1.00 7.48 H new ATOM 0 HB1 ALA A 939 15.921 37.214 5.195 1.00 7.45 H new ATOM 0 HB2 ALA A 939 14.415 36.879 4.835 1.00 7.45 H new ATOM 0 HB3 ALA A 939 15.093 38.191 4.262 1.00 7.45 H new ATOM 90 N GLY A 940 16.673 39.101 7.253 1.00 8.09 N ATOM 91 CA GLY A 940 17.588 40.159 7.566 1.00 8.96 C ATOM 92 C GLY A 940 18.580 39.755 8.639 1.00 8.79 C ATOM 93 O GLY A 940 18.930 38.583 8.804 1.00 8.70 O ATOM 0 H GLY A 940 16.880 38.312 7.526 1.00 8.09 H new ATOM 0 HA2 GLY A 940 18.068 40.418 6.764 1.00 8.96 H new ATOM 0 HA3 GLY A 940 17.091 40.938 7.863 1.00 8.96 H new ATOM 94 N ILE A 941 19.042 40.783 9.354 1.00 8.01 N ATOM 95 CA ILE A 941 20.043 40.641 10.411 1.00 8.85 C ATOM 96 C ILE A 941 19.428 41.059 11.745 1.00 9.27 C ATOM 97 O ILE A 941 18.818 42.135 11.833 1.00 11.29 O ATOM 98 CB ILE A 941 21.271 41.483 10.117 1.00 8.99 C ATOM 99 CG1 ILE A 941 21.847 41.160 8.721 1.00 8.58 C ATOM 100 CG2 ILE A 941 22.313 41.292 11.198 1.00 9.29 C ATOM 101 CD1 ILE A 941 22.289 39.747 8.425 1.00 8.87 C ATOM 0 H ILE A 941 18.778 41.593 9.236 1.00 8.01 H new ATOM 0 HA ILE A 941 20.322 39.713 10.454 1.00 8.85 H new ATOM 0 HB ILE A 941 21.006 42.416 10.113 1.00 8.99 H new ATOM 0 HG12 ILE A 941 21.176 41.402 8.063 1.00 8.58 H new ATOM 0 HG13 ILE A 941 22.609 41.742 8.576 1.00 8.58 H new ATOM 0 HG21 ILE A 941 23.091 41.835 10.997 1.00 9.29 H new ATOM 0 HG22 ILE A 941 21.944 41.560 12.054 1.00 9.29 H new ATOM 0 HG23 ILE A 941 22.572 40.358 11.236 1.00 9.29 H new ATOM 0 HD11 ILE A 941 22.626 39.697 7.517 1.00 8.87 H new ATOM 0 HD12 ILE A 941 22.990 39.491 9.044 1.00 8.87 H new ATOM 0 HD13 ILE A 941 21.535 39.145 8.524 1.00 8.87 H new ATOM 102 N ARG A 942 19.608 40.247 12.793 1.00 9.03 N ATOM 103 CA ARG A 942 19.154 40.578 14.113 1.00 9.70 C ATOM 104 C ARG A 942 20.168 40.032 15.160 1.00 10.16 C ATOM 105 O ARG A 942 21.193 39.470 14.764 1.00 10.66 O ATOM 106 CB ARG A 942 17.732 40.072 14.367 1.00 10.60 C ATOM 107 CG ARG A 942 17.610 38.576 14.406 1.00 10.73 C ATOM 108 CD ARG A 942 16.124 38.220 14.565 1.00 11.48 C ATOM 109 NE ARG A 942 15.896 36.811 14.644 1.00 11.88 N ATOM 110 CZ ARG A 942 14.777 36.180 14.367 1.00 12.29 C ATOM 111 NH1 ARG A 942 13.708 36.816 13.907 1.00 11.45 N ATOM 112 NH2 ARG A 942 14.715 34.891 14.484 1.00 12.67 N ATOM 0 H ARG A 942 20.003 39.485 12.740 1.00 9.03 H new ATOM 0 HA ARG A 942 19.113 41.543 14.199 1.00 9.70 H new ATOM 0 HB2 ARG A 942 17.416 40.434 15.209 1.00 10.60 H new ATOM 0 HB3 ARG A 942 17.148 40.416 13.673 1.00 10.60 H new ATOM 0 HG2 ARG A 942 17.966 38.186 13.592 1.00 10.73 H new ATOM 0 HG3 ARG A 942 18.126 38.214 15.143 1.00 10.73 H new ATOM 0 HD2 ARG A 942 15.778 38.645 15.366 1.00 11.48 H new ATOM 0 HD3 ARG A 942 15.627 38.582 13.815 1.00 11.48 H new ATOM 0 HE ARG A 942 16.559 36.327 14.899 1.00 11.88 H new ATOM 0 HH11 ARG A 942 13.734 37.666 13.782 1.00 11.45 H new ATOM 0 HH12 ARG A 942 12.988 36.378 13.734 1.00 11.45 H new ATOM 0 HH21 ARG A 942 15.406 34.449 14.743 1.00 12.67 H new ATOM 0 HH22 ARG A 942 13.983 34.478 14.303 1.00 12.67 H new ATOM 113 N GLY A 943 19.898 40.239 16.463 1.00 10.63 N ATOM 114 CA GLY A 943 20.785 39.619 17.435 1.00 12.88 C ATOM 115 C GLY A 943 22.260 40.109 17.357 1.00 13.20 C ATOM 116 O GLY A 943 23.170 39.308 17.560 1.00 14.62 O ATOM 0 H GLY A 943 19.248 40.705 16.779 1.00 10.63 H new ATOM 0 HA2 GLY A 943 20.444 39.793 18.326 1.00 12.88 H new ATOM 0 HA3 GLY A 943 20.767 38.658 17.307 1.00 12.88 H new ATOM 117 N ILE A 944 22.464 41.388 17.101 1.00 12.40 N ATOM 118 CA ILE A 944 23.814 41.898 16.878 1.00 13.01 C ATOM 119 C ILE A 944 24.517 42.085 18.253 1.00 12.97 C ATOM 120 O ILE A 944 23.962 42.758 19.163 1.00 16.33 O ATOM 121 CB ILE A 944 23.749 43.179 16.109 1.00 12.74 C ATOM 122 CG1 ILE A 944 23.211 42.880 14.696 1.00 13.58 C ATOM 123 CG2 ILE A 944 25.126 43.820 16.050 1.00 14.06 C ATOM 124 CD1 ILE A 944 22.653 44.089 14.000 1.00 14.55 C ATOM 0 H ILE A 944 21.841 41.979 17.051 1.00 12.40 H new ATOM 0 HA ILE A 944 24.332 41.268 16.353 1.00 13.01 H new ATOM 0 HB ILE A 944 23.152 43.805 16.548 1.00 12.74 H new ATOM 0 HG12 ILE A 944 23.926 42.507 14.157 1.00 13.58 H new ATOM 0 HG13 ILE A 944 22.519 42.203 14.757 1.00 13.58 H new ATOM 0 HG21 ILE A 944 25.076 44.650 15.550 1.00 14.06 H new ATOM 0 HG22 ILE A 944 25.436 44.004 16.950 1.00 14.06 H new ATOM 0 HG23 ILE A 944 25.746 43.216 15.612 1.00 14.06 H new ATOM 0 HD11 ILE A 944 22.332 43.837 13.120 1.00 14.55 H new ATOM 0 HD12 ILE A 944 21.919 44.452 14.520 1.00 14.55 H new ATOM 0 HD13 ILE A 944 23.347 44.760 13.910 1.00 14.55 H new ATOM 125 N THR A 945 25.631 41.385 18.398 1.00 13.28 N ATOM 126 CA THR A 945 26.461 41.506 19.620 1.00 13.90 C ATOM 127 C THR A 945 27.868 41.828 19.155 1.00 15.16 C ATOM 128 O THR A 945 28.156 41.959 17.947 1.00 12.77 O ATOM 129 CB THR A 945 26.493 40.245 20.428 1.00 15.43 C ATOM 130 OG1 THR A 945 27.254 39.245 19.740 1.00 16.23 O ATOM 131 CG2 THR A 945 25.093 39.749 20.730 1.00 16.97 C ATOM 0 H THR A 945 25.935 40.834 17.812 1.00 13.28 H new ATOM 0 HA THR A 945 26.085 42.193 20.192 1.00 13.90 H new ATOM 0 HB THR A 945 26.921 40.435 21.277 1.00 15.43 H new ATOM 0 HG1 THR A 945 26.991 39.190 18.944 1.00 16.23 H new ATOM 0 HG21 THR A 945 25.144 38.934 21.253 1.00 16.97 H new ATOM 0 HG22 THR A 945 24.611 40.425 21.232 1.00 16.97 H new ATOM 0 HG23 THR A 945 24.626 39.571 19.899 1.00 16.97 H new ATOM 132 N GLY A 946 28.786 41.925 20.106 1.00 16.00 N ATOM 133 CA GLY A 946 30.134 42.186 19.672 1.00 17.75 C ATOM 134 C GLY A 946 30.758 41.050 18.895 1.00 17.67 C ATOM 135 O GLY A 946 31.673 41.293 18.156 1.00 21.93 O ATOM 0 H GLY A 946 28.658 41.848 20.953 1.00 16.00 H new ATOM 0 HA2 GLY A 946 30.138 42.984 19.120 1.00 17.75 H new ATOM 0 HA3 GLY A 946 30.684 42.375 20.449 1.00 17.75 H new ATOM 136 N ASN A 947 30.325 39.809 19.093 1.00 17.01 N ATOM 137 CA ASN A 947 30.991 38.674 18.447 1.00 19.66 C ATOM 138 C ASN A 947 30.090 37.896 17.518 1.00 18.01 C ATOM 139 O ASN A 947 30.458 36.774 17.092 1.00 19.32 O ATOM 140 CB ASN A 947 31.645 37.784 19.489 1.00 23.07 C ATOM 141 CG ASN A 947 30.663 37.043 20.409 1.00 30.72 C ATOM 142 OD1 ASN A 947 29.461 36.869 20.138 1.00 34.89 O ATOM 143 ND2 ASN A 947 31.212 36.538 21.518 1.00 37.38 N ATOM 0 H ASN A 947 29.656 39.601 19.591 1.00 17.01 H new ATOM 0 HA ASN A 947 31.684 39.040 17.875 1.00 19.66 H new ATOM 0 HB2 ASN A 947 32.200 37.130 19.036 1.00 23.07 H new ATOM 0 HB3 ASN A 947 32.235 38.327 20.036 1.00 23.07 H new ATOM 0 HD21 ASN A 947 30.732 36.080 22.065 1.00 37.38 H new ATOM 0 HD22 ASN A 947 32.045 36.671 21.684 1.00 37.38 H new ATOM 144 N GLU A 948 28.856 38.386 17.291 1.00 15.00 N ATOM 145 CA GLU A 948 27.969 37.603 16.389 1.00 14.21 C ATOM 146 C GLU A 948 26.812 38.429 15.903 1.00 12.09 C ATOM 147 O GLU A 948 26.477 39.455 16.456 1.00 12.25 O ATOM 148 CB GLU A 948 27.431 36.340 17.004 1.00 16.21 C ATOM 149 CG GLU A 948 26.357 36.487 18.010 1.00 20.60 C ATOM 150 CD GLU A 948 25.819 35.164 18.549 1.00 22.41 C ATOM 151 OE1 GLU A 948 26.603 34.284 18.930 1.00 25.04 O ATOM 152 OE2 GLU A 948 24.582 35.011 18.612 1.00 21.61 O ATOM 0 H GLU A 948 28.528 39.111 17.618 1.00 15.00 H new ATOM 0 HA GLU A 948 28.540 37.349 15.647 1.00 14.21 H new ATOM 0 HB2 GLU A 948 27.099 35.774 16.289 1.00 16.21 H new ATOM 0 HB3 GLU A 948 28.170 35.868 17.419 1.00 16.21 H new ATOM 0 HG2 GLU A 948 26.693 37.014 18.752 1.00 20.60 H new ATOM 0 HG3 GLU A 948 25.624 36.986 17.616 1.00 20.60 H new ATOM 153 N VAL A 949 26.247 37.991 14.771 1.00 10.14 N ATOM 154 CA VAL A 949 24.934 38.489 14.307 1.00 9.66 C ATOM 155 C VAL A 949 24.183 37.277 13.923 1.00 9.80 C ATOM 156 O VAL A 949 24.772 36.188 13.644 1.00 10.20 O ATOM 157 CB VAL A 949 24.996 39.470 13.101 1.00 10.06 C ATOM 158 CG1 VAL A 949 25.980 40.622 13.380 1.00 11.21 C ATOM 159 CG2 VAL A 949 25.415 38.778 11.821 1.00 11.54 C ATOM 0 H VAL A 949 26.605 37.405 14.254 1.00 10.14 H new ATOM 0 HA VAL A 949 24.522 39.007 15.016 1.00 9.66 H new ATOM 0 HB VAL A 949 24.098 39.818 12.987 1.00 10.06 H new ATOM 0 HG11 VAL A 949 26.003 41.220 12.617 1.00 11.21 H new ATOM 0 HG12 VAL A 949 25.691 41.112 14.166 1.00 11.21 H new ATOM 0 HG13 VAL A 949 26.867 40.260 13.533 1.00 11.21 H new ATOM 0 HG21 VAL A 949 25.441 39.423 11.097 1.00 11.54 H new ATOM 0 HG22 VAL A 949 26.295 38.388 11.937 1.00 11.54 H new ATOM 0 HG23 VAL A 949 24.778 38.079 11.607 1.00 11.54 H new ATOM 160 N THR A 950 22.843 37.412 13.826 1.00 9.53 N ATOM 161 CA THR A 950 22.012 36.310 13.349 1.00 10.02 C ATOM 162 C THR A 950 21.341 36.695 12.053 1.00 9.78 C ATOM 163 O THR A 950 20.642 37.686 11.989 1.00 10.52 O ATOM 164 CB THR A 950 20.960 35.893 14.374 1.00 11.81 C ATOM 165 OG1 THR A 950 21.649 35.350 15.529 1.00 13.35 O ATOM 166 CG2 THR A 950 20.027 34.824 13.783 1.00 13.58 C ATOM 0 H THR A 950 22.411 38.127 14.031 1.00 9.53 H new ATOM 0 HA THR A 950 22.596 35.549 13.205 1.00 10.02 H new ATOM 0 HB THR A 950 20.423 36.661 14.624 1.00 11.81 H new ATOM 0 HG1 THR A 950 22.026 35.972 15.948 1.00 13.35 H new ATOM 0 HG21 THR A 950 19.365 34.570 14.445 1.00 13.58 H new ATOM 0 HG22 THR A 950 19.580 35.182 13.000 1.00 13.58 H new ATOM 0 HG23 THR A 950 20.546 34.045 13.530 1.00 13.58 H new ATOM 167 N ILE A 951 21.564 35.900 11.017 1.00 8.78 N ATOM 168 CA ILE A 951 20.746 36.022 9.778 1.00 8.76 C ATOM 169 C ILE A 951 19.461 35.295 10.035 1.00 8.78 C ATOM 170 O ILE A 951 19.465 34.103 10.447 1.00 8.36 O ATOM 171 CB ILE A 951 21.417 35.384 8.553 1.00 9.02 C ATOM 172 CG1 ILE A 951 22.801 36.026 8.291 1.00 8.80 C ATOM 173 CG2 ILE A 951 20.557 35.584 7.306 1.00 8.97 C ATOM 174 CD1 ILE A 951 23.634 35.302 7.263 1.00 9.36 C ATOM 0 H ILE A 951 22.169 35.289 10.993 1.00 8.78 H new ATOM 0 HA ILE A 951 20.623 36.964 9.581 1.00 8.76 H new ATOM 0 HB ILE A 951 21.521 34.437 8.738 1.00 9.02 H new ATOM 0 HG12 ILE A 951 22.671 36.942 8.000 1.00 8.80 H new ATOM 0 HG13 ILE A 951 23.294 36.060 9.126 1.00 8.80 H new ATOM 0 HG21 ILE A 951 20.994 35.176 6.542 1.00 8.97 H new ATOM 0 HG22 ILE A 951 19.690 35.170 7.441 1.00 8.97 H new ATOM 0 HG23 ILE A 951 20.440 36.533 7.142 1.00 8.97 H new ATOM 0 HD11 ILE A 951 24.482 35.760 7.153 1.00 9.36 H new ATOM 0 HD12 ILE A 951 23.794 34.392 7.559 1.00 9.36 H new ATOM 0 HD13 ILE A 951 23.162 35.288 6.416 1.00 9.36 H new ATOM 175 N PHE A 952 18.331 35.969 9.769 1.00 7.92 N ATOM 176 CA PHE A 952 17.041 35.334 9.996 1.00 8.45 C ATOM 177 C PHE A 952 16.227 35.375 8.723 1.00 7.78 C ATOM 178 O PHE A 952 16.352 36.259 7.902 1.00 8.18 O ATOM 179 CB PHE A 952 16.252 35.954 11.119 1.00 7.95 C ATOM 180 CG PHE A 952 15.648 37.307 10.801 1.00 8.16 C ATOM 181 CD1 PHE A 952 16.424 38.460 10.913 1.00 7.95 C ATOM 182 CD2 PHE A 952 14.337 37.431 10.365 1.00 8.71 C ATOM 183 CE1 PHE A 952 15.869 39.709 10.660 1.00 8.43 C ATOM 184 CE2 PHE A 952 13.766 38.680 10.067 1.00 8.56 C ATOM 185 CZ PHE A 952 14.522 39.825 10.228 1.00 8.07 C ATOM 0 H PHE A 952 18.297 36.773 9.465 1.00 7.92 H new ATOM 0 HA PHE A 952 17.225 34.419 10.260 1.00 8.45 H new ATOM 0 HB2 PHE A 952 15.539 35.346 11.370 1.00 7.95 H new ATOM 0 HB3 PHE A 952 16.831 36.046 11.892 1.00 7.95 H new ATOM 0 HD1 PHE A 952 17.318 38.393 11.159 1.00 7.95 H new ATOM 0 HD2 PHE A 952 13.820 36.664 10.267 1.00 8.71 H new ATOM 0 HE1 PHE A 952 16.384 40.475 10.775 1.00 8.43 H new ATOM 0 HE2 PHE A 952 12.888 38.735 9.765 1.00 8.56 H new ATOM 0 HZ PHE A 952 14.153 40.661 10.056 1.00 8.07 H new ATOM 186 N PHE A 953 15.331 34.416 8.630 1.00 7.34 N ATOM 187 CA PHE A 953 14.383 34.278 7.488 1.00 7.17 C ATOM 188 C PHE A 953 13.051 33.770 8.046 1.00 7.33 C ATOM 189 O PHE A 953 12.976 32.692 8.646 1.00 8.14 O ATOM 190 CB PHE A 953 14.966 33.304 6.466 1.00 7.23 C ATOM 191 CG PHE A 953 14.153 33.193 5.174 1.00 7.53 C ATOM 192 CD1 PHE A 953 14.456 34.012 4.098 1.00 7.43 C ATOM 193 CD2 PHE A 953 13.075 32.316 5.082 1.00 7.92 C ATOM 194 CE1 PHE A 953 13.728 33.963 2.916 1.00 8.35 C ATOM 195 CE2 PHE A 953 12.369 32.262 3.933 1.00 8.46 C ATOM 196 CZ PHE A 953 12.658 33.075 2.872 1.00 8.29 C ATOM 0 H PHE A 953 15.237 33.805 9.228 1.00 7.34 H new ATOM 0 HA PHE A 953 14.240 35.127 7.041 1.00 7.17 H new ATOM 0 HB2 PHE A 953 15.869 33.583 6.246 1.00 7.23 H new ATOM 0 HB3 PHE A 953 15.032 32.425 6.872 1.00 7.23 H new ATOM 0 HD1 PHE A 953 15.165 34.610 4.169 1.00 7.43 H new ATOM 0 HD2 PHE A 953 12.845 31.775 5.803 1.00 7.92 H new ATOM 0 HE1 PHE A 953 13.946 34.499 2.188 1.00 8.35 H new ATOM 0 HE2 PHE A 953 11.667 31.656 3.861 1.00 8.46 H new ATOM 0 HZ PHE A 953 12.130 33.034 2.108 1.00 8.29 H new ATOM 197 N ALA A 954 12.022 34.592 7.949 1.00 7.46 N ATOM 198 CA ALA A 954 10.720 34.330 8.580 1.00 7.47 C ATOM 199 C ALA A 954 9.676 34.285 7.467 1.00 7.83 C ATOM 200 O ALA A 954 9.097 35.310 7.062 1.00 7.88 O ATOM 201 CB ALA A 954 10.407 35.435 9.602 1.00 7.64 C ATOM 0 H ALA A 954 12.051 35.331 7.511 1.00 7.46 H new ATOM 0 HA ALA A 954 10.722 33.487 9.060 1.00 7.47 H new ATOM 0 HB1 ALA A 954 9.548 35.259 10.016 1.00 7.64 H new ATOM 0 HB2 ALA A 954 11.097 35.450 10.284 1.00 7.64 H new ATOM 0 HB3 ALA A 954 10.379 36.294 9.152 1.00 7.64 H new ATOM 202 N PRO A 955 9.409 33.089 6.933 1.00 7.45 N ATOM 203 CA PRO A 955 8.521 33.009 5.795 1.00 8.06 C ATOM 204 C PRO A 955 7.074 33.142 6.196 1.00 7.43 C ATOM 205 O PRO A 955 6.688 32.814 7.299 1.00 8.56 O ATOM 206 CB PRO A 955 8.822 31.629 5.192 1.00 7.74 C ATOM 207 CG PRO A 955 9.137 30.836 6.447 1.00 7.99 C ATOM 208 CD PRO A 955 9.964 31.765 7.297 1.00 9.26 C ATOM 0 HA PRO A 955 8.664 33.731 5.163 1.00 8.06 H new ATOM 0 HB2 PRO A 955 8.064 31.266 4.707 1.00 7.74 H new ATOM 0 HB3 PRO A 955 9.569 31.652 4.574 1.00 7.74 H new ATOM 0 HG2 PRO A 955 8.326 30.568 6.906 1.00 7.99 H new ATOM 0 HG3 PRO A 955 9.625 30.024 6.237 1.00 7.99 H new ATOM 0 HD2 PRO A 955 9.864 31.577 8.243 1.00 9.26 H new ATOM 0 HD3 PRO A 955 10.910 31.699 7.093 1.00 9.26 H new ATOM 209 N THR A 956 6.267 33.674 5.301 1.00 7.73 N ATOM 210 CA THR A 956 4.823 33.790 5.511 1.00 8.60 C ATOM 211 C THR A 956 4.064 32.524 5.358 1.00 10.71 C ATOM 212 O THR A 956 2.977 32.380 5.893 1.00 13.05 O ATOM 213 CB THR A 956 4.242 34.873 4.580 1.00 8.43 C ATOM 214 OG1 THR A 956 4.660 34.634 3.237 1.00 8.72 O ATOM 215 CG2 THR A 956 4.694 36.250 5.040 1.00 8.19 C ATOM 0 H THR A 956 6.536 33.983 4.545 1.00 7.73 H new ATOM 0 HA THR A 956 4.716 34.042 6.442 1.00 8.60 H new ATOM 0 HB THR A 956 3.273 34.837 4.615 1.00 8.43 H new ATOM 0 HG1 THR A 956 4.664 35.358 2.812 1.00 8.72 H new ATOM 0 HG21 THR A 956 4.325 36.926 4.450 1.00 8.19 H new ATOM 0 HG22 THR A 956 4.383 36.407 5.945 1.00 8.19 H new ATOM 0 HG23 THR A 956 5.663 36.297 5.018 1.00 8.19 H new ATOM 216 N THR A 957 4.606 31.588 4.597 1.00 9.69 N ATOM 217 CA THR A 957 4.104 30.235 4.522 1.00 10.47 C ATOM 218 C THR A 957 5.210 29.330 5.066 1.00 10.85 C ATOM 219 O THR A 957 6.360 29.547 4.776 1.00 10.03 O ATOM 220 CB THR A 957 3.795 29.890 3.069 1.00 11.10 C ATOM 221 OG1 THR A 957 2.705 30.666 2.592 1.00 12.19 O ATOM 222 CG2 THR A 957 3.394 28.361 2.971 1.00 11.65 C ATOM 0 H THR A 957 5.293 31.728 4.099 1.00 9.69 H new ATOM 0 HA THR A 957 3.288 30.124 5.034 1.00 10.47 H new ATOM 0 HB THR A 957 4.583 30.076 2.534 1.00 11.10 H new ATOM 0 HG1 THR A 957 2.997 31.360 2.219 1.00 12.19 H new ATOM 0 HG21 THR A 957 3.196 28.137 2.048 1.00 11.65 H new ATOM 0 HG22 THR A 957 4.129 27.813 3.286 1.00 11.65 H new ATOM 0 HG23 THR A 957 2.610 28.196 3.518 1.00 11.65 H new ATOM 223 N GLU A 958 4.868 28.358 5.899 1.00 12.92 N ATOM 224 CA GLU A 958 5.841 27.396 6.451 1.00 14.48 C ATOM 225 C GLU A 958 6.688 26.782 5.331 1.00 12.49 C ATOM 226 O GLU A 958 6.157 26.466 4.318 1.00 12.08 O ATOM 227 CB GLU A 958 5.095 26.278 7.191 1.00 17.39 C ATOM 228 CG GLU A 958 5.993 25.221 7.778 1.00 23.02 C ATOM 229 CD GLU A 958 5.255 24.143 8.565 1.00 29.62 C ATOM 230 OE1 GLU A 958 4.070 24.311 8.886 1.00 31.50 O ATOM 231 OE2 GLU A 958 5.917 23.123 8.888 1.00 35.60 O ATOM 0 H GLU A 958 4.061 28.229 6.168 1.00 12.92 H new ATOM 0 HA GLU A 958 6.426 27.867 7.065 1.00 14.48 H new ATOM 0 HB2 GLU A 958 4.567 26.672 7.903 1.00 17.39 H new ATOM 0 HB3 GLU A 958 4.474 25.856 6.577 1.00 17.39 H new ATOM 0 HG2 GLU A 958 6.492 24.800 7.061 1.00 23.02 H new ATOM 0 HG3 GLU A 958 6.640 25.648 8.361 1.00 23.02 H new ATOM 232 N ALA A 959 7.995 26.716 5.572 1.00 11.56 N ATOM 233 CA ALA A 959 8.966 26.153 4.619 1.00 10.92 C ATOM 234 C ALA A 959 9.463 24.765 5.140 1.00 10.16 C ATOM 235 O ALA A 959 9.705 24.597 6.307 1.00 11.28 O ATOM 236 CB ALA A 959 10.139 27.106 4.518 1.00 10.41 C ATOM 0 H ALA A 959 8.353 26.999 6.301 1.00 11.56 H new ATOM 0 HA ALA A 959 8.554 26.035 3.749 1.00 10.92 H new ATOM 0 HB1 ALA A 959 10.791 26.752 3.893 1.00 10.41 H new ATOM 0 HB2 ALA A 959 9.828 27.970 4.205 1.00 10.41 H new ATOM 0 HB3 ALA A 959 10.550 27.207 5.391 1.00 10.41 H new ATOM 237 N ARG A 960 9.649 23.819 4.216 1.00 9.57 N ATOM 238 CA ARG A 960 10.227 22.537 4.598 1.00 11.25 C ATOM 239 C ARG A 960 11.723 22.725 4.933 1.00 11.08 C ATOM 240 O ARG A 960 12.288 22.015 5.804 1.00 12.88 O ATOM 241 CB ARG A 960 10.063 21.532 3.510 1.00 12.05 C ATOM 242 CG ARG A 960 8.627 21.042 3.324 1.00 13.95 C ATOM 243 CD ARG A 960 8.589 19.892 2.311 1.00 15.05 C ATOM 244 NE ARG A 960 8.751 20.327 0.931 1.00 17.10 N ATOM 245 CZ ARG A 960 9.613 19.800 0.076 1.00 16.99 C ATOM 246 NH1 ARG A 960 10.471 18.833 0.470 1.00 17.73 N ATOM 247 NH2 ARG A 960 9.649 20.246 -1.121 1.00 15.74 N ATOM 0 H ARG A 960 9.451 23.899 3.383 1.00 9.57 H new ATOM 0 HA ARG A 960 9.760 22.207 5.381 1.00 11.25 H new ATOM 0 HB2 ARG A 960 10.373 21.919 2.676 1.00 12.05 H new ATOM 0 HB3 ARG A 960 10.633 20.770 3.698 1.00 12.05 H new ATOM 0 HG2 ARG A 960 8.266 20.745 4.174 1.00 13.95 H new ATOM 0 HG3 ARG A 960 8.066 21.771 3.017 1.00 13.95 H new ATOM 0 HD2 ARG A 960 9.290 19.257 2.527 1.00 15.05 H new ATOM 0 HD3 ARG A 960 7.745 19.422 2.397 1.00 15.05 H new ATOM 0 HE ARG A 960 8.253 20.970 0.652 1.00 17.10 H new ATOM 0 HH11 ARG A 960 10.460 18.554 1.283 1.00 17.73 H new ATOM 0 HH12 ARG A 960 11.028 18.497 -0.093 1.00 17.73 H new ATOM 0 HH21 ARG A 960 9.118 20.879 -1.360 1.00 15.74 H new ATOM 0 HH22 ARG A 960 10.204 19.913 -1.687 1.00 15.74 H new ATOM 248 N TYR A 961 12.350 23.700 4.303 1.00 10.17 N ATOM 249 CA TYR A 961 13.768 23.997 4.508 1.00 9.65 C ATOM 250 C TYR A 961 14.074 25.382 3.974 1.00 9.08 C ATOM 251 O TYR A 961 13.372 25.884 3.075 1.00 8.60 O ATOM 252 CB TYR A 961 14.662 22.996 3.774 1.00 10.66 C ATOM 253 CG TYR A 961 14.482 22.885 2.294 1.00 10.43 C ATOM 254 CD1 TYR A 961 15.157 23.701 1.412 1.00 10.19 C ATOM 255 CD2 TYR A 961 13.591 21.974 1.745 1.00 10.60 C ATOM 256 CE1 TYR A 961 14.956 23.605 0.035 1.00 10.99 C ATOM 257 CE2 TYR A 961 13.417 21.847 0.348 1.00 10.77 C ATOM 258 CZ TYR A 961 14.084 22.652 -0.491 1.00 10.81 C ATOM 259 OH TYR A 961 13.877 22.570 -1.859 1.00 11.79 O ATOM 0 H TYR A 961 11.965 24.219 3.735 1.00 10.17 H new ATOM 0 HA TYR A 961 13.947 23.942 5.460 1.00 9.65 H new ATOM 0 HB2 TYR A 961 15.586 23.233 3.949 1.00 10.66 H new ATOM 0 HB3 TYR A 961 14.515 22.119 4.162 1.00 10.66 H new ATOM 0 HD1 TYR A 961 15.759 24.329 1.742 1.00 10.19 H new ATOM 0 HD2 TYR A 961 13.094 21.431 2.313 1.00 10.60 H new ATOM 0 HE1 TYR A 961 15.408 24.182 -0.538 1.00 10.99 H new ATOM 0 HE2 TYR A 961 12.838 21.203 0.010 1.00 10.77 H new ATOM 0 HH TYR A 961 14.561 22.842 -2.263 1.00 11.79 H new ATOM 260 N VAL A 962 15.121 25.967 4.545 1.00 8.68 N ATOM 261 CA VAL A 962 15.688 27.234 3.968 1.00 8.74 C ATOM 262 C VAL A 962 17.203 27.120 4.080 1.00 8.39 C ATOM 263 O VAL A 962 17.717 26.781 5.128 1.00 9.02 O ATOM 264 CB VAL A 962 15.225 28.456 4.785 1.00 9.16 C ATOM 265 CG1 VAL A 962 15.784 29.689 4.171 1.00 9.48 C ATOM 266 CG2 VAL A 962 13.714 28.526 4.812 1.00 9.80 C ATOM 0 H VAL A 962 15.523 25.674 5.247 1.00 8.68 H new ATOM 0 HA VAL A 962 15.394 27.350 3.051 1.00 8.74 H new ATOM 0 HB VAL A 962 15.543 28.374 5.698 1.00 9.16 H new ATOM 0 HG11 VAL A 962 15.497 30.463 4.680 1.00 9.48 H new ATOM 0 HG12 VAL A 962 16.753 29.642 4.174 1.00 9.48 H new ATOM 0 HG13 VAL A 962 15.468 29.768 3.257 1.00 9.48 H new ATOM 0 HG21 VAL A 962 13.435 29.298 5.328 1.00 9.80 H new ATOM 0 HG22 VAL A 962 13.377 28.605 3.906 1.00 9.80 H new ATOM 0 HG23 VAL A 962 13.360 27.720 5.219 1.00 9.80 H new ATOM 267 N ASP A 963 17.890 27.365 2.960 1.00 9.24 N ATOM 268 CA ASP A 963 19.344 27.510 2.904 1.00 10.06 C ATOM 269 C ASP A 963 19.728 28.986 2.813 1.00 9.50 C ATOM 270 O ASP A 963 19.004 29.788 2.211 1.00 8.93 O ATOM 271 CB ASP A 963 19.917 26.831 1.709 1.00 11.48 C ATOM 272 CG ASP A 963 19.712 25.315 1.724 1.00 15.56 C ATOM 273 OD1 ASP A 963 19.560 24.741 2.798 1.00 15.28 O ATOM 274 OD2 ASP A 963 19.677 24.712 0.621 1.00 19.63 O ATOM 0 H ASP A 963 17.511 27.453 2.193 1.00 9.24 H new ATOM 0 HA ASP A 963 19.696 27.106 3.713 1.00 10.06 H new ATOM 0 HB2 ASP A 963 19.511 27.199 0.909 1.00 11.48 H new ATOM 0 HB3 ASP A 963 20.866 27.023 1.659 1.00 11.48 H new ATOM 275 N VAL A 964 20.859 29.327 3.440 1.00 8.51 N ATOM 276 CA VAL A 964 21.452 30.617 3.271 1.00 9.08 C ATOM 277 C VAL A 964 22.770 30.515 2.553 1.00 9.47 C ATOM 278 O VAL A 964 23.522 29.538 2.760 1.00 11.25 O ATOM 279 CB VAL A 964 21.588 31.356 4.628 1.00 9.05 C ATOM 280 CG1 VAL A 964 22.519 30.641 5.604 1.00 8.86 C ATOM 281 CG2 VAL A 964 22.004 32.789 4.423 1.00 9.73 C ATOM 0 H VAL A 964 21.290 28.805 3.971 1.00 8.51 H new ATOM 0 HA VAL A 964 20.861 31.149 2.716 1.00 9.08 H new ATOM 0 HB VAL A 964 20.709 31.349 5.037 1.00 9.05 H new ATOM 0 HG11 VAL A 964 22.568 31.144 6.432 1.00 8.86 H new ATOM 0 HG12 VAL A 964 22.177 29.752 5.785 1.00 8.86 H new ATOM 0 HG13 VAL A 964 23.405 30.573 5.215 1.00 8.86 H new ATOM 0 HG21 VAL A 964 22.082 33.230 5.284 1.00 9.73 H new ATOM 0 HG22 VAL A 964 22.860 32.816 3.967 1.00 9.73 H new ATOM 0 HG23 VAL A 964 21.338 33.246 3.886 1.00 9.73 H new ATOM 282 N HIS A 965 23.021 31.476 1.688 1.00 8.99 N ATOM 283 CA HIS A 965 24.273 31.600 0.864 1.00 9.80 C ATOM 284 C HIS A 965 24.922 32.879 1.360 1.00 10.39 C ATOM 285 O HIS A 965 24.239 33.904 1.466 1.00 11.24 O ATOM 286 CB HIS A 965 23.920 31.735 -0.605 1.00 10.15 C ATOM 287 CG HIS A 965 22.881 30.760 -1.053 1.00 9.99 C ATOM 288 ND1 HIS A 965 23.094 29.386 -1.058 1.00 10.43 N ATOM 289 CD2 HIS A 965 21.595 30.928 -1.396 1.00 10.72 C ATOM 290 CE1 HIS A 965 21.984 28.769 -1.413 1.00 10.73 C ATOM 291 NE2 HIS A 965 21.060 29.676 -1.640 1.00 12.58 N ATOM 0 H HIS A 965 22.462 32.112 1.539 1.00 8.99 H new ATOM 0 HA HIS A 965 24.853 30.827 0.949 1.00 9.80 H new ATOM 0 HB2 HIS A 965 23.604 32.636 -0.774 1.00 10.15 H new ATOM 0 HB3 HIS A 965 24.722 31.611 -1.137 1.00 10.15 H new ATOM 0 HD1 HIS A 965 23.836 28.998 -0.860 1.00 10.43 H new ATOM 0 HD2 HIS A 965 21.145 31.739 -1.458 1.00 10.72 H new ATOM 0 HE1 HIS A 965 21.874 27.849 -1.490 1.00 10.73 H new ATOM 292 N LEU A 966 26.207 32.829 1.784 1.00 10.37 N ATOM 293 CA LEU A 966 26.815 34.047 2.338 1.00 11.07 C ATOM 294 C LEU A 966 28.238 34.219 1.902 1.00 12.15 C ATOM 295 O LEU A 966 