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*** HORMONE RECEPTOR, SIGNALING PROTEIN 02-OCT-09 3K3K ***elNémo ID: 22022810242374253Job options:ID = 22022810242374253 JOBID = HORMONE RECEPTOR, SIGNALING PROTEIN 02-OCT-09 3K3K USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER HORMONE RECEPTOR, SIGNALING PROTEIN 02-OCT-09 3K3K TITLE CRYSTAL STRUCTURE OF DIMERIC ABSCISIC ACID (ABA) RECEPTOR PYRABACTIN TITLE 2 RESISTANCE 1 (PYR1) WITH ABA-BOUND CLOSED-LID AND ABA-FREE OPEN-LID TITLE 3 SUBUNITS COMPND MOL_ID: 1; COMPND 2 MOLECULE: ABSCISIC ACID RECEPTOR PYR1; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: PYRABACTIN RESISTANCE 1, GENE PRODUCT AT4G17870, REGULATORY COMPND 5 COMPONENT OF ABA RECEPTOR 11, RCAR11, GENE PRODUCT T6K21.50; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; SOURCE 3 ORGANISM_COMMON: MOUSE-EAR CRESS; SOURCE 4 ORGANISM_TAXID: 3702; SOURCE 5 GENE: AT4G17870, PYR1, T6K21.50; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET28 KEYWDS PYR1, ABSCISIC ACID, ABA RECEPTOR, PLANT HORMONE RECEPTOR, ABA, ABA KEYWDS 2 SENSOR, DROUGHT TOLERANCE, PLANT DEVELOPMENT, SEED DORMANCY, KEYWDS 3 ALPHA/BETA HELIX-GRIP FOLD, START PROTEIN, CLUSTER A TYPE 2C PROTEIN KEYWDS 4 PHOSPHATASE (PP2C) INHIBITOR, PYRABACTIN RESISTANCE 1, PYRABACTIN, KEYWDS 5 PYL, PHYTOHORMONE, HORMONE RECEPTOR, SIGNALING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR A.S.ARVAI,K.HITOMI,E.D.GETZOFF REVDAT 3 13-JUL-11 3K3K 1 VERSN REVDAT 2 22-DEC-09 3K3K 1 JRNL REVDAT 1 17-NOV-09 3K3K 0 JRNL AUTH N.NISHIMURA,K.HITOMI,A.S.ARVAI,R.P.RAMBO,C.HITOMI, JRNL AUTH 2 S.R.CUTLER,J.I.SCHROEDER,E.D.GETZOFF JRNL TITL STRUCTURAL MECHANISM OF ABSCISIC ACID BINDING AND SIGNALING JRNL TITL 2 BY DIMERIC PYR1. JRNL REF SCIENCE V. 326 1373 2009 JRNL REFN ISSN 0036-8075 JRNL PMID 19933100 JRNL DOI 10.1126/SCIENCE.1181829 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 50.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 96.7 REMARK 3 NUMBER OF REFLECTIONS : 53122 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) : 0.191 REMARK 3 R VALUE (WORKING SET) : 0.189 REMARK 3 FREE R VALUE : 0.237 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 2685 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) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.74 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2873 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 75.43 REMARK 3 BIN R VALUE (WORKING SET) : 0.3010 REMARK 3 BIN FREE R VALUE SET COUNT : 172 REMARK 3 BIN FREE R VALUE : 0.3430 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2924 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 19 REMARK 3 SOLVENT ATOMS : 380 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 30.70 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 53.87 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 2.29000 REMARK 3 B22 (A**2) : -2.57000 REMARK 3 B33 (A**2) : 0.69000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 1.30000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.101 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.108 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.086 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.644 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.971 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.954 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3134 ; 0.014 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 4271 ; 1.512 ; 1.955 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 400 ; 6.108 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 156 ;31.363 ;23.333 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 564 ;13.995 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 32 ;18.665 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 480 ; 0.114 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2406 ; 0.007 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 1469 ; 0.214 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 2154 ; 0.308 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 304 ; 0.169 ; 0.200 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): 53 ; 0.225 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 30 ; 0.214 ; 0.200 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): 1954 ;16.864 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 3112 ;19.835 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1314 ;40.101 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1143 ;42.347 ; 4.500 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 : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 0.90 REMARK 3 ION PROBE RADIUS : 0.90 REMARK 3 SHRINKAGE RADIUS : 0.70 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 3K3K COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-OCT-09. REMARK 100 THE RCSB ID CODE IS RCSB055501. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 29-MAY-09 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.2 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 12.3.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.115932 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 53191 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.6 REMARK 200 DATA REDUNDANCY : 3.900 REMARK 200 R MERGE (I) : 0.05400 REMARK 200 R SYM (I) : 0.05400 REMARK 200 FOR THE DATA SET : 22.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.76 REMARK 200 COMPLETENESS FOR SHELL (%) : 76.6 REMARK 200 DATA REDUNDANCY IN SHELL : 2.80 REMARK 200 R MERGE FOR SHELL (I) : 0.39100 REMARK 200 R SYM FOR SHELL (I) : 0.39100 REMARK 200 FOR SHELL : 2.500 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: PDB ENTRY 3F08 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 53.64 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.65 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20% PEG MME 2000, 5% AMMONIUM SULFATE, REMARK 280 5% NACL, PH 6.2, VAPOR DIFFUSION, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 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 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 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 SOFTWARE USED: UCSF CHIMERA 1.16_b42360. REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 -0.000000 0.00000 REMARK 350 BIOMT2 1 -0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 -0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -0.968510 -0.122013 -0.217029 19.54057 REMARK 350 BIOMT2 2 -0.122013 -0.527245 0.840908 -13.63295 REMARK 350 BIOMT3 2 -0.217029 0.840908 0.495755 10.49967 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 A 314 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 333 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 327 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 216 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 -19 REMARK 465 GLY A -18 REMARK 465 SER A -17 REMARK 465 SER A -16 REMARK 465 HIS A -15 REMARK 465 HIS A -14 REMARK 465 HIS A -13 REMARK 465 HIS A -12 REMARK 465 HIS A -11 REMARK 465 HIS A -10 REMARK 465 SER A -9 REMARK 465 SER A -8 REMARK 465 GLY A -7 REMARK 465 LEU A -6 REMARK 465 VAL A -5 REMARK 465 PRO A -4 REMARK 465 ARG A -3 REMARK 465 GLY A -2 REMARK 465 SER A -1 REMARK 465 HIS A 0 REMARK 465 ASP A 184 REMARK 465 GLY A 185 REMARK 465 SER A 186 REMARK 465 GLY A 187 REMARK 465 SER A 188 REMARK 465 GLN A 189 REMARK 465 VAL A 190 REMARK 465 THR A 191 REMARK 465 MET B -19 REMARK 465 GLY B -18 REMARK 465 SER B -17 REMARK 465 SER B -16 REMARK 465 HIS B -15 REMARK 465 HIS B -14 REMARK 465 HIS B -13 REMARK 465 HIS B -12 REMARK 465 HIS B -11 REMARK 465 HIS B -10 REMARK 465 SER B -9 REMARK 465 SER B -8 REMARK 465 GLY B -7 REMARK 465 LEU B -6 REMARK 465 VAL B -5 REMARK 465 PRO B -4 REMARK 465 ARG B -3 REMARK 465 GLY B -2 REMARK 465 SER B -1 REMARK 465 HIS B 0 REMARK 465 MET B 1 REMARK 465 GLY B 185 REMARK 465 SER B 186 REMARK 465 GLY B 187 REMARK 465 SER B 188 REMARK 465 GLN B 189 REMARK 465 VAL B 190 REMARK 465 THR B 191 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 PHE A 71 112.99 -22.23 REMARK 500 GLU A 132 -128.91 49.66 REMARK 500 SER A 152 33.93 -169.86 REMARK 500 GLU B 4 140.66 -172.25 REMARK 500 LEU B 25 59.72 -69.81 REMARK 500 ASN B 70 4.11 164.97 REMARK 500 LEU B 117 65.31 -110.22 REMARK 500 GLU B 132 -121.11 64.05 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH B 310 DISTANCE = 5.21 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE A8S B 1001 DBREF 3K3K A 1 191 UNP O49686 O49686_ARATH 1 191 DBREF 3K3K B 1 191 UNP O49686 O49686_ARATH 1 191 SEQADV 3K3K MET A -19 UNP O49686 EXPRESSION TAG SEQADV 3K3K GLY A -18 UNP O49686 EXPRESSION TAG SEQADV 3K3K SER A -17 UNP O49686 EXPRESSION TAG SEQADV 3K3K SER A -16 UNP O49686 EXPRESSION TAG SEQADV 3K3K HIS A -15 UNP O49686 EXPRESSION TAG SEQADV 3K3K HIS A -14 UNP O49686 EXPRESSION TAG SEQADV 3K3K HIS A -13 UNP O49686 EXPRESSION TAG SEQADV 3K3K HIS A -12 UNP O49686 EXPRESSION TAG SEQADV 3K3K HIS A -11 UNP O49686 EXPRESSION TAG SEQADV 3K3K HIS A -10 UNP O49686 EXPRESSION TAG SEQADV 3K3K SER A -9 UNP O49686 EXPRESSION TAG SEQADV 3K3K SER A -8 UNP O49686 EXPRESSION TAG SEQADV 3K3K GLY A -7 UNP O49686 EXPRESSION TAG SEQADV 3K3K LEU A -6 UNP O49686 EXPRESSION TAG SEQADV 3K3K VAL A -5 UNP O49686 EXPRESSION TAG SEQADV 3K3K PRO A -4 UNP O49686 EXPRESSION TAG SEQADV 3K3K ARG A -3 UNP O49686 EXPRESSION TAG SEQADV 3K3K GLY A -2 UNP O49686 EXPRESSION TAG SEQADV 3K3K SER A -1 UNP O49686 EXPRESSION TAG SEQADV 3K3K HIS A 0 UNP O49686 EXPRESSION TAG SEQADV 3K3K MET B -19 UNP O49686 EXPRESSION TAG SEQADV 3K3K GLY B -18 UNP O49686 EXPRESSION TAG SEQADV 3K3K SER B -17 UNP O49686 EXPRESSION TAG SEQADV 3K3K SER B -16 UNP O49686 EXPRESSION TAG SEQADV 3K3K HIS B -15 UNP O49686 EXPRESSION TAG SEQADV 3K3K HIS B -14 UNP O49686 EXPRESSION TAG SEQADV 3K3K HIS B -13 UNP O49686 EXPRESSION TAG SEQADV 3K3K HIS B -12 UNP O49686 EXPRESSION TAG SEQADV 3K3K HIS B -11 UNP O49686 EXPRESSION TAG SEQADV 3K3K HIS B -10 UNP O49686 EXPRESSION TAG SEQADV 3K3K SER B -9 UNP O49686 EXPRESSION TAG SEQADV 3K3K SER B -8 UNP O49686 EXPRESSION TAG SEQADV 3K3K GLY B -7 UNP O49686 EXPRESSION TAG SEQADV 3K3K LEU B -6 UNP O49686 EXPRESSION TAG SEQADV 3K3K VAL B -5 UNP O49686 EXPRESSION TAG SEQADV 3K3K PRO B -4 UNP O49686 EXPRESSION TAG SEQADV 3K3K ARG B -3 UNP O49686 EXPRESSION TAG SEQADV 3K3K GLY B -2 UNP O49686 EXPRESSION TAG SEQADV 3K3K SER B -1 UNP O49686 EXPRESSION TAG SEQADV 3K3K HIS B 0 UNP O49686 EXPRESSION TAG SEQRES 1 A 211 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 A 211 LEU VAL PRO ARG GLY SER HIS MET PRO SER GLU LEU THR SEQRES 3 A 211 PRO