28.933 33.244 1.573 1.00 12.71 O ATOM 296 CB LEU A 966 26.619 34.128 3.839 1.00 12.56 C ATOM 297 CG LEU A 966 27.248 33.046 4.715 1.00 12.52 C ATOM 298 CD1 LEU A 966 28.688 33.442 4.970 1.00 13.68 C ATOM 299 CD2 LEU A 966 26.453 32.869 6.024 1.00 12.44 C ATOM 0 H LEU A 966 26.714 32.135 1.759 1.00 10.37 H new ATOM 0 HA LEU A 966 26.345 34.810 1.966 1.00 11.07 H new ATOM 0 HB2 LEU A 966 26.963 34.985 4.136 1.00 12.56 H new ATOM 0 HB3 LEU A 966 25.665 34.130 4.012 1.00 12.56 H new ATOM 0 HG LEU A 966 27.225 32.185 4.268 1.00 12.52 H new ATOM 0 HD11 LEU A 966 29.115 32.771 5.526 1.00 13.68 H new ATOM 0 HD12 LEU A 966 29.160 33.509 4.125 1.00 13.68 H new ATOM 0 HD13 LEU A 966 28.713 34.300 5.423 1.00 13.68 H new ATOM 0 HD21 LEU A 966 26.868 32.179 6.564 1.00 12.44 H new ATOM 0 HD22 LEU A 966 26.449 33.705 6.516 1.00 12.44 H new ATOM 0 HD23 LEU A 966 25.541 32.612 5.817 1.00 12.44 H new ATOM 300 N LYS A 967 28.648 35.475 1.898 1.00 13.39 N ATOM 301 CA LYS A 967 30.064 35.814 1.699 1.00 16.19 C ATOM 302 C LYS A 967 30.401 36.963 2.580 1.00 15.95 C ATOM 303 O LYS A 967 29.594 37.862 2.800 1.00 14.37 O ATOM 304 CB LYS A 967 30.262 36.336 0.287 1.00 19.42 C ATOM 305 CG LYS A 967 29.982 35.418 -0.842 1.00 26.23 C ATOM 306 CD LYS A 967 29.874 36.260 -2.124 1.00 26.48 C ATOM 307 CE LYS A 967 29.654 35.342 -3.277 1.00 31.83 C ATOM 308 NZ LYS A 967 30.019 35.963 -4.580 1.00 34.98 N ATOM 0 H LYS A 967 28.130 36.152 2.008 1.00 13.39 H new ATOM 0 HA LYS A 967 30.602 35.027 1.878 1.00 16.19 H new ATOM 0 HB2 LYS A 967 29.700 37.119 0.179 1.00 19.42 H new ATOM 0 HB3 LYS A 967 31.182 36.633 0.207 1.00 19.42 H new ATOM 0 HG2 LYS A 967 30.689 34.760 -0.927 1.00 26.23 H new ATOM 0 HG3 LYS A 967 29.158 34.930 -0.686 1.00 26.23 H new ATOM 0 HD2 LYS A 967 29.141 36.891 -2.052 1.00 26.48 H new ATOM 0 HD3 LYS A 967 30.683 36.778 -2.256 1.00 26.48 H new ATOM 0 HE2 LYS A 967 30.178 34.536 -3.149 1.00 31.83 H new ATOM 0 HE3 LYS A 967 28.722 35.074 -3.300 1.00 31.83 H new ATOM 0 HZ1 LYS A 967 29.689 35.473 -5.246 1.00 34.98 H new ATOM 0 HZ2 LYS A 967 29.681 36.785 -4.622 1.00 34.98 H new ATOM 0 HZ3 LYS A 967 30.905 36.003 -4.652 1.00 34.98 H new ATOM 309 N VAL A 968 31.659 37.034 3.008 1.00 15.85 N ATOM 310 CA VAL A 968 32.105 38.115 3.848 1.00 17.54 C ATOM 311 C VAL A 968 33.261 38.842 3.119 1.00 18.33 C ATOM 312 O VAL A 968 34.201 38.156 2.708 1.00 19.20 O ATOM 313 CB VAL A 968 32.617 37.586 5.169 1.00 17.79 C ATOM 314 CG1 VAL A 968 33.173 38.759 5.989 1.00 18.85 C ATOM 315 CG2 VAL A 968 31.556 36.826 5.968 1.00 19.94 C ATOM 0 H VAL A 968 32.267 36.457 2.816 1.00 15.85 H new ATOM 0 HA VAL A 968 31.365 38.717 4.021 1.00 17.54 H new ATOM 0 HB VAL A 968 33.316 36.942 4.978 1.00 17.79 H new ATOM 0 HG11 VAL A 968 33.505 38.431 6.840 1.00 18.85 H new ATOM 0 HG12 VAL A 968 33.897 39.181 5.501 1.00 18.85 H new ATOM 0 HG13 VAL A 968 32.469 39.407 6.145 1.00 18.85 H new ATOM 0 HG21 VAL A 968 31.941 36.512 6.801 1.00 19.94 H new ATOM 0 HG22 VAL A 968 30.810 37.416 6.159 1.00 19.94 H new ATOM 0 HG23 VAL A 968 31.243 36.067 5.451 1.00 19.94 H new ATOM 316 N ASN A 969 33.154 40.163 2.970 1.00 19.12 N ATOM 317 CA ASN A 969 34.156 41.014 2.217 1.00 21.71 C ATOM 318 C ASN A 969 34.484 40.364 0.865 1.00 25.32 C ATOM 319 O ASN A 969 35.662 40.256 0.439 1.00 26.02 O ATOM 320 CB ASN A 969 35.409 41.173 3.070 1.00 23.47 C ATOM 321 CG ASN A 969 35.129 41.852 4.412 1.00 22.92 C ATOM 322 OD1 ASN A 969 34.333 42.770 4.454 1.00 26.03 O ATOM 323 ND2 ASN A 969 35.692 41.344 5.496 1.00 24.38 N ATOM 0 H ASN A 969 32.501 40.616 3.297 1.00 19.12 H new ATOM 0 HA ASN A 969 33.783 41.892 2.041 1.00 21.71 H new ATOM 0 HB2 ASN A 969 35.800 40.300 3.229 1.00 23.47 H new ATOM 0 HB3 ASN A 969 36.065 41.693 2.580 1.00 23.47 H new ATOM 0 HD21 ASN A 969 35.499 41.664 6.271 1.00 24.38 H new ATOM 0 HD22 ASN A 969 36.251 40.694 5.426 1.00 24.38 H new ATOM 324 N ASN A 970 33.431 39.934 0.186 1.00 23.38 N ATOM 325 CA ASN A 970 33.504 39.363 -1.147 1.00 24.14 C ATOM 326 C ASN A 970 34.391 38.122 -1.222 1.00 22.83 C ATOM 327 O ASN A 970 34.999 37.837 -2.275 1.00 22.57 O ATOM 328 CB ASN A 970 33.921 40.422 -2.204 1.00 24.20 C ATOM 329 CG ASN A 970 33.574 39.982 -3.618 1.00 27.20 C ATOM 330 OD1 ASN A 970 32.500 39.451 -3.872 1.00 27.97 O ATOM 331 ND2 ASN A 970 34.503 40.179 -4.553 1.00 28.61 N ATOM 0 H ASN A 970 32.630 39.968 0.498 1.00 23.38 H new ATOM 0 HA ASN A 970 32.605 39.068 -1.359 1.00 24.14 H new ATOM 0 HB2 ASN A 970 33.479 41.263 -2.010 1.00 24.20 H new ATOM 0 HB3 ASN A 970 34.876 40.582 -2.141 1.00 24.20 H new ATOM 0 HD21 ASN A 970 34.357 39.931 -5.363 1.00 28.61 H new ATOM 0 HD22 ASN A 970 35.248 40.555 -4.346 1.00 28.61 H new ATOM 332 N GLY A 971 34.464 37.377 -0.137 1.00 21.60 N ATOM 333 CA GLY A 971 35.179 36.147 -0.136 1.00 20.70 C ATOM 334 C GLY A 971 34.393 35.022 -0.796 1.00 18.92 C ATOM 335 O GLY A 971 33.344 35.234 -1.493 1.00 16.99 O ATOM 0 H GLY A 971 34.097 37.579 0.614 1.00 21.60 H new ATOM 0 HA2 GLY A 971 36.023 36.265 -0.600 1.00 20.70 H new ATOM 0 HA3 GLY A 971 35.390 35.899 0.778 1.00 20.70 H new ATOM 336 N GLN A 972 34.812 33.823 -0.464 1.00 18.10 N ATOM 337 CA GLN A 972 34.183 32.617 -1.019 1.00 19.92 C ATOM 338 C GLN A 972 32.760 32.430 -0.497 1.00 16.87 C ATOM 339 O GLN A 972 32.504 32.717 0.683 1.00 20.59 O ATOM 340 CB GLN A 972 34.923 31.367 -0.563 1.00 20.95 C ATOM 0 H GLN A 972 35.460 33.671 0.081 1.00 18.10 H new ATOM 0 HA GLN A 972 34.200 32.733 -1.982 1.00 19.92 H new ATOM 341 N GLN A 973 31.874 31.942 -1.354 1.00 17.20 N ATOM 342 CA GLN A 973 30.516 31.710 -0.968 1.00 14.47 C ATOM 343 C GLN A 973 30.403 30.457 -0.135 1.00 15.73 C ATOM 344 O GLN A 973 30.919 29.410 -0.558 1.00 14.97 O ATOM 345 CB GLN A 973 29.659 31.571 -2.185 1.00 13.63 C ATOM 346 CG GLN A 973 28.164 31.360 -1.850 1.00 14.44 C ATOM 347 CD GLN A 973 27.300 31.341 -3.073 1.00 14.10 C ATOM 348 OE1 GLN A 973 27.532 32.073 -4.012 1.00 17.04 O ATOM 349 NE2 GLN A 973 26.283 30.496 -3.073 1.00 15.99 N ATOM 0 H GLN A 973 32.053 31.740 -2.171 1.00 17.20 H new ATOM 0 HA GLN A 973 30.217 32.466 -0.440 1.00 14.47 H new ATOM 0 HB2 GLN A 973 29.753 32.365 -2.733 1.00 13.63 H new ATOM 0 HB3 GLN A 973 29.976 30.822 -2.714 1.00 13.63 H new ATOM 0 HG2 GLN A 973 28.058 30.524 -1.370 1.00 14.44 H new ATOM 0 HG3 GLN A 973 27.865 32.067 -1.257 1.00 14.44 H new ATOM 0 HE21 GLN A 973 26.145 29.990 -2.392 1.00 15.99 H new ATOM 0 HE22 GLN A 973 25.760 30.453 -3.754 1.00 15.99 H new ATOM 350 N LEU A 974 29.697 30.563 0.981 1.00 12.79 N ATOM 351 CA LEU A 974 29.461 29.485 1.907 1.00 13.76 C ATOM 352 C LEU A 974 27.958 29.254 1.939 1.00 12.93 C ATOM 353 O LEU A 974 27.213 30.215 1.897 1.00 11.84 O ATOM 354 CB LEU A 974 29.944 29.925 3.259 1.00 15.07 C ATOM 355 CG LEU A 974 31.423 30.283 3.308 1.00 17.30 C ATOM 356 CD1 LEU A 974 31.776 30.916 4.658 1.00 19.45 C ATOM 357 CD2 LEU A 974 32.219 29.038 3.090 1.00 20.01 C ATOM 0 H LEU A 974 29.329 31.301 1.224 1.00 12.79 H new ATOM 0 HA LEU A 974 29.921 28.670 1.652 1.00 13.76 H new ATOM 0 HB2 LEU A 974 29.426 30.695 3.542 1.00 15.07 H new ATOM 0 HB3 LEU A 974 29.772 29.217 3.899 1.00 15.07 H new ATOM 0 HG LEU A 974 31.628 30.930 2.615 1.00 17.30 H new ATOM 0 HD11 LEU A 974 32.720 31.138 4.674 1.00 19.45 H new ATOM 0 HD12 LEU A 974 31.252 31.722 4.784 1.00 19.45 H new ATOM 0 HD13 LEU A 974 31.580 30.288 5.371 1.00 19.45 H new ATOM 0 HD21 LEU A 974 33.165 29.250 3.118 1.00 20.01 H new ATOM 0 HD22 LEU A 974 32.011 28.395 3.786 1.00 20.01 H new ATOM 0 HD23 LEU A 974 31.998 28.660 2.224 1.00 20.01 H new ATOM 358 N ASN A 975 27.539 28.007 1.909 1.00 11.85 N ATOM 359 CA ASN A 975 26.152 27.607 1.889 1.00 11.55 C ATOM 360 C ASN A 975 25.791 26.760 3.113 1.00 12.35 C ATOM 361 O ASN A 975 26.474 25.753 3.415 1.00 13.95 O ATOM 362 CB ASN A 975 25.836 26.855 0.616 1.00 12.62 C ATOM 363 CG ASN A 975 26.331 27.615 -0.597 1.00 13.47 C ATOM 364 OD1 ASN A 975 25.814 28.687 -0.924 1.00 14.26 O ATOM 365 ND2 ASN A 975 27.404 27.125 -1.207 1.00 16.16 N ATOM 0 H ASN A 975 28.081 27.339 1.899 1.00 11.85 H new ATOM 0 HA ASN A 975 25.614 28.413 1.919 1.00 11.55 H new ATOM 0 HB2 ASN A 975 26.249 25.978 0.643 1.00 12.62 H new ATOM 0 HB3 ASN A 975 24.878 26.716 0.547 1.00 12.62 H new ATOM 0 HD21 ASN A 975 27.765 27.558 -1.856 1.00 16.16 H new ATOM 0 HD22 ASN A 975 27.738 26.374 -0.953 1.00 16.16 H new ATOM 366 N TYR A 976 24.677 27.095 3.783 1.00 11.29 N ATOM 367 CA TYR A 976 24.310 26.416 5.003 1.00 10.75 C ATOM 368 C TYR A 976 22.808 26.194 5.032 1.00 11.27 C ATOM 369 O TYR A 976 22.029 27.053 4.596 1.00 10.64 O ATOM 370 CB TYR A 976 24.669 27.189 6.253 1.00 11.51 C ATOM 371 CG TYR A 976 26.107 27.578 6.410 1.00 11.53 C ATOM 372 CD1 TYR A 976 27.046 26.664 6.896 1.00 11.22 C ATOM 373 CD2 TYR A 976 26.577 28.813 6.008 1.00 12.17 C ATOM 374 CE1 TYR A 976 28.378 27.014 7.017 1.00 12.64 C ATOM 375 CE2 TYR A 976 27.884 29.197 6.181 1.00 12.65 C ATOM 376 CZ TYR A 976 28.810 28.296 6.708 1.00 12.64 C ATOM 377 OH TYR A 976 30.157 28.616 6.799 1.00 15.41 O ATOM 0 H TYR A 976 24.131 27.713 3.537 1.00 11.29 H new ATOM 0 HA TYR A 976 24.807 25.583 5.003 1.00 10.75 H new ATOM 0 HB2 TYR A 976 24.132 27.997 6.275 1.00 11.51 H new ATOM 0 HB3 TYR A 976 24.413 26.657 7.023 1.00 11.51 H new ATOM 0 HD1 TYR A 976 26.771 25.810 7.141 1.00 11.22 H new ATOM 0 HD2 TYR A 976 25.986 29.407 5.605 1.00 12.17 H new ATOM 0 HE1 TYR A 976 28.993 26.381 7.310 1.00 12.64 H new ATOM 0 HE2 TYR A 976 28.152 30.056 5.947 1.00 12.65 H new ATOM 0 HH TYR A 976 30.619 27.932 6.643 1.00 15.41 H new ATOM 378 N ARG A 977 22.394 25.041 5.540 1.00 10.96 N ATOM 379 CA ARG A 977 21.004 24.829 5.927 1.00 11.34 C ATOM 380 C ARG A 977 20.783 25.603 7.190 1.00 11.36 C ATOM 381 O ARG A 977 21.497 25.379 8.195 1.00 11.87 O ATOM 382 CB ARG A 977 20.709 23.311 6.063 1.00 10.97 C ATOM 383 CG ARG A 977 19.318 22.984 6.575 1.00 12.80 C ATOM 384 CD ARG A 977 18.232 23.366 5.604 1.00 13.69 C ATOM 385 NE ARG A 977 18.349 22.767 4.272 1.00 14.93 N ATOM 386 CZ ARG A 977 18.022 21.503 3.987 1.00 15.84 C ATOM 387 NH1 ARG A 977 17.510 20.727 4.892 1.00 17.30 N ATOM 388 NH2 ARG A 977 18.183 21.048 2.781 1.00 17.78 N ATOM 0 H ARG A 977 22.906 24.362 5.670 1.00 10.96 H new ATOM 0 HA ARG A 977 20.382 25.148 5.254 1.00 11.34 H new ATOM 0 HB2 ARG A 977 20.830 22.891 5.197 1.00 10.97 H new ATOM 0 HB3 ARG A 977 21.363 22.918 6.663 1.00 10.97 H new ATOM 0 HG2 ARG A 977 19.261 22.033 6.759 1.00 12.80 H new ATOM 0 HG3 ARG A 977 19.171 23.445 7.416 1.00 12.80 H new ATOM 0 HD2 ARG A 977 17.375 23.113 5.983 1.00 13.69 H new ATOM 0 HD3 ARG A 977 18.227 24.331 5.510 1.00 13.69 H new ATOM 0 HE ARG A 977 18.647 23.260 3.633 1.00 14.93 H new ATOM 0 HH11 ARG A 977 17.377 21.024 5.688 1.00 17.30 H new ATOM 0 HH12 ARG A 977 17.304 19.915 4.696 1.00 17.30 H new ATOM 0 HH21 ARG A 977 18.500 21.560 2.167 1.00 17.78 H new ATOM 0 HH22 ARG A 977 17.973 20.235 2.597 1.00 17.78 H new ATOM 389 N MET A 978 19.798 26.491 7.198 1.00 10.40 N ATOM 390 CA MET A 978 19.451 27.258 8.357 1.00 10.85 C ATOM 391 C MET A 978 18.795 26.345 9.382 1.00 10.90 C ATOM 392 O MET A 978 18.288 25.240 9.050 1.00 11.43 O ATOM 393 CB MET A 978 18.565 28.456 7.947 1.00 10.44 C ATOM 394 CG MET A 978 19.242 29.345 6.914 1.00 9.65 C ATOM 395 SD MET A 978 18.225 30.855 6.594 1.00 8.65 S ATOM 396 CE MET A 978 18.717 31.914 7.916 1.00 8.02 C ATOM 0 H MET A 978 19.309 26.660 6.511 1.00 10.40 H new ATOM 0 HA MET A 978 20.243 27.632 8.773 1.00 10.85 H new ATOM 0 HB2 MET A 978 17.726 28.128 7.588 1.00 10.44 H new ATOM 0 HB3 MET A 978 18.351 28.982 8.733 1.00 10.44 H new ATOM 0 HG2 MET A 978 20.123 29.602 7.228 1.00 9.65 H new ATOM 0 HG3 MET A 978 19.368 28.852 6.088 1.00 9.65 H new ATOM 0 HE1 MET A 978 18.325 32.792 7.790 1.00 8.02 H new ATOM 0 HE2 MET A 978 18.413 31.542 8.759 1.00 8.02 H new ATOM 0 HE3 MET A 978 19.684 31.991 7.927 1.00 8.02 H new ATOM 397 N THR A 979 18.777 26.821 10.610 1.00 11.42 N ATOM 398 CA THR A 979 18.120 26.146 11.725 1.00 12.93 C ATOM 399 C THR A 979 16.742 26.674 11.952 1.00 14.14 C ATOM 400 O THR A 979 16.558 27.869 12.097 1.00 13.11 O ATOM 401 CB THR A 979 18.931 26.290 12.982 1.00 15.85 C ATOM 402 OG1 THR A 979 20.249 25.742 12.732 1.00 17.95 O ATOM 403 CG2 THR A 979 18.246 25.476 14.122 1.00 17.25 C ATOM 0 H THR A 979 19.153 27.562 10.831 1.00 11.42 H new ATOM 0 HA THR A 979 18.051 25.207 11.494 1.00 12.93 H new ATOM 0 HB THR A 979 18.996 27.222 13.242 1.00 15.85 H new ATOM 0 HG1 THR A 979 20.688 26.275 12.254 1.00 17.95 H new ATOM 0 HG21 THR A 979 18.763 25.563 14.938 1.00 17.25 H new ATOM 0 HG22 THR A 979 17.350 25.817 14.270 1.00 17.25 H new ATOM 0 HG23 THR A 979 18.198 24.541 13.869 1.00 17.25 H new ATOM 404 N GLU A 980 15.755 25.789 12.029 1.00 15.27 N ATOM 405 CA GLU A 980 14.368 26.183 12.241 1.00 15.23 C ATOM 406 C GLU A 980 14.068 26.349 13.702 1.00 15.57 C ATOM 407 O GLU A 980 14.423 25.494 14.505 1.00 16.20 O ATOM 408 CB GLU A 980 13.409 25.134 11.662 1.00 15.99 C ATOM 409 CG GLU A 980 11.940 25.553 11.517 1.00 18.50 C ATOM 410 CD GLU A 980 11.064 25.275 12.731 1.00 20.07 C ATOM 411 OE1 GLU A 980 11.502 24.537 13.655 1.00 23.95 O ATOM 412 OE2 GLU A 980 9.923 25.785 12.759 1.00 23.41 O ATOM 0 H GLU A 980 15.871 24.940 11.959 1.00 15.27 H new ATOM 0 HA GLU A 980 14.240 27.031 11.788 1.00 15.23 H new ATOM 0 HB2 GLU A 980 13.738 24.873 10.788 1.00 15.99 H new ATOM 0 HB3 GLU A 980 13.445 24.346 12.226 1.00 15.99 H new ATOM 0 HG2 GLU A 980 11.907 26.503 11.323 1.00 18.50 H new ATOM 0 HG3 GLU A 980 11.562 25.094 10.751 1.00 18.50 H new ATOM 413 N ARG A 981 13.359 27.415 14.043 1.00 15.47 N ATOM 414 CA ARG A 981 12.915 27.602 15.388 1.00 18.97 C ATOM 415 C ARG A 981 11.597 28.387 15.336 1.00 18.47 C ATOM 416 O ARG A 981 11.595 29.512 14.882 1.00 15.69 O ATOM 417 CB ARG A 981 13.970 28.400 16.167 1.00 22.54 C ATOM 418 CG ARG A 981 13.697 28.599 17.657 1.00 25.71 C ATOM 419 CD ARG A 981 14.855 29.238 18.431 1.00 29.89 C ATOM 420 NE ARG A 981 15.236 30.595 17.959 1.00 31.06 N ATOM 421 CZ ARG A 981 14.618 31.743 18.284 1.00 34.32 C ATOM 422 NH1 ARG A 981 13.564 31.771 19.117 1.00 37.10 N ATOM 423 NH2 ARG A 981 15.068 32.892 17.790 1.00 32.13 N ATOM 0 H ARG A 981 13.129 28.039 13.498 1.00 15.47 H new ATOM 0 HA ARG A 981 12.783 26.749 15.831 1.00 18.97 H new ATOM 0 HB2 ARG A 981 14.825 27.952 16.070 1.00 22.54 H new ATOM 0 HB3 ARG A 981 14.059 29.273 15.754 1.00 22.54 H new ATOM 0 HG2 ARG A 981 12.908 29.154 17.759 1.00 25.71 H new ATOM 0 HG3 ARG A 981 13.492 27.739 18.055 1.00 25.71 H new ATOM 0 HD2 ARG A 981 14.613 29.290 19.369 1.00 29.89 H new ATOM 0 HD3 ARG A 981 15.630 28.657 18.370 1.00 29.89 H new ATOM 0 HE ARG A 981 15.912 30.650 17.431 1.00 31.06 H new ATOM 0 HH11 ARG A 981 13.267 31.040 19.459 1.00 37.10 H new ATOM 0 HH12 ARG A 981 13.187 32.520 19.308 1.00 37.10 H new ATOM 0 HH21 ARG A 981 15.750 32.897 17.266 1.00 32.13 H new ATOM 0 HH22 ARG A 981 14.677 33.630 17.994 1.00 32.13 H new ATOM 424 N ASN A 982 10.510 27.767 15.782 1.00 20.01 N ATOM 425 CA ASN A 982 9.197 28.422 15.847 1.00 22.89 C ATOM 426 C ASN A 982 8.774 29.068 14.583 1.00 17.75 C ATOM 427 O ASN A 982 8.254 30.197 14.574 1.00 19.69 O ATOM 428 CB ASN A 982 9.153 29.439 16.950 1.00 25.07 C ATOM 429 CG ASN A 982 9.318 28.799 18.297 1.00 30.90 C ATOM 430 OD1 ASN A 982 8.885 27.638 18.511 1.00 39.85 O ATOM 431 ND2 ASN A 982 9.966 29.529 19.221 1.00 34.79 N ATOM 0 H ASN A 982 10.508 26.952 16.057 1.00 20.01 H new ATOM 0 HA ASN A 982 8.572 27.701 16.023 1.00 22.89 H new ATOM 0 HB2 ASN A 982 9.854 30.095 16.814 1.00 25.07 H new ATOM 0 HB3 ASN A 982 8.309 29.916 16.918 1.00 25.07 H new ATOM 0 HD21 ASN A 982 10.103 29.206 20.006 1.00 34.79 H new ATOM 0 HD22 ASN A 982 10.244 30.319 19.027 1.00 34.79 H new ATOM 432 N GLY A 983 9.015 28.364 13.497 1.00 15.65 N ATOM 433 CA GLY A 983 8.543 28.851 12.195 1.00 14.38 C ATOM 434 C GLY A 983 9.461 29.856 11.495 1.00 13.92 C ATOM 435 O GLY A 983 9.112 30.314 10.376 1.00 16.50 O ATOM 0 H GLY A 983 9.440 27.616 13.479 1.00 15.65 H new ATOM 0 HA2 GLY A 983 8.417 28.089 11.608 1.00 14.38 H new ATOM 0 HA3 GLY A 983 7.673 29.262 12.317 1.00 14.38 H new ATOM 436 N AGLU A 984 10.590 30.179 12.127 0.50 12.86 N ATOM 437 N BGLU A 984 10.607 30.150 12.106 0.50 12.69 N ATOM 438 CA AGLU A 984 11.615 31.077 11.593 0.50 12.64 C ATOM 439 CA BGLU A 984 11.629 31.008 11.520 0.50 12.39 C ATOM 440 C AGLU A 984 12.809 30.221 11.309 0.50 12.21 C ATOM 441 C BGLU A 984 12.943 30.286 11.467 0.50 12.15 C ATOM 442 O AGLU A 984 12.814 29.057 11.725 0.50 12.87 O ATOM 443 O BGLU A 984 13.194 29.306 12.188 0.50 12.82 O ATOM 444 CB AGLU A 984 12.007 32.144 12.611 0.50 13.22 C ATOM 445 CB BGLU A 984 11.765 32.334 12.272 0.50 12.62 C ATOM 446 CG AGLU A 984 10.921 33.115 12.987 0.50 13.53 C ATOM 447 CG BGLU A 984 10.454 33.050 12.390 0.50 13.23 C ATOM 448 CD AGLU A 984 11.488 34.270 13.744 0.50 14.31 C ATOM 449 CD BGLU A 984 10.541 34.298 13.204 0.50 13.63 C ATOM 450 OE1AGLU A 984 11.478 35.376 13.210 0.50 15.34 O ATOM 451 OE1BGLU A 984 11.638 34.707 13.597 0.50 15.12 O ATOM 452 OE2AGLU A 984 12.043 34.095 14.851 0.50 14.48 O ATOM 453 OE2BGLU A 984 9.491 34.899 13.407 0.50 15.33 O ATOM 0 H AGLU A 984 10.787 29.870 12.905 0.50 12.69 H new ATOM 0 H BGLU A 984 10.814 29.851 12.885 0.50 12.69 H new ATOM 0 HA AGLU A 984 11.283 31.533 10.804 0.50 12.39 H new ATOM 0 HA BGLU A 984 11.351 31.223 10.616 0.50 12.39 H new ATOM 0 HB2AGLU A 984 12.316 31.701 13.417 0.50 12.62 H new ATOM 0 HB2BGLU A 984 12.122 32.167 13.158 0.50 12.62 H new ATOM 0 HB3AGLU A 984 12.758 32.645 12.257 0.50 12.62 H new ATOM 0 HB3BGLU A 984 12.402 32.902 11.812 0.50 12.62 H new ATOM 0 HG2AGLU A 984 10.474 33.434 12.187 0.50 13.23 H new ATOM 0 HG2BGLU A 984 10.131 33.271 11.502 0.50 13.23 H new ATOM 0 HG3AGLU A 984 10.251 32.666 13.526 0.50 13.23 H new ATOM 0 HG3BGLU A 984 9.801 32.454 12.789 0.50 13.23 H new ATOM 454 N TRP A 985 13.798 30.774 10.610 1.00 10.52 N ATOM 455 CA TRP A 985 15.035 30.060 10.242 1.00 10.20 C ATOM 456 C TRP A 985 16.201 31.008 10.541 1.00 10.33 C ATOM 457 O TRP A 985 16.172 32.210 10.247 1.00 10.61 O ATOM 458 CB TRP A 985 15.019 29.643 8.827 1.00 9.68 C ATOM 459 CG TRP A 985 13.916 28.724 8.473 1.00 11.02 C ATOM 460 CD1 TRP A 985 12.583 29.028 8.300 1.00 10.32 C ATOM 461 CD2 TRP A 985 14.017 27.312 8.320 1.00 12.21 C ATOM 462 NE1 TRP A 985 11.888 27.903 8.018 1.00 11.11 N ATOM 463 CE2 TRP A 985 12.729 26.829 8.082 1.00 10.88 C ATOM 464 CE3 TRP A 985 15.073 26.410 8.373 1.00 12.65 C ATOM 465 CZ2 TRP A 985 12.485 25.484 7.852 1.00 11.89 C ATOM 466 CZ3 TRP A 985 14.786 25.056 8.167 1.00 12.57 C ATOM 467 CH2 TRP A 985 13.504 24.643 7.912 1.00 11.88 C ATOM 0 H ATRP A 985 13.775 31.586 10.329 0.50 10.52 H new ATOM 0 H BTRP A 985 13.696 31.530 10.212 0.50 10.52 H new ATOM 0 HA TRP A 985 15.123 29.242 10.755 1.00 10.20 H new ATOM 0 HB2 TRP A 985 14.958 30.434 8.269 1.00 9.68 H new ATOM 0 HB3 TRP A 985 15.863 29.213 8.618 1.00 9.68 H new ATOM 0 HD1 TRP A 985 12.216 29.880 8.367 1.00 10.32 H new ATOM 0 HE1 TRP A 985 11.050 27.869 7.829 1.00 11.11 H new ATOM 0 HE3 TRP A 985 15.942 26.697 8.540 1.00 12.65 H new ATOM 0 HZ2 TRP A 985 11.627 25.181 7.660 1.00 11.89 H new ATOM 0 HZ3 TRP A 985 15.472 24.430 8.203 1.00 12.57 H new ATOM 0 HH2 TRP A 985 13.345 23.737 7.776 1.00 11.88 H new ATOM 468 N GLU A 986 17.264 30.461 11.118 1.00 9.79 N ATOM 469 CA GLU A 986 18.388 31.281 11.597 1.00 10.55 C ATOM 470 C GLU A 986 19.725 30.700 11.227 1.00 10.80 C ATOM 471 O GLU A 986 19.865 29.456 11.126 1.00 11.97 O ATOM 472 CB GLU A 986 18.376 31.362 13.112 1.00 11.79 C ATOM 473 CG GLU A 986 17.165 32.100 13.599 1.00 13.27 C ATOM 474 CD GLU A 986 17.032 32.173 15.126 1.00 17.38 C ATOM 475 OE1 GLU A 986 17.248 31.107 15.812 1.00 20.44 O ATOM 476 OE2 GLU A 986 16.618 33.269 15.610 1.00 18.92 O ATOM 0 H GLU A 986 17.361 29.616 11.245 1.00 9.79 H new ATOM 0 HA GLU A 986 18.274 32.149 11.180 1.00 10.55 H new ATOM 0 HB2 GLU A 986 18.387 30.468 13.488 1.00 11.79 H new ATOM 0 HB3 GLU A 986 19.179 31.810 13.422 1.00 11.79 H new ATOM 0 HG2 GLU A 986 17.187 33.003 13.245 1.00 13.27 H new ATOM 0 HG3 GLU A 986 16.373 31.672 13.237 1.00 13.27 H new ATOM 477 N ARG A 987 20.691 31.591 11.038 1.00 11.38 N ATOM 478 CA ARG A 987 22.098 31.221 10.931 1.00 12.20 C ATOM 479 C ARG A 987 22.898 32.311 11.676 1.00 12.03 C ATOM 480 O ARG A 987 22.894 33.467 11.294 1.00 11.57 O ATOM 481 CB ARG A 987 22.548 31.078 9.498 1.00 13.13 C ATOM 482 CG ARG A 987 24.040 30.878 9.330 1.00 15.35 C ATOM 483 CD ARG A 987 24.470 29.499 9.641 1.00 16.42 C ATOM 484 NE ARG A 987 25.949 29.451 9.650 1.00 18.51 N ATOM 485 CZ ARG A 987 26.581 28.334 9.965 1.00 17.58 C ATOM 486 NH1 ARG A 987 25.877 27.236 10.199 1.00 15.31 N ATOM 487 NH2 ARG A 987 27.914 28.342 10.020 1.00 18.23 N ATOM 0 H ARG A 987 20.547 32.436 10.967 1.00 11.38 H new ATOM 0 HA ARG A 987 22.247 30.349 11.328 1.00 12.20 H new ATOM 0 HB2 ARG A 987 22.084 30.326 9.098 1.00 13.13 H new ATOM 0 HB3 ARG A 987 22.281 31.870 9.006 1.00 13.13 H new ATOM 0 HG2 ARG A 987 24.290 31.093 8.418 1.00 15.35 H new ATOM 0 HG3 ARG A 987 24.513 31.498 9.907 1.00 15.35 H new ATOM 0 HD2 ARG A 987 24.120 29.224 10.503 1.00 16.42 H new ATOM 0 HD3 ARG A 987 24.118 28.881 8.982 1.00 16.42 H new ATOM 0 HE ARG A 987 26.400 30.155 9.449 1.00 18.51 H new ATOM 0 HH11 ARG A 987 25.019 27.256 10.145 1.00 15.31 H new ATOM 0 HH12 ARG A 987 26.278 26.504 10.405 1.00 15.31 H new ATOM 0 HH21 ARG A 987 28.347 29.066 9.852 1.00 18.23 H new ATOM 0 HH22 ARG A 987 28.340 27.623 10.224 1.00 18.23 H new ATOM 488 N VAL A 988 23.685 31.885 12.650 1.00 13.26 N ATOM 489 CA VAL A 988 24.588 32.779 13.387 1.00 14.45 C ATOM 490 C VAL A 988 25.901 32.908 12.613 1.00 15.48 C ATOM 491 O VAL A 988 26.478 31.915 12.154 1.00 17.43 O ATOM 492 CB VAL A 988 24.802 32.255 14.847 1.00 15.83 C ATOM 493 CG1 VAL A 988 25.808 33.120 15.594 1.00 17.05 C ATOM 494 CG2 VAL A 988 23.509 32.238 15.631 1.00 17.20 C ATOM 0 H VAL A 988 23.716 31.066 12.910 1.00 13.26 H new ATOM 0 HA VAL A 988 24.197 33.663 13.465 1.00 14.45 H new ATOM 0 HB VAL A 988 25.139 31.349 14.769 1.00 15.83 H new ATOM 0 HG11 VAL A 988 25.924 32.777 16.494 1.00 17.05 H new ATOM 0 HG12 VAL A 988 26.659 33.102 15.129 1.00 17.05 H new ATOM 0 HG13 VAL A 988 25.482 34.033 15.636 1.00 17.05 H new ATOM 0 HG21 VAL A 988 23.678 31.909 16.528 1.00 17.20 H new ATOM 0 HG22 VAL A 988 23.148 33.137 15.680 1.00 17.20 H new ATOM 0 HG23 VAL A 988 22.870 31.657 15.189 1.00 17.20 H new ATOM 495 N VAL A 989 26.337 34.125 12.410 1.00 12.63 N ATOM 496 CA VAL A 989 27.600 34.419 11.782 1.00 14.13 C ATOM 497 C VAL A 989 28.466 35.029 12.861 1.00 15.27 C ATOM 498 O VAL A 989 28.141 36.083 13.433 1.00 14.88 O ATOM 499 CB VAL A 989 27.460 35.397 10.640 1.00 14.68 C ATOM 500 CG1 VAL A 989 28.822 35.701 10.030 1.00 15.30 C ATOM 501 CG2 VAL A 989 26.555 34.792 9.596 1.00 14.99 C ATOM 0 H VAL A 989 25.895 34.826 12.640 1.00 12.63 H new ATOM 0 HA VAL A 989 27.979 33.609 11.406 1.00 14.13 H new ATOM 0 HB VAL A 989 27.082 36.227 10.969 1.00 14.68 H new ATOM 0 HG11 VAL A 989 28.716 36.330 9.299 1.00 15.30 H new ATOM 0 HG12 VAL A 989 29.401 36.087 10.706 1.00 15.30 H new ATOM 0 HG13 VAL A 989 29.218 34.881 9.696 1.00 15.30 H new ATOM 0 HG21 VAL A 989 26.456 35.411 8.855 1.00 14.99 H new ATOM 0 HG22 VAL A 989 26.941 33.962 9.274 1.00 14.99 H new ATOM 0 HG23 VAL A 989 25.685 34.613 9.986 1.00 14.99 H new ATOM 502 N GLU A 990 29.549 34.300 13.165 1.00 18.12 N ATOM 503 CA GLU A 990 30.429 34.720 14.291 1.00 22.53 C ATOM 504 C GLU A 990 31.623 35.499 13.827 1.00 21.27 C ATOM 505 O GLU A 990 32.090 35.382 12.686 1.00 20.94 O ATOM 506 CB GLU A 990 30.890 33.504 15.111 1.00 22.54 C ATOM 507 CG GLU A 990 29.769 32.672 15.676 1.00 26.93 C ATOM 508 CD GLU A 990 30.276 31.571 16.555 1.00 33.44 C ATOM 509 OE1 GLU A 990 30.767 30.567 16.004 1.00 36.83 O ATOM 510 OE2 GLU A 990 30.211 31.746 17.786 1.00 39.15 O ATOM 0 H GLU A 990 29.793 33.585 12.755 1.00 18.12 H new ATOM 0 HA GLU A 990 29.896 35.304 14.853 1.00 22.53 H new ATOM 0 HB2 GLU A 990 31.445 32.940 14.549 1.00 22.54 H new ATOM 0 HB3 GLU A 990 31.448 33.813 15.841 1.00 22.54 H new ATOM 0 HG2 GLU A 990 29.170 33.241 16.184 1.00 26.93 H new ATOM 0 HG3 GLU A 990 29.251 32.292 14.949 1.00 26.93 H new ATOM 511 N ASN A 991 32.071 36.397 14.691 1.00 23.12 N ATOM 512 CA ASN A 991 33.306 37.153 14.521 1.00 27.00 C ATOM 513 C ASN A 991 33.469 38.121 13.394 1.00 26.80 C ATOM 514 O ASN A 991 34.590 38.354 12.952 1.00 28.45 O ATOM 515 CB ASN A 991 34.506 36.198 14.655 1.00 28.39 C ATOM 516 CG ASN A 991 34.479 35.484 15.970 1.00 28.40 C ATOM 517 OD1 ASN A 991 34.560 34.250 16.033 1.00 32.30 O ATOM 518 ND2 ASN A 991 34.253 36.263 17.053 1.00 25.52 N ATOM 0 H ASN A 991 31.652 36.591 15.417 1.00 23.12 H new ATOM 0 HA ASN A 991 33.252 37.798 15.244 1.00 27.00 H new ATOM 0 HB2 ASN A 991 34.492 35.552 13.932 1.00 28.39 H new ATOM 0 HB3 ASN A 991 35.333 36.698 14.572 1.00 28.39 H new ATOM 0 HD21 ASN A 991 34.159 35.904 17.829 1.00 25.52 H new ATOM 0 HD22 ASN A 991 34.204 37.117 16.966 1.00 25.52 H new ATOM 519 N LEU A 992 32.375 38.755 12.949 1.00 25.69 N ATOM 520 CA LEU A 992 32.492 39.919 12.078 1.00 26.92 C ATOM 521 C LEU A 992 33.128 41.094 12.812 1.00 31.43 C ATOM 522 O LEU A 992 32.605 41.579 13.804 1.00 35.78 O ATOM 523 CB LEU A 992 31.134 40.377 11.528 1.00 27.12 C ATOM 524 CG LEU A 992 30.422 39.393 10.598 1.00 23.85 C ATOM 525 CD1 LEU A 992 28.979 39.802 10.361 1.00 22.07 C ATOM 526 CD2 LEU A 992 31.133 39.353 9.275 1.00 22.31 C ATOM 0 H LEU A 992 31.568 38.526 13.140 1.00 25.69 H new ATOM 0 HA LEU A 992 33.054 39.641 11.338 1.00 26.92 H new ATOM 0 HB2 LEU A 992 30.549 40.567 12.278 1.00 27.12 H new ATOM 0 HB3 LEU A 992 31.263 41.211 11.050 1.00 27.12 H new ATOM 0 HG LEU A 992 30.433 38.520 11.020 1.00 23.85 H new ATOM 0 HD11 LEU A 992 28.554 39.162 9.769 1.00 22.07 H new ATOM 0 HD12 LEU A 992 28.505 39.824 11.207 1.00 22.07 H new ATOM 0 HD13 LEU A 992 28.955 40.682 9.955 1.00 22.07 H new ATOM 0 HD21 LEU A 992 30.683 38.729 8.684 1.00 22.31 H new ATOM 0 HD22 LEU A 992 31.126 40.237 8.877 1.00 22.31 H new ATOM 0 HD23 LEU A 992 32.050 39.066 9.409 1.00 22.31 H new ATOM 527 N SER A 993 34.273 41.537 12.325 1.00 35.83 N ATOM 528 CA SER A 993 34.864 42.770 12.841 1.00 38.42 C ATOM 529 C SER A 993 34.049 43.932 12.277 1.00 32.45 C ATOM 530 O SER A 993 33.336 43.830 11.292 1.00 30.42 O ATOM 531 CB SER A 993 36.363 42.883 12.490 1.00 36.02 C ATOM 532 OG SER A 993 37.029 41.661 12.810 1.00 42.92 O ATOM 0 H SER A 993 34.723 41.149 11.704 1.00 35.83 H new ATOM 0 HA SER A 993 34.830 42.780 13.810 1.00 38.42 H new ATOM 0 HB2 SER A 993 36.469 43.081 11.546 1.00 36.02 H new ATOM 0 HB3 SER A 993 36.764 43.618 12.980 1.00 36.02 H new ATOM 0 HG SER A 993 36.773 41.057 12.286 1.00 42.92 H new ATOM 533 N SER A 994 34.115 45.040 12.987 1.00 31.67 N ATOM 534 CA SER A 994 33.518 46.273 12.549 1.00 26.21 C ATOM 535 C SER A 994 34.091 46.602 11.200 1.00 25.96 C ATOM 536 O SER A 994 35.278 46.414 10.978 1.00 29.60 O ATOM 537 CB SER A 994 33.838 47.370 13.587 1.00 29.16 C ATOM 538 OG SER A 994 33.448 48.607 13.087 1.00 29.07 O ATOM 0 H SER A 994 34.514 45.094 13.747 1.00 31.67 H new ATOM 0 HA SER A 994 32.553 46.204 12.473 1.00 26.21 H new ATOM 0 HB2 SER A 994 33.376 47.186 14.420 1.00 29.16 H new ATOM 0 HB3 SER A 994 34.788 47.375 13.785 1.00 29.16 H new ATOM 0 HG SER A 994 32.631 48.727 13.242 1.00 29.07 H new ATOM 539 N GLY A 995 33.251 47.069 10.276 1.00 24.45 N ATOM 540 CA GLY A 995 33.643 47.190 8.884 1.00 25.63 C ATOM 541 C GLY A 995 33.486 45.966 7.963 1.00 23.55 C ATOM 542 O GLY A 995 33.569 46.134 6.746 1.00 24.25 O ATOM 0 H GLY A 995 32.446 47.321 10.442 1.00 24.45 H new ATOM 0 HA2 GLY A 995 33.131 47.917 8.496 1.00 25.63 H new ATOM 0 HA3 GLY A 995 34.575 47.456 8.863 1.00 25.63 H new ATOM 543 N ASP A 996 33.318 44.760 8.518 1.00 23.61 N ATOM 544 CA ASP A 996 33.039 43.574 7.701 1.00 21.59 C ATOM 545 C ASP A 996 31.748 43.793 6.882 1.00 22.65 C ATOM 546 O ASP A 996 30.766 44.397 7.367 1.00 22.27 O ATOM 547 CB ASP A 996 33.015 42.296 8.526 1.00 24.77 C ATOM 548 CG ASP A 996 34.383 41.912 9.030 1.00 23.07 C ATOM 549 OD1 ASP A 996 35.323 42.524 8.576 1.00 29.31 O ATOM 550 OD2 ASP A 996 34.499 40.972 9.817 1.00 29.70 O ATOM 0 H ASP A 996 33.362 44.609 9.363 1.00 23.61 H new ATOM 0 HA ASP A 996 33.769 43.452 7.073 1.00 21.59 H new ATOM 0 HB2 ASP A 996 32.416 42.412 9.280 1.00 24.77 H new ATOM 0 HB3 ASP A 996 32.657 41.573 7.988 1.00 24.77 H new ATOM 551 N VAL A 997 31.786 43.407 5.599 1.00 20.10 N ATOM 552 CA VAL A 997 30.589 43.372 4.755 1.00 17.69 C ATOM 553 C VAL A 997 30.084 41.907 4.603 1.00 14.89 C ATOM 554 O VAL A 997 30.773 41.015 4.095 1.00 17.15 O ATOM 555 CB VAL A 997 30.770 44.062 3.385 1.00 18.95 C ATOM 556 CG1 VAL A 997 29.632 43.798 2.459 1.00 18.06 C ATOM 557 CG2 VAL A 997 30.965 45.554 3.554 1.00 20.39 C ATOM 0 H VAL A 997 32.505 43.160 5.198 1.00 20.10 H new ATOM 0 HA VAL A 997 29.910 43.895 5.210 1.00 17.69 H new ATOM 0 HB VAL A 997 31.566 43.679 2.985 1.00 18.95 H new ATOM 0 HG11 VAL A 997 29.790 44.250 1.615 1.00 18.06 H new ATOM 0 HG12 VAL A 997 29.555 42.843 2.305 1.00 18.06 H new ATOM 0 HG13 VAL A 997 28.810 44.129 2.854 1.00 18.06 H new ATOM 0 HG21 VAL A 997 31.076 45.967 2.683 1.00 20.39 H new ATOM 0 HG22 VAL A 997 30.189 45.934 3.995 1.00 20.39 H new ATOM 0 HG23 VAL A 997 31.755 45.718 4.093 1.00 20.39 H new ATOM 558 N LEU A 998 28.846 41.675 5.022 1.00 13.39 N ATOM 559 CA LEU A 998 28.217 40.351 4.889 1.00 12.50 C ATOM 560 C LEU A 998 27.164 40.466 3.795 1.00 12.21 C ATOM 561 O LEU A 998 26.254 41.278 3.852 1.00 11.69 O ATOM 562 CB LEU A 998 27.595 39.952 6.235 1.00 13.44 C ATOM 563 CG LEU A 998 26.679 38.717 6.188 1.00 12.19 C ATOM 564 CD1 LEU A 998 27.503 37.473 5.987 1.00 13.28 C ATOM 565 CD2 LEU A 998 25.969 38.652 7.532 1.00 12.76 C ATOM 0 H LEU A 998 28.345 42.270 5.389 1.00 13.39 H new ATOM 0 HA LEU A 998 28.859 39.664 4.650 1.00 12.50 H new ATOM 0 HB2 LEU A 998 28.310 39.784 6.869 1.00 13.44 H new ATOM 0 HB3 LEU A 998 27.085 40.703 6.576 1.00 13.44 H new ATOM 0 HG LEU A 998 26.045 38.779 5.456 1.00 12.19 H new ATOM 0 HD11 LEU A 998 26.919 36.699 5.958 1.00 13.28 H new ATOM 0 HD12 LEU A 998 27.992 37.540 5.152 1.00 13.28 H new ATOM 0 HD13 LEU A 998 28.130 37.378 6.721 1.00 13.28 H new ATOM 0 HD21 LEU A 998 25.377 37.884 7.549 1.00 12.76 H new ATOM 0 HD22 LEU A 998 26.625 38.569 8.241 1.00 12.76 H new ATOM 0 HD23 LEU A 998 25.451 39.462 7.664 1.00 12.76 H new ATOM 566 N GLU A 999 27.304 39.615 2.778 1.00 11.50 N ATOM 567 CA GLU A 999 26.298 39.516 1.724 1.00 11.86 C ATOM 568 C GLU A 999 25.627 38.162 1.876 1.00 9.93 C ATOM 569 O GLU A 999 26.288 37.169 2.143 1.00 10.32 O ATOM 570 CB GLU A 999 26.896 39.728 0.337 1.00 15.23 C ATOM 571 CG GLU A 999 27.163 41.239 0.067 1.00 19.69 C ATOM 572 CD GLU A 999 27.831 41.419 -1.250 1.00 21.93 C ATOM 573 OE1 GLU A 999 29.039 41.092 -1.303 1.00 23.93 O ATOM 574 OE2 GLU A 999 27.149 41.887 -2.196 1.00 25.38 O ATOM 0 H GLU A 999 27.975 39.086 2.681 1.00 11.50 H new ATOM 0 HA GLU A 999 25.639 40.222 1.814 1.00 11.86 H new ATOM 0 HB2 GLU A 999 27.725 39.231 0.260 1.00 15.23 H new ATOM 0 HB3 GLU A 999 26.292 39.378 -0.336 1.00 15.23 H new ATOM 0 HG2 GLU A 999 26.326 41.729 0.082 1.00 19.69 H new ATOM 0 HG3 GLU A 999 27.719 41.606 0.772 1.00 19.69 H new ATOM 575 N TYR A1000 24.312 38.097 1.651 1.00 9.09 N ATOM 576 CA TYR A1000 23.568 36.899 1.972 1.00 9.03 C ATOM 577 C TYR A1000 22.339 36.818 1.103 1.00 9.22 C ATOM 578 O TYR A1000 21.744 37.822 0.718 1.00 10.23 O ATOM 579 CB TYR A1000 23.176 36.841 3.443 1.00 9.65 C ATOM 580 CG TYR A1000 22.347 37.994 3.941 1.00 9.05 C ATOM 581 CD1 TYR A1000 22.947 39.209 4.292 1.00 9.14 C ATOM 582 CD2 TYR A1000 20.980 37.884 4.136 1.00 8.23 C ATOM 583 CE1 TYR A1000 22.216 40.264 4.745 1.00 8.74 C ATOM 584 CE2 TYR A1000 20.242 38.912 4.582 1.00 8.24 C ATOM 585 CZ TYR A1000 20.814 40.101 4.901 1.00 8.72 C ATOM 586 OH TYR A1000 20.036 41.138 5.358 1.00 9.62 O ATOM 0 H TYR A1000 23.843 38.735 1.315 1.00 9.09 H new ATOM 0 HA TYR A1000 24.145 36.138 1.799 1.00 9.03 H new ATOM 0 HB2 TYR A1000 22.684 36.019 3.598 1.00 9.65 H new ATOM 0 HB3 TYR A1000 23.985 36.792 3.975 1.00 9.65 H new ATOM 0 HD1 TYR A1000 23.869 39.298 4.214 1.00 9.14 H new ATOM 0 HD2 TYR A1000 20.562 37.074 3.952 1.00 8.23 H new ATOM 0 HE1 TYR A1000 22.626 41.074 4.948 1.00 8.74 H new ATOM 0 HE2 TYR A1000 19.322 38.808 4.674 1.00 8.24 H new ATOM 0 HH TYR A1000 19.257 41.060 5.053 1.00 9.62 H new ATOM 587 N SER A1001 22.034 35.580 0.698 1.00 9.25 N ATOM 588 CA ASER A1001 20.823 35.291 -0.094 0.58 9.01 C ATOM 589 CA BSER A1001 20.898 35.238 -0.205 0.42 9.12 C ATOM 590 C SER A1001 20.244 34.004 0.410 1.00 8.84 C ATOM 591 O SER A1001 20.898 33.308 1.212 1.00 9.16 O ATOM 592 CB ASER A1001 21.144 35.173 -1.545 0.58 8.88 C ATOM 593 CB BSER A1001 21.408 34.978 -1.627 0.42 9.46 C ATOM 594 OG ASER A1001 22.151 34.184 -1.756 0.58 9.04 O ATOM 595 OG BSER A1001 20.577 34.149 -2.435 0.42 9.90 O ATOM 0 H ASER A1001 22.516 34.889 0.871 0.58 9.25 H new ATOM 0 H BSER A1001 22.488 34.891 0.942 0.42 9.25 H new ATOM 0 HA ASER A1001 20.187 36.017 0.004 0.58 9.12 H new ATOM 0 HA BSER A1001 20.255 35.960 -0.283 0.42 9.12 H new ATOM 0 HB2ASER A1001 20.344 34.938 -2.041 0.58 9.46 H new ATOM 0 HB2BSER A1001 21.520 35.831 -2.075 0.42 9.46 H new ATOM 0 HB3ASER A1001 21.448 36.029 -1.885 0.58 9.46 H new ATOM 0 HB3BSER A1001 22.286 34.570 -1.569 0.42 9.46 H new ATOM 0 HG ASER A1001 22.908 34.519 -1.611 0.58 9.90 H new ATOM 0 HG BSER A1001 20.102 34.630 -2.934 0.42 9.90 H new ATOM 596 N PHE A1002 19.012 33.706 0.006 1.00 7.63 N ATOM 597 CA PHE A1002 18.334 32.526 0.484 1.00 7.64 C ATOM 598 C PHE A1002 17.796 31.665 -0.622 1.00 7.93 C ATOM 599 O PHE A1002 17.359 32.182 -1.660 1.00 9.05 O ATOM 600 CB PHE A1002 17.151 32.911 1.400 1.00 7.19 C ATOM 601 CG PHE A1002 17.557 33.830 2.536 1.00 7.35 C ATOM 602 CD1 PHE A1002 18.006 33.329 3.728 1.00 7.30 C ATOM 603 CD2 PHE A1002 17.483 35.220 2.366 1.00 7.37 C ATOM 604 CE1 PHE A1002 18.367 34.199 4.779 1.00 7.10 C ATOM 605 CE2 PHE A1002 17.845 36.041 3.369 1.00 7.43 C ATOM 606 CZ PHE A1002 18.302 35.565 4.583 1.00 7.00 C ATOM 0 H PHE A1002 18.557 34.182 -0.547 1.00 7.63 H new ATOM 0 HA PHE A1002 19.004 32.020 0.971 1.00 7.64 H new ATOM 0 HB2 PHE A1002 16.465 33.345 0.869 1.00 7.19 H new ATOM 0 HB3 PHE A1002 16.757 32.104 1.768 1.00 7.19 H new ATOM 0 HD1 PHE A1002 18.074 32.409 3.846 1.00 7.30 H new ATOM 0 HD2 PHE A1002 17.184 35.575 1.560 1.00 7.37 H new ATOM 0 HE1 PHE A1002 18.646 33.856 5.597 1.00 7.10 H new ATOM 0 HE2 PHE A1002 17.786 36.960 3.241 1.00 7.43 H new ATOM 0 HZ PHE A1002 18.561 36.153 5.255 1.00 7.00 H new ATOM 607 N THR A1003 17.701 30.371 -0.320 1.00 8.22 N ATOM 608 CA THR A1003 16.906 29.473 -1.145 1.00 8.88 C ATOM 609 C THR A1003 15.892 28.873 -0.167 1.00 8.73 C ATOM 610 O THR A1003 16.299 28.212 0.788 1.00 8.85 O ATOM 611 CB THR A1003 17.782 28.411 -1.849 1.00 9.88 C ATOM 612 OG1 THR A1003 18.675 29.041 -2.775 1.00 10.80 O ATOM 613 CG2 THR A1003 16.903 27.415 -2.591 1.00 10.05 C ATOM 0 H THR A1003 18.086 29.999 0.353 1.00 8.22 H new ATOM 0 HA THR A1003 16.464 29.926 -1.880 1.00 8.88 H new ATOM 0 HB THR A1003 18.299 27.942 -1.175 1.00 9.88 H new ATOM 0 HG1 THR A1003 19.290 29.427 -2.353 1.00 10.80 H new ATOM 0 HG21 THR A1003 17.461 26.754 -3.029 1.00 10.05 H new ATOM 0 HG22 THR A1003 16.312 26.973 -1.962 1.00 10.05 H new ATOM 0 HG23 THR A1003 16.374 27.883 -3.256 1.00 10.05 H new ATOM 614 N TYR A1004 14.606 29.085 -0.446 1.00 8.46 N ATOM 615 CA TYR A1004 13.553 28.654 0.436 1.00 8.67 C ATOM 616 C TYR A1004 12.522 27.831 -0.272 1.00 9.33 C ATOM 617 O TYR A1004 12.175 28.062 -1.399 1.00 9.06 O ATOM 618 CB TYR A1004 12.849 29.843 1.090 1.00 8.37 C ATOM 619 CG TYR A1004 12.213 30.812 0.194 1.00 8.19 C ATOM 620 CD1 TYR A1004 12.921 31.831 -0.417 1.00 8.19 C ATOM 621 CD2 TYR A1004 10.804 30.776 0.003 1.00 8.94 C ATOM 622 CE1 TYR A1004 12.258 32.747 -1.239 1.00 7.71 C ATOM 623 CE2 TYR A1004 10.162 31.681 -0.795 1.00 8.08 C ATOM 624 CZ TYR A1004 10.871 32.696 -1.409 1.00 7.92 C ATOM 625 OH TYR A1004 10.251 33.604 -2.216 1.00 8.48 O ATOM 0 H TYR A1004 14.330 29.484 -1.156 1.00 8.46 H new ATOM 0 HA TYR A1004 13.984 28.110 1.114 1.00 8.67 H new ATOM 0 HB2 TYR A1004 12.171 29.498 1.692 1.00 8.37 H new ATOM 0 HB3 TYR A1004 13.498 30.316 1.634 1.00 8.37 H new ATOM 0 HD1 TYR A1004 13.838 31.907 -0.281 1.00 8.19 H new ATOM 0 HD2 TYR A1004 10.306 30.119 0.433 1.00 8.94 H new ATOM 0 HE1 TYR A1004 12.748 33.402 -1.681 1.00 7.71 H new ATOM 0 HE2 TYR A1004 9.244 31.613 -0.925 1.00 8.08 H new ATOM 0 HH TYR A1004 9.420 33.562 -2.099 1.00 8.48 H new ATOM 626 N GLU A1005 12.036 26.835 0.436 1.00 10.36 N ATOM 627 CA GLU A1005 10.981 25.983 -0.113 1.00 9.69 C ATOM 628 C GLU A1005 9.620 26.670 0.201 1.00 9.91 C ATOM 629 O GLU A1005 9.426 27.312 1.266 1.00 10.12 O ATOM 630 CB GLU A1005 11.067 24.653 0.559 1.00 10.16 C ATOM 631 CG GLU A1005 10.149 23.582 -0.017 1.00 9.81 C ATOM 632 CD GLU A1005 8.798 23.523 0.635 1.00 11.76 C ATOM 633 OE1 GLU A1005 8.536 24.144 1.693 1.00 11.21 O ATOM 634 OE2 GLU A1005 7.936 22.803 0.044 1.00 13.24 O ATOM 0 H GLU A1005 12.294 26.629 1.230 1.00 10.36 H new ATOM 0 HA GLU A1005 11.070 25.859 -1.071 1.00 9.69 H new ATOM 0 HB2 GLU A1005 11.983 24.338 0.507 1.00 10.16 H new ATOM 0 HB3 GLU A1005 10.859 24.767 1.500 1.00 10.16 H new ATOM 0 HG2 GLU A1005 10.033 23.744 -0.966 1.00 9.81 H new ATOM 0 HG3 GLU A1005 10.579 22.717 0.073 1.00 9.81 H new ATOM 635 N ALYS A1006 8.665 26.523 -0.695 0.50 9.94 N ATOM 636 N BLYS A1006 8.667 26.462 -0.674 0.50 10.36 N ATOM 637 CA ALYS A1006 7.305 27.013 -0.427 0.50 9.68 C ATOM 638 CA BLYS A1006 7.332 26.933 -0.390 0.50 10.35 C ATOM 639 C ALYS A1006 6.328 26.148 -1.208 0.50 10.56 C ATOM 640 C BLYS A1006 6.343 26.130 -1.200 0.50 10.97 C ATOM 641 O ALYS A1006 6.247 26.260 -2.403 0.50 10.29 O ATOM 642 O BLYS A1006 6.258 26.272 -2.393 0.50 10.63 O ATOM 643 CB ALYS A1006 7.140 28.484 -0.855 0.50 10.31 C ATOM 644 CB BLYS A1006 7.207 28.379 -0.787 0.50 11.58 C ATOM 645 CG ALYS A1006 5.729 29.064 -0.602 0.50 9.95 C ATOM 646 CG BLYS A1006 5.874 28.978 -0.387 0.50 11.88 C ATOM 647 CD ALYS A1006 5.585 30.562 -0.854 0.50 9.71 C ATOM 648 CD BLYS A1006 5.511 30.076 -1.339 0.50 12.06 C ATOM 649 CE ALYS A1006 5.508 30.840 -2.356 0.50 9.23 C ATOM 650 CE BLYS A1006 4.223 30.731 -0.903 0.50 12.43 C ATOM 651 NZ ALYS A1006 4.667 31.996 -2.714 0.50 9.22 N ATOM 652 NZ BLYS A1006 3.901 31.843 -1.791 0.50 12.79 N ATOM 0 H ALYS A1006 8.770 26.147 -1.461 0.50 10.36 H new ATOM 0 H BLYS A1006 8.765 26.058 -1.427 0.50 10.36 H new ATOM 0 HA ALYS A1006 7.133 26.962 0.526 0.50 10.35 H new ATOM 0 HA BLYS A1006 7.155 26.835 0.559 0.50 10.35 H new ATOM 0 HB2ALYS A1006 7.790 29.024 -0.379 0.50 11.58 H new ATOM 0 HB2BLYS A1006 7.923 28.887 -0.375 0.50 11.58 H new ATOM 0 HB3ALYS A1006 7.345 28.560 -1.800 0.50 11.58 H new ATOM 0 HB3BLYS A1006 7.319 28.458 -1.747 0.50 11.58 H new ATOM 0 HG2ALYS A1006 5.096 28.594 -1.167 0.50 11.88 H new ATOM 0 HG2BLYS A1006 5.187 28.293 -0.391 0.50 11.88 H new ATOM 0 HG3ALYS A1006 5.480 28.880 0.317 0.50 11.88 H new ATOM 0 HG3BLYS A1006 5.923 29.325 0.518 0.50 11.88 H new ATOM 0 HD2ALYS A1006 4.787 30.895 -0.415 0.50 12.06 H new ATOM 0 HD2BLYS A1006 6.223 30.734 -1.372 0.50 12.06 H new ATOM 0 HD3ALYS A1006 6.339 31.035 -0.469 0.50 12.06 H new ATOM 0 HD3BLYS A1006 5.414 29.718 -2.235 0.50 12.06 H new ATOM 0 HE2ALYS A1006 6.405 30.989 -2.694 0.50 12.43 H new ATOM 0 HE2BLYS A1006 3.502 30.082 -0.912 0.50 12.43 H new ATOM 0 HE3ALYS A1006 5.164 30.051 -2.803 0.50 12.43 H new ATOM 0 HE3BLYS A1006 4.307 31.050 0.009 0.50 12.43 H new ATOM 0 HZ1ALYS A1006 4.678 32.109 -3.597 0.50 12.79 H new ATOM 0 HZ1BLYS A1006 3.277 32.353 -1.414 0.50 12.79 H new ATOM 0 HZ2ALYS A1006 3.831 31.850 -2.444 0.50 12.79 H new ATOM 0 HZ2BLYS A1006 4.632 32.329 -1.936 0.50 12.79 H new ATOM 0 HZ3ALYS A1006 4.983 32.727 -2.318 0.50 12.79 H new ATOM 0 HZ3BLYS A1006 3.597 31.526 -2.565 0.50 12.79 H new ATOM 653 N LEU A1007 5.603 25.287 -0.514 1.00 11.40 N ATOM 654 CA LEU A1007 4.484 24.519 -1.162 1.00 11.97 C ATOM 655 C LEU A1007 4.991 23.617 -2.319 1.00 11.47 C ATOM 656 O LEU A1007 4.266 23.382 -3.287 1.00 14.01 O ATOM 657 CB LEU A1007 3.370 25.460 -1.639 1.00 11.76 C ATOM 658 CG LEU A1007 2.750 26.242 -0.489 1.00 13.25 C ATOM 659 CD1 LEU A1007 1.779 27.282 -1.038 1.00 13.36 C ATOM 660 CD2 LEU A1007 2.127 25.386 0.589 1.00 14.91 C ATOM 0 H ALEU A1007 5.720 25.117 0.321 0.50 11.40 H new ATOM 0 H BLEU A1007 5.708 25.125 0.324 0.50 11.40 H new ATOM 0 HA LEU A1007 4.111 23.932 -0.486 1.00 11.97 H new ATOM 0 HB2 LEU A1007 3.729 26.079 -2.293 1.00 11.76 H new ATOM 0 HB3 LEU A1007 2.681 24.944 -2.086 1.00 11.76 H new ATOM 0 HG LEU A1007 3.478 26.693 -0.033 1.00 13.25 H new ATOM 0 HD11 LEU A1007 1.386 27.778 -0.303 1.00 13.36 H new ATOM 0 HD12 LEU A1007 2.255 27.893 -1.622 1.00 13.36 H new ATOM 0 HD13 LEU A1007 1.077 26.837 -1.539 1.00 13.36 H new ATOM 0 HD21 LEU A1007 1.756 25.956 1.281 1.00 14.91 H new ATOM 0 HD22 LEU A1007 1.420 24.844 0.204 1.00 14.91 H new ATOM 0 HD23 LEU A1007 2.804 24.808 0.975 1.00 14.91 H new ATOM 661 N GLY A1008 6.231 23.147 -2.181 1.00 12.01 N ATOM 662 CA GLY A1008 6.836 22.120 -3.028 1.00 11.08 C ATOM 663 C GLY A1008 8.131 22.571 -3.677 1.00 10.02 C ATOM 664 O GLY A1008 9.203 22.041 -3.349 1.00 12.81 O ATOM 0 H GLY A1008 6.763 23.429 -1.567 1.00 12.01 H new ATOM 0 HA2 GLY A1008 7.007 21.328 -2.495 1.00 11.08 H new ATOM 0 HA3 GLY A1008 6.205 21.866 -3.720 1.00 11.08 H new ATOM 665 N PRO A1009 8.048 23.567 -4.555 1.00 10.36 N ATOM 666 CA PRO A1009 9.259 24.105 -5.204 1.00 11.51 C ATOM 667 C PRO A1009 10.066 24.955 -4.274 1.00 11.27 C ATOM 668 O PRO A1009 9.630 25.220 -3.142 1.00 11.18 O ATOM 669 CB PRO A1009 8.726 25.016 -6.265 1.00 12.39 C ATOM 670 CG PRO A1009 7.279 24.779 -6.293 1.00 14.46 C ATOM 671 CD PRO A1009 6.863 24.248 -5.023 1.00 11.47 C ATOM 0 HA PRO A1009 9.826 23.383 -5.517 1.00 11.51 H new ATOM 0 HB2 PRO A1009 8.924 25.943 -6.061 1.00 12.39 H new ATOM 0 HB3 PRO A1009 9.128 24.823 -7.126 1.00 12.39 H new ATOM 0 HG2 PRO A1009 6.808 25.606 -6.480 1.00 14.46 H new ATOM 0 HG3 PRO A1009 7.055 24.158 -7.004 1.00 14.46 H new ATOM 0 HD2 PRO A1009 6.587 24.950 -4.413 1.00 11.47 H new ATOM 0 HD3 PRO A1009 6.112 23.641 -5.116 1.00 11.47 H new ATOM 672 N GLN A1010 11.239 25.340 -4.754 1.00 11.37 N ATOM 673 CA GLN A1010 12.103 26.269 -4.036 1.00 11.28 C ATOM 674 C GLN A1010 12.384 27.497 -4.902 1.00 11.59 C ATOM 675 O GLN A1010 12.282 27.505 -6.126 1.00 12.03 O ATOM 676 CB GLN A1010 13.404 25.638 -3.599 1.00 11.59 C ATOM 677 CG GLN A1010 14.214 25.077 -4.760 1.00 12.69 C ATOM 678 CD GLN A1010 15.541 24.488 -4.255 1.00 11.93 C ATOM 679 OE1 GLN A1010 15.589 23.822 -3.209 1.00 14.75 O ATOM 680 NE2 GLN A1010 16.606 24.775 -4.939 1.00 14.59 N ATOM 0 H GLN A1010 11.559 25.071 -5.506 1.00 11.37 H new ATOM 0 HA GLN A1010 11.630 26.532 -3.231 1.00 11.28 H new ATOM 0 HB2 GLN A1010 13.936 26.299 -3.130 1.00 11.59 H new ATOM 0 HB3 GLN A1010 13.216 24.925 -2.968 1.00 11.59 H new ATOM 0 HG2 GLN A1010 13.702 24.391 -5.217 1.00 12.69 H new ATOM 0 HG3 GLN A1010 14.390 25.778 -5.407 1.00 12.69 H new ATOM 0 HE21 GLN A1010 16.542 25.239 -5.660 1.00 14.59 H new ATOM 0 HE22 GLN A1010 17.376 24.502 -4.671 1.00 14.59 H new ATOM 681 N TYR A1011 12.733 28.549 -4.192 1.00 9.12 N ATOM 682 CA TYR A1011 12.958 29.850 -4.766 1.00 8.93 C ATOM 683 C TYR A1011 14.197 30.483 -4.160 1.00 8.41 C ATOM 684 O TYR A1011 14.481 30.283 -2.998 1.00 8.69 O ATOM 685 CB TYR A1011 11.724 30.765 -4.506 1.00 8.88 C ATOM 686 CG TYR A1011 10.444 30.129 -4.979 1.00 9.69 C ATOM 687 CD1 TYR A1011 10.052 30.213 -6.303 1.00 10.87 C ATOM 688 CD2 TYR A1011 9.648 29.388 -4.100 1.00 10.94 C ATOM 689 CE1 TYR A1011 8.931 29.552 -6.751 1.00 10.64 C ATOM 690 CE2 TYR A1011 8.495 28.752 -4.540 1.00 11.76 C ATOM 691 CZ TYR A1011 8.140 28.870 -5.860 1.00 12.83 C ATOM 692 OH TYR A1011 6.956 28.251 -6.338 1.00 12.63 O ATOM 0 H TYR A1011 12.848 28.523 -3.340 1.00 9.12 H new ATOM 0 HA TYR A1011 13.089 29.750 -5.722 1.00 8.93 H new ATOM 0 HB2 TYR A1011 11.658 30.957 -3.557 1.00 8.88 H new ATOM 0 HB3 TYR A1011 11.850 31.613 -4.959 1.00 8.88 H new ATOM 0 HD1 TYR A1011 10.553 30.723 -6.898 1.00 10.87 H new ATOM 0 HD2 TYR A1011 9.895 29.320 -3.206 1.00 10.94 H new ATOM 0 HE1 TYR A1011 8.710 29.567 -7.654 1.00 10.64 H new ATOM 0 HE2 TYR A1011 7.973 28.256 -3.951 1.00 11.76 H new ATOM 0 HH TYR A1011 6.968 28.233 -7.178 1.00 12.63 H new ATOM 693 N THR A1012 14.919 31.278 -4.944 1.00 7.82 N ATOM 694 CA THR A1012 16.123 31.946 -4.471 1.00 8.45 C ATOM 695 C THR A1012 16.056 33.443 -4.594 1.00 8.21 C ATOM 696 O THR A1012 15.597 33.985 -5.608 1.00 9.33 O ATOM 697 CB THR A1012 17.335 31.407 -5.253 1.00 8.36 C ATOM 698 OG1 THR A1012 17.453 29.954 -5.096 1.00 9.20 O ATOM 699 CG2 THR A1012 18.646 32.042 -4.807 1.00 9.63 C ATOM 0 H THR A1012 14.723 31.444 -5.765 1.00 7.82 H new ATOM 0 HA THR A1012 16.210 31.753 -3.524 1.00 8.45 H new ATOM 0 HB THR A1012 17.177 31.636 -6.182 1.00 8.36 H new ATOM 0 HG1 THR A1012 17.822 29.780 -4.362 1.00 9.20 H new ATOM 0 HG21 THR A1012 19.378 31.673 -5.326 1.00 9.63 H new ATOM 0 HG22 THR A1012 18.605 33.001 -4.945 1.00 9.63 H new ATOM 0 HG23 THR A1012 18.792 31.857 -3.866 1.00 9.63 H new ATOM 700 N THR A1013 16.505 34.113 -3.553 1.00 8.19 N ATOM 701 CA THR A1013 16.482 35.546 -3.520 1.00 8.52 C ATOM 702 C THR A1013 17.760 36.171 -4.138 1.00 8.28 C ATOM 703 O THR A1013 18.761 35.525 -4.328 1.00 9.46 O ATOM 704 CB THR A1013 16.356 36.049 -2.058 1.00 8.73 C ATOM 705 OG1 THR A1013 17.611 35.945 -1.349 1.00 8.19 O ATOM 706 CG2 THR A1013 15.265 35.344 -1.319 1.00 8.84 C ATOM 0 H THR A1013 16.831 33.745 -2.847 1.00 8.19 H new ATOM 0 HA THR A1013 15.715 35.821 -4.047 1.00 