GLU GLU ARG SER GLU LEU LYS ASN SER ILE ALA GLU SEQRES 4 A 211 PHE HIS THR TYR GLN LEU ASP PRO GLY SER CYS SER SER SEQRES 5 A 211 LEU HIS ALA GLN ARG ILE HIS ALA PRO PRO GLU LEU VAL SEQRES 6 A 211 TRP SER ILE VAL ARG ARG PHE ASP LYS PRO GLN THR TYR SEQRES 7 A 211 LYS HIS PHE ILE LYS SER CYS SER VAL GLU GLN ASN PHE SEQRES 8 A 211 GLU MET ARG VAL GLY CYS THR ARG ASP VAL ILE VAL ILE SEQRES 9 A 211 SER GLY LEU PRO ALA ASN THR SER THR GLU ARG LEU ASP SEQRES 10 A 211 ILE LEU ASP ASP GLU ARG ARG VAL THR GLY PHE SER ILE SEQRES 11 A 211 ILE GLY GLY GLU HIS ARG LEU THR ASN TYR LYS SER VAL SEQRES 12 A 211 THR THR VAL HIS ARG PHE GLU LYS GLU ASN ARG ILE TRP SEQRES 13 A 211 THR VAL VAL LEU GLU SER TYR VAL VAL ASP MET PRO GLU SEQRES 14 A 211 GLY ASN SER GLU ASP ASP THR ARG MET PHE ALA ASP THR SEQRES 15 A 211 VAL VAL LYS LEU ASN LEU GLN LYS LEU ALA THR VAL ALA SEQRES 16 A 211 GLU ALA MET ALA ARG ASN SER GLY ASP GLY SER GLY SER SEQRES 17 A 211 GLN VAL THR SEQRES 1 B 211 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 B 211 LEU VAL PRO ARG GLY SER HIS MET PRO SER GLU LEU THR SEQRES 3 B 211 PRO GLU GLU ARG SER GLU LEU LYS ASN SER ILE ALA GLU SEQRES 4 B 211 PHE HIS THR TYR GLN LEU ASP PRO GLY SER CYS SER SER SEQRES 5 B 211 LEU HIS ALA GLN ARG ILE HIS ALA PRO PRO GLU LEU VAL SEQRES 6 B 211 TRP SER ILE VAL ARG ARG PHE ASP LYS PRO GLN THR TYR SEQRES 7 B 211 LYS HIS PHE ILE LYS SER CYS SER VAL GLU GLN ASN PHE SEQRES 8 B 211 GLU MET ARG VAL GLY CYS THR ARG ASP VAL ILE VAL ILE SEQRES 9 B 211 SER GLY LEU PRO ALA ASN THR SER THR GLU ARG LEU ASP SEQRES 10 B 211 ILE LEU ASP ASP GLU ARG ARG VAL THR GLY PHE SER ILE SEQRES 11 B 211 ILE GLY GLY GLU HIS ARG LEU THR ASN TYR LYS SER VAL SEQRES 12 B 211 THR THR VAL HIS ARG PHE GLU LYS GLU ASN ARG ILE TRP SEQRES 13 B 211 THR VAL VAL LEU GLU SER TYR VAL VAL ASP MET PRO GLU SEQRES 14 B 211 GLY ASN SER GLU ASP ASP THR ARG MET PHE ALA ASP THR SEQRES 15 B 211 VAL VAL LYS LEU ASN LEU GLN LYS LEU ALA THR VAL ALA SEQRES 16 B 211 GLU ALA MET ALA ARG ASN SER GLY ASP GLY SER GLY SER SEQRES 17 B 211 GLN VAL THR HET A8S B1001 19 HETNAM A8S (2Z,4E)-5-[(1S)-1-HYDROXY-2,6,6-TRIMETHYL-4- HETNAM 2 A8S OXOCYCLOHEX-2-EN-1-YL]-3-METHYLPENTA-2,4-DIENOIC ACID HETSYN A8S (+)-ABSCISIC ACID, (2Z,4E)-5-[(1S)-1-HYDROXY-2,6,6- HETSYN 2 A8S TRIMETHYL-4-OXO-2-CYCLOHEXEN-1-YL]-3-METHYL-2,4- HETSYN 3 A8S PENTADIENOIC ACID FORMUL 3 A8S C15 H20 O4 FORMUL 4 HOH *380(H2 O) HELIX 1 1 THR A 6 HIS A 21 1 16 HELIX 2 2 PRO A 41 ARG A 50 1 10 HELIX 3 3 LYS A 54 TYR A 58 1 5 HELIX 4 4 HIS A 115 ASN A 119 1 5 HELIX 5 5 THR A 156 ARG A 180 1 25 HELIX 6 6 THR B 6 HIS B 21 1 16 HELIX 7 7 PRO B 41 ARG B 50 1 10 HELIX 8 8 LYS B 54 TYR B 58 1 5 HELIX 9 9 SER B 152 ASP B 184 1 33 SHEET 1 1 1 SER A 29 ILE A 38 0 SHEET 2 2 1 ILE A 62 SER A 66 0 SHEET 3 3 1 THR A 78 VAL A 83 0 SHEET 4 4 1 ASN A 90 ASP A 100 0 SHEET 5 5 1 VAL A 105 GLY A 113 0 SHEET 6 6 1 LYS A 121 LYS A 131 0 SHEET 7 7 1 ARG A 134 ASP A 146 0 SHEET 8 8 1 SER B 29 ILE B 38 0 SHEET 9 9 1 ILE B 62 VAL B 67 0 SHEET 10 10 1 THR B 78 VAL B 83 0 SHEET 11 11 1 THR B 91 ASP B 100 0 SHEET 12 12 1 VAL B 105 GLY B 112 0 SHEET 13 13 1 LYS B 121 LYS B 131 0 SHEET 14 14 1 ARG B 134 ASP B 146 0 CISPEP 1 LEU A 87 PRO A 88 0 8.59 CISPEP 2 PRO B 2 SER B 3 0 9.69 SITE 1 AC1 16 LYS B 59 VAL B 83 PRO B 88 ALA B 89 SITE 2 AC1 16 SER B 92 PHE B 108 ILE B 110 LEU B 117 SITE 3 AC1 16 TYR B 120 PHE B 159 VAL B 163 HOH B 200 SITE 4 AC1 16 HOH B 214 HOH B 220 HOH B 221 HOH B 297 CRYST1 50.208 61.407 82.844 90.00 98.97 90.00 P 1 2 1 4 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 0.019917 0.000000 0.003142 0.00000 SCALE2 0.000000 0.016285 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012220 0.00000 TER 1530 GLY A 183 ATOM 1531 N PRO B 2 16.055 30.830 16.794 1.00 68.11 N ATOM 1532 CA PRO B 2 17.098 31.028 15.777 1.00130.65 C ATOM 1533 C PRO B 2 18.406 31.741 16.237 1.00 47.40 C ATOM 1534 O PRO B 2 19.446 31.076 16.248 1.00 45.05 O ATOM 1535 CB PRO B 2 16.368 31.769 14.636 1.00 90.74 C ATOM 1536 CG PRO B 2 14.918 31.532 14.884 1.00112.74 C ATOM 1537 CD PRO B 2 14.749 31.362 16.364 1.00 79.86 C ATOM 1538 N SER B 3 18.400 33.014 16.672 1.00128.55 N ATOM 1539 CA SER B 3 17.228 33.855 16.976 1.00154.44 C ATOM 1540 C SER B 3 16.609 34.520 15.746 1.00161.55 C ATOM 1541 O SER B 3 15.390 34.699 15.682 1.00173.65 O ATOM 1542 CB SER B 3 17.592 34.918 18.019 1.00137.70 C ATOM 1543 OG SER B 3 18.764 35.626 17.649 1.00 86.74 O ATOM 1544 N GLU B 4 17.462 34.883 14.789 1.00140.61 N ATOM 1545 CA GLU B 4 17.061 35.324 13.450 1.00139.31 C ATOM 1546 C GLU B 4 18.297 35.469 12.580 1.00117.12 C ATOM 1547 O GLU B 4 19.334 35.939 13.055 1.00 94.11 O ATOM 1548 CB GLU B 4 16.308 36.656 13.487 1.00166.08 C ATOM 1549 CG GLU B 4 14.806 36.522 13.300 1.00175.74 C ATOM 1550 CD GLU B 4 14.139 37.832 12.936 1.00148.44 C ATOM 1551 OE1 GLU B 4 13.330 37.830 11.986 1.00148.72 O ATOM 1552 OE2 GLU B 4 14.425 38.859 13.591 1.00157.47 O ATOM 1553 N LEU B 5 18.183 35.068 11.312 1.00 88.28 N ATOM 1554 CA LEU B 5 19.275 35.226 10.347 1.00 68.05 C ATOM 1555 C LEU B 5 19.625 36.700 10.172 1.00 58.24 C ATOM 1556 O LEU B 5 18.745 37.528 9.917 1.00100.96 O ATOM 1557 CB LEU B 5 18.919 34.621 8.978 1.00 51.55 C ATOM 1558 CG LEU B 5 18.708 33.096 8.875 1.00 57.41 C ATOM 1559 CD1 LEU B 5 18.420 32.689 7.431 1.00 67.85 C ATOM 1560 CD2 LEU B 5 19.885 32.314 9.434 1.00 48.86 C ATOM 1561 N THR B 6 20.909 37.013 10.322 1.00 85.31 N ATOM 1562 CA THR B 6 21.424 38.326 9.955 1.00 67.59 C ATOM 1563 C THR B 6 21.359 38.461 8.429 1.00 65.95 C ATOM 1564 O THR B 6 21.359 37.451 7.717 1.00 77.76 O ATOM 1565 CB THR B 6 22.883 38.535 10.423 1.00 62.64 C ATOM 1566 OG1 THR B 6 23.766 37.723 9.637 1.00 68.71 O ATOM 1567 CG2 THR B 6 23.049 38.210 11.916 1.00 69.83 C ATOM 1568 N PRO B 7 21.268 39.707 7.924 1.00110.12 N ATOM 1569 CA PRO B 7 21.387 40.016 6.497 1.00 74.21 C ATOM 1570 C PRO B 7 22.530 39.276 5.792 1.00 50.80 C ATOM 1571 O PRO B 7 22.329 38.736 4.698 1.00 73.20 O ATOM 1572 CB PRO B 7 21.647 41.534 6.489 1.00151.60 C ATOM 1573 CG PRO B 7 21.738 41.949 7.964 1.00 67.04 C ATOM 1574 CD PRO B 7 20.993 40.922 8.709 1.00 96.76 C ATOM 1575 N GLU B 8 23.711 39.262 6.415 1.00 56.01 N ATOM 1576 CA GLU B 8 24.878 38.522 5.916 1.00 66.46 C ATOM 1577 C GLU B 8 24.559 37.031 5.751 1.00113.96 C ATOM 1578 O GLU B 8 24.666 36.482 4.646 1.00 69.10 O ATOM 1579 CB GLU B 8 26.071 38.698 6.873 1.00 80.97 C ATOM 1580 CG GLU B 8 27.300 37.816 6.575 1.00111.24 C ATOM 1581 CD GLU B 8 28.151 37.523 7.815 1.00139.69 C ATOM 1582 OE1 GLU B 8 27.871 38.088 8.895 1.00173.28 O ATOM 1583 OE2 GLU B 8 29.106 36.719 7.709 1.00104.31 O ATOM 1584 N GLU B 9 24.169 36.393 6.858 1.00 90.61 N ATOM 1585 CA GLU B 9 23.792 34.976 6.871 1.00 59.82 C ATOM 1586 C GLU B 9 22.785 34.668 5.771 1.00 55.29 C ATOM 1587 O GLU B 9 23.027 33.786 4.941 1.00 59.49 O ATOM 1588 CB GLU B 9 23.260 34.565 8.247 1.00 55.80 C ATOM 1589 CG GLU B 9 24.355 34.449 9.324 1.00 44.46 C ATOM 1590 CD GLU B 9 23.791 34.442 10.738 1.00 45.64 C ATOM 1591 OE1 GLU B 9 22.600 34.824 10.912 1.00 48.60 O ATOM 1592 OE2 GLU B 9 24.535 34.071 11.678 1.00 48.68 O ATOM 1593 N ARG B 10 21.687 35.428 5.753 1.00 46.89 N ATOM 1594 CA ARG B 10 20.663 35.384 4.692 1.00 51.74 C ATOM 1595 C ARG B 10 21.224 35.250 3.285 1.00 75.49 C ATOM 1596 O ARG B 10 20.829 34.353 2.541 1.00 77.11 O ATOM 1597 CB ARG B 10 19.791 36.642 4.748 1.00 79.71 C ATOM 1598 CG ARG B 10 18.678 36.604 5.766 1.00 63.31 C ATOM 1599 CD ARG B 10 17.516 37.494 5.328 1.00 71.11 C ATOM 1600 NE ARG B 10 16.229 36.846 5.586 1.00195.82 N ATOM 1601 CZ ARG B 10 15.659 35.944 4.786 1.00192.64 C ATOM 1602 NH1 ARG B 10 16.253 35.567 3.660 1.00184.07 N ATOM 1603 NH2 ARG B 10 14.490 35.414 5.114 1.00 81.07 N ATOM 1604 N SER B 11 22.133 36.155 2.922 1.00 71.54 N ATOM 1605 CA SER B 11 22.678 36.197 1.564 1.00 58.15 C ATOM 1606 C SER B 11 23.581 35.009 1.293 1.00 50.92 C ATOM 1607 O SER B 11 23.530 34.410 0.217 1.00 63.94 O ATOM 1608 CB SER B 11 23.452 37.498 1.328 1.00115.36 C ATOM 1609 OG SER B 11 22.574 38.597 1.169 1.00115.57 O ATOM 1610 N GLU B 12 24.410 34.668 2.273 1.00 52.65 N ATOM 1611 CA GLU B 12 25.263 33.500 2.141 1.00 49.38 C ATOM 1612 C GLU B 12 24.461 32.199 1.997 1.00 49.08 C ATOM 1613 O GLU B 12 24.956 31.243 1.412 1.00 59.31 O ATOM 1614 CB GLU B 12 26.228 33.386 3.322 1.00 51.05 C ATOM 1615 CG GLU B 12 27.461 34.271 3.227 1.00122.52 C ATOM 1616 CD GLU B 12 28.559 33.834 4.182 1.00191.59 C ATOM 1617 OE1 GLU B 12 29.035 32.681 4.067 1.00151.11 O ATOM 1618 OE2 GLU B 12 28.950 34.648 5.047 1.00104.66 O ATOM 1619 N LEU B 13 23.243 32.172 2.542 1.00 53.82 N ATOM 1620 CA LEU B 13 22.416 30.954 2.528 1.00 82.83 C ATOM 1621 C LEU B 13 21.446 30.869 1.348 1.00 75.75 C ATOM 1622 O LEU B 13 20.804 29.832 1.132 1.00 49.65 O ATOM 1623 CB LEU B 13 21.689 30.761 3.878 1.00 50.43 C ATOM 1624 CG LEU B 13 22.625 30.480 5.074 1.00 47.16 C ATOM 1625 CD1 LEU B 13 21.863 30.237 6.380 1.00 45.42 C ATOM 1626 CD2 LEU B 13 23.598 29.322 4.810 1.00 53.71 C ATOM 1627 N LYS B 14 21.372 31.941 0.561 1.00 64.43 N ATOM 1628 CA LYS B 14 20.442 32.024 -0.575 1.00 75.79 C ATOM 1629 C LYS B 14 20.452 30.779 -1.490 1.00 51.79 C ATOM 1630 O LYS B 14 19.398 30.309 -1.911 1.00 49.88 O ATOM 1631 CB LYS B 14 20.693 33.306 -1.391 1.00 93.68 C ATOM 1632 CG LYS B 14 21.673 33.135 -2.556 1.00 76.21 C ATOM 1633 CD LYS B 14 22.301 34.447 -2.988 1.00173.11 C ATOM 1634 CE LYS B 14 23.354 34.207 -4.062 1.00101.90 C ATOM 1635 NZ LYS B 14 24.186 35.415 -4.313 1.00122.06 N ATOM 1636 N ASN B 15 21.641 30.267 -1.806 1.00 54.44 N ATOM 1637 CA ASN B 15 21.779 29.121 -2.705 1.00 53.18 C ATOM 1638 C ASN B 15 21.274 27.810 -2.085 1.00100.60 C ATOM 1639 O ASN B 15 20.599 27.007 -2.743 1.00 55.68 O ATOM 1640 CB ASN B 15 23.243 28.962 -3.126 1.00 60.23 C ATOM 1641 CG ASN B 15 23.695 30.051 -4.080 1.00170.57 C ATOM 1642 OD1 ASN B 15 22.879 30.670 -4.771 1.00 62.83 O ATOM 1643 ND2 ASN B 15 25.003 30.288 -4.127 1.00 80.15 N ATOM 1644 N SER B 16 21.617 27.605 -0.815 1.00 52.18 N ATOM 1645 CA SER B 16 21.175 26.440 -0.062 1.00 45.74 C ATOM 1646 C SER B 16 19.677 26.461 0.080 1.00 42.34 C ATOM 1647 O SER B 16 19.012 25.453 -0.191 1.00 43.48 O ATOM 1648 CB SER B 16 21.846 26.413 1.300 1.00 52.68 C ATOM 1649 OG SER B 16 23.230 26.199 1.136 1.00 64.71 O ATOM 1650 N ILE B 17 19.142 27.624 0.436 1.00 43.55 N ATOM 1651 CA ILE B 17 17.706 27.823 0.526 1.00 36.05 C ATOM 1652 C ILE B 17 16.982 27.494 -0.771 1.00 53.48 C ATOM 1653 O ILE B 17 15.933 26.847 -0.762 1.00 53.40 O ATOM 1654 CB ILE B 17 17.338 29.217 1.074 1.00 53.33 C ATOM 1655 CG1 ILE B 17 17.808 29.335 2.541 1.00 47.92 C ATOM 1656 CG2 ILE B 17 15.856 29.454 0.930 1.00 44.94 C ATOM 1657 CD1 ILE B 17 17.272 30.499 3.315 1.00 53.49 C ATOM 1658 N ALA B 18 17.564 27.912 -1.889 1.00 69.29 N ATOM 1659 CA ALA B 18 17.032 27.607 -3.211 1.00 55.56 C ATOM 1660 C ALA B 18 17.051 26.103 -3.497 1.00 46.51 C ATOM 1661 O ALA B 18 16.052 25.527 -3.962 1.00 49.32 O ATOM 1662 CB ALA B 18 17.836 28.365 -4.291 1.00 46.57 C ATOM 1663 N GLU B 19 18.197 25.477 -3.230 1.00 42.93 N ATOM 1664 CA GLU B 19 18.411 24.080 -3.568 1.00 41.25 C ATOM 1665 C GLU B 19 17.612 23.129 -2.676 1.00 51.97 C ATOM 1666 O GLU B 19 17.002 22.198 -3.172 1.00 43.47 O ATOM 1667 CB GLU B 19 19.900 23.740 -3.518 1.00 44.52 C ATOM 1668 CG GLU B 19 20.202 22.314 -4.010 1.00 59.65 C ATOM 1669 CD GLU B 19 21.689 22.003 -4.127 1.00 55.37 C ATOM 1670 OE1 GLU B 19 22.524 22.893 -3.832 1.00 87.69 O ATOM 1671 OE2 GLU B 19 22.019 20.852 -4.512 1.00 65.79 O ATOM 1672 N PHE B 20 17.592 23.387 -1.369 1.00 51.73 N ATOM 1673 CA PHE B 20 17.022 22.417 -0.414 1.00 45.29 C ATOM 1674 C PHE B 20 15.749 22.797 0.332 1.00 43.58 C ATOM 1675 O PHE B 20 15.010 21.926 0.782 1.00 49.95 O ATOM 1676 CB PHE B 20 18.098 22.042 0.598 1.00 45.61 C ATOM 1677 CG PHE B 20 19.298 21.384 -0.015 1.00 39.73 C ATOM 1678 CD1 PHE B 20 19.203 20.096 -0.540 1.00 46.22 C ATOM 1679 CD2 PHE B 20 20.529 22.035 -0.042 1.00 43.39 C ATOM 1680 CE1 PHE B 20 20.320 19.473 -1.099 1.00 46.13 C ATOM 1681 CE2 PHE B 20 21.650 21.418 -0.585 1.00 57.93 C ATOM 1682 CZ PHE B 20 21.541 20.145 -1.123 1.00 42.73 C ATOM 1683 N HIS B 21 15.484 24.086 0.460 1.00 34.86 N ATOM 1684 CA HIS B 21 14.471 24.554 1.381 1.00 41.39 C ATOM 1685 C HIS B 21 13.333 25.345 0.699 1.00 51.90 C ATOM 1686 O HIS B 21 12.647 26.117 1.347 1.00 44.66 O ATOM 1687 CB HIS B 21 15.170 25.358 2.502 1.00 31.72 C ATOM 1688 CG HIS B 21 16.228 24.569 3.238 1.00 33.10 C ATOM 1689 ND1 HIS B 21 15.916 23.479 4.026 1.00 34.36 N ATOM 1690 CD2 HIS B 21 17.562 24.751 3.357 1.00 46.02 C ATOM 1691 CE1 HIS B 21 17.020 23.002 4.568 1.00 34.84 C ATOM 1692 NE2 HIS B 21 18.036 23.751 4.168 1.00 31.25 N ATOM 1693 N THR B 22 13.119 25.115 -0.596 1.00 50.53 N ATOM 1694 CA THR B 22 12.090 25.830 -1.369 1.00 44.89 C ATOM 1695 C THR B 22 11.075 24.857 -1.966 1.00 42.59 C ATOM 1696 O THR B 22 11.447 23.857 -2.595 1.00 54.89 O ATOM 1697 CB THR B 22 12.737 26.665 -2.500 1.00 48.65 C ATOM 1698 OG1 THR B 22 13.706 27.552 -1.934 1.00 56.35 O ATOM 1699 CG2 THR B 22 11.676 27.506 -3.212 1.00 48.25 C ATOM 1700 N TYR B 23 9.797 25.155 -1.771 1.00 49.41 N ATOM 1701 CA TYR B 23 8.741 24.214 -2.132 1.00 50.38 C ATOM 1702 C TYR B 23 7.743 24.839 -3.085 1.00 56.61 C ATOM 1703 O TYR B 23 7.478 26.039 -2.999 1.00 52.14 O ATOM 1704 CB TYR B 23 8.027 23.704 -0.872 1.00 58.28 C ATOM 1705 CG TYR B 23 8.993 23.033 0.074 1.00 45.03 C ATOM 1706 CD1 TYR B 23 9.290 21.683 -0.059 1.00 52.34 C ATOM 1707 CD2 TYR B 23 9.662 23.771 1.066 1.00 46.02 C ATOM 1708 CE1 TYR B 23 10.203 21.061 0.795 1.00 45.60 C ATOM 1709 CE2 TYR B 23 10.595 23.150 1.926 1.00 40.95 C ATOM 1710 CZ TYR B 23 10.850 21.803 1.780 1.00 37.89 C ATOM 1711 OH TYR B 23 11.779 21.158 2.620 1.00 41.66 O ATOM 1712 N GLN B 24 7.195 24.001 -3.967 1.00 63.57 N ATOM 1713 CA GLN B 24 6.116 24.375 -4.884 1.00 70.21 C ATOM 1714 C GLN B 24 4.794 24.500 -4.128 1.00 59.65 C ATOM 1715 O GLN B 24 4.403 23.586 -3.398 1.00 92.30 O ATOM 1716 CB GLN B 24 5.982 23.335 -6.003 1.00 90.93 C ATOM 1717 CG GLN B 24 7.187 23.234 -6.941 1.00167.00 C ATOM 1718 CD GLN B 24 7.137 24.234 -8.087 1.00222.23 C ATOM 1719 OE1 GLN B 24 7.068 25.446 -7.872 1.00259.85 O ATOM 1720 NE2 GLN B 24 7.185 23.725 -9.314 1.00132.90 N ATOM 1721 N LEU B 25 4.102 25.621 -4.341 1.00129.88 N ATOM 1722 CA LEU B 25 2.898 25.987 -3.574 1.00130.52 C ATOM 1723 C LEU B 25 1.677 25.109 -3.866 1.00117.09 C ATOM 1724 O LEU B 25 0.627 25.598 -4.292 1.00125.92 O ATOM 1725 CB LEU B 25 2.547 27.468 -3.778 1.00 71.03 C ATOM 1726 CG LEU B 25 3.685 28.493 -3.753 1.00164.52 C ATOM 1727 CD1 LEU B 25 4.156 28.823 -5.174 1.00 88.36 C ATOM 1728 CD2 LEU B 25 3.245 29.751 -3.024 1.00 65.35 C ATOM 1729 N ASP B 26 1.834 23.811 -3.613 1.00120.20 N ATOM 1730 CA ASP B 26 0.781 22.814 -3.780 1.00 85.00 C ATOM 1731 C ASP B 26 -0.345 23.039 -2.754 1.00 79.09 C ATOM 1732 O ASP B 26 -0.066 23.262 -1.571 1.00167.78 O ATOM 1733 CB ASP B 26 1.387 21.412 -3.617 1.00 82.76 C ATOM 1734 CG ASP B 26 0.599 20.337 -4.344 1.00141.64 C ATOM 1735 OD1 ASP B 26 1.133 19.774 -5.323 1.00165.37 O ATOM 1736 OD2 ASP B 26 -0.545 20.046 -3.937 1.00157.22 O ATOM 1737 N PRO B 27 -1.619 23.002 -3.205 1.00108.13 N ATOM 1738 CA PRO B 27 -2.748 23.086 -2.271 1.00 76.66 C ATOM 1739 C PRO B 27 -2.914 21.795 -1.473 1.00 95.21 C ATOM 1740 O PRO B 27 -2.658 20.703 -1.996 1.00 79.03 O ATOM 1741 CB PRO B 27 -3.952 23.304 -3.193 1.00124.24 C ATOM 1742 CG PRO B 27 -3.555 22.695 -4.484 1.00 83.62 C ATOM 1743 CD PRO B 27 -2.071 22.902 -4.606 1.00131.90 C ATOM 1744 N GLY B 28 -3.333 21.914 -0.217 1.00 63.49 N ATOM 1745 CA GLY B 28 -3.422 20.737 0.657 1.00122.16 C ATOM 1746 C GLY B 28 -2.086 20.301 1.251 1.00 67.98 C ATOM 1747 O GLY B 28 -2.037 19.358 2.043 1.00 56.95 O ATOM 1748 N SER B 29 -1.011 20.967 0.826 1.00 57.97 N ATOM 1749 CA SER B 29 0.315 20.864 1.437 1.00 48.46 C ATOM 1750 C SER B 29 0.703 22.212 2.026 1.00 89.20 C ATOM 1751 O SER B 29 0.230 23.261 1.580 1.00 52.76 O ATOM 1752 CB SER B 29 1.374 20.443 0.416 1.00 47.47 C ATOM 1753 OG SER B 29 1.090 19.159 -0.097 1.00 84.17 O ATOM 1754 N CYS B 30 1.555 22.171 3.043 1.00 55.16 N ATOM 1755 CA CYS B 30 2.116 23.371 3.643 1.00 52.59 C ATOM 1756 C CYS B 30 3.551 23.068 4.019 1.00 47.99 C ATOM 1757 O CYS B 30 3.932 21.895 4.192 1.00 41.93 O ATOM 1758 CB CYS B 30 1.300 23.830 4.862 1.00 48.34 C ATOM 1759 SG CYS B 30 1.410 22.771 6.330 1.00 67.90 S ATOM 1760 N SER B 31 4.340 24.121 4.122 1.00 42.90 N ATOM 1761 CA SER B 31 5.772 23.991 4.334 1.00 41.20 C ATOM 1762 C SER B 31 6.272 25.108 5.219 1.00 50.95 C ATOM 1763 O SER B 31 5.638 26.164 5.335 1.00 42.29 O ATOM 1764 CB SER B 31 6.545 23.977 3.006 1.00 45.83 C ATOM 1765 OG SER B 31 6.659 25.265 2.421 1.00 71.69 O ATOM 1766 N SER B 32 7.428 24.885 5.830 1.00 31.58 N ATOM 1767 CA SER B 32 7.994 25.870 6.727 1.00 32.65 C ATOM 1768 C SER B 32 9.494 25.718 6.797 1.00 38.09 C ATOM 1769 O SER B 32 9.996 24.624 6.732 1.00 36.56 O ATOM 1770 CB SER B 32 7.362 25.780 8.126 1.00 39.45 C ATOM 1771 OG SER B 32 7.919 26.749 8.974 1.00 60.05 O ATOM 1772 N LEU B 33 10.201 26.831 6.913 1.00 30.46 N ATOM 1773 CA LEU B 33 11.653 26.830 7.087 1.00 33.11 C ATOM 1774 C LEU B 33 12.035 27.480 8.427 1.00 35.97 C ATOM 1775 O LEU B 33 11.544 28.558 8.771 1.00 42.21 O ATOM 1776 CB LEU B 33 12.350 27.537 5.901 1.00 41.19 C ATOM 1777 CG LEU B 33 13.851 27.806 6.035 1.00 34.33 C ATOM 1778 CD1 LEU B 33 14.696 26.537 6.046 1.00 33.82 C ATOM 1779 CD2 LEU B 33 14.293 28.727 4.928 1.00 58.41 C ATOM 1780 N HIS B 34 12.921 26.819 9.169 1.00 34.52 N ATOM 1781 CA HIS B 34 13.454 27.301 10.441 1.00 34.24 C ATOM 1782 C HIS B 34 14.960 27.378 10.383 1.00 33.97 C ATOM 1783 O HIS B 34 15.586 26.637 9.655 1.00 38.71 O ATOM 1784 CB HIS B 34 13.029 26.360 11.583 1.00 33.55 C ATOM 1785 CG HIS B 34 11.571 26.458 11.876 1.00 39.80 C ATOM 1786 ND1 HIS B 34 10.628 25.727 11.194 1.00 41.94 N ATOM 1787 CD2 HIS B 34 10.887 27.242 12.736 1.00 43.56 C ATOM 1788 CE1 HIS B 34 9.425 26.038 11.631 1.00 37.21 C ATOM 1789 NE2 HIS B 34 9.556 26.953 12.574 1.00 46.63 N ATOM 1790 N ALA B 35 15.530 28.281 11.163 1.00 29.12 N ATOM 1791 CA ALA B 35 16.955 28.450 11.239 1.00 36.54 C ATOM 1792 C ALA B 35 17.380 28.474 12.697 1.00 34.82 C ATOM 1793 O ALA B 35 16.627 28.922 13.589 1.00 34.11 O ATOM 1794 CB ALA B 35 17.348 29.755 10.582 1.00 32.94 C ATOM 1795 N GLN B 36 18.600 28.055 12.940 1.00 29.83 N ATOM 1796 CA GLN B 36 19.137 28.026 14.290 1.00 35.39 C ATOM 1797 C GLN B 36 20.626 28.303 14.264 1.00 40.46 C ATOM 1798 O GLN B 36 21.379 27.546 13.645 1.00 35.94 O ATOM 1799 CB GLN B 36 18.868 26.670 14.976 1.00 31.05 C ATOM 1800 CG GLN B 36 19.480 26.536 16.367 1.00 29.53 C ATOM 1801 CD GLN B 36 18.800 27.419 17.411 1.00 34.54 C ATOM 1802 OE1 GLN B 36 17.568 27.412 17.573 1.00 37.86 O ATOM 1803 NE2 GLN B 36 19.602 28.140 18.166 1.00 38.44 N ATOM 1804 N ARG B 37 21.048 29.379 14.947 1.00 29.87 N ATOM 1805 CA ARG B 37 22.459 29.616 15.147 1.00 29.00 C ATOM 1806 C ARG B 37 23.004 28.807 16.299 1.00 35.10 C ATOM 1807 O ARG B 37 22.365 28.683 17.339 1.00 35.73 O ATOM 1808 CB ARG B 37 22.709 31.149 15.351 1.00 34.10 C ATOM 1809 CG ARG B 37 24.211 31.524 15.300 1.00 39.58 C ATOM 1810 CD ARG B 37 24.405 33.064 15.335 1.00 38.15 C ATOM 1811 NE ARG B 37 23.523 33.718 14.378 1.00 47.09 N ATOM 1812 CZ ARG B 37 22.444 34.423 14.703 1.00 46.82 C ATOM 1813 NH1 ARG B 37 22.114 34.601 15.981 1.00 47.92 N ATOM 1814 NH2 ARG B 37 21.687 34.946 13.746 1.00 47.82 N ATOM 1815 N ILE B 38 24.201 28.254 16.111 1.00 30.01 N ATOM 1816 CA ILE B 38 24.836 27.411 17.106 1.00 28.12 C ATOM 1817 C ILE B 38 26.301 27.801 17.265 1.00 41.67 C ATOM 1818 O ILE B 38 27.049 27.785 16.284 1.00 39.48 O ATOM 1819 CB ILE B 38 24.783 25.946 16.707 1.00 31.41 C ATOM 1820 CG1 ILE B 38 23.314 25.509 16.486 1.00 33.43 C ATOM 1821 CG2 ILE B 38 25.485 25.102 17.735 1.00 29.86 C ATOM 1822 CD1 ILE B 38 23.152 23.966 16.195 1.00 31.39 C ATOM 1823 N HIS B 39 26.707 28.107 18.499 1.00 40.08 N ATOM 1824 CA HIS B 39 28.109 28.469 18.779 1.00 40.88 C ATOM 1825 C HIS B 39 28.951 27.215 19.066 1.00 33.37 C ATOM 1826 O HIS B 39 29.382 26.945 20.185 1.00 40.65 O ATOM 1827 CB HIS B 39 28.185 29.632 19.809 1.00 39.80 C ATOM 1828 CG HIS B 39 27.546 30.889 19.286 1.00 43.07 C ATOM 1829 ND1 HIS B 39 26.287 31.305 19.668 1.00 50.13 N ATOM 1830 CD2 HIS B 39 27.948 31.758 18.324 1.00 41.40 C ATOM 1831 CE1 HIS B 39 25.956 32.395 18.994 1.00 49.07 C ATOM 1832 NE2 HIS B 39 26.946 32.688 18.169 1.00 54.35 N ATOM 1833 N ALA B 40 29.145 26.441 17.993 1.00 40.50 N ATOM 1834 CA ALA B 40 29.951 25.228 18.014 1.00 43.66 C ATOM 1835 C ALA B 40 30.451 24.951 16.593 1.00 36.57 C ATOM 1836 O ALA B 40 29.933 25.544 15.628 1.00 33.74 O ATOM 1837 CB ALA B 40 29.148 24.017 18.591 1.00 46.51 C ATOM 1838 N PRO B 41 31.472 24.074 16.451 1.00 35.48 N ATOM 1839 CA PRO B 41 32.060 23.798 15.127 1.00 36.36 C ATOM 1840 C PRO B 41 31.046 23.025 14.253 1.00 40.84 C ATOM 1841 O PRO B 41 30.375 22.102 14.774 1.00 36.73 O ATOM 1842 CB PRO B 41 33.288 22.933 15.447 1.00 47.22 C ATOM 1843 CG PRO B 41 33.469 22.999 16.958 1.00 46.91 C ATOM 1844 CD PRO B 41 32.098 23.256 17.514 1.00 41.50 C ATOM 1845 N PRO B 42 30.895 23.410 12.971 1.00 41.10 N ATOM 1846 CA PRO B 42 29.963 22.694 12.093 1.00 39.87 C ATOM 