8.52 H new ATOM 0 HB THR A1013 16.118 36.988 -2.104 1.00 8.73 H new ATOM 0 HG1 THR A1013 18.117 36.574 -1.581 1.00 8.19 H new ATOM 0 HG21 THR A1013 15.216 35.684 -0.412 1.00 8.84 H new ATOM 0 HG22 THR A1013 14.419 35.498 -1.767 1.00 8.84 H new ATOM 0 HG23 THR A1013 15.451 34.392 -1.298 1.00 8.84 H new ATOM 707 N GLU A1014 17.682 37.468 -4.320 1.00 9.41 N ATOM 708 CA GLU A1014 18.804 38.302 -4.590 1.00 9.64 C ATOM 709 C GLU A1014 19.750 38.299 -3.418 1.00 10.18 C ATOM 710 O GLU A1014 19.420 37.797 -2.360 1.00 9.05 O ATOM 711 CB GLU A1014 18.299 39.747 -4.846 1.00 10.62 C ATOM 712 CG GLU A1014 17.848 40.436 -3.579 1.00 12.05 C ATOM 713 CD GLU A1014 16.917 41.583 -3.833 1.00 14.35 C ATOM 714 OE1 GLU A1014 15.743 41.317 -4.141 1.00 13.98 O ATOM 715 OE2 GLU A1014 17.408 42.736 -3.694 1.00 17.89 O ATOM 0 H GLU A1014 16.938 37.899 -4.287 1.00 9.41 H new ATOM 0 HA GLU A1014 19.275 37.969 -5.370 1.00 9.64 H new ATOM 0 HB2 GLU A1014 19.008 40.266 -5.258 1.00 10.62 H new ATOM 0 HB3 GLU A1014 17.562 39.722 -5.477 1.00 10.62 H new ATOM 0 HG2 GLU A1014 17.407 39.790 -3.005 1.00 12.05 H new ATOM 0 HG3 GLU A1014 18.626 40.758 -3.098 1.00 12.05 H new ATOM 716 N TRP A1015 20.931 38.899 -3.605 1.00 9.83 N ATOM 717 CA TRP A1015 21.888 39.104 -2.563 1.00 10.06 C ATOM 718 C TRP A1015 21.589 40.383 -1.830 1.00 11.64 C ATOM 719 O TRP A1015 21.506 41.470 -2.435 1.00 13.43 O ATOM 720 CB TRP A1015 23.295 39.201 -3.138 1.00 12.01 C ATOM 721 CG TRP A1015 23.809 37.927 -3.631 1.00 12.45 C ATOM 722 CD1 TRP A1015 23.797 37.459 -4.945 1.00 14.01 C ATOM 723 CD2 TRP A1015 24.483 36.936 -2.860 1.00 12.42 C ATOM 724 NE1 TRP A1015 24.367 36.205 -4.999 1.00 16.23 N ATOM 725 CE2 TRP A1015 24.814 35.872 -3.734 1.00 14.22 C ATOM 726 CE3 TRP A1015 24.821 36.834 -1.515 1.00 12.24 C ATOM 727 CZ2 TRP A1015 25.493 34.751 -3.289 1.00 14.67 C ATOM 728 CZ3 TRP A1015 25.481 35.735 -1.092 1.00 13.55 C ATOM 729 CH2 TRP A1015 25.807 34.709 -1.967 1.00 14.08 C ATOM 0 H TRP A1015 21.187 39.199 -4.369 1.00 9.83 H new ATOM 0 HA TRP A1015 21.834 38.349 -1.956 1.00 10.06 H new ATOM 0 HB2 TRP A1015 23.297 39.845 -3.863 1.00 12.01 H new ATOM 0 HB3 TRP A1015 23.894 39.541 -2.455 1.00 12.01 H new ATOM 0 HD1 TRP A1015 23.456 37.923 -5.675 1.00 14.01 H new ATOM 0 HE1 TRP A1015 24.433 35.713 -5.701 1.00 16.23 H new ATOM 0 HE3 TRP A1015 24.596 37.511 -0.918 1.00 12.24 H new ATOM 0 HZ2 TRP A1015 25.723 34.060 -3.867 1.00 14.67 H new ATOM 0 HZ3 TRP A1015 25.722 35.664 -0.197 1.00 13.55 H new ATOM 0 HH2 TRP A1015 26.257 33.965 -1.637 1.00 14.08 H new ATOM 730 N PHE A1016 21.436 40.288 -0.509 1.00 9.69 N ATOM 731 CA PHE A1016 21.333 41.395 0.398 1.00 10.32 C ATOM 732 C PHE A1016 22.694 41.711 0.988 1.00 11.66 C ATOM 733 O PHE A1016 23.592 40.874 0.949 1.00 11.67 O ATOM 734 CB PHE A1016 20.337 41.073 1.541 1.00 10.51 C ATOM 735 CG PHE A1016 18.983 40.710 1.021 1.00 10.58 C ATOM 736 CD1 PHE A1016 18.097 41.697 0.581 1.00 11.48 C ATOM 737 CD2 PHE A1016 18.583 39.399 0.989 1.00 11.74 C ATOM 738 CE1 PHE A1016 16.858 41.356 0.053 1.00 11.04 C ATOM 739 CE2 PHE A1016 17.335 39.042 0.491 1.00 10.88 C ATOM 740 CZ PHE A1016 16.465 40.022 0.065 1.00 11.05 C ATOM 0 H PHE A1016 21.388 39.528 -0.109 1.00 9.69 H new ATOM 0 HA PHE A1016 21.007 42.164 -0.095 1.00 10.32 H new ATOM 0 HB2 PHE A1016 20.684 40.341 2.074 1.00 10.51 H new ATOM 0 HB3 PHE A1016 20.261 41.841 2.128 1.00 10.51 H new ATOM 0 HD1 PHE A1016 18.340 42.593 0.642 1.00 11.48 H new ATOM 0 HD2 PHE A1016 19.156 38.738 1.305 1.00 11.74 H new ATOM 0 HE1 PHE A1016 16.300 42.010 -0.303 1.00 11.04 H new ATOM 0 HE2 PHE A1016 17.089 38.146 0.446 1.00 10.88 H new ATOM 0 HZ PHE A1016 15.610 39.790 -0.216 1.00 11.05 H new ATOM 741 N THR A1017 22.839 42.926 1.526 1.00 11.89 N ATOM 742 CA THR A1017 24.131 43.363 2.113 1.00 13.27 C ATOM 743 C THR A1017 23.928 43.949 3.492 1.00 11.09 C ATOM 744 O THR A1017 22.894 44.627 3.713 1.00 12.11 O ATOM 745 CB THR A1017 24.937 44.331 1.160 1.00 15.08 C ATOM 746 OG1 THR A1017 26.254 44.505 1.683 1.00 21.60 O ATOM 747 CG2 THR A1017 24.232 45.567 0.996 1.00 20.25 C ATOM 0 H THR A1017 22.212 43.514 1.565 1.00 11.89 H new ATOM 0 HA THR A1017 24.684 42.572 2.210 1.00 13.27 H new ATOM 0 HB THR A1017 25.020 43.946 0.274 1.00 15.08 H new ATOM 0 HG1 THR A1017 26.690 45.018 1.180 1.00 21.60 H new ATOM 0 HG21 THR A1017 24.736 46.152 0.409 1.00 20.25 H new ATOM 0 HG22 THR A1017 23.360 45.393 0.607 1.00 20.25 H new ATOM 0 HG23 THR A1017 24.121 45.994 1.860 1.00 20.25 H new ATOM 748 N TYR A1018 24.860 43.637 4.380 1.00 11.61 N ATOM 749 CA TYR A1018 24.901 44.161 5.729 1.00 11.25 C ATOM 750 C TYR A1018 26.316 44.622 6.042 1.00 12.65 C ATOM 751 O TYR A1018 27.267 43.879 5.798 1.00 14.11 O ATOM 752 CB TYR A1018 24.487 43.062 6.741 1.00 11.68 C ATOM 753 CG TYR A1018 24.738 43.425 8.170 1.00 10.45 C ATOM 754 CD1 TYR A1018 23.879 44.329 8.794 1.00 12.74 C ATOM 755 CD2 TYR A1018 25.739 42.837 8.912 1.00 11.19 C ATOM 756 CE1 TYR A1018 24.125 44.716 10.093 1.00 12.45 C ATOM 757 CE2 TYR A1018 25.996 43.220 10.224 1.00 12.29 C ATOM 758 CZ TYR A1018 25.202 44.160 10.804 1.00 12.09 C ATOM 759 OH TYR A1018 25.524 44.478 12.121 1.00 15.35 O ATOM 0 H TYR A1018 25.506 43.097 4.206 1.00 11.61 H new ATOM 0 HA TYR A1018 24.284 44.906 5.800 1.00 11.25 H new ATOM 0 HB2 TYR A1018 23.543 42.869 6.627 1.00 11.68 H new ATOM 0 HB3 TYR A1018 24.970 42.247 6.534 1.00 11.68 H new ATOM 0 HD1 TYR A1018 23.144 44.669 8.336 1.00 12.74 H new ATOM 0 HD2 TYR A1018 26.256 42.167 8.526 1.00 11.19 H new ATOM 0 HE1 TYR A1018 23.577 45.347 10.501 1.00 12.45 H new ATOM 0 HE2 TYR A1018 26.700 42.839 10.698 1.00 12.29 H new ATOM 0 HH TYR A1018 25.766 43.783 12.526 1.00 15.35 H new ATOM 760 N ASER A1019 26.523 45.836 6.560 0.50 13.46 N ATOM 761 N BSER A1019 26.441 45.791 6.651 0.50 13.46 N ATOM 762 CA ASER A1019 27.863 46.222 7.049 0.50 13.92 C ATOM 763 CA BSER A1019 27.719 46.317 7.083 0.50 13.97 C ATOM 764 C ASER A1019 27.857 46.263 8.558 0.50 13.94 C ATOM 765 C BSER A1019 27.823 46.270 8.599 0.50 14.04 C ATOM 766 O ASER A1019 27.020 46.941 9.172 0.50 15.44 O ATOM 767 O BSER A1019 27.018 46.919 9.277 0.50 15.47 O ATOM 768 CB ASER A1019 28.359 47.578 6.486 0.50 14.51 C ATOM 769 CB BSER A1019 27.816 47.771 6.625 0.50 14.51 C ATOM 770 OG ASER A1019 29.707 47.933 6.857 0.50 16.05 O ATOM 771 OG BSER A1019 27.546 47.887 5.210 0.50 16.47 O ATOM 0 H ASER A1019 25.919 46.443 6.639 0.50 13.46 H new ATOM 0 H BSER A1019 25.775 46.306 6.826 0.50 13.46 H new ATOM 0 HA ASER A1019 28.483 45.549 6.728 0.50 13.97 H new ATOM 0 HA BSER A1019 28.435 45.785 6.702 0.50 13.97 H new ATOM 0 HB2ASER A1019 28.300 47.553 5.518 0.50 14.51 H new ATOM 0 HB2BSER A1019 27.185 48.314 7.124 0.50 14.51 H new ATOM 0 HB3ASER A1019 27.759 48.278 6.789 0.50 14.51 H new ATOM 0 HB3BSER A1019 28.702 48.116 6.818 0.50 14.51 H new ATOM 0 HG ASER A1019 29.697 48.343 7.590 0.50 16.47 H new ATOM 0 HG BSER A1019 27.603 48.693 4.979 0.50 16.47 H new ATOM 772 N ARG A1020 28.768 45.518 9.145 1.00 15.33 N ATOM 773 CA ARG A1020 28.922 45.422 10.611 1.00 16.28 C ATOM 774 C ARG A1020 29.516 46.681 11.214 1.00 20.77 C ATOM 775 O ARG A1020 30.367 47.308 10.580 1.00 19.27 O ATOM 776 CB ARG A1020 29.844 44.298 10.979 1.00 15.58 C ATOM 777 CG ARG A1020 29.969 44.011 12.451 1.00 16.16 C ATOM 778 CD ARG A1020 28.655 43.596 13.103 1.00 16.09 C ATOM 779 NE ARG A1020 28.745 43.540 14.565 1.00 15.91 N ATOM 780 CZ ARG A1020 28.661 44.611 15.337 1.00 16.44 C ATOM 781 NH1 ARG A1020 28.511 45.825 14.817 1.00 18.09 N ATOM 782 NH2 ARG A1020 28.761 44.467 16.648 1.00 17.90 N ATOM 783 OXT ARG A1020 29.187 47.038 12.342 1.00 20.98 O ATOM 0 H AARG A1020 29.333 45.038 8.708 0.50 15.33 H new ATOM 0 H BARG A1020 29.334 45.053 8.695 0.50 15.33 H new ATOM 0 HA ARG A1020 28.028 45.278 10.958 1.00 16.28 H new ATOM 0 HB2 ARG A1020 29.538 43.492 10.534 1.00 15.58 H new ATOM 0 HB3 ARG A1020 30.726 44.498 10.629 1.00 15.58 H new ATOM 0 HG2 ARG A1020 30.623 43.307 12.582 1.00 16.16 H new ATOM 0 HG3 ARG A1020 30.309 44.801 12.900 1.00 16.16 H new ATOM 0 HD2 ARG A1020 27.960 44.223 12.849 1.00 16.09 H new ATOM 0 HD3 ARG A1020 28.391 42.726 12.765 1.00 16.09 H new ATOM 0 HE ARG A1020 28.858 42.774 14.939 1.00 15.91 H new ATOM 0 HH11 ARG A1020 28.467 45.925 13.964 1.00 18.09 H new ATOM 0 HH12 ARG A1020 28.458 46.511 15.334 1.00 18.09 H new ATOM 0 HH21 ARG A1020 28.879 43.685 16.987 1.00 17.90 H new ATOM 0 HH22 ARG A1020 28.708 45.155 17.161 1.00 17.90 H new TER 784 ARG A1020 ATOM 785 N GLY B 929 -2.810 56.638 20.938 1.00 41.45 N ATOM 786 CA GLY B 929 -2.710 56.801 19.445 1.00 39.15 C ATOM 787 C GLY B 929 -2.611 55.457 18.719 1.00 38.06 C ATOM 788 O GLY B 929 -3.150 55.308 17.611 1.00 38.08 O ATOM 0 HA2 GLY B 929 -3.486 57.284 19.122 1.00 39.15 H new ATOM 0 HA3 GLY B 929 -1.932 57.339 19.232 1.00 39.15 H new ATOM 789 N ASP B 930 -1.911 54.501 19.350 1.00 33.86 N ATOM 790 CA ASP B 930 -1.665 53.110 18.827 1.00 30.46 C ATOM 791 C ASP B 930 -2.335 52.014 19.675 1.00 32.22 C ATOM 792 O ASP B 930 -1.810 50.897 19.839 1.00 32.83 O ATOM 793 CB ASP B 930 -0.162 52.861 18.706 1.00 29.30 C ATOM 794 CG ASP B 930 0.560 53.961 17.933 1.00 28.05 C ATOM 795 OD1 ASP B 930 1.486 54.637 18.501 1.00 34.32 O ATOM 796 OD2 ASP B 930 0.216 54.172 16.749 1.00 24.39 O ATOM 0 H ASP B 930 -1.549 54.634 20.119 1.00 33.86 H new ATOM 0 HA ASP B 930 -2.077 53.058 17.950 1.00 30.46 H new ATOM 0 HB2 ASP B 930 0.222 52.790 19.594 1.00 29.30 H new ATOM 0 HB3 ASP B 930 -0.014 52.010 18.264 1.00 29.30 H new ATOM 797 N SER B 931 -3.496 52.368 20.245 1.00 27.42 N ATOM 798 CA SER B 931 -4.539 51.427 20.585 1.00 25.97 C ATOM 799 C SER B 931 -5.742 51.885 19.760 1.00 25.01 C ATOM 800 O SER B 931 -5.973 53.100 19.622 1.00 26.17 O ATOM 801 CB SER B 931 -4.858 51.456 22.064 1.00 27.57 C ATOM 802 OG SER B 931 -5.593 50.311 22.416 1.00 30.84 O ATOM 0 H SER B 931 -3.691 53.182 20.444 1.00 27.42 H new ATOM 0 HA SER B 931 -4.279 50.512 20.394 1.00 25.97 H new ATOM 0 HB2 SER B 931 -4.037 51.495 22.580 1.00 27.57 H new ATOM 0 HB3 SER B 931 -5.365 52.255 22.278 1.00 27.57 H new ATOM 0 HG SER B 931 -5.396 50.081 23.200 1.00 30.84 H new ATOM 803 N HIS B 932 -6.466 50.938 19.171 1.00 18.34 N ATOM 804 CA HIS B 932 -7.614 51.201 18.297 1.00 17.91 C ATOM 805 C HIS B 932 -8.762 50.296 18.769 1.00 20.29 C ATOM 806 O HIS B 932 -8.577 49.106 18.925 1.00 18.18 O ATOM 807 CB HIS B 932 -7.297 50.875 16.814 1.00 17.78 C ATOM 808 CG HIS B 932 -6.123 51.633 16.295 1.00 21.71 C ATOM 809 ND1 HIS B 932 -6.230 52.949 15.907 1.00 24.31 N ATOM 810 CD2 HIS B 932 -4.814 51.294 16.141 1.00 20.36 C ATOM 811 CE1 HIS B 932 -5.032 53.400 15.560 1.00 25.61 C ATOM 812 NE2 HIS B 932 -4.154 52.423 15.709 1.00 22.07 N ATOM 0 H HIS B 932 -6.301 50.100 19.270 1.00 18.34 H new ATOM 0 HA HIS B 932 -7.845 52.142 18.348 1.00 17.91 H new ATOM 0 HB2 HIS B 932 -7.128 49.924 16.725 1.00 17.78 H new ATOM 0 HB3 HIS B 932 -8.074 51.077 16.269 1.00 17.78 H new ATOM 0 HD1 HIS B 932 -6.958 53.406 15.892 1.00 24.31 H new ATOM 0 HD2 HIS B 932 -4.437 50.459 16.298 1.00 20.36 H new ATOM 0 HE1 HIS B 932 -4.841 54.260 15.262 1.00 25.61 H new ATOM 813 N THR B 933 -9.955 50.855 19.042 1.00 20.84 N ATOM 814 CA THR B 933 -11.068 50.049 19.541 1.00 20.73 C ATOM 815 C THR B 933 -12.193 50.033 18.543 1.00 20.73 C ATOM 816 O THR B 933 -12.394 50.967 17.775 1.00 21.25 O ATOM 817 CB THR B 933 -11.634 50.602 20.823 1.00 24.73 C ATOM 818 OG1 THR B 933 -11.895 51.999 20.611 1.00 29.04 O ATOM 819 CG2 THR B 933 -10.699 50.374 21.947 1.00 25.68 C ATOM 0 H THR B 933 -10.132 51.691 18.944 1.00 20.84 H new ATOM 0 HA THR B 933 -10.713 49.159 19.692 1.00 20.73 H new ATOM 0 HB THR B 933 -12.459 50.151 21.062 1.00 24.73 H new ATOM 0 HG1 THR B 933 -11.177 52.431 20.672 1.00 29.04 H new ATOM 0 HG21 THR B 933 -11.079 50.736 22.763 1.00 25.68 H new ATOM 0 HG22 THR B 933 -10.549 49.422 22.055 1.00 25.68 H new ATOM 0 HG23 THR B 933 -9.855 50.815 21.761 1.00 25.68 H new ATOM 820 N HIS B 934 -12.927 48.953 18.566 1.00 17.39 N ATOM 821 CA HIS B 934 -13.962 48.662 17.640 1.00 15.85 C ATOM 822 C HIS B 934 -14.846 47.683 18.397 1.00 14.40 C ATOM 823 O HIS B 934 -14.396 47.028 19.331 1.00 14.47 O ATOM 824 CB HIS B 934 -13.348 48.012 16.347 1.00 14.95 C ATOM 825 CG HIS B 934 -14.343 47.602 15.267 1.00 16.90 C ATOM 826 ND1 HIS B 934 -15.134 46.463 15.332 1.00 16.16 N ATOM 827 CD2 HIS B 934 -14.630 48.165 14.061 1.00 17.58 C ATOM 828 CE1 HIS B 934 -15.838 46.328 14.241 1.00 17.45 C ATOM 829 NE2 HIS B 934 -15.548 47.354 13.445 1.00 18.47 N ATOM 0 H HIS B 934 -12.824 48.338 19.159 1.00 17.39 H new ATOM 0 HA HIS B 934 -14.455 49.442 17.340 1.00 15.85 H new ATOM 0 HB2 HIS B 934 -12.718 48.639 15.960 1.00 14.95 H new ATOM 0 HB3 HIS B 934 -12.842 47.227 16.610 1.00 14.95 H new ATOM 0 HD2 HIS B 934 -14.271 48.952 13.719 1.00 17.58 H new ATOM 0 HE1 HIS B 934 -16.434 45.639 14.054 1.00 17.45 H new ATOM 0 HE2 HIS B 934 -15.884 47.488 12.665 1.00 18.47 H new ATOM 830 N PRO B 935 -16.132 47.584 18.059 1.00 14.84 N ATOM 831 CA PRO B 935 -16.940 46.602 18.739 1.00 15.80 C ATOM 832 C PRO B 935 -16.404 45.189 18.753 1.00 15.62 C ATOM 833 O PRO B 935 -16.556 44.518 19.734 1.00 14.67 O ATOM 834 CB PRO B 935 -18.255 46.640 17.950 1.00 17.49 C ATOM 835 CG PRO B 935 -18.355 48.048 17.558 1.00 17.43 C ATOM 836 CD PRO B 935 -16.981 48.470 17.225 1.00 17.02 C ATOM 0 HA PRO B 935 -16.996 46.823 19.682 1.00 15.80 H new ATOM 0 HB2 PRO B 935 -18.230 46.052 17.179 1.00 17.49 H new ATOM 0 HB3 PRO B 935 -19.009 46.363 18.493 1.00 17.49 H new ATOM 0 HG2 PRO B 935 -18.947 48.156 16.797 1.00 17.43 H new ATOM 0 HG3 PRO B 935 -18.719 48.585 18.279 1.00 17.43 H new ATOM 0 HD2 PRO B 935 -16.793 48.358 16.280 1.00 17.02 H new ATOM 0 HD3 PRO B 935 -16.834 49.406 17.435 1.00 17.02 H new ATOM 837 N ASP B 936 -15.660 44.820 17.702 1.00 13.36 N ATOM 838 CA ASP B 936 -15.135 43.499 17.561 1.00 13.01 C ATOM 839 C ASP B 936 -13.700 43.276 18.149 1.00 11.17 C ATOM 840 O ASP B 936 -13.285 42.157 18.225 1.00 11.56 O ATOM 841 CB ASP B 936 -15.107 43.120 16.108 1.00 14.27 C ATOM 842 CG ASP B 936 -16.491 42.890 15.491 1.00 14.99 C ATOM 843 OD1 ASP B 936 -17.551 42.806 16.189 1.00 15.95 O ATOM 844 OD2 ASP B 936 -16.495 42.705 14.245 1.00 16.61 O ATOM 0 H ASP B 936 -15.455 45.349 17.056 1.00 13.36 H new ATOM 0 HA ASP B 936 -15.733 42.940 18.081 1.00 13.01 H new ATOM 0 HB2 ASP B 936 -14.655 43.819 15.611 1.00 14.27 H new ATOM 0 HB3 ASP B 936 -14.580 42.312 16.005 1.00 14.27 H new ATOM 845 N TYR B 937 -13.022 44.313 18.564 1.00 12.23 N ATOM 846 CA TYR B 937 -11.605 44.179 18.968 1.00 11.39 C ATOM 847 C TYR B 937 -11.019 45.443 19.517 1.00 11.26 C ATOM 848 O TYR B 937 -11.520 46.534 19.237 1.00 12.13 O ATOM 849 CB TYR B 937 -10.750 43.716 17.744 1.00 11.19 C ATOM 850 CG TYR B 937 -10.808 44.679 16.575 1.00 11.72 C ATOM 851 CD1 TYR B 937 -9.979 45.791 16.523 1.00 12.29 C ATOM 852 CD2 TYR B 937 -11.672 44.458 15.515 1.00 11.86 C ATOM 853 CE1 TYR B 937 -10.068 46.711 15.456 1.00 13.34 C ATOM 854 CE2 TYR B 937 -11.771 45.375 14.471 1.00 11.88 C ATOM 855 CZ TYR B 937 -10.962 46.466 14.462 1.00 12.41 C ATOM 856 OH TYR B 937 -11.027 47.367 13.404 1.00 15.27 O ATOM 0 H TYR B 937 -13.342 45.109 18.627 1.00 12.23 H new ATOM 0 HA TYR B 937 -11.585 43.520 19.680 1.00 11.39 H new ATOM 0 HB2 TYR B 937 -9.827 43.611 18.023 1.00 11.19 H new ATOM 0 HB3 TYR B 937 -11.059 42.844 17.453 1.00 11.19 H new ATOM 0 HD1 TYR B 937 -9.357 45.932 17.200 1.00 12.29 H new ATOM 0 HD2 TYR B 937 -12.193 43.688 15.500 1.00 11.86 H new ATOM 0 HE1 TYR B 937 -9.527 47.467 15.434 1.00 13.34 H new ATOM 0 HE2 TYR B 937 -12.386 45.241 13.786 1.00 11.88 H new ATOM 0 HH TYR B 937 -11.600 47.106 12.848 1.00 15.27 H new ATOM 857 N THR B 938 -9.901 45.328 20.252 1.00 11.47 N ATOM 858 CA THR B 938 -8.969 46.372 20.398 1.00 12.20 C ATOM 859 C THR B 938 -7.729 45.837 19.754 1.00 12.25 C ATOM 860 O THR B 938 -7.390 44.683 19.964 1.00 12.57 O ATOM 861 CB THR B 938 -8.722 46.701 21.895 1.00 13.41 C ATOM 862 OG1 THR B 938 -9.981 47.219 22.423 1.00 16.20 O ATOM 863 CG2 THR B 938 -7.699 47.753 22.104 1.00 14.29 C ATOM 0 H THR B 938 -9.688 44.611 20.677 1.00 11.47 H new ATOM 0 HA THR B 938 -9.273 47.201 19.996 1.00 12.20 H new ATOM 0 HB THR B 938 -8.409 45.894 22.332 1.00 13.41 H new ATOM 0 HG1 THR B 938 -10.487 46.578 22.621 1.00 16.20 H new ATOM 0 HG21 THR B 938 -7.589 47.914 23.054 1.00 14.29 H new ATOM 0 HG22 THR B 938 -6.854 47.463 21.726 1.00 14.29 H new ATOM 0 HG23 THR B 938 -7.983 48.572 21.669 1.00 14.29 H new ATOM 864 N ALA B 939 -7.036 46.697 19.070 1.00 12.14 N ATOM 865 CA ALA B 939 -5.814 46.339 18.387 1.00 13.07 C ATOM 866 C ALA B 939 -4.807 47.468 18.437 1.00 13.74 C ATOM 867 O ALA B 939 -5.159 48.608 18.583 1.00 15.61 O ATOM 868 CB ALA B 939 -6.131 45.981 16.936 1.00 12.53 C ATOM 0 H ALA B 939 -7.258 47.523 18.981 1.00 12.14 H new ATOM 0 HA ALA B 939 -5.423 45.573 18.835 1.00 13.07 H new ATOM 0 HB1 ALA B 939 -5.312 45.740 16.476 1.00 12.53 H new ATOM 0 HB2 ALA B 939 -6.746 45.231 16.914 1.00 12.53 H new ATOM 0 HB3 ALA B 939 -6.537 46.744 16.495 1.00 12.53 H new ATOM 869 N GLY B 940 -3.531 47.153 18.280 1.00 12.26 N ATOM 870 CA GLY B 940 -2.534 48.194 18.249 1.00 13.13 C ATOM 871 C GLY B 940 -1.115 47.688 18.352 1.00 11.66 C ATOM 872 O GLY B 940 -0.816 46.573 17.934 1.00 11.26 O ATOM 0 H GLY B 940 -3.229 46.353 18.191 1.00 12.26 H new ATOM 0 HA2 GLY B 940 -2.630 48.696 17.425 1.00 13.13 H new ATOM 0 HA3 GLY B 940 -2.701 48.811 18.978 1.00 13.13 H new ATOM 873 N ILE B 941 -0.280 48.554 18.898 1.00 12.81 N ATOM 874 CA ILE B 941 1.131 48.312 19.016 1.00 12.51 C ATOM 875 C ILE B 941 1.492 48.425 20.498 1.00 13.91 C ATOM 876 O ILE B 941 1.086 49.387 21.193 1.00 16.78 O ATOM 877 CB ILE B 941 1.952 49.347 18.243 1.00 12.91 C ATOM 878 CG1 ILE B 941 1.507 49.432 16.790 1.00 12.11 C ATOM 879 CG2 ILE B 941 3.433 49.073 18.367 1.00 12.55 C ATOM 880 CD1 ILE B 941 1.669 48.135 15.988 1.00 12.39 C ATOM 0 H ILE B 941 -0.529 49.313 19.215 1.00 12.81 H new ATOM 0 HA ILE B 941 1.331 47.436 18.652 1.00 12.51 H new ATOM 0 HB ILE B 941 1.788 50.216 18.641 1.00 12.91 H new ATOM 0 HG12 ILE B 941 0.574 49.697 16.766 1.00 12.11 H new ATOM 0 HG13 ILE B 941 2.013 50.134 16.351 1.00 12.11 H new ATOM 0 HG21 ILE B 941 3.929 49.742 17.869 1.00 12.55 H new ATOM 0 HG22 ILE B 941 3.692 49.108 19.301 1.00 12.55 H new ATOM 0 HG23 ILE B 941 3.630 48.193 18.010 1.00 12.55 H new ATOM 0 HD11 ILE B 941 1.364 48.277 15.078 1.00 12.39 H new ATOM 0 HD12 ILE B 941 2.603 47.875 15.978 1.00 12.39 H new ATOM 0 HD13 ILE B 941 1.143 47.432 16.400 1.00 12.39 H new ATOM 881 N ARG B 942 2.243 47.458 20.965 1.00 13.06 N ATOM 882 CA ARG B 942 2.793 47.433 22.314 1.00 13.85 C ATOM 883 C ARG B 942 4.124 46.693 22.403 1.00 14.42 C ATOM 884 O ARG B 942 4.759 46.375 21.393 1.00 12.58 O ATOM 885 CB ARG B 942 1.751 46.842 23.260 1.00 14.14 C ATOM 886 CG ARG B 942 1.510 45.390 23.080 1.00 13.67 C ATOM 887 CD ARG B 942 0.311 44.866 23.890 1.00 14.34 C ATOM 888 NE ARG B 942 0.146 43.453 23.743 1.00 14.62 N ATOM 889 CZ ARG B 942 -0.961 42.795 24.054 1.00 13.25 C ATOM 890 NH1 ARG B 942 -2.037 43.433 24.499 1.00 16.38 N ATOM 891 NH2 ARG B 942 -1.018 41.484 23.846 1.00 15.24 N ATOM 0 H ARG B 942 2.460 46.770 20.497 1.00 13.06 H new ATOM 0 HA ARG B 942 2.993 48.345 22.578 1.00 13.85 H new ATOM 0 HB2 ARG B 942 2.034 47.000 24.174 1.00 14.14 H new ATOM 0 HB3 ARG B 942 0.913 47.315 23.136 1.00 14.14 H new ATOM 0 HG2 ARG B 942 1.361 45.208 22.139 1.00 13.67 H new ATOM 0 HG3 ARG B 942 2.307 44.902 23.341 1.00 13.67 H new ATOM 0 HD2 ARG B 942 0.436 45.081 24.828 1.00 14.34 H new ATOM 0 HD3 ARG B 942 -0.497 45.318 23.600 1.00 14.34 H new ATOM 0 HE ARG B 942 0.809 43.001 23.433 1.00 14.62 H new ATOM 0 HH11 ARG B 942 -2.023 44.288 24.590 1.00 16.38 H new ATOM 0 HH12 ARG B 942 -2.748 42.991 24.697 1.00 16.38 H new ATOM 0 HH21 ARG B 942 -0.341 41.072 23.513 1.00 15.24 H new ATOM 0 HH22 ARG B 942 -1.732 41.048 24.045 1.00 15.24 H new ATOM 892 N GLY B 943 4.661 46.481 23.617 1.00 14.30 N ATOM 893 CA GLY B 943 5.946 45.789 23.697 1.00 14.81 C ATOM 894 C GLY B 943 7.119 46.432 22.950 1.00 14.38 C ATOM 895 O GLY B 943 8.013 45.757 22.486 1.00 15.29 O ATOM 0 H GLY B 943 4.314 46.718 24.367 1.00 14.30 H new ATOM 0 HA2 GLY B 943 6.190 45.709 24.633 1.00 14.81 H new ATOM 0 HA3 GLY B 943 5.827 44.888 23.357 1.00 14.81 H new ATOM 896 N ILE B 944 7.125 47.763 22.912 1.00 15.97 N ATOM 897 CA ILE B 944 8.111 48.503 22.122 1.00 15.94 C ATOM 898 C ILE B 944 9.493 48.399 22.809 1.00 15.95 C ATOM 899 O ILE B 944 9.663 48.772 24.011 1.00 19.88 O ATOM 900 CB ILE B 944 7.648 49.962 21.903 1.00 15.95 C ATOM 901 CG1 ILE B 944 6.332 49.967 21.068 1.00 17.85 C ATOM 902 CG2 ILE B 944 8.740 50.746 21.205 1.00 16.12 C ATOM 903 CD1 ILE B 944 5.544 51.232 21.176 1.00 19.02 C ATOM 0 H ILE B 944 6.565 48.259 23.337 1.00 15.97 H new ATOM 0 HA ILE B 944 8.194 48.113 21.238 1.00 15.94 H new ATOM 0 HB ILE B 944 7.472 50.385 22.758 1.00 15.95 H new ATOM 0 HG12 ILE B 944 6.552 49.813 20.136 1.00 17.85 H new ATOM 0 HG13 ILE B 944 5.776 49.226 21.355 1.00 17.85 H new ATOM 0 HG21 ILE B 944 8.446 51.660 21.069 1.00 16.12 H new ATOM 0 HG22 ILE B 944 9.541 50.742 21.752 1.00 16.12 H new ATOM 0 HG23 ILE B 944 8.933 50.338 20.346 1.00 16.12 H new ATOM 0 HD11 ILE B 944 4.743 51.162 20.633 1.00 19.02 H new ATOM 0 HD12 ILE B 944 5.294 51.380 22.102 1.00 19.02 H new ATOM 0 HD13 ILE B 944 6.082 51.976 20.864 1.00 19.02 H new ATOM 904 N THR B 945 10.473 47.885 22.077 1.00 15.77 N ATOM 905 CA THR B 945 11.923 47.940 22.426 1.00 16.71 C ATOM 906 C THR B 945 12.725 48.637 21.307 1.00 15.03 C ATOM 907 O THR B 945 12.213 48.995 20.217 1.00 16.51 O ATOM 908 CB THR B 945 12.540 46.590 22.758 1.00 17.23 C ATOM 909 OG1 THR B 945 12.780 45.889 21.533 1.00 14.24 O ATOM 910 CG2 THR B 945 11.612 45.799 23.676 1.00 16.81 C ATOM 0 H THR B 945 10.325 47.477 21.335 1.00 15.77 H new ATOM 0 HA THR B 945 11.974 48.461 23.243 1.00 16.71 H new ATOM 0 HB THR B 945 13.380 46.710 23.227 1.00 17.23 H new ATOM 0 HG1 THR B 945 13.123 45.141 21.701 1.00 14.24 H new ATOM 0 HG21 THR B 945 12.014 44.941 23.881 1.00 16.81 H new ATOM 0 HG22 THR B 945 11.470 46.294 24.498 1.00 16.81 H new ATOM 0 HG23 THR B 945 10.761 45.659 23.233 1.00 16.81 H new ATOM 911 N GLY B 946 14.022 48.766 21.543 1.00 15.21 N ATOM 912 CA GLY B 946 14.893 49.289 20.508 1.00 16.93 C ATOM 913 C GLY B 946 15.008 48.392 19.276 1.00 16.29 C ATOM 914 O GLY B 946 15.513 48.840 18.229 1.00 16.92 O ATOM 0 H GLY B 946 14.411 48.560 22.282 1.00 15.21 H new ATOM 0 HA2 GLY B 946 14.565 50.160 20.233 1.00 16.93 H new ATOM 0 HA3 GLY B 946 15.778 49.424 20.881 1.00 16.93 H new ATOM 915 N ASN B 947 14.605 47.135 19.406 1.00 15.21 N ATOM 916 CA ASN B 947 14.796 46.142 18.324 1.00 16.76 C ATOM 917 C ASN B 947 13.512 45.569 17.754 1.00 14.30 C ATOM 918 O ASN B 947 13.590 44.863 16.718 1.00 14.66 O ATOM 919 CB ASN B 947 15.668 44.966 18.774 1.00 17.96 C ATOM 920 CG ASN B 947 