1847 C PRO B 42 30.202 21.216 11.983 1.00 39.40 C ATOM 1848 O PRO B 42 29.230 20.512 11.723 1.00 35.86 O ATOM 1849 CB PRO B 42 30.153 23.343 10.715 1.00 46.91 C ATOM 1850 CG PRO B 42 31.387 24.173 10.836 1.00 52.56 C ATOM 1851 CD PRO B 42 31.527 24.545 12.270 1.00 46.26 C ATOM 1852 N GLU B 43 31.448 20.737 12.128 1.00 36.02 N ATOM 1853 CA GLU B 43 31.674 19.284 12.101 1.00 47.89 C ATOM 1854 C GLU B 43 30.995 18.619 13.262 1.00 51.71 C ATOM 1855 O GLU B 43 30.447 17.537 13.110 1.00 37.50 O ATOM 1856 CB GLU B 43 33.158 18.856 12.065 1.00 42.18 C ATOM 1857 CG GLU B 43 34.175 19.827 12.613 1.00122.85 C ATOM 1858 CD GLU B 43 34.412 20.994 11.684 1.00220.00 C ATOM 1859 OE1 GLU B 43 34.988 20.818 10.585 1.00 95.69 O ATOM 1860 OE2 GLU B 43 34.001 22.097 12.062 1.00 42.07 O ATOM 1861 N LEU B 44 31.027 19.265 14.426 1.00 38.56 N ATOM 1862 CA LEU B 44 30.389 18.706 15.598 1.00 34.92 C ATOM 1863 C LEU B 44 28.867 18.674 15.429 1.00 29.54 C ATOM 1864 O LEU B 44 28.232 17.672 15.767 1.00 36.87 O ATOM 1865 CB LEU B 44 30.737 19.535 16.832 1.00 40.08 C ATOM 1866 CG LEU B 44 30.043 19.128 18.125 1.00 35.89 C ATOM 1867 CD1 LEU B 44 30.508 17.729 18.569 1.00 38.40 C ATOM 1868 CD2 LEU B 44 30.377 20.132 19.210 1.00 51.53 C ATOM 1869 N VAL B 45 28.303 19.776 14.944 1.00 29.81 N ATOM 1870 CA VAL B 45 26.852 19.836 14.725 1.00 31.86 C ATOM 1871 C VAL B 45 26.465 18.743 13.727 1.00 32.23 C ATOM 1872 O VAL B 45 25.510 17.975 13.942 1.00 29.72 O ATOM 1873 CB VAL B 45 26.412 21.212 14.220 1.00 29.90 C ATOM 1874 CG1 VAL B 45 24.905 21.281 14.035 1.00 27.37 C ATOM 1875 CG2 VAL B 45 26.817 22.290 15.258 1.00 38.76 C ATOM 1876 N TRP B 46 27.204 18.655 12.629 1.00 30.86 N ATOM 1877 CA TRP B 46 26.926 17.598 11.655 1.00 31.86 C ATOM 1878 C TRP B 46 27.010 16.194 12.212 1.00 39.42 C ATOM 1879 O TRP B 46 26.153 15.350 11.892 1.00 33.27 O ATOM 1880 CB TRP B 46 27.824 17.753 10.423 1.00 35.81 C ATOM 1881 CG TRP B 46 27.617 16.654 9.384 1.00 33.04 C ATOM 1882 CD1 TRP B 46 28.525 15.695 9.020 1.00 37.89 C ATOM 1883 CD2 TRP B 46 26.401 16.349 8.658 1.00 31.58 C ATOM 1884 NE1 TRP B 46 27.960 14.830 8.104 1.00 31.48 N ATOM 1885 CE2 TRP B 46 26.675 15.223 7.842 1.00 36.06 C ATOM 1886 CE3 TRP B 46 25.128 16.926 8.607 1.00 34.26 C ATOM 1887 CZ2 TRP B 46 25.721 14.664 6.980 1.00 35.15 C ATOM 1888 CZ3 TRP B 46 24.166 16.363 7.734 1.00 32.76 C ATOM 1889 CH2 TRP B 46 24.475 15.237 6.953 1.00 33.52 C ATOM 1890 N SER B 47 28.010 15.926 13.055 1.00 27.43 N ATOM 1891 CA SER B 47 28.169 14.612 13.661 1.00 32.08 C ATOM 1892 C SER B 47 26.966 14.157 14.489 1.00 39.81 C ATOM 1893 O SER B 47 26.727 12.976 14.601 1.00 35.11 O ATOM 1894 CB SER B 47 29.430 14.514 14.524 1.00 36.19 C ATOM 1895 OG SER B 47 29.264 15.158 15.785 1.00 38.67 O ATOM 1896 N ILE B 48 26.227 15.106 15.055 1.00 38.80 N ATOM 1897 CA ILE B 48 24.992 14.818 15.794 1.00 30.05 C ATOM 1898 C ILE B 48 23.792 14.598 14.835 1.00 28.26 C ATOM 1899 O ILE B 48 23.051 13.613 14.939 1.00 35.40 O ATOM 1900 CB ILE B 48 24.683 15.983 16.765 1.00 27.60 C ATOM 1901 CG1 ILE B 48 25.837 16.182 17.751 1.00 32.76 C ATOM 1902 CG2 ILE B 48 23.327 15.728 17.537 1.00 29.68 C ATOM 1903 CD1 ILE B 48 25.717 17.471 18.594 1.00 36.84 C ATOM 1904 N VAL B 49 23.607 15.554 13.926 1.00 26.48 N ATOM 1905 CA VAL B 49 22.425 15.623 13.029 1.00 26.34 C ATOM 1906 C VAL B 49 22.426 14.488 12.006 1.00 28.28 C ATOM 1907 O VAL B 49 21.366 14.106 11.489 1.00 31.59 O ATOM 1908 CB VAL B 49 22.508 16.993 12.290 1.00 34.31 C ATOM 1909 CG1 VAL B 49 21.837 17.022 10.945 1.00 46.91 C ATOM 1910 CG2 VAL B 49 21.970 18.091 13.196 1.00 42.91 C ATOM 1911 N ARG B 50 23.616 13.958 11.680 1.00 28.96 N ATOM 1912 CA ARG B 50 23.721 12.874 10.649 1.00 27.96 C ATOM 1913 C ARG B 50 23.396 11.485 11.236 1.00 29.01 C ATOM 1914 O ARG B 50 23.256 10.505 10.479 1.00 33.78 O ATOM 1915 CB ARG B 50 25.145 12.793 10.090 1.00 32.74 C ATOM 1916 CG ARG B 50 26.150 12.210 11.071 1.00 30.66 C ATOM 1917 CD ARG B 50 27.556 12.199 10.456 1.00 42.57 C ATOM 1918 NE ARG B 50 27.644 11.308 9.293 1.00 40.00 N ATOM 1919 CZ ARG B 50 27.782 9.989 9.384 1.00 41.06 C ATOM 1920 NH1 ARG B 50 27.850 9.407 10.576 1.00 39.14 N ATOM 1921 NH2 ARG B 50 27.853 9.252 8.287 1.00 41.49 N ATOM 1922 N ARG B 51 23.298 11.390 12.551 1.00 30.48 N ATOM 1923 CA ARG B 51 23.063 10.103 13.224 1.00 33.95 C ATOM 1924 C ARG B 51 21.590 9.716 13.202 1.00 26.52 C ATOM 1925 O ARG B 51 20.857 9.939 14.162 1.00 29.28 O ATOM 1926 CB ARG B 51 23.570 10.071 14.674 1.00 40.18 C ATOM 1927 CG ARG B 51 25.065 9.923 14.830 1.00 52.33 C ATOM 1928 CD ARG B 51 25.590 8.607 14.233 1.00124.37 C ATOM 1929 NE ARG B 51 25.014 7.405 14.846 1.00 50.49 N ATOM 1930 CZ ARG B 51 25.482 6.801 15.939 1.00200.65 C ATOM 1931 NH1 ARG B 51 26.546 7.275 16.578 1.00 64.93 N ATOM 1932 NH2 ARG B 51 24.880 5.711 16.399 1.00 64.15 N ATOM 1933 N PHE B 52 21.222 9.010 12.140 1.00 29.24 N ATOM 1934 CA PHE B 52 19.817 8.731 11.828 1.00 29.96 C ATOM 1935 C PHE B 52 19.261 7.799 12.864 1.00 32.38 C ATOM 1936 O PHE B 52 18.107 7.847 13.172 1.00 28.33 O ATOM 1937 CB PHE B 52 19.694 8.129 10.411 1.00 28.66 C ATOM 1938 CG PHE B 52 18.279 7.848 9.988 1.00 27.39 C ATOM 1939 CD1 PHE B 52 17.422 8.913 9.689 1.00 28.24 C ATOM 1940 CD2 PHE B 52 17.811 6.529 9.887 1.00 31.47 C ATOM 1941 CE1 PHE B 52 16.105 8.671 9.287 1.00 32.33 C ATOM 1942 CE2 PHE B 52 16.506 6.292 9.517 1.00 30.72 C ATOM 1943 CZ PHE B 52 15.660 7.372 9.180 1.00 28.41 C ATOM 1944 N ASP B 53 20.112 6.977 13.436 1.00 25.98 N ATOM 1945 CA ASP B 53 19.638 6.018 14.444 1.00 32.25 C ATOM 1946 C ASP B 53 19.530 6.582 15.862 1.00 35.63 C ATOM 1947 O ASP B 53 19.047 5.895 16.751 1.00 34.74 O ATOM 1948 CB ASP B 53 20.534 4.775 14.474 1.00 39.70 C ATOM 1949 CG ASP B 53 22.011 5.112 14.678 1.00 44.89 C ATOM 1950 OD1 ASP B 53 22.519 6.119 14.133 1.00 46.30 O ATOM 1951 OD2 ASP B 53 22.666 4.332 15.392 1.00 46.39 O ATOM 1952 N LYS B 54 19.937 7.834 16.076 1.00 30.21 N ATOM 1953 CA LYS B 54 19.862 8.448 17.414 1.00 31.42 C ATOM 1954 C LYS B 54 19.225 9.841 17.380 1.00 33.41 C ATOM 1955 O LYS B 54 19.868 10.825 17.790 1.00 33.51 O ATOM 1956 CB LYS B 54 21.277 8.592 17.989 1.00 39.85 C ATOM 1957 CG LYS B 54 21.962 7.284 18.121 1.00 33.98 C ATOM 1958 CD LYS B 54 21.305 6.442 19.199 1.00 54.23 C ATOM 1959 CE LYS B 54 22.126 5.199 19.499 1.00 81.80 C ATOM 1960 NZ LYS B 54 21.383 4.272 20.396 1.00 87.91 N ATOM 1961 N PRO B 55 17.964 9.926 16.929 1.00 30.78 N ATOM 1962 CA PRO B 55 17.346 11.251 16.884 1.00 34.30 C ATOM 1963 C PRO B 55 17.161 11.829 18.293 1.00 34.41 C ATOM 1964 O PRO B 55 17.080 13.051 18.444 1.00 28.38 O ATOM 1965 CB PRO B 55 15.997 10.995 16.191 1.00 30.83 C ATOM 1966 CG PRO B 55 15.686 9.517 16.493 1.00 33.77 C ATOM 1967 CD PRO B 55 17.044 8.861 16.473 1.00 28.01 C ATOM 1968 N GLN B 56 17.056 10.955 19.306 1.00 29.12 N ATOM 1969 CA GLN B 56 16.794 11.378 20.707 1.00 29.05 C ATOM 1970 C GLN B 56 17.933 12.220 21.318 1.00 32.59 C ATOM 1971 O GLN B 56 17.720 12.931 22.288 1.00 34.42 O ATOM 1972 CB GLN B 56 16.495 10.190 21.621 1.00 31.49 C ATOM 1973 CG GLN B 56 17.667 9.220 21.764 1.00 34.96 C ATOM 1974 CD GLN B 56 17.644 8.086 20.742 1.00 44.78 C ATOM 1975 OE1 GLN B 56 17.205 8.241 19.620 1.00 34.78 O ATOM 1976 NE2 GLN B 56 18.155 6.948 21.139 1.00 42.16 N ATOM 1977 N THR B 57 19.117 12.168 20.713 1.00 29.40 N ATOM 1978 CA THR B 57 20.248 12.987 21.155 1.00 28.99 C ATOM 1979 C THR B 57 19.952 14.463 21.006 1.00 29.89 C ATOM 1980 O THR B 57 20.444 15.288 21.779 1.00 35.80 O ATOM 1981 CB THR B 57 21.471 12.664 20.307 1.00 37.39 C ATOM 1982 OG1 THR B 57 21.871 11.318 20.595 1.00 42.08 O ATOM 1983 CG2 THR B 57 22.629 13.604 20.628 1.00 38.81 C ATOM 1984 N TYR B 58 19.167 14.810 20.005 1.00 27.76 N ATOM 1985 CA TYR B 58 18.891 16.241 19.732 1.00 32.00 C ATOM 1986 C TYR B 58 17.414 16.577 19.626 1.00 39.53 C ATOM 1987 O TYR B 58 17.086 17.726 19.472 1.00 36.19 O ATOM 1988 CB TYR B 58 19.667 16.756 18.506 1.00 38.36 C ATOM 1989 CG TYR B 58 19.312 16.075 17.180 1.00 28.18 C ATOM 1990 CD1 TYR B 58 18.398 16.661 16.293 1.00 45.94 C ATOM 1991 CD2 TYR B 58 19.886 14.874 16.830 1.00 36.05 C ATOM 1992 CE1 TYR B 58 18.076 16.027 15.080 1.00 33.79 C ATOM 1993 CE2 TYR B 58 19.553 14.224 15.647 1.00 37.52 C ATOM 1994 CZ TYR B 58 18.652 14.812 14.782 1.00 45.38 C ATOM 1995 OH TYR B 58 18.337 14.167 13.617 1.00 43.29 O ATOM 1996 N LYS B 59 16.519 15.588 19.733 1.00 27.02 N ATOM 1997 CA LYS B 59 15.089 15.859 19.626 1.00 25.67 C ATOM 1998 C LYS B 59 14.431 15.634 20.951 1.00 29.35 C ATOM 1999 O LYS B 59 14.849 14.763 21.715 1.00 33.30 O ATOM 2000 CB LYS B 59 14.460 14.957 18.564 1.00 25.44 C ATOM 2001 CG LYS B 59 15.039 15.237 17.145 1.00 26.68 C ATOM 2002 CD LYS B 59 14.169 14.485 16.150 1.00 32.36 C ATOM 2003 CE LYS B 59 14.653 14.767 14.732 1.00 42.44 C ATOM 2004 NZ LYS B 59 13.748 14.130 13.703 1.00 33.34 N ATOM 2005 N HIS B 60 13.410 16.434 21.241 1.00 27.84 N ATOM 2006 CA HIS B 60 12.560 16.230 22.410 1.00 29.99 C ATOM 2007 C HIS B 60 11.515 15.132 22.117 1.00 32.52 C ATOM 2008 O HIS B 60 11.325 14.758 20.978 1.00 32.42 O ATOM 2009 CB HIS B 60 11.798 17.535 22.682 1.00 49.85 C ATOM 2010 CG HIS B 60 12.650 18.657 23.192 1.00 29.89 C ATOM 2011 ND1 HIS B 60 13.094 18.698 24.493 1.00 34.15 N ATOM 2012 CD2 HIS B 60 13.100 19.794 22.603 1.00 33.34 C ATOM 2013 CE1 HIS B 60 13.791 19.802 24.686 1.00 34.13 C ATOM 2014 NE2 HIS B 60 13.770 20.499 23.569 1.00 29.54 N ATOM 2015 N PHE B 61 10.853 14.641 23.167 1.00 29.57 N ATOM 2016 CA PHE B 61 9.599 13.827 23.023 1.00 28.19 C ATOM 2017 C PHE B 61 9.850 12.388 22.583 1.00 34.73 C ATOM 2018 O PHE B 61 8.900 11.615 22.401 1.00 37.80 O ATOM 2019 CB PHE B 61 8.614 14.495 22.057 1.00 29.31 C ATOM 2020 CG PHE B 61 8.339 15.952 22.383 1.00 25.79 C ATOM 2021 CD1 PHE B 61 7.949 16.314 23.672 1.00 26.97 C ATOM 2022 CD2 PHE B 61 8.483 16.940 21.403 1.00 31.99 C ATOM 2023 CE1 PHE B 61 7.720 17.651 24.017 1.00 33.85 C ATOM 2024 CE2 PHE B 61 8.221 18.305 21.725 1.00 32.40 C ATOM 2025 CZ PHE B 61 7.850 18.640 23.029 1.00 28.27 C ATOM 2026 N ILE B 62 11.115 12.009 22.446 1.00 32.97 N ATOM 2027 CA ILE B 62 11.439 10.638 22.030 1.00 27.41 C ATOM 2028 C ILE B 62 11.736 9.760 23.225 1.00 37.33 C ATOM 2029 O ILE B 62 12.645 10.040 24.020 1.00 38.27 O ATOM 2030 CB ILE B 62 12.574 10.627 20.992 1.00 28.21 C ATOM 2031 CG1 ILE B 62 12.052 11.350 19.723 1.00 27.39 C ATOM 2032 CG2 ILE B 62 12.943 9.219 20.614 1.00 33.68 C ATOM 2033 CD1 ILE B 62 13.102 11.527 18.617 1.00 33.37 C ATOM 2034 N LYS B 63 10.912 8.731 23.378 1.00 31.17 N ATOM 2035 CA LYS B 63 11.125 7.711 24.427 1.00 32.04 C ATOM 2036 C LYS B 63 12.286 6.765 24.038 1.00 38.45 C ATOM 