17.123 45.385 19.111 1.00 21.20 C ATOM 921 OD1 ASN B 947 17.672 44.970 20.130 1.00 28.47 O ATOM 922 ND2 ASN B 947 17.755 46.109 18.233 1.00 20.29 N ATOM 0 H ASN B 947 14.217 46.825 20.108 1.00 15.21 H new ATOM 0 HA ASN B 947 15.233 46.654 17.625 1.00 16.76 H new ATOM 0 HB2 ASN B 947 15.267 44.552 19.554 1.00 17.96 H new ATOM 0 HB3 ASN B 947 15.684 44.295 18.074 1.00 17.96 H new ATOM 0 HD21 ASN B 947 18.582 46.311 18.357 1.00 20.29 H new ATOM 0 HD22 ASN B 947 17.346 46.386 17.529 1.00 20.29 H new ATOM 923 N GLU B 948 12.373 45.816 18.437 1.00 13.36 N ATOM 924 CA GLU B 948 11.098 45.239 18.032 1.00 12.66 C ATOM 925 C GLU B 948 9.910 45.959 18.598 1.00 11.36 C ATOM 926 O GLU B 948 10.019 46.746 19.524 1.00 13.47 O ATOM 927 CB GLU B 948 10.996 43.756 18.380 1.00 12.89 C ATOM 928 CG GLU B 948 11.070 43.467 19.879 1.00 14.32 C ATOM 929 CD GLU B 948 10.823 42.031 20.211 1.00 13.54 C ATOM 930 OE1 GLU B 948 11.647 41.173 19.802 1.00 14.03 O ATOM 931 OE2 GLU B 948 9.757 41.757 20.873 1.00 13.97 O ATOM 0 H GLU B 948 12.331 46.316 19.135 1.00 13.36 H new ATOM 0 HA GLU B 948 11.080 45.343 17.068 1.00 12.66 H new ATOM 0 HB2 GLU B 948 10.160 43.408 18.033 1.00 12.89 H new ATOM 0 HB3 GLU B 948 11.710 43.277 17.931 1.00 12.89 H new ATOM 0 HG2 GLU B 948 11.945 43.724 20.210 1.00 14.32 H new ATOM 0 HG3 GLU B 948 10.419 44.017 20.342 1.00 14.32 H new ATOM 932 N VAL B 949 8.745 45.730 17.979 1.00 10.35 N ATOM 933 CA VAL B 949 7.448 46.100 18.486 1.00 9.95 C ATOM 934 C VAL B 949 6.527 44.917 18.327 1.00 9.30 C ATOM 935 O VAL B 949 6.820 44.016 17.485 1.00 9.42 O ATOM 936 CB VAL B 949 6.795 47.346 17.792 1.00 9.99 C ATOM 937 CG1 VAL B 949 7.734 48.552 17.878 1.00 10.37 C ATOM 938 CG2 VAL B 949 6.324 47.079 16.338 1.00 11.30 C ATOM 0 H VAL B 949 8.703 45.335 17.216 1.00 10.35 H new ATOM 0 HA VAL B 949 7.579 46.355 19.413 1.00 9.95 H new ATOM 0 HB VAL B 949 5.983 47.546 18.283 1.00 9.99 H new ATOM 0 HG11 VAL B 949 7.320 49.316 17.446 1.00 10.37 H new ATOM 0 HG12 VAL B 949 7.907 48.762 18.809 1.00 10.37 H new ATOM 0 HG13 VAL B 949 8.570 48.343 17.433 1.00 10.37 H new ATOM 0 HG21 VAL B 949 5.932 47.887 15.971 1.00 11.30 H new ATOM 0 HG22 VAL B 949 7.083 46.813 15.796 1.00 11.30 H new ATOM 0 HG23 VAL B 949 5.662 46.370 16.337 1.00 11.30 H new ATOM 939 N THR B 950 5.432 44.875 19.081 1.00 9.69 N ATOM 940 CA THR B 950 4.416 43.833 18.950 1.00 10.12 C ATOM 941 C THR B 950 3.061 44.406 18.461 1.00 9.89 C ATOM 942 O THR B 950 2.561 45.380 19.035 1.00 10.83 O ATOM 943 CB THR B 950 4.214 43.069 20.252 1.00 12.38 C ATOM 944 OG1 THR B 950 5.417 42.387 20.583 1.00 12.79 O ATOM 945 CG2 THR B 950 3.148 42.043 20.133 1.00 11.21 C ATOM 0 H THR B 950 5.256 45.457 19.690 1.00 9.69 H new ATOM 0 HA THR B 950 4.747 43.214 18.280 1.00 10.12 H new ATOM 0 HB THR B 950 3.962 43.715 20.930 1.00 12.38 H new ATOM 0 HG1 THR B 950 6.038 42.945 20.681 1.00 12.79 H new ATOM 0 HG21 THR B 950 3.049 41.579 20.979 1.00 11.21 H new ATOM 0 HG22 THR B 950 2.310 42.472 19.900 1.00 11.21 H new ATOM 0 HG23 THR B 950 3.387 41.406 19.442 1.00 11.21 H new ATOM 946 N ILE B 951 2.555 43.865 17.366 1.00 9.02 N ATOM 947 CA ILE B 951 1.203 44.111 16.921 1.00 9.09 C ATOM 948 C ILE B 951 0.305 43.207 17.693 1.00 10.28 C ATOM 949 O ILE B 951 0.560 41.988 17.734 1.00 9.98 O ATOM 950 CB ILE B 951 1.025 43.900 15.418 1.00 9.20 C ATOM 951 CG1 ILE B 951 1.999 44.729 14.570 1.00 10.23 C ATOM 952 CG2 ILE B 951 -0.424 44.123 15.033 1.00 8.88 C ATOM 953 CD1 ILE B 951 1.990 44.276 13.095 1.00 10.46 C ATOM 0 H ILE B 951 2.998 43.335 16.853 1.00 9.02 H new ATOM 0 HA ILE B 951 0.982 45.042 17.081 1.00 9.09 H new ATOM 0 HB ILE B 951 1.254 42.978 15.220 1.00 9.20 H new ATOM 0 HG12 ILE B 951 1.759 45.667 14.623 1.00 10.23 H new ATOM 0 HG13 ILE B 951 2.896 44.645 14.930 1.00 10.23 H new ATOM 0 HG21 ILE B 951 -0.530 43.988 14.078 1.00 8.88 H new ATOM 0 HG22 ILE B 951 -0.987 43.495 15.513 1.00 8.88 H new ATOM 0 HG23 ILE B 951 -0.684 45.029 15.261 1.00 8.88 H new ATOM 0 HD11 ILE B 951 2.614 44.817 12.586 1.00 10.46 H new ATOM 0 HD12 ILE B 951 2.253 43.344 13.041 1.00 10.46 H new ATOM 0 HD13 ILE B 951 1.098 44.382 12.729 1.00 10.46 H new ATOM 954 N PHE B 952 -0.735 43.748 18.322 1.00 10.15 N ATOM 955 CA PHE B 952 -1.706 42.898 18.986 1.00 10.84 C ATOM 956 C PHE B 952 -3.131 43.114 18.495 1.00 10.39 C ATOM 957 O PHE B 952 -3.488 44.192 17.978 1.00 10.35 O ATOM 958 CB PHE B 952 -1.691 43.104 20.525 1.00 10.74 C ATOM 959 CG PHE B 952 -2.328 44.355 20.971 1.00 11.72 C ATOM 960 CD1 PHE B 952 -1.594 45.516 21.043 1.00 12.33 C ATOM 961 CD2 PHE B 952 -3.641 44.367 21.401 1.00 12.02 C ATOM 962 CE1 PHE B 952 -2.171 46.708 21.489 1.00 13.87 C ATOM 963 CE2 PHE B 952 -4.228 45.569 21.807 1.00 13.25 C ATOM 964 CZ PHE B 952 -3.489 46.733 21.844 1.00 13.48 C ATOM 0 H PHE B 952 -0.892 44.592 18.374 1.00 10.15 H new ATOM 0 HA PHE B 952 -1.436 41.993 18.764 1.00 10.84 H new ATOM 0 HB2 PHE B 952 -2.141 42.355 20.946 1.00 10.74 H new ATOM 0 HB3 PHE B 952 -0.772 43.092 20.834 1.00 10.74 H new ATOM 0 HD1 PHE B 952 -0.699 45.508 20.791 1.00 12.33 H new ATOM 0 HD2 PHE B 952 -4.133 43.578 21.420 1.00 12.02 H new ATOM 0 HE1 PHE B 952 -1.659 47.482 21.544 1.00 13.87 H new ATOM 0 HE2 PHE B 952 -5.124 45.584 22.054 1.00 13.25 H new ATOM 0 HZ PHE B 952 -3.887 47.531 22.109 1.00 13.48 H new ATOM 965 N PHE B 953 -3.915 42.063 18.634 1.00 8.76 N ATOM 966 CA PHE B 953 -5.291 42.057 18.249 1.00 9.03 C ATOM 967 C PHE B 953 -6.054 41.250 19.292 1.00 9.18 C ATOM 968 O PHE B 953 -5.825 40.025 19.474 1.00 9.60 O ATOM 969 CB PHE B 953 -5.445 41.458 16.847 1.00 9.31 C ATOM 970 CG PHE B 953 -6.861 41.499 16.284 1.00 9.38 C ATOM 971 CD1 PHE B 953 -7.301 42.583 15.567 1.00 9.06 C ATOM 972 CD2 PHE B 953 -7.752 40.462 16.527 1.00 9.67 C ATOM 973 CE1 PHE B 953 -8.589 42.622 15.019 1.00 8.96 C ATOM 974 CE2 PHE B 953 -9.015 40.487 15.980 1.00 9.72 C ATOM 975 CZ PHE B 953 -9.449 41.583 15.240 1.00 9.80 C ATOM 0 H PHE B 953 -3.646 41.316 18.965 1.00 8.76 H new ATOM 0 HA PHE B 953 -5.647 42.959 18.211 1.00 9.03 H new ATOM 0 HB2 PHE B 953 -4.856 41.933 16.240 1.00 9.31 H new ATOM 0 HB3 PHE B 953 -5.146 40.535 16.869 1.00 9.31 H new ATOM 0 HD1 PHE B 953 -6.731 43.308 15.442 1.00 9.06 H new ATOM 0 HD2 PHE B 953 -7.494 39.747 17.062 1.00 9.67 H new ATOM 0 HE1 PHE B 953 -8.858 43.351 14.508 1.00 8.96 H new ATOM 0 HE2 PHE B 953 -9.585 39.763 16.106 1.00 9.72 H new ATOM 0 HZ PHE B 953 -10.314 41.608 14.900 1.00 9.80 H new ATOM 976 N ALA B 954 -6.976 41.957 19.945 1.00 9.68 N ATOM 977 CA ALA B 954 -7.707 41.382 21.090 1.00 10.29 C ATOM 978 C ALA B 954 -9.190 41.367 20.760 1.00 10.00 C ATOM 979 O ALA B 954 -9.869 42.380 21.013 1.00 10.66 O ATOM 980 CB ALA B 954 -7.445 42.236 22.339 1.00 10.57 C ATOM 0 H ALA B 954 -7.196 42.765 19.748 1.00 9.68 H new ATOM 0 HA ALA B 954 -7.407 40.476 21.264 1.00 10.29 H new ATOM 0 HB1 ALA B 954 -7.924 41.861 23.094 1.00 10.57 H new ATOM 0 HB2 ALA B 954 -6.494 42.245 22.532 1.00 10.57 H new ATOM 0 HB3 ALA B 954 -7.751 43.143 22.181 1.00 10.57 H new ATOM 981 N PRO B 955 -9.688 40.288 20.167 1.00 11.14 N ATOM 982 CA PRO B 955 -11.085 40.305 19.756 1.00 11.65 C ATOM 983 C PRO B 955 -12.009 40.190 20.986 1.00 11.72 C ATOM 984 O PRO B 955 -11.609 39.620 22.010 1.00 14.16 O ATOM 985 CB PRO B 955 -11.209 39.096 18.891 1.00 13.03 C ATOM 986 CG PRO B 955 -10.117 38.153 19.301 1.00 13.93 C ATOM 987 CD PRO B 955 -9.054 38.998 19.900 1.00 11.91 C ATOM 0 HA PRO B 955 -11.338 41.123 19.300 1.00 11.65 H new ATOM 0 HB2 PRO B 955 -12.079 38.682 19.001 1.00 13.03 H new ATOM 0 HB3 PRO B 955 -11.124 39.333 17.954 1.00 13.03 H new ATOM 0 HG2 PRO B 955 -10.443 37.500 19.940 1.00 13.93 H new ATOM 0 HG3 PRO B 955 -9.779 37.659 18.538 1.00 13.93 H new ATOM 0 HD2 PRO B 955 -8.711 38.602 20.716 1.00 11.91 H new ATOM 0 HD3 PRO B 955 -8.303 39.096 19.294 1.00 11.91 H new ATOM 988 N THR B 956 -13.202 40.663 20.799 1.00 11.34 N ATOM 989 CA THR B 956 -14.242 40.591 21.812 1.00 11.86 C ATOM 990 C THR B 956 -15.080 39.349 21.735 1.00 11.80 C ATOM 991 O THR B 956 -15.894 39.123 22.675 1.00 13.91 O ATOM 992 CB THR B 956 -15.097 41.881 21.736 1.00 11.65 C ATOM 993 OG1 THR B 956 -15.662 41.997 20.439 1.00 11.56 O ATOM 994 CG2 THR B 956 -14.319 43.093 22.109 1.00 13.37 C ATOM 0 H THR B 956 -13.451 41.046 20.070 1.00 11.34 H new ATOM 0 HA THR B 956 -13.812 40.532 22.680 1.00 11.86 H new ATOM 0 HB THR B 956 -15.814 41.813 22.386 1.00 11.65 H new ATOM 0 HG1 THR B 956 -15.919 42.787 20.315 1.00 11.56 H new ATOM 0 HG21 THR B 956 -14.889 43.875 22.048 1.00 13.37 H new ATOM 0 HG22 THR B 956 -13.992 43.001 23.018 1.00 13.37 H new ATOM 0 HG23 THR B 956 -13.567 43.194 21.504 1.00 13.37 H new ATOM 995 N THR B 957 -14.914 38.534 20.704 1.00 12.02 N ATOM 996 CA THR B 957 -15.437 37.201 20.602 1.00 12.12 C ATOM 997 C THR B 957 -14.238 36.334 20.254 1.00 12.17 C ATOM 998 O THR B 957 -13.426 36.702 19.399 1.00 12.10 O ATOM 999 CB THR B 957 -16.526 37.158 19.504 1.00 12.80 C ATOM 1000 OG1 THR B 957 -17.634 37.987 19.892 1.00 13.84 O ATOM 1001 CG2 THR B 957 -16.985 35.813 19.305 1.00 13.60 C ATOM 0 H THR B 957 -14.465 38.766 20.008 1.00 12.02 H new ATOM 0 HA THR B 957 -15.859 36.890 21.418 1.00 12.12 H new ATOM 0 HB THR B 957 -16.144 37.486 18.675 1.00 12.80 H new ATOM 0 HG1 THR B 957 -17.525 38.762 19.586 1.00 13.84 H new ATOM 0 HG21 THR B 957 -17.666 35.802 18.615 1.00 13.60 H new ATOM 0 HG22 THR B 957 -16.241 35.254 19.033 1.00 13.60 H new ATOM 0 HG23 THR B 957 -17.359 35.473 20.133 1.00 13.60 H new ATOM 1002 N GLU B 958 -14.137 35.172 20.883 1.00 12.79 N ATOM 1003 CA GLU B 958 -13.072 34.237 20.541 1.00 14.29 C ATOM 1004 C GLU B 958 -13.048 33.985 19.022 1.00 13.96 C ATOM 1005 O GLU B 958 -14.087 33.802 18.398 1.00 13.37 O ATOM 1006 CB GLU B 958 -13.271 32.920 21.247 1.00 18.12 C ATOM 1007 CG GLU B 958 -12.177 31.904 20.934 1.00 21.10 C ATOM 1008 CD GLU B 958 -12.256 30.640 21.783 1.00 29.13 C ATOM 1009 OE1 GLU B 958 -12.670 30.727 22.935 1.00 35.14 O ATOM 1010 OE2 GLU B 958 -11.868 29.581 21.285 1.00 34.70 O ATOM 0 H GLU B 958 -14.668 34.906 21.505 1.00 12.79 H new ATOM 0 HA GLU B 958 -12.231 34.630 20.822 1.00 14.29 H new ATOM 0 HB2 GLU B 958 -13.299 33.073 22.204 1.00 18.12 H new ATOM 0 HB3 GLU B 958 -14.131 32.550 20.994 1.00 18.12 H new ATOM 0 HG2 GLU B 958 -12.232 31.659 19.997 1.00 21.10 H new ATOM 0 HG3 GLU B 958 -11.311 32.321 21.068 1.00 21.10 H new ATOM 1011 N ALA B 959 -11.853 34.079 18.469 1.00 12.43 N ATOM 1012 CA ALA B 959 -11.604 33.892 17.019 1.00 12.15 C ATOM 1013 C ALA B 959 -10.923 32.559 16.752 1.00 12.08 C ATOM 1014 O ALA B 959 -10.004 32.153 17.468 1.00 12.87 O ATOM 1015 CB ALA B 959 -10.732 35.011 16.548 1.00 10.88 C ATOM 0 H ALA B 959 -11.142 34.256 18.919 1.00 12.43 H new ATOM 0 HA ALA B 959 -12.449 33.894 16.542 1.00 12.15 H new ATOM 0 HB1 ALA B 959 -10.556 34.908 15.600 1.00 10.88 H new ATOM 0 HB2 ALA B 959 -11.179 35.858 16.703 1.00 10.88 H new ATOM 0 HB3 ALA B 959 -9.893 34.995 17.035 1.00 10.88 H new ATOM 1016 N ARG B 960 -11.315 31.875 15.683 1.00 11.26 N ATOM 1017 CA ARG B 960 -10.603 30.669 15.308 1.00 11.54 C ATOM 1018 C ARG B 960 -9.232 30.959 14.706 1.00 10.93 C ATOM 1019 O ARG B 960 -8.303 30.142 14.814 1.00 12.82 O ATOM 1020 CB ARG B 960 -11.406 29.908 14.318 1.00 12.94 C ATOM 1021 CG ARG B 960 -12.631 29.197 14.903 1.00 15.74 C ATOM 1022 CD ARG B 960 -13.046 28.140 13.938 1.00 19.17 C ATOM 1023 NE ARG B 960 -13.863 28.767 12.922 1.00 24.69 N ATOM 1024 CZ ARG B 960 -13.674 28.738 11.596 1.00 25.27 C ATOM 1025 NH1 ARG B 960 -12.632 28.092 11.035 1.00 22.38 N ATOM 1026 NH2 ARG B 960 -14.616 29.370 10.841 1.00 24.28 N ATOM 0 H ARG B 960 -11.975 32.088 15.174 1.00 11.26 H new ATOM 0 HA ARG B 960 -10.469 30.154 16.119 1.00 11.54 H new ATOM 0 HB2 ARG B 960 -11.701 30.516 13.622 1.00 12.94 H new ATOM 0 HB3 ARG B 960 -10.835 29.248 13.895 1.00 12.94 H new ATOM 0 HG2 ARG B 960 -12.418 28.806 15.765 1.00 15.74 H new ATOM 0 HG3 ARG B 960 -13.353 29.828 15.048 1.00 15.74 H new ATOM 0 HD2 ARG B 960 -12.268 27.720 13.538 1.00 19.17 H new ATOM 0 HD3 ARG B 960 -13.544 27.442 14.392 1.00 19.17 H new ATOM 0 HE ARG B 960 -14.547 29.208 13.201 1.00 24.69 H new ATOM 0 HH11 ARG B 960 -12.063 27.681 11.532 1.00 22.38 H new ATOM 0 HH12 ARG B 960 -12.537 28.091 10.180 1.00 22.38 H new ATOM 0 HH21 ARG B 960 -15.283 29.757 11.221 1.00 24.28 H new ATOM 0 HH22 ARG B 960 -14.543 29.382 9.984 1.00 24.28 H new ATOM 1027 N TYR B 961 -9.092 32.143 14.107 1.00 10.18 N ATOM 1028 CA TYR B 961 -7.836 32.589 13.534 1.00 9.92 C ATOM 1029 C TYR B 961 -7.864 34.084 13.373 1.00 9.81 C ATOM 1030 O TYR B 961 -8.923 34.704 13.218 1.00 9.38 O ATOM 1031 CB TYR B 961 -7.509 31.931 12.182 1.00 9.36 C ATOM 1032 CG TYR B 961 -8.610 32.099 11.105 1.00 9.38 C ATOM 1033 CD1 TYR B 961 -8.627 33.221 10.252 1.00 10.00 C ATOM 1034 CD2 TYR B 961 -9.588 31.168 10.912 1.00 9.73 C ATOM 1035 CE1 TYR B 961 -9.610 33.367 9.271 1.00 9.14 C ATOM 1036 CE2 TYR B 961 -10.583 31.323 9.952 1.00 10.17 C ATOM 1037 CZ TYR B 961 -10.616 32.420 9.174 1.00 9.50 C ATOM 1038 OH TYR B 961 -11.588 32.586 8.200 1.00 10.54 O ATOM 0 H TYR B 961 -9.733 32.710 14.025 1.00 10.18 H new ATOM 0 HA TYR B 961 -7.136 32.319 14.149 1.00 9.92 H new ATOM 0 HB2 TYR B 961 -6.681 32.307 11.844 1.00 9.36 H new ATOM 0 HB3 TYR B 961 -7.353 30.984 12.325 1.00 9.36 H new ATOM 0 HD1 TYR B 961 -7.972 33.875 10.344 1.00 10.00 H new ATOM 0 HD2 TYR B 961 -9.590 30.403 11.441 1.00 9.73 H new ATOM 0 HE1 TYR B 961 -9.589 34.092 8.689 1.00 9.14 H new ATOM 0 HE2 TYR B 961 -11.230 30.663 9.847 1.00 10.17 H new ATOM 0 HH TYR B 961 -11.231 32.864 7.492 1.00 10.54 H new ATOM 1039 N VAL B 962 -6.663 34.659 13.364 1.00 9.08 N ATOM 1040 CA VAL B 962 -6.481 36.085 13.036 1.00 8.40 C ATOM 1041 C VAL B 962 -5.196 36.162 12.256 1.00 8.89 C ATOM 1042 O VAL B 962 -4.130 35.667 12.684 1.00 8.68 O ATOM 1043 CB VAL B 962 -6.345 37.019 14.244 1.00 8.79 C ATOM 1044 CG1 VAL B 962 -6.198 38.454 13.782 1.00 9.22 C ATOM 1045 CG2 VAL B 962 -7.558 36.930 15.181 1.00 8.74 C ATOM 0 H VAL B 962 -5.933 34.243 13.545 1.00 9.08 H new ATOM 0 HA VAL B 962 -7.273 36.381 12.560 1.00 8.40 H new ATOM 0 HB VAL B 962 -5.556 36.736 14.731 1.00 8.79 H new ATOM 0 HG11 VAL B 962 -6.113 39.035 14.554 1.00 9.22 H new ATOM 0 HG12 VAL B 962 -5.407 38.536 13.227 1.00 9.22 H new ATOM 0 HG13 VAL B 962 -6.980 38.711 13.269 1.00 9.22 H new ATOM 0 HG21 VAL B 962 -7.434 37.534 15.930 1.00 8.74 H new ATOM 0 HG22 VAL B 962 -8.361 37.178 14.696 1.00 8.74 H new ATOM 0 HG23 VAL B 962 -7.647 36.022 15.510 1.00 8.74 H new ATOM 1046 N ASP B 963 -5.297 36.763 11.059 1.00 8.56 N ATOM 1047 CA ASP B 963 -4.079 37.084 10.304 1.00 8.47 C ATOM 1048 C ASP B 963 -3.793 38.568 10.366 1.00 8.15 C ATOM 1049 O ASP B 963 -4.750 39.363 10.408 1.00 7.99 O ATOM 1050 CB ASP B 963 -4.290 36.760 8.827 1.00 8.91 C ATOM 1051 CG ASP B 963 -4.630 35.322 8.591 1.00 11.02 C ATOM 1052 OD1 ASP B 963 -4.031 34.470 9.230 1.00 9.67 O ATOM 1053 OD2 ASP B 963 -5.504 35.057 7.774 1.00 16.17 O ATOM 0 H ASP B 963 -6.036 36.986 10.679 1.00 8.56 H new ATOM 0 HA ASP B 963 -3.352 36.570 10.689 1.00 8.47 H new ATOM 0 HB2 ASP B 963 -5.002 37.318 8.476 1.00 8.91 H new ATOM 0 HB3 ASP B 963 -3.485 36.983 8.333 1.00 8.91 H new ATOM 1054 N VAL B 964 -2.503 38.948 10.293 1.00 7.13 N ATOM 1055 CA VAL B 964 -2.119 40.299 10.176 1.00 7.43 C ATOM 1056 C VAL B 964 -1.508 40.570 8.796 1.00 7.77 C ATOM 1057 O VAL B 964 -0.801 39.743 8.260 1.00 8.32 O ATOM 1058 CB VAL B 964 -1.135 40.768 11.298 1.00 8.04 C ATOM 1059 CG1 VAL B 964 0.178 39.985 11.298 1.00 8.84 C ATOM 1060 CG2 VAL B 964 -0.969 42.283 11.252 1.00 7.94 C ATOM 0 H VAL B 964 -1.843 38.397 10.313 1.00 7.13 H new ATOM 0 HA VAL B 964 -2.932 40.818 10.283 1.00 7.43 H new ATOM 0 HB VAL B 964 -1.526 40.558 12.161 1.00 8.04 H new ATOM 0 HG11 VAL B 964 0.750 40.313 12.009 1.00 8.84 H new ATOM 0 HG12 VAL B 964 -0.007 39.043 11.440 1.00 8.84 H new ATOM 0 HG13 VAL B 964 0.624 40.101 10.445 1.00 8.84 H new ATOM 0 HG21 VAL B 964 -0.358 42.563 11.951 1.00 7.94 H new ATOM 0 HG22 VAL B 964 -0.613 42.544 10.388 1.00 7.94 H new ATOM 0 HG23 VAL B 964 -1.831 42.707 11.388 1.00 7.94 H new ATOM 1061 N HIS B 965 -1.901 41.693 8.211 1.00 7.02 N ATOM 1062 CA HIS B 965 -1.414 42.161 6.911 1.00 7.43 C ATOM 1063 C HIS B 965 -0.548 43.367 7.173 1.00 8.07 C ATOM 1064 O HIS B 965 -0.997 44.309 7.853 1.00 9.05 O ATOM 1065 CB HIS B 965 -2.661 42.536 6.035 1.00 6.62 C ATOM 1066 CG HIS B 965 -3.725 41.525 6.008 1.00 6.72 C ATOM 1067 ND1 HIS B 965 -3.578 40.267 5.451 1.00 6.98 N ATOM 1068 CD2 HIS B 965 -4.996 41.562 6.494 1.00 7.05 C ATOM 1069 CE1 HIS B 965 -4.685 39.576 5.606 1.00 7.47 C ATOM 1070 NE2 HIS B 965 -5.563 40.339 6.238 1.00 7.18 N ATOM 0 H HIS B 965 -2.476 42.224 8.567 1.00 7.02 H new ATOM 0 HA HIS B 965 -0.897 41.488 6.441 1.00 7.43 H new ATOM 0 HB2 HIS B 965 -3.033 43.369 6.365 1.00 6.62 H new ATOM 0 HB3 HIS B 965 -2.364 42.698 5.126 1.00 6.62 H new ATOM 0 HD1 HIS B 965 -2.867 39.980 5.061 1.00 6.98 H new ATOM 0 HD2 HIS B 965 -5.404 42.281 6.920 1.00 7.05 H new ATOM 0 HE1 HIS B 965 -4.827 38.702 5.321 1.00 7.47 H new ATOM 1071 N LEU B 966 0.708 43.364 6.711 1.00 8.22 N ATOM 1072 CA LEU B 966 1.562 44.438 7.032 1.00 10.35 C ATOM 1073 C LEU B 966 2.496 44.932 5.956 1.00 9.74 C ATOM 1074 O LEU B 966 2.920 44.151 5.077 1.00 8.92 O ATOM 1075 CB LEU B 966 2.284 44.162 8.316 1.00 14.70 C ATOM 1076 CG LEU B 966 3.279 43.098 8.340 1.00 17.02 C ATOM 1077 CD1 LEU B 966 4.378 43.501 9.316 1.00 23.80 C ATOM 1078 CD2 LEU B 966 2.633 41.876 8.894 1.00 20.43 C ATOM 0 H LEU B 966 1.054 42.748 6.221 1.00 8.22 H new ATOM 0 HA LEU B 966 0.959 45.191 7.135 1.00 10.35 H new ATOM 0 HB2 LEU B 966 2.723 44.983 8.590 1.00 14.70 H new ATOM 0 HB3 LEU B 966 1.618 43.958 8.991 1.00 14.70 H new ATOM 0 HG LEU B 966 3.632 42.942 7.450 1.00 17.02 H new ATOM 0 HD11 LEU B 966 5.053 42.805 9.348 1.00 23.80 H new ATOM 0 HD12 LEU B 966 4.784 44.332 9.022 1.00 23.80 H new ATOM 0 HD13 LEU B 966 3.997 43.623 10.200 1.00 23.80 H new ATOM 0 HD21 LEU B 966 3.278 41.152 8.920 1.00 20.43 H new ATOM 0 HD22 LEU B 966 2.315 42.057 9.792 1.00 20.43 H new ATOM 0 HD23 LEU B 966 1.885 41.622 8.331 1.00 20.43 H new ATOM 1079 N LYS B 967 2.745 46.241 5.989 1.00 9.73 N ATOM 1080 CA LYS B 967 3.604 46.859 5.013 1.00 10.25 C ATOM 1081 C LYS B 967 4.508 47.816 5.740 1.00 10.28 C ATOM 1082 O LYS B 967 3.997 48.576 6.577 1.00 10.92 O ATOM 1083 CB LYS B 967 2.779 47.709 4.042 1.00 12.02 C ATOM 1084 CG LYS B 967 1.714 47.063 3.239 1.00 14.61 C ATOM 1085 CD LYS B 967 0.934 48.052 2.455 1.00 14.15 C ATOM 1086 CE LYS B 967 -0.091 48.886 3.088 1.00 13.46 C ATOM 1087 NZ LYS B 967 -0.999 49.443 1.967 1.00 14.22 N ATOM 0 H LYS B 967 2.420 46.781 6.574 1.00 9.73 H new ATOM 0 HA LYS B 967 4.088 46.168 4.535 1.00 10.25 H new ATOM 0 HB2 LYS B 967 2.366 48.421 4.556 1.00 12.02 H new ATOM 0 HB3 LYS B 967 3.397 48.128 3.423 1.00 12.02 H new ATOM 0 HG2 LYS B 967 2.112 46.415 2.637 1.00 14.61 H new ATOM 0 HG3 LYS B 967 1.117 46.574 3.827 1.00 14.61 H new ATOM 0 HD2 LYS B 967 1.573 48.654 2.043 1.00 14.15 H new ATOM 0 HD3 LYS B 967 0.499 47.565 1.738 1.00 14.15 H new ATOM 0 HE2 LYS B 967 -0.611 48.366 3.720 1.00 13.46 H new ATOM 0 HE3 LYS B 967 0.319 49.611 3.586 1.00 13.46 H new ATOM 0 HZ1 LYS B 967 -1.529 50.075 2.301 1.00 14.22 H new ATOM 0 HZ2 LYS B 967 -0.495 49.790 1.321 1.00 14.22 H new ATOM 0 HZ3 LYS B 967 -1.497 48.785 1.634 1.00 14.22 H new ATOM 1088 N VAL B 968 5.795 47.851 5.413 1.00 8.89 N ATOM 1089 CA VAL B 968 6.729 48.815 6.000 1.00 9.52 C ATOM 1090 C VAL B 968 7.200 49.806 4.935 1.00 10.63 C ATOM 1091 O VAL B 968 7.670 49.379 3.862 1.00 9.60 O ATOM 1092 CB VAL B 968 7.869 48.147 6.705 1.00 9.97 C ATOM 1093 CG1 VAL B 968 8.899 49.170 7.263 1.00 11.94 C ATOM 1094 CG2 VAL B 968 7.360 47.259 7.816 1.00 10.19 C ATOM 0 H VAL B 968 6.155 47.317 4.844 1.00 8.89 H new ATOM 0 HA VAL B 968 6.257 49.314 6.685 1.00 9.52 H new ATOM 0 HB VAL B 968 8.329 47.603 6.047 1.00 9.97 H new ATOM 0 HG11 VAL B 968 9.617 48.695 7.710 1.00 11.94 H new ATOM 0 HG12 VAL B 968 9.263 49.694 6.532 1.00 11.94 H new ATOM 0 HG13 VAL B 968 8.459 49.760 7.895 1.00 11.94 H new ATOM 0 HG21 VAL B 968 8.110 46.835 8.261 1.00 10.19 H new ATOM 0 HG22 VAL B 968 6.865 47.793 8.456 1.00 10.19 H new ATOM 0 HG23 VAL B 968 6.778 46.578 7.445 1.00 10.19 H new ATOM 1095 N ASN B 969 7.163 51.083 5.284 1.00 11.14 N ATOM 1096 CA ASN B 969 7.760 52.145 4.384 1.00 12.21 C ATOM 1097 C ASN B 969 7.280 51.994 2.956 1.00 14.65 C ATOM 1098 O ASN B 969 8.079 52.074 1.982 1.00 13.83 O ATOM 1099 CB ASN B 969 9.265 52.060 4.467 1.00 14.19 C ATOM 1100 CG ASN B 969 9.799 52.579 5.756 1.00 14.63 C ATOM 1101 OD1 ASN B 969 9.092 53.326 6.470 1.00 17.49 O ATOM 1102 ND2 ASN B 969 11.013 52.220 6.060 1.00 17.57 N ATOM 0 H ASN B 969 6.813 51.379 6.012 1.00 11.14 H new ATOM 0 HA ASN B 969 7.468 53.020 4.684 1.00 12.21 H new ATOM 0 HB2 ASN B 969 9.540 51.136 4.356 1.00 14.19 H new ATOM 0 HB3 ASN B 969 9.655 52.562 3.734 1.00 14.19 H new ATOM 0 HD21 ASN B 969 11.374 52.499 6.789 1.00 17.57 H new ATOM 0 HD22 ASN B 969 11.454 51.704 5.532 1.00 17.57 H new ATOM 1103 N ASN B 970 5.984 51.791 2.809 1.00 12.66 N ATOM 1104 CA ASN B 970 5.337 51.757 1.517 1.00 15.94 C ATOM 1105 C ASN B 970 5.837 50.570 0.638 1.00 14.96 C ATOM 1106 O ASN B 970 5.848 50.636 -0.592 1.00 17.23 O ATOM 1107 CB ASN B 970 5.616 53.076 0.841 1.00 18.72 C ATOM 1108 CG ASN B 970 4.560 53.469 -0.141 1.00 25.40 C ATOM 1109 OD1 ASN B 970 3.678 52.655 -0.569 1.00 28.73 O ATOM 1110 ND2 ASN B 970 4.655 54.777 -0.566 1.00 27.81 N ATOM 0 H ASN B 970 5.447 51.667 3.470 1.00 12.66 H new ATOM 0 HA ASN B 970 4.384 51.620 1.635 1.00 15.94 H new ATOM 0 HB2 ASN B 970 5.696 53.768 1.516 1.00 18.72 H new ATOM 0 HB3 ASN B 970 6.471 53.025 0.385 1.00 18.72 H new ATOM 0 HD21 ASN B 970 4.101 55.081 -1.149 1.00 27.81 H new ATOM 0 HD22 ASN B 970 5.268 55.289 -0.248 1.00 27.81 H new ATOM 1111 N GLY B 971 6.286 49.499 1.254 1.00 11.85 N ATOM 1112 CA GLY B 971 6.845 48.352 0.512 1.00 10.85 C ATOM 1113 C GLY B 971 5.801 47.287 0.283 1.00 10.14 C ATOM 1114 O GLY B 971 4.603 47.605 0.183 1.00 11.49 O ATOM 0 H GLY B 971 6.283 49.401 2.108 1.00 11.85 H new ATOM 0 HA2 GLY B 971 7.194 48.655 -0.341 1.00 10.85 H new ATOM 0 HA3 GLY B 971 7.590 47.976 1.006 1.00 10.85 H new ATOM 1115 N GLN B 972 6.251 46.054 0.134 1.00 9.25 N ATOM 1116 CA GLN B 972 5.387 44.922 -0.090 1.00 8.11 C ATOM 1117 C GLN B 972 4.554 44.559 1.123 1.00 7.91 C ATOM 1118 O GLN B 972 5.003 44.670 2.247 1.00 8.19 O ATOM 1119 CB GLN B 972 6.215 43.715 -0.508 1.00 8.27 C ATOM 1120 CG GLN B 972 6.919 43.898 -1.850 1.00 8.94 C ATOM 1121 CD GLN B 972 5.909 43.793 -2.980 1.00 8.61 C ATOM 1122 OE1 GLN B 972 4.898 43.072 -2.851 1.00 9.48 O ATOM 1123 NE2 GLN B 972 6.193 44.423 -4.067 1.00 9.21 N ATOM 0 H GLN B 972 7.086 45.851 0.161 1.00 9.25 H new ATOM 0 HA GLN B 972 4.772 45.178 -0.795 1.00 8.11 H new ATOM 0 HB2 GLN B 972 6.879 43.534 0.176 1.00 8.27 