2037 O LYS B 63 13.190 6.471 24.854 1.00 39.86 O ATOM 2038 CB LYS B 63 9.826 6.937 24.671 1.00 33.99 C ATOM 2039 CG LYS B 63 9.979 5.709 25.625 1.00 39.40 C ATOM 2040 CD LYS B 63 8.616 4.994 25.747 1.00 39.51 C ATOM 2041 CE LYS B 63 8.557 3.951 26.896 1.00 50.90 C ATOM 2042 NZ LYS B 63 9.556 2.832 26.820 1.00 42.67 N ATOM 2043 N SER B 64 12.241 6.267 22.801 1.00 31.73 N ATOM 2044 CA SER B 64 13.268 5.373 22.265 1.00 39.90 C ATOM 2045 C SER B 64 13.219 5.361 20.743 1.00 35.38 C ATOM 2046 O SER B 64 12.265 5.850 20.153 1.00 29.27 O ATOM 2047 CB SER B 64 13.104 3.927 22.782 1.00 38.87 C ATOM 2048 OG SER B 64 11.827 3.332 22.453 1.00 34.34 O ATOM 2049 N CYS B 65 14.248 4.772 20.136 1.00 32.40 N ATOM 2050 CA CYS B 65 14.305 4.584 18.697 1.00 31.66 C ATOM 2051 C CYS B 65 15.023 3.265 18.414 1.00 39.33 C ATOM 2052 O CYS B 65 15.997 2.939 19.096 1.00 40.18 O ATOM 2053 CB CYS B 65 15.077 5.751 18.077 1.00 36.35 C ATOM 2054 SG CYS B 65 14.991 5.723 16.293 1.00 34.38 S ATOM 2055 N SER B 66 14.522 2.488 17.453 1.00 34.19 N ATOM 2056 CA SER B 66 15.193 1.253 17.055 1.00 38.16 C ATOM 2057 C SER B 66 15.346 1.243 15.560 1.00 43.94 C ATOM 2058 O SER B 66 14.602 1.911 14.837 1.00 33.43 O ATOM 2059 CB SER B 66 14.430 0.018 17.558 1.00 40.09 C ATOM 2060 OG SER B 66 13.222 -0.173 16.840 1.00 37.87 O ATOM 2061 N VAL B 67 16.365 0.529 15.108 1.00 39.80 N ATOM 2062 CA VAL B 67 16.645 0.350 13.694 1.00 36.07 C ATOM 2063 C VAL B 67 16.870 -1.155 13.465 1.00 45.86 C ATOM 2064 O VAL B 67 16.990 -1.895 14.436 1.00 41.74 O ATOM 2065 CB VAL B 67 17.883 1.194 13.252 1.00 41.15 C ATOM 2066 CG1 VAL B 67 17.558 2.702 13.248 1.00 38.35 C ATOM 2067 CG2 VAL B 67 19.113 0.903 14.130 1.00 47.41 C ATOM 2068 N GLU B 68 16.919 -1.589 12.205 1.00 44.48 N ATOM 2069 CA GLU B 68 17.095 -3.016 11.844 1.00 49.07 C ATOM 2070 C GLU B 68 18.307 -3.670 12.499 1.00 56.09 C ATOM 2071 O GLU B 68 19.238 -2.972 12.930 1.00 46.45 O ATOM 2072 CB GLU B 68 17.178 -3.181 10.318 1.00 51.11 C ATOM 2073 CG GLU B 68 18.448 -2.613 9.672 1.00159.04 C ATOM 2074 CD GLU B 68 18.837 -3.304 8.369 1.00187.71 C ATOM 2075 OE1 GLU B 68 20.026 -3.217 7.989 1.00155.77 O ATOM 2076 OE2 GLU B 68 17.969 -3.931 7.723 1.00146.89 O ATOM 2077 N GLN B 69 18.291 -5.006 12.552 1.00 87.62 N ATOM 2078 CA GLN B 69 19.300 -5.817 13.260 1.00103.02 C ATOM 2079 C GLN B 69 20.528 -6.157 12.414 1.00102.04 C ATOM 2080 O GLN B 69 20.789 -7.319 12.100 1.00153.42 O ATOM 2081 CB GLN B 69 18.667 -7.088 13.844 1.00100.90 C ATOM 2082 CG GLN B 69 18.306 -6.974 15.321 1.00173.82 C ATOM 2083 CD GLN B 69 19.517 -6.683 16.198 1.00243.26 C ATOM 2084 OE1 GLN B 69 19.561 -5.670 16.899 1.00101.15 O ATOM 2085 NE2 GLN B 69 20.513 -7.564 16.149 1.00 90.84 N ATOM 2086 N AASN B 70 21.155 -5.101 11.894 0.50100.35 N ATOM 2087 N BASN B 70 21.378 -5.139 12.311 0.50 35.71 N ATOM 2088 CA AASN B 70 21.992 -5.152 10.685 0.50119.70 C ATOM 2089 CA BASN B 70 22.736 -5.124 11.729 0.50 37.25 C ATOM 2090 C AASN B 70 22.239 -3.740 10.171 0.50108.86 C ATOM 2091 C BASN B 70 22.981 -3.736 11.133 0.50 60.52 C ATOM 2092 O AASN B 70 22.837 -3.541 9.111 0.50 75.74 O ATOM 2093 O BASN B 70 24.120 -3.295 10.985 0.50 77.21 O ATOM 2094 CB AASN B 70 21.294 -5.936 9.558 0.50118.72 C ATOM 2095 CB BASN B 70 22.970 -6.215 10.681 0.50 97.22 C ATOM 2096 CG AASN B 70 21.831 -7.351 9.391 0.50159.55 C ATOM 2097 CG BASN B 70 23.790 -7.373 11.221 0.50108.15 C ATOM 2098 OD1AASN B 70 23.011 -7.618 9.622 0.50222.29 O ATOM 2099 OD1BASN B 70 24.070 -7.445 12.418 0.50 39.06 O ATOM 2100 ND2AASN B 70 20.960 -8.263 8.969 0.50 69.23 N ATOM 2101 ND2BASN B 70 24.182 -8.286 10.339 0.50126.24 N ATOM 2102 N APHE B 71 21.752 -2.758 10.921 0.50112.18 N ATOM 2103 N BPHE B 71 21.879 -3.068 10.797 0.50 95.66 N ATOM 2104 CA APHE B 71 21.739 -1.378 10.454 0.50 86.44 C ATOM 2105 CA BPHE B 71 21.850 -1.650 10.415 0.50 72.75 C ATOM 2106 C APHE B 71 23.054 -0.918 9.837 0.50 46.71 C ATOM 2107 C BPHE B 71 23.124 -1.069 9.783 0.50 37.06 C ATOM 2108 O APHE B 71 24.100 -0.900 10.493 0.50 58.05 O ATOM 2109 O BPHE B 71 24.197 -1.081 10.393 0.50 62.39 O ATOM 2110 CB APHE B 71 21.319 -0.427 11.579 0.50101.33 C ATOM 2111 CB BPHE B 71 21.393 -0.796 11.612 0.50 52.89 C ATOM 2112 CG APHE B 71 21.050 0.989 11.122 0.50 54.70 C ATOM 2113 CG BPHE B 71 21.418 0.694 11.356 0.50 35.20 C ATOM 2114 CD1APHE B 71 19.842 1.322 10.517 0.50 32.14 C ATOM 2115 CD1BPHE B 71 20.522 1.281 10.465 0.50 45.78 C ATOM 2116 CD2APHE B 71 22.001 1.990 11.312 0.50 30.54 C ATOM 2117 CD2BPHE B 71 22.332 1.507 12.013 0.50 47.80 C ATOM 2118 CE1APHE B 71 19.588 2.647 10.096 0.50 32.49 C ATOM 2119 CE1BPHE B 71 20.548 2.663 10.227 0.50 55.84 C ATOM 2120 CE2APHE B 71 21.755 3.312 10.906 0.50 43.17 C ATOM 2121 CE2BPHE B 71 22.362 2.882 11.786 0.50 38.35 C ATOM 2122 CZ APHE B 71 20.544 3.640 10.304 0.50 27.81 C ATOM 2123 CZ BPHE B 71 21.469 3.465 10.893 0.50 36.84 C ATOM 2124 N GLU B 72 22.976 -0.551 8.564 1.00 42.46 N ATOM 2125 CA GLU B 72 24.010 0.261 7.913 1.00 40.21 C ATOM 2126 C GLU B 72 23.225 1.496 7.552 1.00 53.85 C ATOM 2127 O GLU B 72 22.114 1.403 7.052 1.00 44.46 O ATOM 2128 CB GLU B 72 24.546 -0.384 6.635 1.00 39.64 C ATOM 2129 CG GLU B 72 25.311 -1.679 6.827 1.00161.08 C ATOM 2130 CD GLU B 72 25.417 -2.467 5.539 1.00190.29 C ATOM 2131 OE1 GLU B 72 26.112 -2.010 4.602 1.00130.41 O ATOM 2132 OE2 GLU B 72 24.792 -3.545 5.467 1.00 81.62 O ATOM 2133 N MET B 73 23.770 2.654 7.857 1.00 42.84 N ATOM 2134 CA AMET B 73 23.044 3.899 7.581 0.50 26.30 C ATOM 2135 CA BMET B 73 23.101 3.912 7.642 0.50 76.41 C ATOM 2136 C MET B 73 23.266 4.318 6.160 1.00 47.02 C ATOM 2137 O MET B 73 24.241 4.997 5.820 1.00 54.10 O ATOM 2138 CB AMET B 73 23.473 5.029 8.520 0.50 83.55 C ATOM 2139 CB BMET B 73 23.713 4.931 8.626 0.50 23.69 C ATOM 2140 CG AMET B 73 22.860 6.395 8.161 0.50 24.76 C ATOM 2141 CG BMET B 73 22.796 6.052 9.066 0.50 41.86 C ATOM 2142 SD AMET B 73 23.212 7.702 9.359 0.50 36.64 S ATOM 2143 SD BMET B 73 23.569 7.018 10.386 0.50 42.11 S ATOM 2144 CE AMET B 73 23.351 6.750 10.885 0.50 42.36 C ATOM 2145 CE BMET B 73 24.993 7.730 9.561 0.50 27.77 C ATOM 2146 N ARG B 74 22.346 3.871 5.298 1.00 37.93 N ATOM 2147 CA ARG B 74 22.350 4.213 3.889 1.00 34.69 C ATOM 2148 C ARG B 74 20.972 4.769 3.533 1.00 29.34 C ATOM 2149 O ARG B 74 19.969 4.378 4.141 1.00 32.62 O ATOM 2150 CB ARG B 74 22.612 2.927 3.044 1.00 34.23 C ATOM 2151 CG ARG B 74 24.000 2.361 3.191 1.00 42.20 C ATOM 2152 CD ARG B 74 24.241 1.266 2.169 1.00 51.64 C ATOM 2153 NE ARG B 74 25.659 0.891 2.073 1.00 58.99 N ATOM 2154 CZ ARG B 74 26.518 1.395 1.181 1.00 46.15 C ATOM 2155 NH1 ARG B 74 26.131 2.316 0.295 1.00 55.66 N ATOM 2156 NH2 ARG B 74 27.778 0.982 1.181 1.00275.30 N ATOM 2157 N VAL B 75 20.901 5.625 2.524 1.00 30.98 N ATOM 2158 CA VAL B 75 19.605 6.135 2.110 1.00 33.77 C ATOM 2159 C VAL B 75 18.641 4.973 1.874 1.00 35.25 C ATOM 2160 O VAL B 75 19.020 3.945 1.262 1.00 31.96 O ATOM 2161 CB VAL B 75 19.746 7.027 0.854 1.00 33.12 C ATOM 2162 CG1 VAL B 75 18.399 7.266 0.184 1.00 38.53 C ATOM 2163 CG2 VAL B 75 20.368 8.360 1.217 1.00 37.13 C ATOM 2164 N GLY B 76 17.407 5.145 2.359 1.00 27.54 N ATOM 2165 CA GLY B 76 16.356 4.135 2.272 1.00 29.79 C ATOM 2166 C GLY B 76 16.217 3.315 3.525 1.00 30.95 C ATOM 2167 O GLY B 76 15.222 2.581 3.678 1.00 32.39 O ATOM 2168 N CYS B 77 17.194 3.415 4.444 1.00 33.37 N ATOM 2169 CA CYS B 77 17.012 2.758 5.743 1.00 36.60 C ATOM 2170 C CYS B 77 15.872 3.403 6.566 1.00 30.86 C ATOM 2171 O CYS B 77 15.443 4.541 6.285 1.00 30.03 O ATOM 2172 CB CYS B 77 18.323 2.695 6.525 1.00 32.58 C ATOM 2173 SG CYS B 77 18.831 4.290 7.178 1.00 37.03 S ATOM 2174 N THR B 78 15.363 2.658 7.534 1.00 29.21 N ATOM 2175 CA THR B 78 14.254 3.135 8.342 1.00 26.11 C ATOM 2176 C THR B 78 14.582 3.078 9.833 1.00 28.16 C ATOM 2177 O THR B 78 15.503 2.370 10.274 1.00 33.72 O ATOM 2178 CB THR B 78 12.943 2.369 8.044 1.00 40.76 C ATOM 2179 OG1 THR B 78 13.126 0.982 8.397 1.00 36.28 O ATOM 2180 CG2 THR B 78 12.543 2.523 6.528 1.00 37.22 C ATOM 2181 N ARG B 79 13.811 3.823 10.624 1.00 29.90 N ATOM 2182 CA ARG B 79 13.912 3.753 12.101 1.00 25.55 C ATOM 2183 C ARG B 79 12.488 3.805 12.638 1.00 29.14 C ATOM 2184 O ARG B 79 11.609 4.362 11.990 1.00 29.17 O ATOM 2185 CB ARG B 79 14.727 4.956 12.623 1.00 24.65 C ATOM 2186 CG ARG B 79 14.070 6.293 12.313 1.00 28.26 C ATOM 2187 CD ARG B 79 14.948 7.415 12.829 1.00 31.27 C ATOM 2188 NE ARG B 79 14.393 8.718 12.460 1.00 29.72 N ATOM 2189 CZ ARG B 79 15.097 9.850 12.405 1.00 32.52 C ATOM 2190 NH1 ARG B 79 16.411 9.874 12.688 1.00 27.71 N ATOM 2191 NH2 ARG B 79 14.485 10.974 12.061 1.00 32.50 N ATOM 2192 N ASP B 80 12.275 3.236 13.829 1.00 27.65 N ATOM 2193 CA ASP B 80 10.968 3.236 14.469 1.00 28.63 C ATOM 2194 C ASP B 80 11.096 4.032 15.744 1.00 28.00 C ATOM 2195 O ASP B 80 11.714 3.599 16.718 1.00 32.30 O ATOM 2196 CB ASP B 80 10.536 1.815 14.802 1.00 35.04 C ATOM 2197 CG ASP B 80 10.237 0.985 13.544 1.00 62.77 C ATOM 2198 OD1 ASP B 80 9.829 1.573 12.512 1.00 43.63 O ATOM 2199 OD2 ASP B 80 10.400 -0.253 13.587 1.00113.77 O ATOM 2200 N VAL B 81 10.544 5.231 15.696 1.00 23.35 N ATOM 2201 CA VAL B 81 10.669 6.157 16.805 1.00 24.20 C ATOM 2202 C VAL B 81 9.457 5.999 17.729 1.00 34.66 C ATOM 2203 O VAL B 81 8.322 5.936 17.267 1.00 34.03 O ATOM 2204 CB VAL B 81 10.770 7.619 16.253 1.00 30.21 C ATOM 2205 CG1 VAL B 81 10.729 8.623 17.374 1.00 37.09 C ATOM 2206 CG2 VAL B 81 12.076 7.793 15.466 1.00 36.25 C ATOM 2207 N ILE B 82 9.703 5.932 19.030 1.00 30.98 N ATOM 2208 CA ILE B 82 8.609 5.832 20.006 1.00 29.37 C ATOM 2209 C ILE B 82 8.538 7.208 20.699 1.00 29.76 C ATOM 2210 O ILE B 82 9.526 7.649 21.222 1.00 29.57 O ATOM 2211 CB ILE B 82 8.949 4.772 21.065 1.00 32.84 C ATOM 2212 CG1 ILE B 82 9.324 3.439 20.375 1.00 40.21 C ATOM 2213 CG2 ILE B 82 7.770 4.612 22.040 1.00 32.53 C ATOM 2214 CD1 ILE B 82 8.265 2.927 19.380 1.00 34.28 C ATOM 2215 N VAL B 83 7.355 7.806 20.722 1.00 31.65 N ATOM 2216 CA VAL B 83 7.098 9.124 21.290 1.00 28.24 C ATOM 2217 C VAL B 83 6.570 9.005 22.738 1.00 35.95 C ATOM 2218 O VAL B 83 5.845 8.074 23.053 1.00 35.56 O ATOM 2219 CB VAL B 83 5.943 9.794 20.519 1.00 32.19 C ATOM 2220 CG1 VAL B 83 5.904 11.231 20.820 1.00 39.34 C ATOM 2221 CG2 VAL B 83 6.092 9.591 19.003 1.00 56.70 C ATOM 2222 N ILE B 84 6.871 9.965 23.601 1.00 32.35 N ATOM 2223 CA ILE B 84 6.232 9.944 24.903 1.00 27.11 C ATOM 2224 C ILE B 84 4.722 10.169 24.780 1.00 25.57 C ATOM 2225 O ILE B 84 4.214 10.777 23.804 1.00 36.55 O ATOM 2226 CB ILE B 84 6.867 10.983 25.862 1.00 54.52 C ATOM 2227 CG1 ILE B 84 6.494 12.403 25.430 1.00 38.32 C ATOM 2228 CG2 ILE B 84 8.378 10.793 25.900 1.00 48.28 C ATOM 2229 CD1 ILE B 84 