H new ATOM 0 HB3 GLN B 972 5.638 42.937 -0.556 1.00 8.27 H new ATOM 0 HG2 GLN B 972 7.360 44.762 -1.878 1.00 8.94 H new ATOM 0 HG3 GLN B 972 7.608 43.224 -1.958 1.00 8.94 H new ATOM 0 HE21 GLN B 972 6.901 44.909 -4.110 1.00 9.21 H new ATOM 0 HE22 GLN B 972 5.674 44.358 -4.750 1.00 9.21 H new ATOM 1124 N GLN B 973 3.345 44.090 0.852 1.00 7.18 N ATOM 1125 CA GLN B 973 2.509 43.589 1.916 1.00 7.15 C ATOM 1126 C GLN B 973 2.823 42.139 2.221 1.00 7.41 C ATOM 1127 O GLN B 973 2.981 41.318 1.272 1.00 7.41 O ATOM 1128 CB GLN B 973 1.039 43.630 1.524 1.00 7.11 C ATOM 1129 CG GLN B 973 0.090 43.038 2.556 1.00 7.55 C ATOM 1130 CD GLN B 973 -1.410 43.278 2.202 1.00 6.84 C ATOM 1131 OE1 GLN B 973 -1.787 44.306 1.639 1.00 7.71 O ATOM 1132 NE2 GLN B 973 -2.219 42.340 2.500 1.00 7.57 N ATOM 0 H GLN B 973 2.997 44.055 0.066 1.00 7.18 H new ATOM 0 HA GLN B 973 2.683 44.154 2.685 1.00 7.15 H new ATOM 0 HB2 GLN B 973 0.786 44.552 1.361 1.00 7.11 H new ATOM 0 HB3 GLN B 973 0.926 43.153 0.687 1.00 7.11 H new ATOM 0 HG2 GLN B 973 0.252 42.085 2.630 1.00 7.55 H new ATOM 0 HG3 GLN B 973 0.280 43.426 3.424 1.00 7.55 H new ATOM 0 HE21 GLN B 973 -1.930 41.632 2.893 1.00 7.57 H new ATOM 0 HE22 GLN B 973 -3.054 42.415 2.308 1.00 7.57 H new ATOM 1133 N LEU B 974 2.873 41.781 3.496 1.00 6.70 N ATOM 1134 CA LEU B 974 3.041 40.430 3.955 1.00 6.84 C ATOM 1135 C LEU B 974 1.863 40.008 4.814 1.00 7.04 C ATOM 1136 O LEU B 974 1.357 40.820 5.586 1.00 7.82 O ATOM 1137 CB LEU B 974 4.356 40.314 4.828 1.00 7.36 C ATOM 1138 CG LEU B 974 5.680 40.264 4.053 1.00 7.80 C ATOM 1139 CD1 LEU B 974 5.912 41.471 3.163 1.00 8.23 C ATOM 1140 CD2 LEU B 974 6.798 40.115 5.080 1.00 8.24 C ATOM 0 H LEU B 974 2.806 42.349 4.138 1.00 6.70 H new ATOM 0 HA LEU B 974 3.102 39.855 3.176 1.00 6.84 H new ATOM 0 HB2 LEU B 974 4.386 41.069 5.436 1.00 7.36 H new ATOM 0 HB3 LEU B 974 4.291 39.514 5.373 1.00 7.36 H new ATOM 0 HG LEU B 974 5.656 39.511 3.443 1.00 7.80 H new ATOM 0 HD11 LEU B 974 6.762 41.377 2.704 1.00 8.23 H new ATOM 0 HD12 LEU B 974 5.198 41.534 2.510 1.00 8.23 H new ATOM 0 HD13 LEU B 974 5.925 42.275 3.705 1.00 8.23 H new ATOM 0 HD21 LEU B 974 7.654 40.080 4.624 1.00 8.24 H new ATOM 0 HD22 LEU B 974 6.785 40.873 5.685 1.00 8.24 H new ATOM 0 HD23 LEU B 974 6.667 39.297 5.585 1.00 8.24 H new ATOM 1141 N ASN B 975 1.479 38.758 4.706 1.00 6.43 N ATOM 1142 CA ASN B 975 0.370 38.195 5.520 1.00 6.57 C ATOM 1143 C ASN B 975 0.929 37.143 6.431 1.00 6.99 C ATOM 1144 O ASN B 975 1.491 36.124 5.917 1.00 7.07 O ATOM 1145 CB ASN B 975 -0.719 37.630 4.628 1.00 6.77 C ATOM 1146 CG ASN B 975 -1.070 38.560 3.498 1.00 6.31 C ATOM 1147 OD1 ASN B 975 -1.404 39.749 3.769 1.00 7.45 O ATOM 1148 ND2 ASN B 975 -1.045 38.080 2.271 1.00 6.33 N ATOM 0 H ASN B 975 1.839 38.194 4.166 1.00 6.43 H new ATOM 0 HA ASN B 975 -0.035 38.897 6.053 1.00 6.57 H new ATOM 0 HB2 ASN B 975 -0.428 36.779 4.265 1.00 6.77 H new ATOM 0 HB3 ASN B 975 -1.512 37.456 5.159 1.00 6.77 H new ATOM 0 HD21 ASN B 975 -1.263 38.583 1.608 1.00 6.33 H new ATOM 0 HD22 ASN B 975 -0.811 37.264 2.133 1.00 6.33 H new ATOM 1149 N TYR B 976 0.724 37.298 7.720 1.00 6.62 N ATOM 1150 CA TYR B 976 1.064 36.242 8.674 1.00 7.17 C ATOM 1151 C TYR B 976 -0.091 35.858 9.499 1.00 7.39 C ATOM 1152 O TYR B 976 -0.813 36.705 10.026 1.00 7.70 O ATOM 1153 CB TYR B 976 2.177 36.702 9.609 1.00 7.23 C ATOM 1154 CG TYR B 976 3.577 36.865 9.092 1.00 6.84 C ATOM 1155 CD1 TYR B 976 4.448 35.758 8.890 1.00 7.09 C ATOM 1156 CD2 TYR B 976 4.081 38.130 8.750 1.00 6.98 C ATOM 1157 CE1 TYR B 976 5.763 35.935 8.446 1.00 6.71 C ATOM 1158 CE2 TYR B 976 5.347 38.280 8.243 1.00 7.37 C ATOM 1159 CZ TYR B 976 6.194 37.185 8.114 1.00 7.45 C ATOM 1160 OH TYR B 976 7.489 37.387 7.661 1.00 7.62 O ATOM 0 H TYR B 976 0.388 38.006 8.074 1.00 6.62 H new ATOM 0 HA TYR B 976 1.353 35.478 8.151 1.00 7.17 H new ATOM 0 HB2 TYR B 976 1.906 37.556 9.981 1.00 7.23 H new ATOM 0 HB3 TYR B 976 2.214 36.071 10.345 1.00 7.23 H new ATOM 0 HD1 TYR B 976 4.136 34.898 9.057 1.00 7.09 H new ATOM 0 HD2 TYR B 976 3.546 38.881 8.870 1.00 6.98 H new ATOM 0 HE1 TYR B 976 6.338 35.207 8.378 1.00 6.71 H new ATOM 0 HE2 TYR B 976 5.642 39.123 7.983 1.00 7.37 H new ATOM 0 HH TYR B 976 7.851 36.645 7.508 1.00 7.62 H new ATOM 1161 N ARG B 977 -0.198 34.563 9.734 1.00 7.38 N ATOM 1162 CA ARG B 977 -1.109 34.103 10.793 1.00 7.52 C ATOM 1163 C ARG B 977 -0.492 34.536 12.105 1.00 7.50 C ATOM 1164 O ARG B 977 0.678 34.253 12.352 1.00 8.16 O ATOM 1165 CB ARG B 977 -1.258 32.607 10.705 1.00 8.39 C ATOM 1166 CG ARG B 977 -2.054 31.962 11.815 1.00 8.35 C ATOM 1167 CD ARG B 977 -3.519 32.365 11.831 1.00 9.20 C ATOM 1168 NE ARG B 977 -4.261 32.015 10.604 1.00 10.03 N ATOM 1169 CZ ARG B 977 -4.777 30.832 10.318 1.00 10.61 C ATOM 1170 NH1 ARG B 977 -4.722 29.806 11.193 1.00 12.14 N ATOM 1171 NH2 ARG B 977 -5.469 30.697 9.240 1.00 11.93 N ATOM 0 H ARG B 977 0.227 33.945 9.314 1.00 7.38 H new ATOM 0 HA ARG B 977 -1.998 34.481 10.708 1.00 7.52 H new ATOM 0 HB2 ARG B 977 -1.679 32.390 9.859 1.00 8.39 H new ATOM 0 HB3 ARG B 977 -0.373 32.210 10.691 1.00 8.39 H new ATOM 0 HG2 ARG B 977 -1.993 30.998 11.728 1.00 8.35 H new ATOM 0 HG3 ARG B 977 -1.653 32.195 12.667 1.00 8.35 H new ATOM 0 HD2 ARG B 977 -3.951 31.942 12.589 1.00 9.20 H new ATOM 0 HD3 ARG B 977 -3.578 33.323 11.969 1.00 9.20 H new ATOM 0 HE ARG B 977 -4.367 32.638 10.021 1.00 10.03 H new ATOM 0 HH11 ARG B 977 -4.344 29.913 11.958 1.00 12.14 H new ATOM 0 HH12 ARG B 977 -5.065 29.045 10.985 1.00 12.14 H new ATOM 0 HH21 ARG B 977 -5.589 31.371 8.719 1.00 11.93 H new ATOM 0 HH22 ARG B 977 -5.811 29.933 9.041 1.00 11.93 H new ATOM 1172 N MET B 978 -1.283 35.241 12.928 1.00 7.26 N ATOM 1173 CA MET B 978 -0.809 35.717 14.206 1.00 7.83 C ATOM 1174 C MET B 978 -0.730 34.551 15.208 1.00 7.71 C ATOM 1175 O MET B 978 -1.324 33.511 14.995 1.00 8.76 O ATOM 1176 CB MET B 978 -1.738 36.833 14.722 1.00 7.99 C ATOM 1177 CG MET B 978 -1.835 38.040 13.765 1.00 7.50 C ATOM 1178 SD MET B 978 -2.802 39.387 14.525 1.00 8.47 S ATOM 1179 CE MET B 978 -1.514 40.161 15.477 1.00 9.27 C ATOM 0 H MET B 978 -2.099 35.448 12.751 1.00 7.26 H new ATOM 0 HA MET B 978 0.083 36.085 14.104 1.00 7.83 H new ATOM 0 HB2 MET B 978 -2.625 36.467 14.862 1.00 7.99 H new ATOM 0 HB3 MET B 978 -1.418 37.138 15.585 1.00 7.99 H new ATOM 0 HG2 MET B 978 -0.945 38.358 13.546 1.00 7.50 H new ATOM 0 HG3 MET B 978 -2.251 37.766 12.933 1.00 7.50 H new ATOM 0 HE1 MET B 978 -1.779 40.199 16.409 1.00 9.27 H new ATOM 0 HE2 MET B 978 -0.696 39.646 15.394 1.00 9.27 H new ATOM 0 HE3 MET B 978 -1.364 41.061 15.147 1.00 9.27 H new ATOM 1180 N THR B 979 0.036 34.762 16.277 1.00 8.80 N ATOM 1181 CA THR B 979 0.196 33.756 17.363 1.00 9.66 C ATOM 1182 C THR B 979 -0.801 34.062 18.446 1.00 8.70 C ATOM 1183 O THR B 979 -0.824 35.170 18.948 1.00 10.24 O ATOM 1184 CB THR B 979 1.575 33.891 17.904 1.00 10.61 C ATOM 1185 OG1 THR B 979 2.499 33.630 16.800 1.00 14.41 O ATOM 1186 CG2 THR B 979 1.838 32.861 19.054 1.00 11.30 C ATOM 0 H THR B 979 0.482 35.486 16.405 1.00 8.80 H new ATOM 0 HA THR B 979 0.051 32.855 17.034 1.00 9.66 H new ATOM 0 HB THR B 979 1.697 34.780 18.272 1.00 10.61 H new ATOM 0 HG1 THR B 979 2.661 34.348 16.395 1.00 14.41 H new ATOM 0 HG21 THR B 979 2.742 32.971 19.387 1.00 11.30 H new ATOM 0 HG22 THR B 979 1.207 33.013 19.775 1.00 11.30 H new ATOM 0 HG23 THR B 979 1.727 31.960 18.713 1.00 11.30 H new ATOM 1187 N GLU B 980 -1.640 33.107 18.778 1.00 10.36 N ATOM 1188 CA GLU B 980 -2.660 33.274 19.810 1.00 10.70 C ATOM 1189 C GLU B 980 -2.018 33.057 21.181 1.00 11.87 C ATOM 1190 O GLU B 980 -1.188 32.151 21.319 1.00 13.77 O ATOM 1191 CB GLU B 980 -3.784 32.254 19.603 1.00 11.51 C ATOM 1192 CG GLU B 980 -5.002 32.511 20.434 1.00 12.25 C ATOM 1193 CD GLU B 980 -4.982 31.829 21.767 1.00 12.76 C ATOM 1194 OE1 GLU B 980 -4.124 30.894 22.001 1.00 15.35 O ATOM 1195 OE2 GLU B 980 -5.871 32.192 22.563 1.00 13.04 O ATOM 0 H GLU B 980 -1.641 32.329 18.411 1.00 10.36 H new ATOM 0 HA GLU B 980 -3.033 34.168 19.757 1.00 10.70 H new ATOM 0 HB2 GLU B 980 -4.037 32.252 18.667 1.00 11.51 H new ATOM 0 HB3 GLU B 980 -3.446 31.368 19.807 1.00 11.51 H new ATOM 0 HG2 GLU B 980 -5.093 33.467 20.571 1.00 12.25 H new ATOM 0 HG3 GLU B 980 -5.786 32.219 19.943 1.00 12.25 H new ATOM 1196 N ARG B 981 -2.424 33.876 22.133 1.00 11.45 N ATOM 1197 CA ARG B 981 -1.987 33.742 23.546 1.00 12.56 C ATOM 1198 C ARG B 981 -3.108 34.207 24.407 1.00 12.17 C ATOM 1199 O ARG B 981 -3.357 35.441 24.534 1.00 12.90 O ATOM 1200 CB ARG B 981 -0.770 34.584 23.741 1.00 14.12 C ATOM 1201 CG ARG B 981 -0.120 34.400 25.093 1.00 15.73 C ATOM 1202 CD ARG B 981 1.242 35.109 25.211 1.00 16.89 C ATOM 1203 NE ARG B 981 1.166 36.562 25.080 1.00 17.13 N ATOM 1204 CZ ARG B 981 0.916 37.438 26.054 1.00 18.19 C ATOM 1205 NH1 ARG B 981 0.885 38.762 25.835 1.00 18.27 N ATOM 1206 NH2 ARG B 981 0.755 36.976 27.328 1.00 19.44 N ATOM 0 H ARG B 981 -2.962 34.532 21.995 1.00 11.45 H new ATOM 0 HA ARG B 981 -1.767 32.826 23.776 1.00 12.56 H new ATOM 0 HB2 ARG B 981 -0.125 34.372 23.048 1.00 14.12 H new ATOM 0 HB3 ARG B 981 -1.010 35.517 23.630 1.00 14.12 H new ATOM 0 HG2 ARG B 981 -0.715 34.738 25.780 1.00 15.73 H new ATOM 0 HG3 ARG B 981 -0.001 33.452 25.262 1.00 15.73 H new ATOM 0 HD2 ARG B 981 1.637 34.891 26.070 1.00 16.89 H new ATOM 0 HD3 ARG B 981 1.837 34.762 24.528 1.00 16.89 H new ATOM 0 HE ARG B 981 1.296 36.886 24.294 1.00 17.13 H new ATOM 0 HH11 ARG B 981 1.029 39.071 25.045 1.00 18.27 H new ATOM 0 HH12 ARG B 981 0.721 39.302 26.484 1.00 18.27 H new ATOM 0 HH21 ARG B 981 0.815 36.134 27.491 1.00 19.44 H new ATOM 0 HH22 ARG B 981 0.593 37.527 27.968 1.00 19.44 H new ATOM 1207 N ASN B 982 -3.783 33.202 24.982 1.00 15.19 N ATOM 1208 CA ASN B 982 -4.827 33.446 25.989 1.00 15.50 C ATOM 1209 C ASN B 982 -5.839 34.532 25.557 1.00 13.62 C ATOM 1210 O ASN B 982 -6.218 35.446 26.296 1.00 14.10 O ATOM 1211 CB ASN B 982 -4.196 33.783 27.334 1.00 19.58 C ATOM 1212 CG ASN B 982 -3.478 32.569 27.942 1.00 21.87 C ATOM 1213 OD1 ASN B 982 -3.792 31.419 27.660 1.00 21.05 O ATOM 1214 ND2 ASN B 982 -2.505 32.836 28.746 1.00 25.97 N ATOM 0 H ASN B 982 -3.651 32.371 24.802 1.00 15.19 H new ATOM 0 HA ASN B 982 -5.336 32.625 26.077 1.00 15.50 H new ATOM 0 HB2 ASN B 982 -3.565 34.511 27.223 1.00 19.58 H new ATOM 0 HB3 ASN B 982 -4.882 34.094 27.945 1.00 19.58 H new ATOM 0 HD21 ASN B 982 -2.054 32.196 29.103 1.00 25.97 H new ATOM 0 HD22 ASN B 982 -2.307 33.654 28.925 1.00 25.97 H new ATOM 1215 N GLY B 983 -6.294 34.386 24.329 1.00 13.27 N ATOM 1216 CA GLY B 983 -7.426 35.199 23.882 1.00 12.81 C ATOM 1217 C GLY B 983 -7.016 36.430 23.109 1.00 13.29 C ATOM 1218 O GLY B 983 -7.905 37.173 22.622 1.00 16.03 O ATOM 0 H GLY B 983 -5.977 33.839 23.746 1.00 13.27 H new ATOM 0 HA2 GLY B 983 -8.006 34.655 23.326 1.00 12.81 H new ATOM 0 HA3 GLY B 983 -7.946 35.470 24.655 1.00 12.81 H new ATOM 1219 N GLU B 984 -5.713 36.690 23.020 1.00 11.94 N ATOM 1220 CA GLU B 984 -5.211 37.796 22.179 1.00 12.31 C ATOM 1221 C GLU B 984 -4.355 37.151 21.121 1.00 10.81 C ATOM 1222 O GLU B 984 -3.965 36.003 21.227 1.00 11.75 O ATOM 1223 CB GLU B 984 -4.415 38.843 22.949 1.00 13.73 C ATOM 1224 CG GLU B 984 -5.167 39.505 24.101 1.00 15.05 C ATOM 1225 CD GLU B 984 -4.263 40.542 24.738 1.00 17.74 C ATOM 1226 OE1 GLU B 984 -3.210 40.186 25.325 1.00 20.16 O ATOM 1227 OE2 GLU B 984 -4.474 41.681 24.525 1.00 24.17 O ATOM 0 H GLU B 984 -5.102 36.246 23.432 1.00 11.94 H new ATOM 0 HA GLU B 984 -5.961 38.286 21.807 1.00 12.31 H new ATOM 0 HB2 GLU B 984 -3.613 38.426 23.301 1.00 13.73 H new ATOM 0 HB3 GLU B 984 -4.128 39.532 22.329 1.00 13.73 H new ATOM 0 HG2 GLU B 984 -5.980 39.922 23.776 1.00 15.05 H new ATOM 0 HG3 GLU B 984 -5.431 38.840 24.757 1.00 15.05 H new ATOM 1228 N TRP B 985 -4.040 37.933 20.101 1.00 10.13 N ATOM 1229 CA TRP B 985 -3.239 37.484 18.962 1.00 9.75 C ATOM 1230 C TRP B 985 -2.144 38.497 18.753 1.00 9.81 C ATOM 1231 O TRP B 985 -2.374 39.708 18.809 1.00 10.35 O ATOM 1232 CB TRP B 985 -4.152 37.421 17.713 1.00 9.04 C ATOM 1233 CG TRP B 985 -5.234 36.361 17.846 1.00 8.59 C ATOM 1234 CD1 TRP B 985 -6.388 36.471 18.547 1.00 8.06 C ATOM 1235 CD2 TRP B 985 -5.239 35.057 17.282 1.00 7.81 C ATOM 1236 NE1 TRP B 985 -7.092 35.338 18.470 1.00 9.13 N ATOM 1237 CE2 TRP B 985 -6.457 34.455 17.650 1.00 8.48 C ATOM 1238 CE3 TRP B 985 -4.371 34.348 16.426 1.00 8.26 C ATOM 1239 CZ2 TRP B 985 -6.795 33.178 17.283 1.00 8.61 C ATOM 1240 CZ3 TRP B 985 -4.756 33.055 16.069 1.00 8.71 C ATOM 1241 CH2 TRP B 985 -5.945 32.479 16.513 1.00 8.66 C ATOM 0 H TRP B 985 -4.288 38.755 20.045 1.00 10.13 H new ATOM 0 HA TRP B 985 -2.856 36.607 19.118 1.00 9.75 H new ATOM 0 HB2 TRP B 985 -4.565 38.287 17.572 1.00 9.04 H new ATOM 0 HB3 TRP B 985 -3.612 37.234 16.929 1.00 9.04 H new ATOM 0 HD1 TRP B 985 -6.653 37.229 19.016 1.00 8.06 H new ATOM 0 HE1 TRP B 985 -7.835 35.189 18.877 1.00 9.13 H new ATOM 0 HE3 TRP B 985 -3.580 34.724 16.114 1.00 8.26 H new ATOM 0 HZ2 TRP B 985 -7.599 32.802 17.562 1.00 8.61 H new ATOM 0 HZ3 TRP B 985 -4.198 32.559 15.514 1.00 8.71 H new ATOM 0 HH2 TRP B 985 -6.151 31.604 16.274 1.00 8.66 H new ATOM 1242 N GLU B 986 -0.920 38.006 18.468 1.00 9.25 N ATOM 1243 CA GLU B 986 0.245 38.827 18.453 1.00 10.04 C ATOM 1244 C GLU B 986 1.155 38.493 17.273 1.00 9.40 C ATOM 1245 O GLU B 986 1.209 37.361 16.749 1.00 9.83 O ATOM 1246 CB GLU B 986 1.052 38.706 19.756 1.00 11.32 C ATOM 1247 CG GLU B 986 0.319 39.115 20.977 1.00 12.75 C ATOM 1248 CD GLU B 986 1.126 38.835 22.238 1.00 14.86 C ATOM 1249 OE1 GLU B 986 1.673 37.739 22.371 1.00 20.25 O ATOM 1250 OE2 GLU B 986 1.054 39.698 23.117 1.00 16.55 O ATOM 0 H GLU B 986 -0.770 37.180 18.281 1.00 9.25 H new ATOM 0 HA GLU B 986 -0.072 39.739 18.364 1.00 10.04 H new ATOM 0 HB2 GLU B 986 1.340 37.786 19.859 1.00 11.32 H new ATOM 0 HB3 GLU B 986 1.853 39.247 19.678 1.00 11.32 H new ATOM 0 HG2 GLU B 986 0.112 40.061 20.929 1.00 12.75 H new ATOM 0 HG3 GLU B 986 -0.526 38.641 21.021 1.00 12.75 H new ATOM 1251 N ARG B 987 1.882 39.535 16.866 1.00 9.03 N ATOM 1252 CA ARG B 987 2.945 39.400 15.872 1.00 9.33 C ATOM 1253 C ARG B 987 4.019 40.431 16.117 1.00 10.09 C ATOM 1254 O ARG B 987 3.737 41.627 16.221 1.00 10.29 O ATOM 1255 CB ARG B 987 2.381 39.644 14.430 1.00 9.66 C ATOM 1256 CG ARG B 987 3.340 39.392 13.329 1.00 12.30 C ATOM 1257 CD ARG B 987 3.580 37.909 13.048 1.00 12.52 C ATOM 1258 NE ARG B 987 4.823 37.813 12.306 1.00 13.21 N ATOM 1259 CZ ARG B 987 5.474 36.730 12.086 1.00 12.88 C ATOM 1260 NH1 ARG B 987 5.001 35.551 12.520 1.00 15.58 N ATOM 1261 NH2 ARG B 987 6.635 36.826 11.459 1.00 15.73 N ATOM 0 H ARG B 987 1.772 40.336 17.158 1.00 9.03 H new ATOM 0 HA ARG B 987 3.306 38.503 15.947 1.00 9.33 H new ATOM 0 HB2 ARG B 987 1.605 39.076 14.301 1.00 9.66 H new ATOM 0 HB3 ARG B 987 2.074 40.562 14.369 1.00 9.66 H new ATOM 0 HG2 ARG B 987 3.011 39.817 12.521 1.00 12.30 H new ATOM 0 HG3 ARG B 987 4.187 39.813 13.546 1.00 12.30 H new ATOM 0 HD2 ARG B 987 3.635 37.407 13.876 1.00 12.52 H new ATOM 0 HD3 ARG B 987 2.846 37.533 12.537 1.00 12.52 H new ATOM 0 HE ARG B 987 5.150 38.542 11.988 1.00 13.21 H new ATOM 0 HH11 ARG B 987 4.256 35.518 12.949 1.00 15.58 H new ATOM 0 HH12 ARG B 987 5.443 34.829 12.369 1.00 15.58 H new ATOM 0 HH21 ARG B 987 6.929 37.596 11.214 1.00 15.73 H new ATOM 0 HH22 ARG B 987 7.096 36.118 11.297 1.00 15.73 H new ATOM 1262 N VAL B 988 5.255 39.986 16.139 1.00 9.57 N ATOM 1263 CA VAL B 988 6.417 40.854 16.378 1.00 10.39 C ATOM 1264 C VAL B 988 6.987 41.345 15.063 1.00 11.44 C ATOM 1265 O VAL B 988 7.079 40.557 14.110 1.00 11.35 O ATOM 1266 CB VAL B 988 7.476 40.074 17.136 1.00 11.86 C ATOM 1267 CG1 VAL B 988 8.708 40.938 17.351 1.00 12.15 C ATOM 1268 CG2 VAL B 988 6.943 39.646 18.481 1.00 11.84 C ATOM 0 H VAL B 988 5.460 39.160 16.015 1.00 9.57 H new ATOM 0 HA VAL B 988 6.138 41.622 16.901 1.00 10.39 H new ATOM 0 HB VAL B 988 7.712 39.292 16.613 1.00 11.86 H new ATOM 0 HG11 VAL B 988 9.378 40.431 17.836 1.00 12.15 H new ATOM 0 HG12 VAL B 988 9.067 41.209 16.492 1.00 12.15 H new ATOM 0 HG13 VAL B 988 8.466 41.725 17.863 1.00 12.15 H new ATOM 0 HG21 VAL B 988 7.627 39.149 18.957 1.00 11.84 H new ATOM 0 HG22 VAL B 988 6.696 40.430 18.996 1.00 11.84 H new ATOM 0 HG23 VAL B 988 6.163 39.083 18.356 1.00 11.84 H new ATOM 1269 N VAL B 989 7.283 42.629 15.021 1.00 10.52 N ATOM 1270 CA VAL B 989 7.912 43.233 13.883 1.00 10.28 C ATOM 1271 C VAL B 989 9.252 43.800 14.396 1.00 9.95 C ATOM 1272 O VAL B 989 9.242 44.618 15.332 1.00 10.34 O ATOM 1273 CB VAL B 989 7.066 44.342 13.275 1.00 11.17 C ATOM 1274 CG1 VAL B 989 7.809 45.064 12.149 1.00 10.87 C ATOM 1275 CG2 VAL B 989 5.711 43.798 12.817 1.00 12.67 C ATOM 0 H VAL B 989 7.120 43.176 15.664 1.00 10.52 H new ATOM 0 HA VAL B 989 8.034 42.578 13.178 1.00 10.28 H new ATOM 0 HB VAL B 989 6.897 45.005 13.963 1.00 11.17 H new ATOM 0 HG11 VAL B 989 7.244 45.763 11.784 1.00 10.87 H new ATOM 0 HG12 VAL B 989 8.624 45.457 12.499 1.00 10.87 H new ATOM 0 HG13 VAL B 989 8.031 44.430 11.449 1.00 10.87 H new ATOM 0 HG21 VAL B 989 5.186 44.518 12.433 1.00 12.67 H new ATOM 0 HG22 VAL B 989 5.848 43.107 12.150 1.00 12.67 H new ATOM 0 HG23 VAL B 989 5.238 43.424 13.577 1.00 12.67 H new ATOM 1276 N GLU B 990 10.352 43.408 13.767 1.00 9.81 N ATOM 1277 CA GLU B 990 11.701 43.728 14.207 1.00 10.17 C ATOM 1278 C GLU B 990 12.317 44.825 13.351 1.00 9.93 C ATOM 1279 O GLU B 990 11.938 45.075 12.186 1.00 10.40 O ATOM 1280 CB GLU B 990 12.579 42.486 14.152 1.00 11.24 C ATOM 1281 CG GLU B 990 12.074 41.403 15.056 1.00 12.81 C ATOM 1282 CD GLU B 990 12.929 40.171 14.957 1.00 14.15 C ATOM 1283 OE1 GLU B 990 12.906 39.451 13.943 1.00 15.70 O ATOM 1284 OE2 GLU B 990 13.668 40.005 15.899 1.00 15.66 O ATOM 0 H GLU B 990 10.333 42.934 13.050 1.00 9.81 H new ATOM 0 HA GLU B 990 11.646 44.048 15.121 1.00 10.17 H new ATOM 0 HB2 GLU B 990 12.614 42.156 13.241 1.00 11.24 H new ATOM 0 HB3 GLU B 990 13.486 42.720 14.404 1.00 11.24 H new ATOM 0 HG2 GLU B 990 12.065 41.721 15.972 1.00 12.81 H new ATOM 0 HG3 GLU B 990 11.158 41.184 14.823 1.00 12.81 H new ATOM 1285 N ASN B 991 13.335 45.455 13.930 1.00 9.32 N ATOM 1286 CA ASN B 991 14.248 46.332 13.224 1.00 10.20 C ATOM 1287 C ASN B 991 13.655 47.586 12.671 1.00 11.12 C ATOM 1288 O ASN B 991 14.287 48.227 11.819 1.00 12.50 O ATOM 1289 CB ASN B 991 14.963 45.617 12.087 1.00 10.68 C ATOM 1290 CG ASN B 991 15.848 44.485 12.593 1.00 10.68 C ATOM 1291 OD1 ASN B 991 16.436 44.553 13.669 1.00 12.78 O ATOM 1292 ND2 ASN B 991 15.975 43.448 11.785 1.00 11.01 N ATOM 0 H ASN B 991 13.515 45.379 14.768 1.00 9.32 H new ATOM 0 HA ASN B 991 14.867 46.593 13.924 1.00 10.20 H new ATOM 0 HB2 ASN B 991 14.308 45.262 11.466 1.00 10.68 H new ATOM 0 HB3 ASN B 991 15.504 46.254 11.594 1.00 10.68 H new ATOM 0 HD21 ASN B 991 16.483 42.790 12.006 1.00 11.01 H new ATOM 0 HD22 ASN B 991 15.550 43.430 11.038 1.00 11.01 H new ATOM 1293 N LEU B 992 12.507 48.011 13.162 1.00 10.86 N ATOM 1294 CA LEU B 992 12.047 49.381 12.744 1.00 11.65 C ATOM 1295 C LEU B 992 12.943 50.471 13.325 1.00 14.13 C ATOM 1296 O LEU B 992 13.343 50.400 14.470 1.00 16.60 O ATOM 1297 CB LEU B 992 10.630 49.637 13.215 1.00 12.76 C ATOM 1298 CG LEU B 992 9.554 48.765 12.574 1.00 13.00 C ATOM 1299 CD1 LEU B 992 8.271 48.859 13.375 1.00 13.47 C ATOM 1300 CD2 LEU B 992 9.290 49.137 11.140 1.00 13.61 C ATOM 0 H LEU B 992 11.993 47.580 13.700 1.00 10.86 H new ATOM 0 HA LEU B 992 12.089 49.408 11.775 1.00 11.65 H new ATOM 0 HB2 LEU B 992 10.598 49.509 14.176 1.00 12.76 H new ATOM 0 HB3 LEU B 992 10.413 50.567 13.046 1.00 12.76 H new ATOM 0 HG LEU B 992 9.883 47.852 12.579 1.00 13.00 H new ATOM 0 HD11 LEU B 992 7.591 48.303 12.963 1.00 13.47 H new ATOM 0 HD12 LEU B 992 8.432 48.554 14.282 1.00 13.47 H new ATOM 0 HD13 LEU B 992 7.968 49.780 13.393 1.00 13.47 H new ATOM 0 HD21 LEU B 992 8.602 48.558 10.777 1.00 13.61 H new ATOM 0 HD22 LEU B 992 8.993 50.059 11.094 1.00 13.61 H new ATOM 0 HD23 LEU B 992 10.105 49.034 10.624 1.00 13.61 H new ATOM 1301 N SER B 993 13.277 51.461 12.494 1.00 15.46 N ATOM 1302 CA SER B 993 14.036 52.659 12.907 1.00 18.31 C ATOM 1303 C SER B 993 13.082 53.861 13.073 1.00 15.96 C ATOM 1304 O SER B 993 11.994 53.880 12.537 1.00 13.69 O ATOM 1305 CB SER B 993 15.060 52.976 11.790 1.00 19.80 C ATOM 1306 OG SER B 993 16.042 51.973 11.676 1.00 22.39 O ATOM 0 H SER B 993 13.068 51.460 11.660 1.00 15.46 H new ATOM 0 HA SER B 993 14.481 52.496 13.753 1.00 18.31 H new ATOM 0 HB2 SER B 993 14.596 53.071 10.944 1.00 19.80 H new ATOM 0 HB3 SER B 993 15.487 53.827 11.976 1.00 19.80 H new ATOM 0 HG SER B 993 15.885 51.362 12.231 1.00 22.39 H new ATOM 1307 N ASER B 994 13.531 54.865 13.828 0.50 17.77 N ATOM 1308 N BSER B 994 13.501 54.855 13.852 0.50 17.46 N ATOM 1309 CA ASER B 994 12.781 56.098 14.019 0.50 19.90 C ATOM 1310 CA BSER B 994 12.635 55.983 14.093 0.50 19.36 C ATOM 1311 C ASER B 994 12.294 56.641 12.681 0.50 20.01 C ATOM 1312 C BSER B 994 12.281 56.612 12.744 0.50 19.75 C ATOM 1313 O ASER B 994 13.089 56.790 11.778 0.50 22.14 O ATOM 1314 O BSER B 994 13.147 56.764 11.900 0.50 21.48 O ATOM 1315 CB ASER B 994 13.687 57.118 14.696 0.50 21.84 C ATOM 1316 CB BSER B 994 13.300 56.984 15.010 0.50 20.84 C ATOM 1317 OG ASER B 994 13.887 56.736 16.036 0.50 23.06 O ATOM 1318 OG BSER B 994 12.542 58.158 15.001 0.50 21.48 O ATOM 0 H ASER B 994 14.283 54.846 14.244 0.50 17.46 H new ATOM 0 H BSER B 994 14.268 54.889 14.239 0.50 17.46 H new ATOM 0 HA ASER B 994 12.005 55.922 14.574 0.50 19.36 H new ATOM 0 HA BSER B 994 11.823 55.691 14.537 0.50 19.36 H new ATOM 0 HB2ASER B 994 14.537 57.171 14.232 0.50 20.84 H new ATOM 0 HB2BSER B 994 13.362 56.628 15.910 0.50 20.84 H new ATOM 0 HB3ASER B 994 13.287 58.001 14.655 0.50 20.84 H new ATOM 0 HB3BSER B 994 14.206 57.164 14.713 0.50 20.84 H new ATOM 0 HG ASER B 994 13.164 56.805 16.458 0.50 21.48 H new ATOM 0 HG BSER B 994 12.002 58.148 15.645 0.50 21.48 H new ATOM 1319 N GLY B 995 10.992 56.873 12.548 1.00 22.78 N ATOM 1320 CA GLY B 995 10.442 57.418 11.285 1.00 22.42 C ATOM 1321 C GLY B 995 9.956 56.362 10.305 1.00 23.43 C ATOM 1322 O GLY B 995 9.154 56.675 9.427 1.00 24.45 O ATOM 0 H AGLY B 995 10.408 56.727 13.162 0.50 22.78 H new ATOM 0 H BGLY B 995 10.393 56.739 13.151 0.50 22.78 H new ATOM 0 HA2 GLY B 995 9.705 58.012 11.496 1.00 22.42 H new ATOM 0 HA3 GLY B 995 11.124 57.955 10.853 1.00 22.42 H new ATOM 1323 N ASP B 996 10.431 55.106 10.436 1.00 18.99 N ATOM 1324 CA ASP B 996 9.802 54.018 9.651 1.00 16.13 C ATOM 1325 C ASP B 996 8.334 53.961 9.916 1.00 16.15 C ATOM 1326 O ASP B 996 7.869 54.166 11.081 1.00 19.19 O ATOM 1327 CB ASP B 996 10.404 52.673 10.020 1.00 15.59 C ATOM 1328 CG ASP B 996 11.783 52.476 9.448 1.00 16.02 C ATOM 1329 OD1 ASP B 996 12.237 53.269 8.583 1.00 16.96 O ATOM 1330 OD2 ASP B 996 12.443 51.550 9.875 1.00 17.71 O ATOM 0 H ASP B 996 11.082 54.870 10.946 1.00 18.99 H new ATOM 0 HA ASP B 996 9.963 