7.071 13.551 26.365 1.00 40.00 C ATOM 2230 N SER B 85 3.963 9.670 25.761 1.00 45.43 N ATOM 2231 CA SER B 85 2.505 9.856 25.709 1.00 36.85 C ATOM 2232 C SER B 85 2.083 11.302 25.978 1.00 47.12 C ATOM 2233 O SER B 85 2.749 12.041 26.717 1.00 53.93 O ATOM 2234 CB SER B 85 1.789 8.884 26.666 1.00 60.82 C ATOM 2235 OG SER B 85 2.557 8.668 27.838 1.00 81.40 O ATOM 2236 N GLY B 86 0.989 11.696 25.341 1.00 54.76 N ATOM 2237 CA GLY B 86 0.505 13.045 25.451 1.00 43.36 C ATOM 2238 C GLY B 86 0.455 13.746 24.118 1.00 97.78 C ATOM 2239 O GLY B 86 -0.110 14.824 24.029 1.00 53.39 O ATOM 2240 N LEU B 87 1.035 13.144 23.079 1.00 40.16 N ATOM 2241 CA LEU B 87 1.119 13.819 21.798 1.00 85.54 C ATOM 2242 C LEU B 87 0.177 13.138 20.801 1.00 84.22 C ATOM 2243 O LEU B 87 -0.398 12.089 21.133 1.00 53.01 O ATOM 2244 CB LEU B 87 2.582 13.866 21.335 1.00 41.73 C ATOM 2245 CG LEU B 87 3.448 14.925 22.041 1.00 38.39 C ATOM 2246 CD1 LEU B 87 4.904 14.518 21.984 1.00 38.90 C ATOM 2247 CD2 LEU B 87 3.272 16.252 21.345 1.00 47.66 C ATOM 2248 N PRO B 88 -0.006 13.734 19.596 1.00 54.52 N ATOM 2249 CA PRO B 88 -0.933 13.153 18.600 1.00 64.22 C ATOM 2250 C PRO B 88 -0.528 11.748 18.140 1.00 97.01 C ATOM 2251 O PRO B 88 -1.350 11.048 17.540 1.00 60.59 O ATOM 2252 CB PRO B 88 -0.868 14.147 17.425 1.00 61.49 C ATOM 2253 CG PRO B 88 -0.333 15.433 18.011 1.00 64.39 C ATOM 2254 CD PRO B 88 0.623 14.967 19.079 1.00 50.73 C ATOM 2255 N ALA B 89 0.710 11.354 18.462 1.00 67.76 N ATOM 2256 CA ALA B 89 1.301 10.073 18.069 1.00 42.47 C ATOM 2257 C ALA B 89 1.961 9.294 19.212 1.00 43.46 C ATOM 2258 O ALA B 89 2.427 9.869 20.190 1.00 74.10 O ATOM 2259 CB ALA B 89 2.327 10.314 16.994 1.00 81.85 C ATOM 2260 N ASN B 90 1.992 7.973 19.032 1.00 33.73 N ATOM 2261 CA ASN B 90 2.694 7.000 19.856 1.00 39.78 C ATOM 2262 C ASN B 90 4.017 6.603 19.208 1.00 41.19 C ATOM 2263 O ASN B 90 4.993 6.289 19.909 1.00 35.87 O ATOM 2264 CB ASN B 90 1.853 5.688 19.950 1.00 39.84 C ATOM 2265 CG ASN B 90 0.846 5.701 21.097 1.00 43.73 C ATOM 2266 OD1 ASN B 90 1.059 6.355 22.112 1.00 70.54 O ATOM 2267 ND2 ASN B 90 -0.249 4.963 20.934 1.00109.63 N ATOM 2268 N THR B 91 4.025 6.516 17.868 1.00 35.19 N ATOM 2269 CA THR B 91 5.167 5.927 17.158 1.00 37.31 C ATOM 2270 C THR B 91 5.252 6.606 15.804 1.00 32.91 C ATOM 2271 O THR B 91 4.258 7.139 15.304 1.00 36.13 O ATOM 2272 CB THR B 91 4.961 4.421 16.881 1.00 45.23 C ATOM 2273 OG1 THR B 91 3.841 4.270 16.000 1.00 52.58 O ATOM 2274 CG2 THR B 91 4.661 3.650 18.172 1.00 42.23 C ATOM 2275 N SER B 92 6.420 6.509 15.189 1.00 27.90 N ATOM 2276 CA SER B 92 6.582 7.033 13.842 1.00 29.72 C ATOM 2277 C SER B 92 7.611 6.178 13.146 1.00 30.91 C ATOM 2278 O SER B 92 8.649 5.881 13.737 1.00 33.44 O ATOM 2279 CB SER B 92 7.181 8.432 13.990 1.00 31.56 C ATOM 2280 OG SER B 92 7.296 9.073 12.726 1.00 36.74 O ATOM 2281 N THR B 93 7.344 5.768 11.904 1.00 28.75 N ATOM 2282 CA THR B 93 8.369 5.116 11.077 1.00 25.68 C ATOM 2283 C THR B 93 8.834 6.062 10.022 1.00 28.28 C ATOM 2284 O THR B 93 7.999 6.680 9.383 1.00 28.40 O ATOM 2285 CB THR B 93 7.766 3.866 10.374 1.00 39.15 C ATOM 2286 OG1 THR B 93 7.229 3.012 11.390 1.00 41.75 O ATOM 2287 CG2 THR B 93 8.845 3.099 9.644 1.00 34.60 C ATOM 2288 N GLU B 94 10.152 6.226 9.933 1.00 28.92 N ATOM 2289 CA GLU B 94 10.808 7.234 9.150 1.00 24.49 C ATOM 2290 C GLU B 94 11.832 6.623 8.240 1.00 28.29 C ATOM 2291 O GLU B 94 12.552 5.714 8.658 1.00 30.31 O ATOM 2292 CB GLU B 94 11.445 8.284 10.081 1.00 29.27 C ATOM 2293 CG GLU B 94 10.328 9.070 10.773 1.00 45.38 C ATOM 2294 CD GLU B 94 10.677 9.786 12.064 1.00172.50 C ATOM 2295 OE1 GLU B 94 11.868 9.856 12.447 1.00 32.99 O ATOM 2296 OE2 GLU B 94 9.710 10.295 12.691 1.00 36.34 O ATOM 2297 N ARG B 95 11.981 7.203 7.044 1.00 24.61 N ATOM 2298 CA ARG B 95 12.875 6.636 6.050 1.00 26.11 C ATOM 2299 C ARG B 95 13.910 7.671 5.731 1.00 32.78 C ATOM 2300 O ARG B 95 13.566 8.823 5.521 1.00 26.49 O ATOM 2301 CB ARG B 95 12.109 6.217 4.776 1.00 30.49 C ATOM 2302 CG ARG B 95 13.010 5.734 3.627 1.00 32.26 C ATOM 2303 CD ARG B 95 12.231 5.602 2.292 1.00 29.62 C ATOM 2304 NE ARG B 95 12.013 6.955 1.783 1.00 33.03 N ATOM 2305 CZ ARG B 95 10.856 7.475 1.404 1.00 35.19 C ATOM 2306 NH1 ARG B 95 9.729 6.768 1.414 1.00 33.77 N ATOM 2307 NH2 ARG B 95 10.861 8.726 0.953 1.00 32.49 N ATOM 2308 N LEU B 96 15.177 7.294 5.756 1.00 26.09 N ATOM 2309 CA LEU B 96 16.258 8.245 5.413 1.00 27.39 C ATOM 2310 C LEU B 96 16.260 8.575 3.920 1.00 35.55 C ATOM 2311 O LEU B 96 16.343 7.666 3.100 1.00 29.96 O ATOM 2312 CB LEU B 96 17.595 7.656 5.868 1.00 26.35 C ATOM 2313 CG LEU B 96 18.887 8.445 5.605 1.00 27.77 C ATOM 2314 CD1 LEU B 96 18.844 9.754 6.394 1.00 28.38 C ATOM 2315 CD2 LEU B 96 20.036 7.583 6.142 1.00 28.01 C ATOM 2316 N ASP B 97 16.145 9.864 3.561 1.00 27.36 N ATOM 2317 CA ASP B 97 16.044 10.282 2.172 1.00 24.94 C ATOM 2318 C ASP B 97 17.369 10.727 1.576 1.00 35.15 C ATOM 2319 O ASP B 97 17.627 10.559 0.362 1.00 32.88 O ATOM 2320 CB ASP B 97 15.091 11.464 2.029 1.00 29.35 C ATOM 2321 CG ASP B 97 13.629 11.062 2.198 1.00 33.35 C ATOM 2322 OD1 ASP B 97 13.268 9.941 1.799 1.00 38.34 O ATOM 2323 OD2 ASP B 97 12.862 11.885 2.744 1.00 35.43 O ATOM 2324 N ILE B 98 18.180 11.359 2.408 1.00 28.76 N ATOM 2325 CA ILE B 98 19.401 12.038 1.955 1.00 31.80 C ATOM 2326 C ILE B 98 20.421 11.909 3.056 1.00 28.48 C ATOM 2327 O ILE B 98 20.125 12.128 4.238 1.00 28.54 O ATOM 2328 CB ILE B 98 19.168 13.566 1.733 1.00 32.19 C ATOM 2329 CG1 ILE B 98 18.007 13.852 0.787 1.00 34.81 C ATOM 2330 CG2 ILE B 98 20.439 14.244 1.171 1.00 33.71 C ATOM 2331 CD1 ILE B 98 17.601 15.309 0.738 1.00 43.91 C ATOM 2332 N LEU B 99 21.650 11.561 2.697 1.00 30.70 N ATOM 2333 CA LEU B 99 22.723 11.699 3.652 1.00 31.63 C ATOM 2334 C LEU B 99 23.979 12.040 2.882 1.00 42.13 C ATOM 2335 O LEU B 99 24.566 11.196 2.199 1.00 41.17 O ATOM 2336 CB LEU B 99 22.945 10.413 4.435 1.00 32.19 C ATOM 2337 CG LEU B 99 23.990 10.465 5.546 1.00 46.17 C ATOM 2338 CD1 LEU B 99 23.491 11.374 6.658 1.00 56.38 C ATOM 2339 CD2 LEU B 99 24.203 9.078 6.058 1.00 59.92 C ATOM 2340 N ASP B 100 24.381 13.287 2.958 1.00 33.80 N ATOM 2341 CA ASP B 100 25.507 13.695 2.134 1.00 33.95 C ATOM 2342 C ASP B 100 26.531 14.312 3.066 1.00 42.19 C ATOM 2343 O ASP B 100 26.379 15.438 3.507 1.00 38.08 O ATOM 2344 CB ASP B 100 25.034 14.683 1.092 1.00 32.36 C ATOM 2345 CG ASP B 100 26.163 15.197 0.238 1.00137.90 C ATOM 2346 OD1 ASP B 100 27.330 15.005 0.610 1.00 42.62 O ATOM 2347 OD2 ASP B 100 25.898 15.796 -0.808 1.00 43.86 O ATOM 2348 N ASP B 101 27.564 13.533 3.364 1.00 35.84 N ATOM 2349 CA ASP B 101 28.592 13.937 4.315 1.00 43.63 C ATOM 2350 C ASP B 101 29.511 15.036 3.826 1.00 48.72 C ATOM 2351 O ASP B 101 30.148 15.719 4.631 1.00 44.43 O ATOM 2352 CB ASP B 101 29.417 12.722 4.732 1.00 38.30 C ATOM 2353 CG ASP B 101 28.691 11.863 5.735 1.00 54.09 C ATOM 2354 OD1 ASP B 101 28.035 12.443 6.619 1.00 48.37 O ATOM 2355 OD2 ASP B 101 28.771 10.624 5.651 1.00 47.50 O ATOM 2356 N GLU B 102 29.576 15.210 2.512 1.00 50.02 N ATOM 2357 CA GLU B 102 30.451 16.233 1.947 1.00 59.63 C ATOM 2358 C GLU B 102 29.774 17.597 2.018 1.00 59.21 C ATOM 2359 O GLU B 102 30.431 18.607 2.245 1.00 65.15 O ATOM 2360 CB GLU B 102 30.864 15.900 0.492 1.00 52.42 C ATOM 2361 CG GLU B 102 31.152 14.415 0.212 1.00121.41 C ATOM 2362 CD GLU B 102 32.204 13.811 1.137 1.00197.74 C ATOM 2363 OE1 GLU B 102 33.256 14.454 1.354 1.00214.81 O ATOM 2364 OE2 GLU B 102 31.978 12.687 1.641 1.00 81.52 O ATOM 2365 N ARG B 103 28.459 17.630 1.823 1.00 35.53 N ATOM 2366 CA ARG B 103 27.748 18.893 1.808 1.00 34.64 C ATOM 2367 C ARG B 103 27.000 19.135 3.115 1.00 41.02 C ATOM 2368 O ARG B 103 26.425 20.199 3.289 1.00 44.57 O ATOM 2369 CB ARG B 103 26.753 18.924 0.654 1.00 36.82 C ATOM 2370 CG ARG B 103 27.411 18.655 -0.707 1.00 50.62 C ATOM 2371 CD ARG B 103 26.446 18.908 -1.834 1.00 43.46 C ATOM 2372 NE ARG B 103 26.100 20.329 -1.938 1.00 62.65 N ATOM 2373 CZ ARG B 103 25.115 20.807 -2.696 1.00 70.89 C ATOM 2374 NH1 ARG B 103 24.361 19.980 -3.422 1.00 57.87 N ATOM 2375 NH2 ARG B 103 24.877 22.112 -2.726 1.00 55.65 N ATOM 2376 N ARG B 104 27.012 18.133 4.014 1.00 33.63 N ATOM 2377 CA ARG B 104 26.276 18.206 5.297 1.00 31.83 C ATOM 2378 C ARG B 104 24.784 18.451 5.092 1.00 35.76 C ATOM 2379 O ARG B 104 24.239 19.459 5.561 1.00 36.26 O ATOM 2380 CB ARG B 104 26.870 19.288 6.200 1.00 32.78 C ATOM 2381 CG ARG B 104 28.338 19.041 6.481 1.00 38.21 C ATOM 2382 CD ARG B 104 28.836 20.047 7.480 1.00 45.94 C ATOM 2383 NE ARG B 104 30.243 19.815 7.766 1.00 53.31 N ATOM 2384 CZ ARG B 104 31.197 20.719 7.572 1.00 65.55 C ATOM 2385 NH1 ARG B 104 30.899 21.927 7.108 1.00 43.16 N ATOM 2386 NH2 ARG B 104 32.449 20.409 7.849 1.00 53.61 N ATOM 2387 N VAL B 105 24.121 17.513 4.404 1.00 32.65 N ATOM 2388 CA VAL B 105 22.678 17.641 4.120 1.00 28.03 C ATOM 2389 C VAL B 105 22.080 16.302 4.488 1.00 33.15 C ATOM 2390 O VAL B 105 22.631 15.271 4.128 1.00 33.50 O ATOM 2391 CB VAL B 105 22.373 17.853 2.634 1.00 34.11 C ATOM 2392 CG1 VAL B 105 20.844 17.926 2.374 1.00 34.33 C ATOM 2393 CG2 VAL B 105 23.082 19.076 2.096 1.00 47.82 C ATOM 2394 N THR B 106 21.017 16.313 5.282 1.00 27.62 N ATOM 2395 CA THR B 106 20.280 15.057 5.562 1.00 29.45 C ATOM 2396 C THR B 106 18.796 15.310 5.477 1.00 30.37 C ATOM 2397 O THR B 106 18.362 16.464 5.388 1.00 29.01 O ATOM 2398 CB THR B 106 20.701 14.398 6.892 1.00 33.70 C ATOM 2399 OG1 THR B 106 20.166 13.060 6.975 1.00 38.83 O ATOM 2400 CG2 THR B 106 20.241 15.214 8.131 1.00 27.42 C ATOM 2401 N GLY B 107 17.995 14.260 5.364 1.00 27.35 N ATOM 2402 CA GLY B 107 16.554 14.484 5.301 1.00 25.81 C ATOM 2403 C GLY B 107 15.863 13.148 5.499 1.00 27.41 C ATOM 2404 O GLY B 107 16.507 12.098 5.335 1.00 28.59 O ATOM 2405 N PHE B 108 14.583 13.193 5.889 1.00 27.51 N ATOM 2406 CA PHE B 108 13.813 11.982 6.091 1.00 29.27 C ATOM 2407 C PHE B 108 12.341 12.190 5.781 1.00 30.00 C ATOM 2408 O PHE B 108 11.894 13.306 5.680 1.00 25.67 O ATOM 2409 CB PHE B 108 13.981 11.478 7.545 1.00 29.55 C ATOM 2410 CG PHE B 108 13.263 12.314 8.566 1.00 29.93 C ATOM 2411 CD1 PHE B 108 11.954 12.026 8.935 1.00 36.54 C ATOM 2412 CD2 PHE B 108 13.904 13.334 9.228 1.00 23.97 C ATOM 2413 CE1 PHE B 108 11.288 12.795 9.912 1.00 31.78 C ATOM 2414 CE2 PHE B 108 13.234 14.118 10.170 1.00 23.31 C ATOM 2415 CZ PHE B 108 11.946 13.853 10.521 1.00 29.96 C ATOM 2416 N SER B 109 11.609 11.085 5.635 1.00 24.63 N ATOM 2417 CA SER B 109 10.181 11.147 5.347 1.00 26.90 C ATOM 2418 C SER B 109 9.488 10.228 6.316 1.00 27.52 C ATOM 2419 O SER B 109 9.977 9.133 6.579 1.00 31.61 O ATOM 2420 CB SER B 109 9.908 10.562 3.945 1.00 33.63 C ATOM 2421 OG SER B 109 10.332 11.440 2.892 1.00 33.49 O ATOM 2422 N ILE B 110 8.343 10.653 6.812 1.00 26.60 N ATOM 2423 CA ILE B 110 7.560 9.759 7.712 1.00 26.46 C ATOM 2424 C ILE B 110 6.711 8.834 6.834 1.00 31.96 C ATOM 2425 O ILE B 110 5.941 9.308 5.989 1.00 36.78 O ATOM 2426 CB ILE B 110 6.655 10.568 8.634 1.00 33.80 C ATOM 2427 CG1 ILE B 110 7.498 11.531 9.472 1.00 29.21 C ATOM 2428 CG2 ILE B 110 5.817 9.643 9.488 1.00 39.97 C ATOM 2429 CD1 ILE B 110 6.714 12.327 10.508 1.00 44.49 C ATOM 2430 N ILE B 111 6.852 7.529 7.054 1.00 33.07 N ATOM 2431 CA ILE B 111 6.201 6.534 6.189 1.00 39.48 C ATOM 2432 C ILE B 111 5.151 5.664 6.881 1.00 40.94 C ATOM 2433 O ILE B 111 4.461 4.874 6.233 1.00 44.68 O ATOM 2434 CB ILE B 111 7.247 5.656 5.447 1.00 41.36 C ATOM 2435 CG1 ILE B 111 8.169 4.933 6.429 1.00 41.01 C ATOM 2436 CG2 ILE B 111 8.050 6.513 4.459 1.00 41.81 C ATOM 2437 CD1 ILE B 111 8.939 3.751 5.836 1.00 38.95 C ATOM 2438 N GLY B 112 4.999 5.845 8.179 1.00 34.21 N ATOM 2439 CA GLY B 112 4.089 5.029 8.974 1.00 47.07 C ATOM 2440 C GLY B 112 4.073 5.463 10.427 1.00 53.64 C ATOM 2441 O GLY B 112 4.752 6.411 10.808 1.00 32.76 O ATOM 2442 N GLY B 113 3.270 4.770 11.227 1.00 47.61 N ATOM 2443 CA GLY B 113 3.169 5.032 12.662 1.00 48.48 C ATOM 2444 C GLY B 113 1.775 5.497 13.023 1.00 87.70 C ATOM 2445 O GLY B 113 0.997 5.873 12.139 1.00 58.48 O ATOM 2446 N GLU B 114 1.454 5.470 14.317 1.00 66.29 N ATOM 2447 CA GLU B 114 0.175 5.996 14.787 1.00137.98 C ATOM 2448 C GLU B 114 0.320 7.489 15.035 1.00108.80 C ATOM 2449 O GLU B 114 0.696 7.892 16.135 1.00 92.34 O ATOM 2450 CB GLU B 114 -0.299 5.307 16.077 1.00103.47 C ATOM 2451 CG GLU B 114 -1.800 5.509 16.354 1.00120.42 C ATOM 2452 CD GLU B 114 -2.109 6.080 17.741 1.00215.88 C ATOM 2453 OE1 GLU B 114 -1.575 7.158 18.089 1.00 67.01 O ATOM 2454 OE2 GLU B 114 -2.916 5.468 18.475 1.00 58.72 O ATOM 2455 N HIS B 115 0.051 8.294 14.004 1.00 65.55 N ATOM 2456 CA HIS B 115 0.013 9.770 14.131 1.00 59.99 C ATOM 2457 C HIS B 115 -0.691 10.518 12.992 1.00 92.74 C ATOM 2458 O HIS B 115 -1.330 9.906 12.127 1.00137.25 O ATOM 2459 CB HIS B 115 1.408 10.369 14.388 1.00 55.29 C ATOM 2460 CG HIS B 115 2.381 10.159 13.274 1.00167.60 C ATOM 2461 ND1 HIS B 115 3.321 9.149 13.287 1.00 56.85 N ATOM 2462 CD2 HIS B 115 2.576 10.846 12.123 1.00 43.97 C ATOM 2463 CE1 HIS B 115 4.045 9.215 12.185 1.00 44.62 C ATOM 2464 NE2 HIS B 115 3.611 10.232 11.461 1.00184.85 N ATOM 2465 N ARG B 116 -0.558 11.846 13.000 1.00 53.28 N ATOM 2466 CA ARG B 116 -1.346 12.704 12.098 1.00 71.04 C ATOM 2467 C ARG B 116 -0.550 13.510 11.051 1.00 92.56 C ATOM 2468 O ARG B 116 -1.068 14.489 10.506 1.00 79.73 O ATOM 2469 CB ARG B 116 -2.225 13.661 12.928 1.00 69.94 C ATOM 2470 CG ARG B 116 -2.886 13.054 14.178 1.00 81.11 C ATOM 2471 CD ARG B 116 -3.871 11.941 13.833 1.00 86.12 C ATOM 2472 NE ARG B 116 -4.938 11.839 14.823 1.00138.50 N ATOM 2473 CZ ARG B 116 -6.081 12.521 14.767 1.00241.90 C ATOM 2474 NH1 ARG B 116 -6.314 13.367 13.767 1.00110.31 N ATOM 2475 NH2 ARG B 116 -6.992 12.362 15.718 1.00316.53 N ATOM 2476 N LEU B 117 0.685 13.106 10.753 1.00 56.74 N ATOM 2477 CA LEU B 117 1.546 13.906 9.858 1.00 94.11 C ATOM 2478 C LEU B 117 1.828 13.298 8.473 1.00 77.47 C ATOM 2479 O LEU B 117 2.978 13.003 8.107 1.00 48.33 O ATOM 2480 CB LEU B 117 2.848 14.294 10.563 1.00 47.65 C ATOM 2481 CG LEU B 117 2.781 15.224 11.774 1.00 41.59 C ATOM 2482 CD1 LEU B 117 4.193 15.397 12.252 1.00 38.76 C ATOM 2483 CD2 LEU B 117 2.195 16.580 11.486 1.00 44.05 C ATOM 2484 N THR B 118 0.774 13.176 7.682 1.00 53.80 N ATOM 2485 CA THR B 118 0.833 12.411 6.428 1.00 41.15 C ATOM 2486 C THR B 118 1.712 13.088 5.385 1.00 33.86 C ATOM 2487 O THR B 118 1.607 14.309 5.128 1.00 49.38 O ATOM 2488 CB THR B 118 -0.602 12.101 5.837 1.00 52.85 C ATOM 2489 OG1 THR B 118 -0.895 12.987 4.746 1.00 85.58 O ATOM 2490 CG2 THR B 118 -1.674 12.228 6.908 1.00 46.06 C ATOM 2491 N ASN B 119 2.579 12.271 4.787 1.00 37.94 N ATOM 2492 CA ASN B 119 3.557 12.719 3.796 1.00 33.89 C ATOM 2493 C ASN B 119 4.578 13.768 4.296 1.00 32.90 C ATOM 2494 O ASN B 119 5.144 14.543 3.508 1.00 42.52 O ATOM 2495 CB ASN B 119 2.876 13.177 2.498 1.00 44.10 C ATOM 2496 CG ASN B 119 2.191 12.026 1.767 1.00 50.88 C ATOM 2497 OD1 ASN B 119 2.716 10.912 1.698 1.00 59.55 O ATOM 2498 ND2 ASN B 119 1.010 12.290 1.230 1.00 71.12 N ATOM 2499 N TYR B 120 4.820 13.781 5.602 1.00 30.28 N ATOM 2500 CA TYR B 120 5.820 14.692 6.166 1.00 31.18 C ATOM 2501 C TYR B 120 7.188 14.350 5.629 1.00 31.03 C ATOM 2502 O TYR B 120 7.600 13.184 5.668 1.00 30.12 O ATOM 2503 CB TYR B 120 5.786 14.581 7.685 1.00 28.85 C ATOM 2504 CG TYR B 120 6.713 15.550 8.389 1.00 31.68 C ATOM 2505 CD1 TYR B 120 6.238 16.795 8.837 1.00 27.89 C ATOM 2506 CD2 TYR B 120 8.071 15.221 8.613 1.00 30.37 C ATOM 2507 CE1 TYR B 120 7.081 17.694 9.506 1.00 34.25 C ATOM 2508 CE2 TYR B 120 8.936 16.111 9.295 1.00 28.45 C ATOM 2509 CZ TYR B 120 8.435 17.346 9.741 1.00 29.84 C ATOM 2510 OH TYR B 120 9.264 18.287 10.387 1.00 32.92 O ATOM 2511 N LYS B 121 7.896 15.363 5.136 1.00 25.62 N ATOM 2512 CA LYS B 121 9.262 15.180 4.600 1.00 28.86 C ATOM 2513 C LYS B 121 10.066 16.377 5.042 1.00 30.91 C ATOM 2514 O LYS B 121 9.611 17.493 4.887 1.00 29.07 O ATOM 2515 CB LYS B 121 9.240 15.152 3.062 1.00 28.77 C ATOM 2516 CG LYS B 121 10.603 14.975 2.449 1.00 33.97 C ATOM 2517 CD LYS B 121 10.474 14.655 0.954 1.00 41.94 C ATOM 2518 CE LYS B 121 11.797 14.159 0.378 1.00 46.13 C ATOM 2519 NZ LYS B 121 12.894 15.172 0.463 1.00 40.32 N ATOM 2520 N SER B 122 11.243 16.147 5.618 1.00 27.79 N ATOM 2521 CA SER B 122 12.084 17.176 6.242 1.00 26.97 C ATOM 2522 C SER B 122 13.479 17.139 5.632 1.00 28.76 C ATOM 2523 O SER B 122 13.977 16.066 5.295 1.00 26.52 O ATOM 2524 CB SER B 122 12.196 16.827 7.761 1.00 32.45 C ATOM 2525 OG SER B 122 12.991 17.720 8.456 1.00 43.36 O ATOM 2526 N VAL B 123 14.114 18.310 5.465 1.00 25.04 N ATOM 2527 CA VAL B 123 15.507 18.399 5.083 1.00 25.64 C ATOM 2528 C VAL B 123 16.224 19.336 6.059 1.00 28.06 C ATOM 2529 O VAL B 123 15.690 20.392 6.403 1.00 32.77 O ATOM 2530 CB VAL B 123 15.634 18.851 3.578 1.00 29.57 C ATOM 2531 CG1 VAL B 123 17.077 19.038 3.143 1.00 34.01 C ATOM 2532 CG2 VAL B 123 14.858 17.849 2.657 1.00 32.02 C ATOM 2533 N THR B 124 17.440 18.958 6.446 1.00 26.65 N ATOM 2534 CA THR B 124 18.286 19.732 7.358 1.00 24.77 C ATOM 2535 C THR B 124 19.627 19.936 6.696 1.00 31.24 C ATOM 2536 O THR B 124 20.261 18.964 6.201 1.00 32.22 O ATOM 2537 CB THR B 124 18.518 18.935 8.696 1.00 31.26 C ATOM 2538 OG1 THR B 124 17.240 18.734 9.317 1.00 29.67 O ATOM 2539 CG2 THR B 124 19.378 19.770 9.661 1.00 38.18 C ATOM 2540 N THR B 125 20.118 21.174 6.723 1.00 28.19 N ATOM 2541 CA THR B 125 21.457 21.425 6.178 1.00 31.53 C ATOM 2542 C THR B 125 22.246 22.209 7.222 1.00 36.96 C ATOM 2543 O THR B 125 21.676 23.025 7.978 1.00 32.17 O ATOM 2544 CB THR B 125 21.385 22.221 4.862 1.00 33.81 C ATOM 2545 OG1 THR B 125 20.666 23.419 5.101 1.00 33.49 O ATOM 2546 CG2 THR B 125 20.609 21.457 3.756 1.00 37.00 C ATOM 2547 N VAL B 126 23.552 21.952 7.261 1.00 27.31 N ATOM 2548 CA VAL B 126 24.432 22.515 8.277 1.00 27.15 C ATOM 2549 C VAL B 126 25.427 23.425 7.549 1.00 33.77 C ATOM 2550 O VAL B 126 25.949 23.036 6.499 1.00 31.91 O ATOM 2551 CB VAL B 126 25.149 21.396 9.027 1.00 37.82 C ATOM 2552 CG1 VAL B 126 26.172 21.936 10.041 1.00 31.94 C ATOM 2553 CG2 VAL B 126 24.095 20.531 9.725 1.00 37.20 C ATOM 2554 N HIS B 127 25.690 24.604 8.117 1.00 35.44 N ATOM 2555 CA HIS B 127 26.501 25.645 7.411 1.00 31.75 C ATOM 2556 C HIS B 127 27.575 26.240 8.317 1.00 41.00 C ATOM 2557 O HIS B 127 27.333 26.519 9.502 1.00 34.48 O ATOM 2558 CB HIS B 127 25.595 26.737 6.867 1.00 36.32 C ATOM 2559 CG HIS B 127 24.457 26.202 6.057 1.00 47.40 C ATOM 2560 ND1 HIS B 127 24.527 26.050 4.686 1.00 38.62 N ATOM 2561 CD2 HIS B 127 23.239 25.730 6.430 1.00 35.67 C ATOM 2562 CE1 HIS B 127 23.390 25.523 4.248 1.00 47.40 C ATOM 2563 NE2 HIS B 127 22.596 25.315 5.288 1.00 38.76 N ATOM 2564 N ARG B 128 28.770 26.416 7.754 1.00 40.48 N ATOM 2565 CA ARG B 128 29.899 27.061 8.463 1.00 42.80 C ATOM 2566 C ARG B 128 29.875 28.569 8.261 1.00 41.14 C ATOM 2567 O ARG B 128 29.671 29.037 7.126 1.00 43.83 O ATOM 2568 CB ARG B 128 31.245 26.511 7.944 1.00 44.14 C ATOM 2569 CG ARG B 128 32.496 27.049 8.652 1.00 48.66 C ATOM 2570 CD ARG B 128 33.785 26.482 8.021 1.00 46.75 C ATOM 2571 NE ARG B 128 33.861 25.016 8.078 1.00 66.73 N ATOM 2572 CZ ARG B 128 34.480 24.327 9.035 1.00 91.64 C ATOM 2573 NH1 ARG B 128 35.092 24.967 10.025 1.00 93.88 N ATOM 2574 NH2 ARG B 128 34.490 22.997 8.996 1.00 49.17 N ATOM 2575 N PHE B 129 30.065 29.330 9.344 1.00 34.30 N ATOM 2576 CA PHE B 129 30.222 30.782 9.213 1.00 49.79 C ATOM 2577 C PHE B 129 31.470 31.208 9.928 1.00 48.05 C ATOM 2578 O PHE B 129 31.848 30.608 10.938 1.00 42.60 O ATOM 2579 CB PHE B 129 29.024 31.545 9.773 1.00 47.57 C ATOM 2580 CG PHE B 129 27.877 31.649 8.824 1.00 45.01 C ATOM 2581 CD1 PHE B 129 27.776 32.734 7.961 1.00 50.13 C ATOM 2582 CD2 PHE B 129 26.876 30.653 8.792 1.00 32.93 C ATOM 2583 CE1 PHE B 129 26.709 32.845 7.059 1.00 49.13 C ATOM 2584 CE2 PHE B 129 25.827 30.748 7.905 1.00 34.67 C ATOM 2585 CZ PHE B 129 25.720 31.848 7.037 1.00 58.09 C ATOM 2586 N GLU B 130 32.119 32.247 9.387 1.00 43.99 N ATOM 2587 CA GLU B 130 33.293 32.844 10.003 1.00 53.85 C ATOM 2588 C GLU B 130 33.232 34.367 9.853 1.00 49.92 C ATOM 2589 O GLU B 130 32.919 34.890 8.773 1.00 53.23 O ATOM 2590 CB GLU B 130 34.580 32.267 9.383 1.00 54.15 C ATOM 2591 CG GLU B 130 34.912 30.840 9.866 1.00113.02 C ATOM 2592 CD GLU B 130 35.950 30.125 9.012 1.00141.29 C ATOM 2593 OE1 GLU B 130 36.601 30.797 8.178 1.00 77.75 O ATOM 2594 OE2 GLU B 130 36.116 28.888 9.182 1.00 65.59 O ATOM 2595 N LYS B 131 33.453 35.062 10.965 1.00 45.91 N ATOM 2596 CA LYS B 131 33.651 36.506 10.965 1.00 51.15 C ATOM 2597 C LYS B 131 34.744 36.789 11.971 1.00 47.91 C ATOM 2598 O LYS B 131 34.625 36.434 13.155 1.00 61.79 O ATOM 2599 CB LYS B 131 32.381 37.276 11.328 1.00 67.94 C ATOM 2600 CG LYS B 131 31.525 37.686 10.143 1.00133.02 C ATOM 2601 CD LYS B 131 32.053 38.948 9.474 1.00 84.99 C ATOM 2602 CE LYS B 131 31.278 39.248 8.196 1.00173.54 C ATOM 2603 NZ LYS B 131 31.734 40.489 7.509 1.00 96.80 N ATOM 2604 N GLU B 132 35.815 37.410 11.479 1.00 74.26 N ATOM 2605 CA GLU B 132 36.999 37.694 12.276 1.00 82.50 C ATOM 2606 C GLU B 132 37.648 36.381 12.714 1.00 46.41 C ATOM 2607 O GLU B 132 37.999 35.541 11.869 1.00 67.63 O ATOM 2608 CB GLU B 132 36.651 38.580 13.481 1.00 82.31 C ATOM 2609 CG GLU B 132 36.116 39.960 13.109 1.00161.35 C ATOM 2610 CD GLU B 132 35.197 40.541 14.168 1.00185.85 