54.205 8.713 1.00 16.13 H new ATOM 0 HB2 ASP B 996 10.445 52.595 10.986 1.00 15.59 H new ATOM 0 HB3 ASP B 996 9.822 51.965 9.703 1.00 15.59 H new ATOM 1331 N VAL B 997 7.568 53.625 8.901 1.00 14.80 N ATOM 1332 CA VAL B 997 6.120 53.593 8.974 1.00 14.52 C ATOM 1333 C VAL B 997 5.652 52.160 8.761 1.00 14.34 C ATOM 1334 O VAL B 997 5.979 51.538 7.742 1.00 14.60 O ATOM 1335 CB VAL B 997 5.442 54.506 7.913 1.00 18.62 C ATOM 1336 CG1 VAL B 997 3.950 54.385 7.883 1.00 20.78 C ATOM 1337 CG2 VAL B 997 5.855 55.938 8.209 1.00 19.74 C ATOM 0 H VAL B 997 7.879 53.403 8.131 1.00 14.80 H new ATOM 0 HA VAL B 997 5.864 53.926 9.848 1.00 14.52 H new ATOM 0 HB VAL B 997 5.738 54.224 7.033 1.00 18.62 H new ATOM 0 HG11 VAL B 997 3.591 54.977 7.204 1.00 20.78 H new ATOM 0 HG12 VAL B 997 3.703 53.470 7.677 1.00 20.78 H new ATOM 0 HG13 VAL B 997 3.588 54.630 8.749 1.00 20.78 H new ATOM 0 HG21 VAL B 997 5.446 56.533 7.561 1.00 19.74 H new ATOM 0 HG22 VAL B 997 5.562 56.182 9.101 1.00 19.74 H new ATOM 0 HG23 VAL B 997 6.820 56.015 8.154 1.00 19.74 H new ATOM 1338 N LEU B 998 4.879 51.673 9.711 1.00 12.01 N ATOM 1339 CA LEU B 998 4.292 50.322 9.669 1.00 10.77 C ATOM 1340 C LEU B 998 2.815 50.453 9.497 1.00 11.59 C ATOM 1341 O LEU B 998 2.098 51.061 10.334 1.00 11.58 O ATOM 1342 CB LEU B 998 4.645 49.574 10.986 1.00 10.28 C ATOM 1343 CG LEU B 998 3.825 48.319 11.292 1.00 11.12 C ATOM 1344 CD1 LEU B 998 4.262 47.245 10.240 1.00 11.59 C ATOM 1345 CD2 LEU B 998 4.093 47.860 12.738 1.00 12.22 C ATOM 0 H LEU B 998 4.669 52.117 10.417 1.00 12.01 H new ATOM 0 HA LEU B 998 4.648 49.810 8.926 1.00 10.77 H new ATOM 0 HB2 LEU B 998 5.582 49.325 10.953 1.00 10.28 H new ATOM 0 HB3 LEU B 998 4.542 50.193 11.725 1.00 10.28 H new ATOM 0 HG LEU B 998 2.870 48.477 11.228 1.00 11.12 H new ATOM 0 HD11 LEU B 998 3.768 46.424 10.391 1.00 11.59 H new ATOM 0 HD12 LEU B 998 4.077 47.573 9.346 1.00 11.59 H new ATOM 0 HD13 LEU B 998 5.212 47.071 10.330 1.00 11.59 H new ATOM 0 HD21 LEU B 998 3.571 47.065 12.927 1.00 12.22 H new ATOM 0 HD22 LEU B 998 5.036 47.660 12.845 1.00 12.22 H new ATOM 0 HD23 LEU B 998 3.841 48.566 13.354 1.00 12.22 H new ATOM 1346 N GLU B 999 2.302 49.952 8.380 1.00 10.52 N ATOM 1347 CA GLU B 999 0.879 49.923 8.142 1.00 10.59 C ATOM 1348 C GLU B 999 0.425 48.519 8.425 1.00 10.00 C ATOM 1349 O GLU B 999 1.042 47.573 7.931 1.00 9.16 O ATOM 1350 CB GLU B 999 0.508 50.382 6.738 1.00 11.77 C ATOM 1351 CG GLU B 999 0.881 51.827 6.550 1.00 14.31 C ATOM 1352 CD GLU B 999 0.752 52.241 5.103 1.00 15.64 C ATOM 1353 OE1 GLU B 999 1.594 51.888 4.258 1.00 16.66 O ATOM 1354 OE2 GLU B 999 -0.237 52.922 4.818 1.00 17.67 O ATOM 0 H GLU B 999 2.775 49.621 7.742 1.00 10.52 H new ATOM 0 HA GLU B 999 0.427 50.552 8.726 1.00 10.59 H new ATOM 0 HB2 GLU B 999 0.965 49.835 6.080 1.00 11.77 H new ATOM 0 HB3 GLU B 999 -0.444 50.265 6.593 1.00 11.77 H new ATOM 0 HG2 GLU B 999 0.310 52.385 7.101 1.00 14.31 H new ATOM 0 HG3 GLU B 999 1.792 51.970 6.850 1.00 14.31 H new ATOM 1355 N TYR B1000 -0.719 48.370 9.105 1.00 9.38 N ATOM 1356 CA TYR B1000 -1.181 47.052 9.453 1.00 8.62 C ATOM 1357 C TYR B1000 -2.687 46.958 9.450 1.00 8.06 C ATOM 1358 O TYR B1000 -3.374 47.946 9.755 1.00 8.92 O ATOM 1359 CB TYR B1000 -0.583 46.617 10.795 1.00 9.49 C ATOM 1360 CG TYR B1000 -0.967 47.497 11.998 1.00 9.34 C ATOM 1361 CD1 TYR B1000 -0.326 48.685 12.225 1.00 10.49 C ATOM 1362 CD2 TYR B1000 -1.979 47.089 12.867 1.00 9.87 C ATOM 1363 CE1 TYR B1000 -0.649 49.476 13.298 1.00 10.39 C ATOM 1364 CE2 TYR B1000 -2.290 47.858 13.975 1.00 10.20 C ATOM 1365 CZ TYR B1000 -1.619 49.059 14.150 1.00 10.11 C ATOM 1366 OH TYR B1000 -1.927 49.897 15.237 1.00 12.00 O ATOM 0 H TYR B1000 -1.224 49.016 9.364 1.00 9.38 H new ATOM 0 HA TYR B1000 -0.871 46.437 8.770 1.00 8.62 H new ATOM 0 HB2 TYR B1000 -0.861 45.706 10.977 1.00 9.49 H new ATOM 0 HB3 TYR B1000 0.384 46.608 10.715 1.00 9.49 H new ATOM 0 HD1 TYR B1000 0.342 48.961 11.640 1.00 10.49 H new ATOM 0 HD2 TYR B1000 -2.444 46.301 12.702 1.00 9.87 H new ATOM 0 HE1 TYR B1000 -0.211 50.284 13.439 1.00 10.39 H new ATOM 0 HE2 TYR B1000 -2.932 47.577 14.586 1.00 10.20 H new ATOM 0 HH TYR B1000 -2.710 49.741 15.498 1.00 12.00 H new ATOM 1367 N SER B1001 -3.198 45.783 9.077 1.00 7.56 N ATOM 1368 CA SER B1001 -4.586 45.481 9.125 1.00 7.34 C ATOM 1369 C SER B1001 -4.774 44.013 9.463 1.00 7.81 C ATOM 1370 O SER B1001 -3.793 43.287 9.543 1.00 7.77 O ATOM 1371 CB SER B1001 -5.298 45.848 7.795 1.00 7.63 C ATOM 1372 OG SER B1001 -4.673 45.112 6.705 1.00 7.55 O ATOM 0 H SER B1001 -2.715 45.134 8.784 1.00 7.56 H new ATOM 0 HA SER B1001 -4.996 46.020 9.820 1.00 7.34 H new ATOM 0 HB2 SER B1001 -6.242 45.630 7.849 1.00 7.63 H new ATOM 0 HB3 SER B1001 -5.236 46.803 7.634 1.00 7.63 H new ATOM 0 HG SER B1001 -4.017 45.547 6.413 1.00 7.55 H new ATOM 1373 N PHE B1002 -6.005 43.593 9.703 1.00 7.88 N ATOM 1374 CA PHE B1002 -6.254 42.233 10.203 1.00 7.94 C ATOM 1375 C PHE B1002 -7.372 41.550 9.472 1.00 8.34 C ATOM 1376 O PHE B1002 -8.399 42.209 9.161 1.00 9.33 O ATOM 1377 CB PHE B1002 -6.652 42.249 11.678 1.00 7.96 C ATOM 1378 CG PHE B1002 -5.692 42.982 12.544 1.00 7.71 C ATOM 1379 CD1 PHE B1002 -5.846 44.294 12.826 1.00 7.93 C ATOM 1380 CD2 PHE B1002 -4.582 42.357 13.111 1.00 7.39 C ATOM 1381 CE1 PHE B1002 -4.898 44.971 13.576 1.00 8.42 C ATOM 1382 CE2 PHE B1002 -3.684 43.015 13.915 1.00 7.40 C ATOM 1383 CZ PHE B1002 -3.829 44.352 14.174 1.00 8.55 C ATOM 0 H PHE B1002 -6.712 44.069 9.587 1.00 7.88 H new ATOM 0 HA PHE B1002 -5.421 41.755 10.066 1.00 7.94 H new ATOM 0 HB2 PHE B1002 -7.529 42.654 11.764 1.00 7.96 H new ATOM 0 HB3 PHE B1002 -6.729 41.335 11.995 1.00 7.96 H new ATOM 0 HD1 PHE B1002 -6.596 44.747 12.514 1.00 7.93 H new ATOM 0 HD2 PHE B1002 -4.444 41.454 12.937 1.00 7.39 H new ATOM 0 HE1 PHE B1002 -4.991 45.891 13.679 1.00 8.42 H new ATOM 0 HE2 PHE B1002 -2.971 42.548 14.287 1.00 7.40 H new ATOM 0 HZ PHE B1002 -3.237 44.814 14.723 1.00 8.55 H new ATOM 1384 N THR B1003 -7.270 40.237 9.310 1.00 7.62 N ATOM 1385 CA THR B1003 -8.416 39.411 8.901 1.00 8.02 C ATOM 1386 C THR B1003 -8.714 38.495 10.076 1.00 8.87 C ATOM 1387 O THR B1003 -7.813 37.814 10.561 1.00 9.93 O ATOM 1388 CB THR B1003 -8.179 38.548 7.663 1.00 9.06 C ATOM 1389 OG1 THR B1003 -8.054 39.451 6.514 1.00 8.10 O ATOM 1390 CG2 THR B1003 -9.317 37.602 7.406 1.00 9.30 C ATOM 0 H THR B1003 -6.542 39.796 9.432 1.00 7.62 H new ATOM 0 HA THR B1003 -9.143 40.008 8.664 1.00 8.02 H new ATOM 0 HB THR B1003 -7.380 38.016 7.802 1.00 9.06 H new ATOM 0 HG1 THR B1003 -7.244 39.529 6.305 1.00 8.10 H new ATOM 0 HG21 THR B1003 -9.127 37.075 6.614 1.00 9.30 H new ATOM 0 HG22 THR B1003 -9.426 37.012 8.168 1.00 9.30 H new ATOM 0 HG23 THR B1003 -10.134 38.107 7.269 1.00 9.30 H new ATOM 1391 N TYR B1004 -9.907 38.619 10.638 1.00 9.30 N ATOM 1392 CA TYR B1004 -10.290 37.853 11.832 1.00 9.03 C ATOM 1393 C TYR B1004 -11.565 37.056 11.605 1.00 9.79 C ATOM 1394 O TYR B1004 -12.513 37.519 10.960 1.00 9.04 O ATOM 1395 CB TYR B1004 -10.458 38.818 13.023 1.00 8.80 C ATOM 1396 CG TYR B1004 -11.528 39.856 12.928 1.00 9.12 C ATOM 1397 CD1 TYR B1004 -11.327 41.034 12.270 1.00 9.73 C ATOM 1398 CD2 TYR B1004 -12.751 39.651 13.569 1.00 9.51 C ATOM 1399 CE1 TYR B1004 -12.282 42.034 12.230 1.00 10.00 C ATOM 1400 CE2 TYR B1004 -13.727 40.604 13.502 1.00 10.17 C ATOM 1401 CZ TYR B1004 -13.522 41.780 12.836 1.00 10.78 C ATOM 1402 OH TYR B1004 -14.444 42.818 12.747 1.00 12.40 O ATOM 0 H TYR B1004 -10.521 39.146 10.345 1.00 9.30 H new ATOM 0 HA TYR B1004 -9.586 37.214 12.026 1.00 9.03 H new ATOM 0 HB2 TYR B1004 -10.627 38.286 13.817 1.00 8.80 H new ATOM 0 HB3 TYR B1004 -9.612 39.273 13.161 1.00 8.80 H new ATOM 0 HD1 TYR B1004 -10.518 41.170 11.832 1.00 9.73 H new ATOM 0 HD2 TYR B1004 -12.901 38.865 14.042 1.00 9.51 H new ATOM 0 HE1 TYR B1004 -12.108 42.848 11.815 1.00 10.00 H new ATOM 0 HE2 TYR B1004 -14.545 40.450 13.917 1.00 10.17 H new ATOM 0 HH TYR B1004 -15.179 42.568 13.068 1.00 12.40 H new ATOM 1403 N GLU B1005 -11.584 35.856 12.175 1.00 9.29 N ATOM 1404 CA GLU B1005 -12.721 35.014 12.168 1.00 10.06 C ATOM 1405 C GLU B1005 -13.670 35.389 13.329 1.00 9.68 C ATOM 1406 O GLU B1005 -13.237 35.748 14.418 1.00 9.89 O ATOM 1407 CB GLU B1005 -12.326 33.540 12.279 1.00 11.72 C ATOM 1408 CG GLU B1005 -13.451 32.567 12.059 1.00 12.01 C ATOM 1409 CD GLU B1005 -14.228 32.162 13.358 1.00 12.22 C ATOM 1410 OE1 GLU B1005 -13.766 32.521 14.480 1.00 10.73 O ATOM 1411 OE2 GLU B1005 -15.197 31.386 13.202 1.00 13.29 O ATOM 0 H GLU B1005 -10.906 35.518 12.583 1.00 9.29 H new ATOM 0 HA GLU B1005 -13.178 35.142 11.322 1.00 10.06 H new ATOM 0 HB2 GLU B1005 -11.626 33.356 11.633 1.00 11.72 H new ATOM 0 HB3 GLU B1005 -11.948 33.385 13.159 1.00 11.72 H new ATOM 0 HG2 GLU B1005 -14.079 32.954 11.429 1.00 12.01 H new ATOM 0 HG3 GLU B1005 -13.093 31.765 11.647 1.00 12.01 H new ATOM 1412 N LYS B1006 -14.951 35.384 13.022 1.00 10.04 N ATOM 1413 CA LYS B1006 -15.950 35.645 14.128 1.00 11.24 C ATOM 1414 C LYS B1006 -17.229 34.873 13.791 1.00 10.52 C ATOM 1415 O LYS B1006 -17.990 35.244 12.894 1.00 10.89 O ATOM 1416 CB LYS B1006 -16.239 37.105 14.251 1.00 10.87 C ATOM 1417 CG LYS B1006 -17.298 37.370 15.341 1.00 12.01 C ATOM 1418 CD LYS B1006 -17.631 38.826 15.543 1.00 13.23 C ATOM 1419 CE LYS B1006 -18.733 38.918 16.554 1.00 15.20 C ATOM 1420 NZ LYS B1006 -19.036 40.321 16.851 1.00 17.98 N ATOM 0 H LYS B1006 -15.280 35.244 12.240 1.00 10.04 H new ATOM 0 HA LYS B1006 -15.589 35.350 14.979 1.00 11.24 H new ATOM 0 HB2 LYS B1006 -15.423 37.583 14.466 1.00 10.87 H new ATOM 0 HB3 LYS B1006 -16.553 37.449 13.400 1.00 10.87 H new ATOM 0 HG2 LYS B1006 -18.110 36.892 15.111 1.00 12.01 H new ATOM 0 HG3 LYS B1006 -16.981 37.002 16.181 1.00 12.01 H new ATOM 0 HD2 LYS B1006 -16.850 39.312 15.849 1.00 13.23 H new ATOM 0 HD3 LYS B1006 -17.906 39.230 14.705 1.00 13.23 H new ATOM 0 HE2 LYS B1006 -19.527 38.474 16.218 1.00 15.20 H new ATOM 0 HE3 LYS B1006 -18.473 38.458 17.367 1.00 15.20 H new ATOM 0 HZ1 LYS B1006 -19.328 40.391 17.689 1.00 17.98 H new ATOM 0 HZ2 LYS B1006 -18.300 40.811 16.752 1.00 17.98 H new ATOM 0 HZ3 LYS B1006 -19.664 40.614 16.293 1.00 17.98 H new ATOM 1421 N LEU B1007 -17.465 33.811 14.552 1.00 11.84 N ATOM 1422 CA LEU B1007 -18.714 33.041 14.447 1.00 13.40 C ATOM 1423 C LEU B1007 -18.986 32.417 13.103 1.00 13.49 C ATOM 1424 O LEU B1007 -20.132 32.253 12.668 1.00 14.60 O ATOM 1425 CB LEU B1007 -19.878 33.865 15.008 1.00 14.71 C ATOM 1426 CG LEU B1007 -19.712 34.433 16.446 1.00 16.69 C ATOM 1427 CD1 LEU B1007 -20.840 35.414 16.781 1.00 18.51 C ATOM 1428 CD2 LEU B1007 -19.570 33.359 17.503 1.00 16.77 C ATOM 0 H LEU B1007 -16.914 33.513 15.141 1.00 11.84 H new ATOM 0 HA LEU B1007 -18.603 32.253 15.001 1.00 13.40 H new ATOM 0 HB2 LEU B1007 -20.038 34.609 14.407 1.00 14.71 H new ATOM 0 HB3 LEU B1007 -20.674 33.311 14.993 1.00 14.71 H new ATOM 0 HG LEU B1007 -18.873 34.920 16.455 1.00 16.69 H new ATOM 0 HD11 LEU B1007 -20.716 35.755 17.681 1.00 18.51 H new ATOM 0 HD12 LEU B1007 -20.825 36.152 16.151 1.00 18.51 H new ATOM 0 HD13 LEU B1007 -21.694 34.957 16.723 1.00 18.51 H new ATOM 0 HD21 LEU B1007 -19.470 33.773 18.374 1.00 16.77 H new ATOM 0 HD22 LEU B1007 -20.360 32.797 17.501 1.00 16.77 H new ATOM 0 HD23 LEU B1007 -18.788 32.818 17.312 1.00 16.77 H new ATOM 1429 N GLY B1008 -17.898 32.028 12.429 1.00 14.12 N ATOM 1430 CA GLY B1008 -17.966 31.313 11.136 1.00 12.72 C ATOM 1431 C GLY B1008 -17.156 32.033 10.059 1.00 12.76 C ATOM 1432 O GLY B1008 -16.094 31.541 9.639 1.00 13.87 O ATOM 0 H GLY B1008 -17.096 32.169 12.705 1.00 14.12 H new ATOM 0 HA2 GLY B1008 -17.631 30.410 11.246 1.00 12.72 H new ATOM 0 HA3 GLY B1008 -18.891 31.240 10.853 1.00 12.72 H new ATOM 1433 N PRO B1009 -17.668 33.195 9.591 1.00 12.24 N ATOM 1434 CA PRO B1009 -16.967 33.888 8.525 1.00 12.67 C ATOM 1435 C PRO B1009 -15.842 34.727 9.039 1.00 12.29 C ATOM 1436 O PRO B1009 -15.611 34.809 10.248 1.00 11.02 O ATOM 1437 CB PRO B1009 -18.021 34.816 7.956 1.00 13.03 C ATOM 1438 CG PRO B1009 -19.176 34.773 8.839 1.00 15.03 C ATOM 1439 CD PRO B1009 -18.935 33.867 9.973 1.00 13.38 C ATOM 0 HA PRO B1009 -16.584 33.261 7.892 1.00 12.67 H new ATOM 0 HB2 PRO B1009 -17.677 35.721 7.890 1.00 13.03 H new ATOM 0 HB3 PRO B1009 -18.268 34.540 7.059 1.00 13.03 H new ATOM 0 HG2 PRO B1009 -19.370 35.665 9.168 1.00 15.03 H new ATOM 0 HG3 PRO B1009 -19.956 34.477 8.344 1.00 15.03 H new ATOM 0 HD2 PRO B1009 -18.848 34.351 10.809 1.00 13.38 H new ATOM 0 HD3 PRO B1009 -19.659 33.232 10.087 1.00 13.38 H new ATOM 1440 N GLN B1010 -15.178 35.435 8.125 1.00 11.34 N ATOM 1441 CA GLN B1010 -14.066 36.272 8.441 1.00 10.07 C ATOM 1442 C GLN B1010 -14.311 37.692 7.924 1.00 9.26 C ATOM 1443 O GLN B1010 -15.065 37.884 6.992 1.00 9.35 O ATOM 1444 CB GLN B1010 -12.760 35.693 7.830 1.00 9.63 C ATOM 1445 CG GLN B1010 -12.717 35.822 6.300 1.00 10.49 C ATOM 1446 CD GLN B1010 -11.615 35.015 5.632 1.00 10.51 C ATOM 1447 OE1 GLN B1010 -11.010 34.109 6.171 1.00 10.94 O ATOM 1448 NE2 GLN B1010 -11.337 35.415 4.390 1.00 10.78 N ATOM 0 H GLN B1010 -15.380 35.430 7.289 1.00 11.34 H new ATOM 0 HA GLN B1010 -13.966 36.304 9.405 1.00 10.07 H new ATOM 0 HB2 GLN B1010 -11.996 36.153 8.212 1.00 9.63 H new ATOM 0 HB3 GLN B1010 -12.679 34.758 8.075 1.00 9.63 H new ATOM 0 HG2 GLN B1010 -13.572 35.542 5.939 1.00 10.49 H new ATOM 0 HG3 GLN B1010 -12.604 36.757 6.068 1.00 10.49 H new ATOM 0 HE21 GLN B1010 -11.783 36.059 4.036 1.00 10.78 H new ATOM 0 HE22 GLN B1010 -10.712 35.029 3.944 1.00 10.78 H new ATOM 1449 N TYR B1011 -13.675 38.655 8.549 1.00 9.23 N ATOM 1450 CA TYR B1011 -13.793 40.097 8.269 1.00 9.24 C ATOM 1451 C TYR B1011 -12.428 40.733 8.281 1.00 9.34 C ATOM 1452 O TYR B1011 -11.496 40.235 8.928 1.00 9.09 O ATOM 1453 CB TYR B1011 -14.617 40.804 9.366 1.00 9.99 C ATOM 1454 CG TYR B1011 -15.971 40.124 9.481 1.00 11.19 C ATOM 1455 CD1 TYR B1011 -17.006 40.428 8.640 1.00 11.42 C ATOM 1456 CD2 TYR B1011 -16.176 39.121 10.397 1.00 11.69 C ATOM 1457 CE1 TYR B1011 -18.256 39.806 8.767 1.00 11.95 C ATOM 1458 CE2 TYR B1011 -17.398 38.475 10.512 1.00 12.14 C ATOM 1459 CZ TYR B1011 -18.443 38.827 9.652 1.00 12.01 C ATOM 1460 OH TYR B1011 -19.638 38.132 9.822 1.00 14.12 O ATOM 0 H TYR B1011 -13.125 38.491 9.190 1.00 9.23 H new ATOM 0 HA TYR B1011 -14.223 40.190 7.405 1.00 9.24 H new ATOM 0 HB2 TYR B1011 -14.149 40.765 10.215 1.00 9.99 H new ATOM 0 HB3 TYR B1011 -14.730 41.742 9.148 1.00 9.99 H new ATOM 0 HD1 TYR B1011 -16.878 41.060 7.970 1.00 11.42 H new ATOM 0 HD2 TYR B1011 -15.476 38.868 10.955 1.00 11.69 H new ATOM 0 HE1 TYR B1011 -18.963 40.080 8.228 1.00 11.95 H new ATOM 0 HE2 TYR B1011 -17.521 37.814 11.155 1.00 12.14 H new ATOM 0 HH TYR B1011 -19.553 37.576 10.446 1.00 14.12 H new ATOM 1461 N THR B1012 -12.240 41.789 7.499 1.00 8.89 N ATOM 1462 CA THR B1012 -10.963 42.456 7.393 1.00 9.05 C ATOM 1463 C THR B1012 -11.094 43.932 7.731 1.00 9.53 C ATOM 1464 O THR B1012 -12.021 44.640 7.253 1.00 10.13 O ATOM 1465 CB THR B1012 -10.327 42.242 5.989 1.00 9.46 C ATOM 1466 OG1 THR B1012 -10.277 40.847 5.656 1.00 9.71 O ATOM 1467 CG2 THR B1012 -9.012 42.956 5.828 1.00 9.54 C ATOM 0 H THR B1012 -12.859 42.137 7.013 1.00 8.89 H new ATOM 0 HA THR B1012 -10.362 42.058 8.042 1.00 9.05 H new ATOM 0 HB THR B1012 -10.908 42.660 5.335 1.00 9.46 H new ATOM 0 HG1 THR B1012 -9.568 40.512 5.957 1.00 9.71 H new ATOM 0 HG21 THR B1012 -8.660 42.790 4.939 1.00 9.54 H new ATOM 0 HG22 THR B1012 -9.144 43.909 5.951 1.00 9.54 H new ATOM 0 HG23 THR B1012 -8.383 42.629 6.490 1.00 9.54 H new ATOM 1468 N THR B1013 -10.198 44.406 8.579 1.00 9.03 N ATOM 1469 CA THR B1013 -10.168 45.765 9.087 1.00 9.55 C ATOM 1470 C THR B1013 -9.605 46.748 8.074 1.00 10.02 C ATOM 1471 O THR B1013 -8.882 46.361 7.141 1.00 11.16 O ATOM 1472 CB THR B1013 -9.302 45.892 10.374 1.00 9.71 C ATOM 1473 OG1 THR B1013 -7.897 45.795 10.118 1.00 9.04 O ATOM 1474 CG2 THR B1013 -9.708 44.860 11.417 1.00 10.11 C ATOM 0 H THR B1013 -9.560 43.921 8.889 1.00 9.03 H new ATOM 0 HA THR B1013 -11.094 45.978 9.281 1.00 9.55 H new ATOM 0 HB THR B1013 -9.473 46.782 10.719 1.00 9.71 H new ATOM 0 HG1 THR B1013 -7.612 46.532 9.833 1.00 9.04 H new ATOM 0 HG21 THR B1013 -9.153 44.962 12.206 1.00 10.11 H new ATOM 0 HG22 THR B1013 -10.639 44.991 11.657 1.00 10.11 H new ATOM 0 HG23 THR B1013 -9.591 43.969 11.053 1.00 10.11 H new ATOM 1475 N GLU B1014 -9.848 48.046 8.319 1.00 10.58 N ATOM 1476 CA GLU B1014 -9.108 49.083 7.738 1.00 11.93 C ATOM 1477 C GLU B1014 -7.605 48.993 8.064 1.00 11.17 C ATOM 1478 O GLU B1014 -7.173 48.298 9.001 1.00 11.68 O ATOM 1479 CB GLU B1014 -9.629 50.426 8.350 1.00 12.32 C ATOM 1480 CG GLU B1014 -9.256 50.645 9.807 1.00 14.44 C ATOM 1481 CD GLU B1014 -10.063 51.735 10.545 1.00 15.64 C ATOM 1482 OE1 GLU B1014 -9.480 52.791 10.795 1.00 19.84 O ATOM 1483 OE2 GLU B1014 -11.179 51.446 10.900 1.00 22.49 O ATOM 0 H GLU B1014 -10.471 48.318 8.846 1.00 10.58 H new ATOM 0 HA GLU B1014 -9.216 49.027 6.776 1.00 11.93 H new ATOM 0 HB2 GLU B1014 -9.281 51.163 7.825 1.00 12.32 H new ATOM 0 HB3 GLU B1014 -10.595 50.451 8.269 1.00 12.32 H new ATOM 0 HG2 GLU B1014 -9.366 49.806 10.282 1.00 14.44 H new ATOM 0 HG3 GLU B1014 -8.315 50.875 9.852 1.00 14.44 H new ATOM 1484 N TRP B1015 -6.812 49.725 7.314 1.00 11.42 N ATOM 1485 CA TRP B1015 -5.457 49.923 7.634 1.00 11.21 C ATOM 1486 C TRP B1015 -5.217 50.891 8.754 1.00 12.80 C ATOM 1487 O TRP B1015 -5.790 52.017 8.766 1.00 13.94 O ATOM 1488 CB TRP B1015 -4.689 50.447 6.411 1.00 11.51 C ATOM 1489 CG TRP B1015 -4.578 49.411 5.286 1.00 12.12 C ATOM 1490 CD1 TRP B1015 -5.263 49.369 4.150 1.00 15.03 C ATOM 1491 CD2 TRP B1015 -3.659 48.304 5.254 1.00 11.53 C ATOM 1492 NE1 TRP B1015 -4.842 48.269 3.358 1.00 14.75 N ATOM 1493 CE2 TRP B1015 -3.878 47.602 4.059 1.00 12.59 C ATOM 1494 CE3 TRP B1015 -2.680 47.853 6.127 1.00 11.31 C ATOM 1495 CZ2 TRP B1015 -3.110 46.487 3.695 1.00 11.52 C ATOM 1496 CZ3 TRP B1015 -1.895 46.750 5.754 1.00 10.35 C ATOM 1497 CH2 TRP B1015 -2.149 46.077 4.564 1.00 11.06 C ATOM 0 H TRP B1015 -7.066 50.121 6.594 1.00 11.42 H new ATOM 0 HA TRP B1015 -5.144 49.050 7.920 1.00 11.21 H new ATOM 0 HB2 TRP B1015 -5.133 51.240 6.072 1.00 11.51 H new ATOM 0 HB3 TRP B1015 -3.798 50.716 6.685 1.00 11.51 H new ATOM 0 HD1 TRP B1015 -5.925 49.975 3.907 1.00 15.03 H new ATOM 0 HE1 TRP B1015 -5.140 48.060 2.579 1.00 14.75 H new ATOM 0 HE3 TRP B1015 -2.546 48.274 6.945 1.00 11.31 H new ATOM 0 HZ2 TRP B1015 -3.253 46.045 2.889 1.00 11.52 H new ATOM 0 HZ3 TRP B1015 -1.202 46.468 6.306 1.00 10.35 H new ATOM 0 HH2 TRP B1015 -1.646 45.323 4.356 1.00 11.06 H new ATOM 1498 N PHE B1016 -4.337 50.498 9.655 1.00 10.88 N ATOM 1499 CA PHE B1016 -3.848 51.346 10.719 1.00 10.59 C ATOM 1500 C PHE B1016 -2.420 51.720 10.461 1.00 12.28 C ATOM 1501 O PHE B1016 -1.702 51.008 9.699 1.00 11.69 O ATOM 1502 CB PHE B1016 -3.955 50.624 12.068 1.00 11.27 C ATOM 1503 CG PHE B1016 -5.331 50.168 12.407 1.00 10.68 C ATOM 1504 CD1 PHE B1016 -6.283 51.112 12.884 1.00 11.98 C ATOM 1505 CD2 PHE B1016 -5.728 48.839 12.267 1.00 10.69 C ATOM 1506 CE1 PHE B1016 -7.579 50.710 13.109 1.00 11.45 C ATOM 1507 CE2 PHE B1016 -7.018 48.427 12.561 1.00 12.27 C ATOM 1508 CZ PHE B1016 -7.958 49.365 12.974 1.00 11.93 C ATOM 0 H PHE B1016 -3.998 49.708 9.664 1.00 10.88 H new ATOM 0 HA PHE B1016 -4.390 52.150 10.747 1.00 10.59 H new ATOM 0 HB2 PHE B1016 -3.363 49.856 12.060 1.00 11.27 H new ATOM 0 HB3 PHE B1016 -3.640 51.218 12.767 1.00 11.27 H new ATOM 0 HD1 PHE B1016 -6.031 51.993 13.042 1.00 11.98 H new ATOM 0 HD2 PHE B1016 -5.110 48.212 11.968 1.00 10.69 H new ATOM 0 HE1 PHE B1016 -8.216 51.341 13.355 1.00 11.45 H new ATOM 0 HE2 PHE B1016 -7.253 47.531 12.483 1.00 12.27 H new ATOM 0 HZ PHE B1016 -8.831 49.103 13.159 1.00 11.93 H new ATOM 1509 N THR B1017 -1.948 52.775 11.105 1.00 12.24 N ATOM 1510 CA THR B1017 -0.612 53.281 10.879 1.00 13.14 C ATOM 1511 C THR B1017 0.092 53.466 12.188 1.00 12.98 C ATOM 1512 O THR B1017 -0.489 53.997 13.108 1.00 12.44 O ATOM 1513 CB THR B1017 -0.575 54.631 10.088 1.00 15.95 C ATOM 1514 OG1 THR B1017 -1.230 54.413 8.863 1.00 18.44 O ATOM 1515 CG2 THR B1017 0.851 55.043 9.794 1.00 16.57 C ATOM 0 H THR B1017 -2.398 53.218 11.688 1.00 12.24 H new ATOM 0 HA THR B1017 -0.164 52.617 10.332 1.00 13.14 H new ATOM 0 HB THR B1017 -0.999 55.328 10.612 1.00 15.95 H new ATOM 0 HG1 THR B1017 -1.191 53.598 8.665 1.00 18.44 H new ATOM 0 HG21 THR B1017 0.852 55.880 9.304 1.00 16.57 H new ATOM 0 HG22 THR B1017 1.334 55.156 10.628 1.00 16.57 H new ATOM 0 HG23 THR B1017 1.283 54.357 9.261 1.00 16.57 H new ATOM 1516 N TYR B1018 1.326 53.008 12.219 1.00 11.85 N ATOM 1517 CA TYR B1018 2.265 53.194 13.306 1.00 11.54 C ATOM 1518 C TYR B1018 3.594 53.773 12.809 1.00 12.62 C ATOM 1519 O TYR B1018 4.205 53.249 11.899 1.00 13.08 O ATOM 1520 CB TYR B1018 2.477 51.892 14.109 1.00 12.27 C ATOM 1521 CG TYR B1018 3.571 52.034 15.105 1.00 12.35 C ATOM 1522 CD1 TYR B1018 3.344 52.666 16.320 1.00 12.34 C ATOM 1523 CD2 TYR B1018 4.863 51.462 14.920 1.00 11.62 C ATOM 1524 CE1 TYR B1018 4.392 52.803 17.252 1.00 12.33 C ATOM 1525 CE2 TYR B1018 5.902 51.574 15.869 1.00 13.03 C ATOM 1526 CZ TYR B1018 5.640 52.281 17.051 1.00 12.96 C ATOM 1527 OH TYR B1018 6.691 52.393 17.959 1.00 13.98 O ATOM 0 H TYR B1018 1.659 52.554 11.569 1.00 11.85 H new ATOM 0 HA TYR B1018 1.876 53.843 13.913 1.00 11.54 H new ATOM 0 HB2 TYR B1018 1.654 51.654 14.564 1.00 12.27 H new ATOM 0 HB3 TYR B1018 2.685 51.166 13.500 1.00 12.27 H new ATOM 0 HD1 TYR B1018 2.499 52.999 16.519 1.00 12.34 H new ATOM 0 HD2 TYR B1018 5.030 50.992 14.135 1.00 11.62 H new ATOM 0 HE1 TYR B1018 4.228 53.270 18.040 1.00 12.33 H new ATOM 0 HE2 TYR B1018 6.735 51.190 15.715 1.00 13.03 H new ATOM 0 HH TYR B1018 7.123 51.673 17.978 1.00 13.98 H new ATOM 1528 N SER B1019 4.012 54.878 13.407 1.00 13.10 N ATOM 1529 CA SER B1019 5.298 55.467 13.111 1.00 14.01 C ATOM 1530 C SER B1019 6.233 55.165 14.222 1.00 13.65 C ATOM 1531 O SER B1019 5.957 55.559 15.378 1.00 12.69 O ATOM 1532 CB SER B1019 5.229 56.980 12.912 1.00 15.32 C ATOM 1533 OG SER B1019 4.456 57.304 11.785 1.00 17.88 O ATOM 0 H SER B1019 3.554 55.306 13.996 1.00 13.10 H new ATOM 0 HA SER B1019 5.607 55.082 12.276 1.00 14.01 H new ATOM 0 HB2 SER B1019 4.848 57.396 13.701 1.00 15.32 H new ATOM 0 HB3 SER B1019 6.125 57.337 12.808 1.00 15.32 H new ATOM 0 HG SER B1019 3.655 57.409 12.015 1.00 17.88 H new ATOM 1534 N ARG B1020 7.331 54.472 13.957 1.00 12.83 N ATOM 1535 CA ARG B1020 8.269 54.126 14.964 1.00 14.51 C ATOM 1536 C ARG B1020 8.958 55.371 15.551 1.00 17.20 C ATOM 1537 O ARG B1020 9.330 55.362 16.732 1.00 18.80 O ATOM 1538 CB ARG B1020 9.346 53.147 14.412 1.00 15.21 C ATOM 1539 CG ARG B1020 10.396 52.661 15.412 1.00 14.80 C ATOM 1540 CD ARG B1020 9.725 51.837 16.496 1.00 14.99 C ATOM 1541 NE ARG B1020 10.641 51.446 17.559 1.00 16.14 N ATOM 1542 CZ ARG B1020 10.936 52.200 18.621 1.00 18.59 C ATOM 1543 NH1 ARG B1020 10.466 53.446 18.741 1.00 19.10 N ATOM 1544 NH2 ARG B1020 11.756 51.692 19.532 1.00 20.02 N ATOM 1545 OXT ARG B1020 9.264 56.397 14.865 1.00 18.03 O ATOM 0 H ARG B1020 7.540 54.193 13.171 1.00 12.83 H new ATOM 0 HA ARG B1020 7.773 53.687 15.672 1.00 14.51 H new ATOM 0 HB2 ARG B1020 8.893 52.372 14.045 1.00 15.21 H new ATOM 0 HB3 ARG B1020 9.805 53.582 13.676 1.00 15.21 H new ATOM 0 HG2 ARG B1020 11.067 52.128 14.957 1.00 14.80 H new ATOM 0 HG3 ARG B1020 10.855 53.419 15.807 1.00 14.80 H new ATOM 0 HD2 ARG B1020 8.993 52.347 16.877 1.00 14.99 H new ATOM 0 HD3 ARG B1020 9.339 51.041 16.099 1.00 14.99 H new ATOM 0 HE ARG B1020 11.018 50.676 17.498 1.00 16.14 H new ATOM 0 HH11 ARG B1020 9.963 53.777 18.127 1.00 19.10 H new ATOM 0 HH12 ARG B1020 10.667 53.917 19.432 1.00 19.10 H new ATOM 0 HH21 ARG B1020 12.078 50.902 19.427 1.00 20.02 H new ATOM 0 HH22 ARG B1020 11.965 52.153 20.227 1.00 20.02 H new TER 1546 ARG B1020 HETATM 1547 C1 EDO A1101 7.406 32.407 -5.318 1.00 12.79 C HETATM 1548 O1 EDO A1101 6.670 33.422 -4.535 1.00 13.57 O HETATM 1549 C2 EDO A1101 7.343 32.853 -6.750 1.00 12.14 C HETATM 1550 O2 EDO A1101 6.043 32.670 -7.233 1.00 11.47 O HETATM 0 HO2 EDO A1101 5.545 32.411 -6.608 1.00 11.47 H new HETATM 0 HO1 EDO A1101 6.858 33.338 -3.721 1.00 13.57 H new HETATM 0 H22 EDO A1101 7.597 33.786 -6.821 1.00 12.14 H new HETATM 0 H21 EDO A1101 7.973 32.346 -7.286 1.00 12.14 H new HETATM 0 H12 EDO A1101 8.326 32.338 -5.017 1.00 12.79 H new HETATM 0 H11 EDO A1101 7.006 31.530 -5.211 1.00 12.79 H new HETATM 1551 C1 EDO A1102 12.441 20.012 -3.011 1.00 21.35 C HETATM 1552 O1 EDO A1102 11.243 19.260 -3.379 1.00 26.07 O HETATM 1553 C2 EDO A1102 11.986 21.413 -2.859 1.00 22.40 C HETATM 1554 O2 EDO A1102 11.963 22.017 -4.030 1.00 25.79 O HETATM 0 HO1 EDO A1102 11.441 18.450 -3.481 1.00 26.07 H new HETATM 0 H22 EDO A1102 11.101 21.431 -2.462 1.00 22.40 H new HETATM 0 H21 EDO A1102 12.578 21.888 -2.255 1.00 22.40 H new HETATM 0 H12 EDO A1102 12.826 19.677 -2.186 1.00 21.35 H new HETATM 0 H11 EDO A1102 13.125 19.938 -3.694 1.00 21.35 H new HETATM 1555 C1 EDO A1103 27.675 38.497 -3.825 1.00 39.05 C HETATM 1556 O1 EDO A1103 28.855 38.070 -4.483 1.00 37.91 O HETATM 1557 C2 EDO A1103 26.856 39.196 -4.862 1.00 37.49 C HETATM 1558 O2 EDO A1103 26.851 40.602 -4.642 1.00 38.35 O HETATM 0 HO2 EDO A1103 26.887 40.757 -3.817 1.00 38.35 H new HETATM 0 HO1 EDO A1103 29.096 38.656 -5.034 1.00 37.91 H new HETATM 0 H22 EDO A1103 27.212 39.004 -5.744 1.00 37.49 H new HETATM 0 H21 EDO A1103 25.947 38.859 -4.843 1.00 37.49 H new HETATM 0 H12 EDO A1103 27.193 37.742 -3.452 1.00 39.05 H new HETATM 0 H11 EDO A1103 27.884 39.092 -3.088 1.00 39.05 H new HETATM 1559 C1 EDO A1104 34.495 34.330 4.282 1.00 37.84 C HETATM 1560 O1 EDO A1104 34.934 33.040 4.649 1.00 42.50 O HETATM 1561 C2 EDO A1104 33.182 34.138 3.534 1.00 31.76 C HETATM 1562 O2 EDO A1104 33.156 34.745 2.232 1.00 26.71 O HETATM 0 HO2 EDO A1104 33.105 34.147 1.645 1.00 26.71 H new HETATM 0 HO1 EDO A1104 35.661 33.099 5.066 1.00 42.50 H new HETATM 0 H22 EDO A1104 33.009 33.188 3.441 1.00 31.76 H new HETATM 0 H21 EDO A1104 32.460 34.507 4.067 1.00 31.76 H new HETATM 0 H12 EDO A1104 34.369 34.888 5.065 1.00 37.84 H new HETATM 0 H11 EDO A1104 35.151 34.772 3.721 1.00 37.84 H new HETATM 1563 BR BR A1105 24.779 23.064 6.808 1.00 29.95 BR HETATM 1564 BR BR A1106 1.913 28.006 6.705 1.00 44.13 BR HETATM 1565 BR BR A1107 11.276 45.879 5.558 1.00 40.95 BR HETATM 1566 BR BR A1108 21.702 40.207 -6.414 1.00 38.83 BR HETATM 1567 C1 EDO B1101 9.763 38.113 13.954 1.00 30.21 C HETATM 1568 O1 EDO B1101 8.431 37.615 14.263 1.00 33.96 O HETATM 1569 C2 EDO B1101 10.093 38.239 12.462 1.00 24.54 C HETATM 1570 O2 EDO B1101 10.987 39.346 12.097 1.00 21.13 O HETATM 0 HO2 EDO B1101 11.539 39.477 12.717 1.00 21.13 H new HETATM 0 HO1 EDO B1101 8.398 36.790 14.110 1.00 33.96 H new HETATM 0 H22 EDO B1101 10.497 37.408 12.166 1.00 24.54 H new HETATM 0 H21 EDO B1101 9.262 38.341 11.972 1.00 24.54 H new HETATM 0 H12 EDO B1101 9.869 38.984 14.367 1.00 30.21 H new HETATM 0 H11 EDO B1101 10.415 37.523 14.364 1.00 30.21 H new HETATM 1571 C1 EDO B1102 -19.151 41.568 20.546 1.00 42.12 C HETATM 1572 O1 EDO B1102 -19.823 40.616 19.741 1.00 43.77 O HETATM 1573 C2 EDO B1102 -19.275 42.948 19.958 1.00 43.97 C HETATM 1574 O2 EDO B1102 -19.121 42.889 18.528 1.00 41.12 O HETATM 0 HO2 EDO B1102 -18.304 42.876 18.334 1.00 41.12 H new HETATM 0 HO1 EDO B1102 -20.653 40.718 19.820 1.00 43.77 H new HETATM 0 H22 EDO B1102 -20.139 43.327 20.182 1.00 43.97 H new HETATM 0 H21 EDO B1102 -18.601 43.532 20.340 1.00 43.97 H new HETATM 0 H12 EDO B1102 -19.522 41.559 21.442 1.00 42.12 H new HETATM 0 H11 EDO B1102 -18.214 41.328 20.624 1.00 42.12 H new HETATM 1575 C1 EDO B1103 -18.751 41.646 11.974 1.00 36.04 C HETATM 1576 O1 EDO B1103 -18.838 42.216 13.268 1.00 28.28 O HETATM 1577 C2 EDO B1103 -17.923 42.621 11.151 1.00 39.69 C HETATM 1578 O2 EDO B1103 -18.694 43.716 10.669 1.00 47.28 O HETATM 0 HO2 EDO B1103 -18.202 44.230 10.222 1.00 47.28 H new HETATM 0 HO1 EDO B1103 -18.079 42.213 13.628 1.00 28.28 H new HETATM 0 H22 EDO B1103 -17.192 42.957 11.692 1.00 39.69 H new HETATM 0 H21 EDO B1103 -17.528 42.152 10.400 1.00 39.69 H new HETATM 0 H12 EDO B1103 -18.331 40.772 12.005 1.00 36.04 H new HETATM 0 H11 EDO B1103 -19.632 41.524 11.587 1.00 36.04 H new HETATM 1579 BR BR B1104 4.841 56.293 17.502 1.00 29.93 BR HETATM 1580 BR BR B1105 4.990 49.589 24.687 1.00 55.40 BR HETATM 1581 BR BR B1106 1.466 57.648 12.963 1.00 72.71 BR HETATM 1582 O HOH A1201 36.246 31.715 4.295 1.00 41.01 O HETATM 1583 O HOH A1202 15.455 45.727 1.490 1.00 20.64 O HETATM 1584 O HOH A1203 32.189 47.880 5.894 1.00 35.55 O HETATM 1585 O HOH A1204 30.055 49.227 9.192 1.00 29.03 O HETATM 1586 O HOH A1205 11.701 35.704 16.587 1.00 25.53 O HETATM 1587 O HOH A1206 38.074 40.254 -0.222 0.50 23.72 O HETATM 1588 O HOH A1207 10.629 24.839 15.981 1.00 31.84 O HETATM 1589 O HOH A1208 35.577 38.737 9.400 1.00 38.03 O HETATM 1590 O HOH A1209 36.683 39.197 11.818 1.00 30.08 O HETATM 1591 O HOH A1210 30.259 40.605 -3.661 1.00 30.63 O HETATM 1592 O HOH A1211 29.068 33.747 -5.366 1.00 33.10 O HETATM 1593 O HOH A1212 30.695 48.442 13.835 1.00 29.49 O HETATM 1594 O HOH A1213 23.004 36.782 17.295 1.00 20.97 O HETATM 1595 O HOH A1214 19.628 43.502 -2.691 1.00 22.13 O HETATM 1596 O HOH A1215 22.042 48.049 10.056 1.00 31.84 O HETATM 1597 O HOH A1216 21.931 27.484 11.862 1.00 32.36 O HETATM 1598 O HOH A1217 18.954 22.258 0.324 1.00 22.67 O HETATM 1599 O HOH A1218 31.574 40.242 15.805 1.00 24.61 O HETATM 1600 O HOH A1219 16.464 45.020 -4.474 1.00 33.95 O HETATM 1601 O HOH A1220 2.061 30.778 -3.275 1.00 25.27 O HETATM 1602 O HOH A1221 27.466 23.824 4.841 1.00 21.47 O HETATM 1603 O HOH A1222 23.119 26.543 9.856 1.00 27.57 O HETATM 1604 O HOH A1223 7.014 29.337 9.190 1.00 23.86 O HETATM 1605 O HOH A1224 6.397 27.895 -8.855 1.00 21.48 O HETATM 1606 O HOH A1225 17.294 49.060 12.330 1.00 38.54 O HETATM 1607 O HOH A1226 12.773 37.870 -3.272 1.00 12.75 O HETATM 1608 O HOH A1227 3.527 35.395 -1.510 1.00 23.44 O HETATM 1609 O HOH A1228 17.696 22.757 9.695 1.00 21.38 O HETATM 1610 O HOH A1229 4.085 32.707 1.513 1.00 16.19 O HETATM 1611 O HOH A1230 1.373 32.534 -1.397 1.00 39.52 O HETATM 1612 O HOH A1231 22.788 33.115 19.119 1.00 36.26 O HETATM 1613 O HOH A1232 17.321 28.603 14.910 1.00 37.63 O HETATM 1614 O HOH A1233 13.622 42.383 -2.924 1.00 27.56 O HETATM 1615 O HOH A1234 27.242 37.177 21.587 1.00 27.01 O HETATM 1616 O HOH A1235 27.700 44.364 -3.028 1.00 27.17 O HETATM 1617 O HOH A1236 20.938 43.681 5.323 1.00 12.25 O HETATM 1618 O HOH A1237 14.058 28.361 -7.972 1.00 26.00 O HETATM 1619 O HOH A1238 20.726 33.588 17.368 1.00 31.34 O HETATM 1620 O HOH A1239 2.261 37.513 2.147 1.00 6.81 O HETATM 1621 O HOH A1240 5.928 24.723 2.180 1.00 13.26 O HETATM 1622 O HOH A1241 0.259 30.089 1.563 1.00 29.54 O HETATM 1623 O HOH A1242 24.708 48.270 9.746 1.00 15.40 O HETATM 1624 O HOH A1243 11.761 31.832 16.338 1.00 36.06 O HETATM 1625 O HOH A1244 18.341 48.846 9.069 1.00 24.99 O HETATM 1626 O HOH A1245 14.256 46.744 3.432 1.00 28.19 O HETATM 1627 O HOH A1246 24.251 47.012 12.499 1.00 28.69 O HETATM 1628 O HOH A1247 7.644 24.967 14.025 1.00 36.64 O HETATM 1629 O HOH A1248 30.433 31.077 7.956 1.00 36.23 O HETATM 1630 O HOH A1249 5.675 21.521 0.921 1.00 21.91 O HETATM 1631 O HOH A1250 5.021 27.558 -4.517 1.00 14.55 O HETATM 1632 O HOH A1251 34.108 39.007 17.216 1.00 28.76 O HETATM 1633 O HOH A1252 4.093 31.805 -5.409 1.00 28.19 O HETATM 1634 O HOH A1253 14.220 21.008 7.506 1.00 31.98 O HETATM 1635 O HOH A1254 24.334 43.468 21.810 1.00 17.59 O HETATM 1636 O HOH A1255 7.885 29.335 2.474 1.00 11.54 O HETATM 1637 O HOH A1256 20.899 35.623 -6.087 1.00 16.63 O HETATM 1638 O HOH A1257 24.468 42.599 -2.088 1.00 26.87 O HETATM 1639 O HOH A1258 9.203 23.430 8.779 1.00 24.10 O HETATM 1640 O HOH A1259 14.576 42.822 -6.176 1.00 15.64 O HETATM 1641 O HOH A1260 20.532 25.680 -1.850 1.00 20.52 O HETATM 1642 O HOH A1261 11.078 27.097 -8.609 1.00 18.73 O HETATM 1643 O HOH A1262 15.543 25.303 17.053 1.00 23.56 O HETATM 1644 O HOH A1263 1.777 32.808 8.381 1.00 13.21 O HETATM 1645 O HOH A1264 6.691 31.865 2.233 1.00 8.85 O HETATM 1646 O HOH A1265 10.192 42.533 -2.079 1.00 13.43 O HETATM 1647 O HOH A1266 29.589 46.914 17.742 1.00 28.59 O HETATM 1648 O HOH A1267 30.737 40.191 0.941 1.00 17.99 O HETATM 1649 O HOH A1268 29.656 38.548 13.626 1.00 20.77 O HETATM 1650 O HOH A1269 32.630 34.925 -4.337 1.00 39.42 O HETATM 1651 O HOH A1270 8.765 25.688 10.174 1.00 17.86 O HETATM 1652 O HOH A1271 17.664 35.682 16.670 1.00 21.94 O HETATM 1653 O HOH A1272 16.307 27.889 -6.666 1.00 27.66 O HETATM 1654 O HOH A1273 7.814 41.416 9.480 1.00 14.17 O HETATM 1655 O HOH A1274 20.634 44.708 1.162 1.00 21.05 O HETATM 1656 O HOH A1275 20.375 27.346 -4.329 1.00 32.08 O HETATM 1657 O HOH A1276 7.955 32.923 9.867 1.00 20.87 O HETATM 1658 O HOH A1277 29.158 40.804 15.321 1.00 16.39 O HETATM 1659 O HOH A1278 5.012 30.702 8.297 1.00 24.57 O HETATM 1660 O HOH A1279 16.894 18.461 3.226 1.00 34.91 O HETATM 1661 O HOH A1280 30.215 29.705 13.312 1.00 36.06 O HETATM 1662 O HOH A1281 29.719 26.123 2.010 1.00 31.63 O HETATM 1663 O HOH A1282 28.862 28.303 -3.401 1.00 21.45 O HETATM 1664 O HOH A1283 24.487 41.095 -6.266 1.00 33.23 O HETATM 1665 O HOH A1284 30.210 31.797 11.807 1.00 24.00 O HETATM 1666 O HOH A1285 8.983 27.619 8.237 1.00 12.61 O HETATM 1667 O HOH A1286 12.581 45.185 1.604 1.00 17.97 O HETATM 1668 O HOH A1287 23.657 47.259 7.044 1.00 24.28 O HETATM 1669 O HOH A1288 13.439 22.418 14.298 1.00 38.99 O HETATM 1670 O HOH A1289 26.871 29.248 13.431 1.00 30.98 O HETATM 1671 O HOH A1290 16.175 22.833 11.969 1.00 23.75 O HETATM 1672 O HOH A1291 15.439 47.574 8.390 1.00 23.53 O HETATM 1673 O HOH A1292 16.494 21.290 7.672 1.00 19.38 O HETATM 1674 O HOH A1293 23.499 28.998 13.499 1.00 21.26 O HETATM 1675 O HOH A1294 28.299 31.397 9.452 1.00 21.93 O HETATM 1676 O HOH A1295 20.252 43.471 16.727 1.00 19.88 O HETATM 1677 O HOH A1296 37.658 33.803 0.688 1.00 27.92 O HETATM 1678 O HOH A1297 22.536 32.685 -4.471 1.00 31.59 O HETATM 1679 O HOH A1298 20.432 46.504 3.180 1.00 30.09 O HETATM 1680 O HOH A1299 13.059 41.423 -0.755 1.00 28.03 O HETATM 1681 O HOH A1300 32.618 31.230 -4.403 1.00 29.22 O HETATM 1682 O HOH A1301 21.858 22.492 2.410 1.00 33.84 O HETATM 1683 O HOH A1302 3.405 25.374 -5.702 1.00 41.47 O HETATM 1684 O HOH A1303 23.704 30.824 -5.026 1.00 29.27 O HETATM 1685 O HOH A1304 19.592 23.908 -3.973 1.00 28.68 O HETATM 1686 O HOH A1305 16.851 45.458 -0.373 1.00 41.12 O HETATM 1687 O HOH A1306 14.828 44.370 -0.049 1.00 38.56 O HETATM 1688 O HOH A1307 12.044 23.956 -7.632 1.00 12.40 O HETATM 1689 O HOH A1308 17.927 18.060 1.386 1.00 38.06 O HETATM 1690 O HOH A1309 3.382 29.463 -4.504 1.00 34.76 O HETATM 1691 O HOH A1310 31.309 43.700 -0.984 1.00 30.19 O HETATM 1692 O HOH A1311 32.215 44.593 15.984 1.00 33.27 O HETATM 1693 O HOH A1312 17.912 21.609 -1.545 1.00 39.97 O HETATM 1694 O HOH A1313 0.122 33.127 3.724 1.00 39.83 O HETATM 1695 O HOH A1314 4.098 23.143 -6.946 1.00 32.13 O HETATM 1696 O HOH A1315 35.523 29.701 6.100 1.00 36.37 O HETATM 1697 O HOH A1316 3.879 20.193 -1.377 1.00 36.15 O HETATM 1698 O HOH A1317 11.085 46.205 -0.800 1.00 25.13 O HETATM 1699 O HOH A1318 23.434 25.509 -1.429 1.00 28.87 O HETATM 1700 O HOH A1319 23.479 23.935 1.544 1.00 45.68 O HETATM 1701 O HOH A1320 33.258 50.966 9.288 1.00 36.19 O HETATM 1702 O HOH A1321 19.843 42.780 -6.901 1.00 38.00 O HETATM 1703 O HOH A1322 4.249 22.979 3.639 1.00 33.74 O HETATM 1704 O HOH A1323 23.493 36.902 -8.883 1.00 30.24 O HETATM 1705 O HOH A1324 33.006 43.960 0.127 1.00 29.98 O HETATM 1706 O HOH A1325 8.717 27.013 -9.825 1.00 29.80 O HETATM 1707 O HOH A1326 2.289 34.422 -5.051 1.00 26.52 O HETATM 1708 O HOH A1327 17.273 27.019 17.411 1.00 36.11 O HETATM 1709 O HOH A1328 14.550 18.579 2.889 1.00 30.90 O HETATM 1710 O HOH A1329 14.574 24.948 -8.645 1.00 36.05 O HETATM 1711 O HOH A1330 24.899 47.800 15.811 1.00 47.59 O HETATM 1712 O HOH A1331 17.326 23.420 16.941 1.00 32.51 O HETATM 1713 O HOH A1332 2.910 21.750 0.529 1.00 35.10 O HETATM 1714 O HOH A1333 7.395 43.801 8.332 1.00 16.78 O HETATM 1715 O HOH A1334 -0.056 26.863 4.583 1.00 28.05 O HETATM 1716 O HOH B1201 -21.631 39.904 18.446 1.00 24.52 O HETATM 1717 O HOH B1202 2.876 54.271 20.420 1.00 30.39 O HETATM 1718 O HOH B1203 -20.459 40.931 14.505 1.00 26.98 O HETATM 1719 O HOH B1204 -2.159 53.090 7.008 1.00 28.16 O HETATM 1720 O HOH B1205 9.465 51.843 -0.076 1.00 29.65 O HETATM 1721 O HOH B1206 3.969 51.405 4.948 1.00 16.71 O HETATM 1722 O HOH B1207 16.065 49.382 10.383 1.00 20.03 O HETATM 1723 O HOH B1208 -10.673 27.661 22.506 1.00 33.07 O HETATM 1724 O HOH B1209 9.606 47.892 3.056 1.00 22.71 O HETATM 1725 O HOH B1210 -8.020 28.132 16.397 1.00 29.69 O HETATM 1726 O HOH B1211 0.000 50.792 0.000 0.50 30.70 O HETATM 1727 O HOH B1212 -20.060 36.829 12.016 1.00 13.74 O HETATM 1728 O HOH B1213 11.161 57.020 17.515 1.00 30.28 O HETATM 1729 O HOH B1214 15.093 41.806 17.102 1.00 28.25 O HETATM 1730 O HOH B1215 -15.524 32.788 16.378 1.00 11.96 O HETATM 1731 O HOH B1216 -8.994 30.666 19.350 1.00 20.65 O HETATM 1732 O HOH B1217 6.869 45.695 3.749 1.00 8.49 O HETATM 1733 O HOH B1218 -7.106 53.763 10.321 1.00 21.47 O HETATM 1734 O HOH B1219 -2.190 41.249 27.478 1.00 36.15 O HETATM 1735 O HOH B1220 -14.316 46.740 21.937 1.00 20.25 O HETATM 1736 O HOH B1221 -12.683 46.922 11.416 1.00 25.79 O HETATM 1737 O HOH B1222 2.733 32.980 11.322 1.00 29.50 O HETATM 1738 O HOH B1223 -3.233 30.543 24.449 1.00 16.24 O HETATM 1739 O HOH B1224 -6.264 36.055 5.452 1.00 14.84 O HETATM 1740 O HOH B1225 -21.413 44.197 18.628 1.00 31.35 O HETATM 1741 O HOH B1226 -6.308 53.679 6.778 1.00 17.66 O HETATM 1742 O HOH B1227 -4.921 49.088 24.666 1.00 32.57 O HETATM 1743 O HOH B1228 11.268 43.336 10.304 1.00 14.26 O HETATM 1744 O HOH B1229 14.222 41.782 19.677 1.00 23.41 O HETATM 1745 O HOH B1230 -15.029 38.727 4.478 1.00 10.67 O HETATM 1746 O HOH B1231 -16.801 40.320 18.724 1.00 18.26 O HETATM 1747 O HOH B1232 7.755 43.674 20.856 1.00 12.35 O HETATM 1748 O HOH B1233 -1.458 30.861 15.194 1.00 28.35 O HETATM 1749 O HOH B1234 9.704 41.581 11.414 1.00 12.31 O HETATM 1750 O HOH B1235 -2.900 49.926 0.158 1.00 27.10 O HETATM 1751 O HOH B1236 -1.315 52.563 15.205 1.00 14.82 O HETATM 1752 O HOH B1237 -0.606 29.770 20.243 1.00 33.33 O HETATM 1753 O HOH B1238 -17.634 45.220 22.087 1.00 35.80 O HETATM 1754 O HOH B1239 1.415 35.418 21.039 1.00 22.60 O HETATM 1755 O HOH B1240 1.341 39.394 0.340 1.00 7.75 O HETATM 1756 O HOH B1241 13.697 37.690 17.288 1.00 28.61 O HETATM 1757 O HOH B1242 11.272 38.505 19.610 1.00 28.60 O HETATM 1758 O HOH B1243 -16.320 29.620 14.915 1.00 23.00 O HETATM 1759 O HOH B1244 -14.108 31.412 7.795 1.00 10.73 O HETATM 1760 O HOH B1245 5.841 40.009 21.820 1.00 18.64 O HETATM 1761 O HOH B1246 -2.966 37.507 26.252 1.00 22.29 O HETATM 1762 O HOH B1247 7.398 34.241 11.789 1.00 21.29 O HETATM 1763 O HOH B1248 -12.086 45.699 23.228 1.00 18.80 O HETATM 1764 O HOH B1249 -2.150 51.694 3.327 1.00 32.84 O HETATM 1765 O HOH B1250 -6.934 55.548 20.352 1.00 23.19 O HETATM 1766 O HOH B1251 -8.724 53.923 15.368 1.00 31.81 O HETATM 1767 O HOH B1252 5.089 59.203 9.923 1.00 35.88 O HETATM 1768 O HOH B1253 1.109 53.579 -0.724 1.00 18.59 O HETATM 1769 O HOH B1254 -8.377 32.517 21.512 1.00 14.76 O HETATM 1770 O HOH B1255 -12.096 28.592 18.743 1.00 46.76 O HETATM 1771 O HOH B1256 -21.296 37.693 7.687 1.00 14.63 O HETATM 1772 O HOH B1257 13.809 48.289 16.157 1.00 17.15 O HETATM 1773 O HOH B1258 17.475 43.054 15.717 1.00 25.54 O HETATM 1774 O HOH B1259 -8.505 46.273 4.424 1.00 11.50 O HETATM 1775 O HOH B1260 8.585 39.387 21.641 1.00 17.52 O HETATM 1776 O HOH B1261 -9.192 39.477 23.416 1.00 19.85 O HETATM 1777 O HOH B1262 -1.079 50.027 22.776 1.00 31.13 O HETATM 1778 O HOH B1263 -13.673 37.283 16.671 1.00 12.89 O HETATM 1779 O HOH B1264 6.061 54.495 19.645 1.00 23.61 O HETATM 1780 O HOH B1265 10.524 47.065 15.167 1.00 14.38 O HETATM 1781 O HOH B1266 2.484 42.005 24.063 1.00 24.97 O HETATM 1782 O HOH B1267 -2.554 45.980 25.473 1.00 25.63 O HETATM 1783 O HOH B1268 -14.443 44.996 11.026 1.00 27.59 O HETATM 1784 O HOH B1269 -11.918 40.574 3.426 1.00 24.67 O HETATM 1785 O HOH B1270 -20.249 37.063 20.130 1.00 19.12 O HETATM 1786 O HOH B1271 -6.603 30.891 24.914 1.00 20.95 O HETATM 1787 O HOH B1272 1.445 51.597 1.487 1.00 28.39 O HETATM 1788 O HOH B1273 1.103 31.744 22.869 1.00 25.96 O HETATM 1789 O HOH B1274 -10.821 43.229 23.503 1.00 17.46 O HETATM 1790 O HOH B1275 -10.442 35.997 22.429 1.00 15.51 O HETATM 1791 O HOH B1276 -19.541 44.482 15.128 1.00 37.36 O HETATM 1792 O HOH B1277 6.711 39.848 11.413 1.00 12.91 O HETATM 1793 O HOH B1278 2.689 34.891 14.216 1.00 16.64 O HETATM 1794 O HOH B1279 17.301 46.541 15.466 1.00 20.50 O HETATM 1795 O HOH B1280 -12.777 37.254 23.015 1.00 23.83 O HETATM 1796 O HOH B1281 7.440 58.908 9.184 1.00 37.76 O HETATM 1797 O HOH B1282 -12.051 48.928 9.938 1.00 25.37 O HETATM 1798 O HOH B1283 -1.896 46.945 0.596 1.00 12.01 O HETATM 1799 O HOH B1284 -0.237 56.235 14.847 1.00 29.94 O HETATM 1800 O HOH B1285 -9.877 48.935 24.709 1.00 31.36 O HETATM 1801 O HOH B1286 9.035 45.615 0.631 1.00 14.00 O HETATM 1802 O HOH B1287 11.388 48.680 17.424 1.00 16.74 O HETATM 1803 O HOH B1288 -14.614 39.708 17.528 1.00 14.73 O HETATM 1804 O HOH B1289 12.733 48.873 8.867 1.00 28.04 O HETATM 1805 O HOH B1290 11.189 46.786 9.988 1.00 22.06 O HETATM 1806 O HOH B1291 -5.676 37.860 27.805 1.00 40.01 O HETATM 1807 O HOH B1292 14.986 51.518 8.441 1.00 33.77 O HETATM 1808 O HOH B1293 7.282 58.509 15.245 1.00 28.23 O HETATM 1809 O HOH B1294 -3.828 54.378 12.674 1.00 20.41 O HETATM 1810 O HOH B1295 0.394 34.329 28.536 1.00 25.03 O HETATM 1811 O HOH B1296 0.802 57.488 18.632 1.00 32.24 O HETATM 1812 O HOH B1297 -0.016 55.503 6.418 1.00 32.22 O HETATM 1813 O HOH B1298 -9.422 34.581 20.096 1.00 12.63 O HETATM 1814 O HOH B1299 -1.514 30.405 17.616 1.00 25.28 O HETATM 1815 O HOH B1300 2.351 56.162 15.472 1.00 18.08 O HETATM 1816 O HOH B1301 3.822 47.356 26.301 1.00 28.64 O HETATM 1817 O HOH B1302 5.832 37.110 15.732 1.00 17.15 O HETATM 1818 O HOH B1303 -6.542 27.593 11.964 1.00 35.21 O HETATM 1819 O HOH B1304 -13.266 44.886 4.569 1.00 11.14 O HETATM 1820 O HOH B1305 -8.030 51.395 5.162 1.00 19.30 O HETATM 1821 O HOH B1306 9.252 56.295 6.217 1.00 34.55 O HETATM 1822 O HOH B1307 -21.540 29.746 11.769 1.00 38.03 O HETATM 1823 O HOH B1308 -10.578 51.370 15.396 1.00 28.19 O HETATM 1824 O HOH B1309 -16.228 34.599 22.993 1.00 19.29 O HETATM 1825 O HOH B1310 1.921 52.183 22.048 1.00 37.04 O HETATM 1826 O HOH B1311 -3.477 29.594 13.979 1.00 19.63 O HETATM 1827 O HOH B1312 12.562 50.473 4.083 1.00 32.19 O HETATM 1828 O HOH B1313 14.620 49.233 24.528 1.00 30.92 O HETATM 1829 O HOH B1314 16.021 47.683 23.625 1.00 36.69 O HETATM 1830 O HOH B1315 -10.133 53.911 18.672 1.00 30.68 O HETATM 1831 O HOH B1316 4.096 39.748 23.786 1.00 26.25 O HETATM 1832 O HOH B1317 4.447 37.771 20.898 1.00 29.20 O HETATM 1833 O HOH B1318 5.935 44.084 5.978 1.00 11.67 O HETATM 1834 O HOH B1319 17.215 53.013 8.911 1.00 37.59 O HETATM 1835 O HOH B1320 6.435 52.531 -3.116 1.00 33.51 O HETATM 1836 O HOH B1321 0.503 35.260 2.066 1.00 20.03 O HETATM 1837 O HOH B1322 -2.190 33.429 6.746 1.00 35.72 O HETATM 1838 O HOH B1323 3.918 53.435 -3.811 1.00 39.63 O HETATM 1839 O HOH B1324 -10.457 33.169 23.695 1.00 28.52 O HETATM 1840 O HOH B1325 -8.237 48.106 2.560 1.00 21.47 O HETATM 1841 O HOH B1326 -8.948 54.146 21.194 1.00 41.01 O HETATM 1842 O HOH B1327 0.612 31.748 27.450 1.00 35.84 O HETATM 1843 O HOH B1328 -15.987 50.608 19.939 1.00 30.68 O HETATM 1844 O HOH B1329 1.580 42.182 26.815 1.00 28.71 O HETATM 1845 O HOH B1330 -12.326 41.603 25.091 1.00 20.42 O HETATM 1846 O HOH B1331 -6.312 54.927 12.686 1.00 32.69 O HETATM 1847 O HOH B1332 -14.555 37.902 26.031 1.00 28.81 O HETATM 1848 O HOH B1333 -19.409 30.020 8.377 1.00 29.04 O HETATM 1849 O HOH B1334 -3.824 36.308 4.202 1.00 17.35 O HETATM 1850 O HOH B1335 -22.862 42.409 17.909 1.00 26.84 O HETATM 1851 O HOH B1336 9.672 36.737 17.826 1.00 36.59 O HETATM 1852 O HOH B1337 -14.211 35.766 24.719 1.00 28.55 O HETATM 1853 O HOH B1338 -1.728 30.178 8.068 1.00 28.57 O HETATM 1854 O HOH B1339 -6.556 29.076 18.206 1.00 30.04 O HETATM 1855 O HOH B1340 -21.041 38.507 13.901 1.00 29.56 O HETATM 1856 O HOH B1341 -2.605 60.615 21.453 1.00 31.52 O HETATM 1857 O HOH B1342 -13.831 33.421 25.685 1.00 41.18 O HETATM 1858 O HOH B1343 -4.108 54.440 6.017 1.00 32.75 O HETATM 1859 O HOH B1344 -3.938 26.654 8.671 1.00 31.40 O HETATM 1860 O HOH B1345 -16.345 46.524 23.411 1.00 32.78 O HETATM 1861 O HOH B1346 -17.019 30.863 17.787 1.00 34.45 O HETATM 1862 O HOH B1347 -22.558 42.282 15.267 1.00 34.46 O HETATM 1863 O HOH B1348 -8.324 40.392 25.838 1.00 25.10 O HETATM 1864 O HOH B1349 -1.663 45.857 28.001 1.00 40.84 O HETATM 1865 O HOH B1350 10.060 44.994 8.319 1.00 17.92 O HETATM 1866 O HOH B1351 -10.576 44.973 3.132 1.00 14.97 O HETATM 1867 O HOH B1352 -8.944 44.082 25.306 1.00 32.27 O HETATM 1868 O HOH B1353 -12.680 46.391 25.816 1.00 31.35 O HETATM 1869 O HOH B1354 -5.318 46.739 25.370 1.00 33.11 O HETATM 1870 O HOH B1355 -4.250 29.349 17.093 1.00 37.80 O HETATM 1871 O HOH B1356 -23.241 37.815 14.984 1.00 31.59 O CONECT 1547 1548 1549 CONECT 1548 1547 CONECT 1549 1547 1550 CONECT 1550 1549 CONECT 1551 1552 1553 CONECT 1552 1551 CONECT 1553 1551 1554 CONECT 1554 1553 CONECT 1555 1556 1557 CONECT 1556 1555 CONECT 1557 1555 1558 CONECT 1558 1557 CONECT 1559 1560 1561 CONECT 1560 1559 CONECT 1561 1559 1562 CONECT 1562 1561 CONECT 1567 1568 1569 CONECT 1568 1567 CONECT 1569 1567 1570 CONECT 1570 1569 CONECT 1571 1572 1573 CONECT 1572 1571 CONECT 1573 1571 1574 CONECT 1574 1573 CONECT 1575 1576 1577 CONECT 1576 1575 CONECT 1577 1575 1578 CONECT 1578 1577 END