C ATOM 2611 OE1 GLU B 132 34.135 39.935 14.435 1.00140.90 O ATOM 2612 OE2 GLU B 132 35.533 41.610 14.724 1.00134.93 O ATOM 2613 N ASN B 133 37.766 36.193 14.029 1.00 40.03 N ATOM 2614 CA ASN B 133 38.467 35.035 14.571 1.00 42.77 C ATOM 2615 C ASN B 133 37.493 33.977 15.116 1.00 36.49 C ATOM 2616 O ASN B 133 37.908 33.084 15.845 1.00 45.49 O ATOM 2617 CB ASN B 133 39.427 35.492 15.670 1.00 54.38 C ATOM 2618 CG ASN B 133 40.355 36.581 15.188 1.00115.04 C ATOM 2619 OD1 ASN B 133 40.587 36.704 13.991 1.00 56.53 O ATOM 2620 ND2 ASN B 133 40.865 37.389 16.100 1.00 47.13 N ATOM 2621 N ARG B 134 36.226 34.107 14.733 1.00 45.37 N ATOM 2622 CA ARG B 134 35.181 33.228 15.267 1.00 46.75 C ATOM 2623 C ARG B 134 34.456 32.400 14.220 1.00 40.39 C ATOM 2624 O ARG B 134 34.086 32.912 13.149 1.00 45.54 O ATOM 2625 CB ARG B 134 34.180 34.033 16.100 1.00 49.10 C ATOM 2626 CG ARG B 134 34.635 34.261 17.548 1.00 56.26 C ATOM 2627 CD ARG B 134 34.467 33.001 18.387 1.00177.99 C ATOM 2628 NE ARG B 134 34.904 33.185 19.769 1.00 84.74 N ATOM 2629 CZ ARG B 134 34.086 33.386 20.801 1.00218.64 C ATOM 2630 NH1 ARG B 134 32.766 33.434 20.629 1.00106.94 N ATOM 2631 NH2 ARG B 134 34.592 33.538 22.016 1.00156.38 N ATOM 2632 N ILE B 135 34.293 31.115 14.549 1.00 43.50 N ATOM 2633 CA ILE B 135 33.537 30.144 13.750 1.00 32.22 C ATOM 2634 C ILE B 135 32.170 29.913 14.477 1.00 39.45 C ATOM 2635 O ILE B 135 32.107 29.852 15.711 1.00 40.62 O ATOM 2636 CB ILE B 135 34.249 28.755 13.784 1.00 42.77 C ATOM 2637 CG1 ILE B 135 35.725 28.866 13.359 1.00 54.27 C ATOM 2638 CG2 ILE B 135 33.498 27.759 12.898 1.00 43.95 C ATOM 2639 CD1 ILE B 135 36.563 27.667 13.737 1.00 45.48 C ATOM 2640 N TRP B 136 31.105 29.808 13.703 1.00 44.00 N ATOM 2641 CA TRP B 136 29.833 29.309 14.238 1.00 31.59 C ATOM 2642 C TRP B 136 29.093 28.560 13.139 1.00 39.86 C ATOM 2643 O TRP B 136 29.520 28.535 11.980 1.00 38.81 O ATOM 2644 CB TRP B 136 29.000 30.439 14.857 1.00 33.32 C ATOM 2645 CG TRP B 136 28.383 31.376 13.890 1.00 30.58 C ATOM 2646 CD1 TRP B 136 27.114 31.324 13.374 1.00 38.97 C ATOM 2647 CD2 TRP B 136 28.977 32.573 13.350 1.00 38.99 C ATOM 2648 NE1 TRP B 136 26.901 32.376 12.522 1.00 45.29 N ATOM 2649 CE2 TRP B 136 28.021 33.163 12.497 1.00 38.97 C ATOM 2650 CE3 TRP B 136 30.235 33.181 13.490 1.00 43.20 C ATOM 2651 CZ2 TRP B 136 28.280 34.348 11.776 1.00 47.32 C ATOM 2652 CZ3 TRP B 136 30.490 34.373 12.775 1.00 44.18 C ATOM 2653 CH2 TRP B 136 29.517 34.932 11.932 1.00 49.44 C ATOM 2654 N THR B 137 27.966 27.964 13.520 1.00 39.38 N ATOM 2655 CA THR B 137 27.166 27.114 12.639 1.00 32.93 C ATOM 2656 C THR B 137 25.774 27.726 12.515 1.00 31.80 C ATOM 2657 O THR B 137 25.230 28.280 13.488 1.00 34.93 O ATOM 2658 CB THR B 137 27.086 25.707 13.237 1.00 41.80 C ATOM 2659 OG1 THR B 137 28.413 25.171 13.377 1.00 38.22 O ATOM 2660 CG2 THR B 137 26.232 24.746 12.353 1.00 36.28 C ATOM 2661 N VAL B 138 25.209 27.658 11.322 1.00 33.70 N ATOM 2662 CA VAL B 138 23.795 27.864 11.166 1.00 32.38 C ATOM 2663 C VAL B 138 23.213 26.538 10.682 1.00 38.12 C ATOM 2664 O VAL B 138 23.760 25.908 9.781 1.00 33.18 O ATOM 2665 CB VAL B 138 23.491 29.046 10.231 1.00 41.02 C ATOM 2666 CG1 VAL B 138 22.021 29.162 9.953 1.00 34.21 C ATOM 2667 CG2 VAL B 138 24.024 30.340 10.880 1.00 35.69 C ATOM 2668 N VAL B 139 22.161 26.076 11.353 1.00 29.21 N ATOM 2669 CA VAL B 139 21.399 24.943 10.825 1.00 28.66 C ATOM 2670 C VAL B 139 20.107 25.432 10.248 1.00 28.81 C ATOM 2671 O VAL B 139 19.417 26.212 10.891 1.00 32.96 O ATOM 2672 CB VAL B 139 21.053 23.962 11.948 1.00 28.19 C ATOM 2673 CG1 VAL B 139 20.209 22.797 11.357 1.00 28.00 C ATOM 2674 CG2 VAL B 139 22.319 23.447 12.590 1.00 29.18 C ATOM 2675 N LEU B 140 19.768 24.966 9.039 1.00 32.29 N ATOM 2676 CA LEU B 140 18.495 25.254 8.391 1.00 30.23 C ATOM 2677 C LEU B 140 17.702 23.934 8.338 1.00 34.23 C ATOM 2678 O LEU B 140 18.253 22.929 7.899 1.00 33.32 O ATOM 2679 CB LEU B 140 18.689 25.728 6.946 1.00 34.42 C ATOM 2680 CG LEU B 140 19.324 27.118 6.734 1.00 41.13 C ATOM 2681 CD1 LEU B 140 19.404 27.366 5.236 1.00 38.48 C ATOM 2682 CD2 LEU B 140 18.522 28.208 7.431 1.00 37.16 C ATOM 2683 N GLU B 141 16.446 23.952 8.772 1.00 28.08 N ATOM 2684 CA GLU B 141 15.555 22.788 8.628 1.00 26.43 C ATOM 2685 C GLU B 141 14.235 23.200 8.041 1.00 34.02 C ATOM 2686 O GLU B 141 13.589 24.127 8.531 1.00 33.15 O ATOM 2687 CB GLU B 141 15.316 22.106 10.005 1.00 28.25 C ATOM 2688 CG GLU B 141 14.507 20.787 9.927 1.00 33.95 C ATOM 2689 CD GLU B 141 14.480 19.974 11.234 1.00 59.63 C ATOM 2690 OE1 GLU B 141 13.726 18.981 11.285 1.00135.61 O ATOM 2691 OE2 GLU B 141 15.210 20.301 12.207 1.00 61.11 O ATOM 2692 N SER B 142 13.810 22.487 7.009 1.00 30.73 N ATOM 2693 CA SER B 142 12.494 22.753 6.408 1.00 29.69 C ATOM 2694 C SER B 142 11.664 21.487 6.286 1.00 31.59 C ATOM 2695 O SER B 142 12.183 20.354 6.316 1.00 31.16 O ATOM 2696 CB SER B 142 12.638 23.427 5.031 1.00 35.52 C ATOM 2697 OG SER B 142 13.315 22.577 4.112 1.00 35.92 O ATOM 2698 N TYR B 143 10.362 21.653 6.173 1.00 28.87 N ATOM 2699 CA TYR B 143 9.546 20.457 5.971 1.00 31.40 C ATOM 2700 C TYR B 143 8.419 20.811 5.051 1.00 35.79 C ATOM 2701 O TYR B 143 8.099 21.992 4.902 1.00 34.41 O ATOM 2702 CB TYR B 143 9.031 19.881 7.308 1.00 32.43 C ATOM 2703 CG TYR B 143 8.026 20.812 7.994 1.00 33.64 C ATOM 2704 CD1 TYR B 143 6.678 20.797 7.611 1.00 33.21 C ATOM 2705 CD2 TYR B 143 8.432 21.727 8.968 1.00 35.20 C ATOM 2706 CE1 TYR B 143 5.767 21.646 8.174 1.00 34.48 C ATOM 2707 CE2 TYR B 143 7.509 22.575 9.575 1.00 33.20 C ATOM 2708 CZ TYR B 143 6.177 22.537 9.160 1.00 32.21 C ATOM 2709 OH TYR B 143 5.236 23.389 9.704 1.00 41.07 O ATOM 2710 N VAL B 144 7.834 19.777 4.449 1.00 36.64 N ATOM 2711 CA VAL B 144 6.548 19.906 3.761 1.00 34.50 C ATOM 2712 C VAL B 144 5.657 18.769 4.281 1.00 33.59 C ATOM 2713 O VAL B 144 6.154 17.662 4.563 1.00 38.41 O ATOM 2714 CB VAL B 144 6.761 19.889 2.186 1.00 35.24 C ATOM 2715 CG1 VAL B 144 7.533 18.647 1.745 1.00 40.06 C ATOM 2716 CG2 VAL B 144 5.407 20.023 1.441 1.00 44.61 C ATOM 2717 N VAL B 145 4.352 19.027 4.417 1.00 34.08 N ATOM 2718 CA VAL B 145 3.450 18.035 4.941 1.00 34.07 C ATOM 2719 C VAL B 145 2.045 18.291 4.391 1.00 38.16 C ATOM 2720 O VAL B 145 1.753 19.403 3.979 1.00 46.72 O ATOM 2721 CB VAL B 145 3.488 18.033 6.518 1.00 42.51 C ATOM 2722 CG1 VAL B 145 2.871 19.309 7.125 1.00 42.62 C ATOM 2723 CG2 VAL B 145 2.845 16.766 7.105 1.00 44.15 C ATOM 2724 N ASP B 146 1.220 17.246 4.373 1.00 41.04 N ATOM 2725 CA ASP B 146 -0.164 17.352 3.902 1.00 44.60 C ATOM 2726 C ASP B 146 -1.090 17.818 5.013 1.00 58.09 C ATOM 2727 O ASP B 146 -1.034 17.320 6.138 1.00 52.66 O ATOM 2728 CB ASP B 146 -0.637 16.019 3.333 1.00 48.85 C ATOM 2729 CG ASP B 146 0.077 15.643 2.039 1.00 55.77 C ATOM 2730 OD1 ASP B 146 0.876 16.455 1.503 1.00 69.09 O ATOM 2731 OD2 ASP B 146 -0.163 14.519 1.562 1.00 67.98 O ATOM 2732 N MET B 147 -1.942 18.783 4.691 1.00 62.33 N ATOM 2733 CA MET B 147 -2.915 19.295 5.650 1.00 67.30 C ATOM 2734 C MET B 147 -4.160 18.409 5.679 1.00109.08 C ATOM 2735 O MET B 147 -4.487 17.768 4.672 1.00 83.31 O ATOM 2736 CB MET B 147 -3.273 20.740 5.312 1.00 69.62 C ATOM 2737 CG MET B 147 -2.052 21.559 4.926 1.00 50.14 C ATOM 2738 SD MET B 147 -2.372 23.178 4.191 1.00133.43 S ATOM 2739 CE MET B 147 -3.825 22.883 3.182 1.00168.50 C ATOM 2740 N PRO B 148 -4.836 18.330 6.843 1.00115.62 N ATOM 2741 CA PRO B 148 -6.154 17.708 6.867 1.00137.51 C ATOM 2742 C PRO B 148 -7.113 18.513 5.988 1.00154.62 C ATOM 2743 O PRO B 148 -7.613 17.981 4.996 1.00102.69 O ATOM 2744 CB PRO B 148 -6.556 17.774 8.347 1.00115.96 C ATOM 2745 CG PRO B 148 -5.276 17.936 9.083 1.00133.56 C ATOM 2746 CD PRO B 148 -4.427 18.776 8.186 1.00105.56 C ATOM 2747 N GLU B 149 -7.335 19.784 6.337 1.00131.53 N ATOM 2748 CA GLU B 149 -8.127 20.706 5.510 1.00140.64 C ATOM 2749 C GLU B 149 -7.448 22.071 5.351 1.00140.58 C ATOM 2750 O GLU B 149 -6.270 22.226 5.678 1.00196.80 O ATOM 2751 CB GLU B 149 -9.551 20.873 6.063 1.00128.52 C ATOM 2752 CG GLU B 149 -10.427 19.608 6.047 1.00161.52 C ATOM 2753 CD GLU B 149 -10.315 18.776 4.764 1.00227.81 C ATOM 2754 OE1 GLU B 149 -10.417 17.536 4.868 1.00108.95 O ATOM 2755 OE2 GLU B 149 -10.112 19.338 3.661 1.00 75.61 O ATOM 2756 N GLY B 150 -8.195 23.051 4.840 1.00171.08 N ATOM 2757 CA GLY B 150 -7.690 24.413 4.654 1.00168.65 C ATOM 2758 C GLY B 150 -7.722 25.259 5.918 1.00190.23 C ATOM 2759 O GLY B 150 -6.905 26.169 6.084 1.00168.75 O ATOM 2760 N ASN B 151 -8.672 24.958 6.800 1.00216.99 N ATOM 2761 CA ASN B 151 -8.820 25.646 8.087 1.00220.75 C ATOM 2762 C ASN B 151 -7.969 25.022 9.194 1.00215.65 C ATOM 2763 O ASN B 151 -7.507 25.717 10.106 1.00182.81 O ATOM 2764 CB ASN B 151 -10.294 25.679 8.510 1.00210.33 C ATOM 2765 CG ASN B 151 -11.009 24.354 8.265 1.00203.57 C ATOM 2766 OD1 ASN B 151 -10.493 23.279 8.582 1.00152.00 O ATOM 2767 ND2 ASN B 151 -12.208 24.430 7.697 1.00 98.90 N ATOM 2768 N SER B 152 -7.778 23.707 9.102 1.00214.27 N ATOM 2769 CA SER B 152 -6.954 22.949 10.042 1.00158.05 C ATOM 2770 C SER B 152 -5.495 22.878 9.583 1.00150.93 C ATOM 2771 O SER B 152 -4.689 22.130 10.153 1.00113.58 O ATOM 2772 CB SER B 152 -7.523 21.538 10.226 1.00182.02 C ATOM 2773 OG SER B 152 -7.560 20.832 8.997 1.00 95.82 O ATOM 2774 N GLU B 153 -5.167 23.658 8.550 1.00 72.49 N ATOM 2775 CA GLU B 153 -3.806 23.721 8.025 1.00118.26 C ATOM 2776 C GLU B 153 -2.913 24.472 9.004 1.00137.05 C ATOM 2777 O GLU B 153 -1.761 24.075 9.259 1.00 59.03 O ATOM 2778 CB GLU B 153 -3.794 24.364 6.627 1.00 96.33 C ATOM 2779 CG GLU B 153 -3.587 25.884 6.543 1.00157.48 C ATOM 2780 CD GLU B 153 -2.182 26.267 6.096 1.00145.07 C ATOM 2781 OE1 GLU B 153 -1.228 26.114 6.888 1.00 75.24 O ATOM 2782 OE2 GLU B 153 -2.035 26.732 4.947 1.00146.24 O ATOM 2783 N ASP B 154 -3.470 25.539 9.573 1.00 80.53 N ATOM 2784 CA ASP B 154 -2.737 26.387 10.493 1.00 71.28 C ATOM 2785 C ASP B 154 -2.328 25.629 11.747 1.00 97.69 C ATOM 2786 O ASP B 154 -1.275 25.917 12.325 1.00 56.78 O ATOM 2787 CB ASP B 154 -3.536 27.643 10.830 1.00 90.56 C ATOM 2788 CG ASP B 154 -3.413 28.710 9.758 1.00159.67 C ATOM 2789 OD1 ASP B 154 -2.283 28.927 9.262 1.00 91.36 O ATOM 2790 OD2 ASP B 154 -4.441 29.331 9.411 1.00193.66 O ATOM 2791 N ASP B 155 -3.137 24.645 12.141 1.00 46.29 N ATOM 2792 CA ASP B 155 -2.842 23.860 13.342 1.00 51.24 C ATOM 2793 C ASP B 155 -1.727 22.865 13.121 1.00 47.91 C ATOM 2794 O ASP B 155 -0.853 22.717 13.985 1.00 41.75 O ATOM 2795 CB ASP B 155 -4.063 23.119 13.837 1.00 50.41 C ATOM 2796 CG ASP B 155 -5.178 24.047 14.219 1.00160.35 C ATOM 2797 OD1 ASP B 155 -4.975 25.276 14.178 1.00 48.62 O ATOM 2798 OD2 ASP B 155 -6.259 23.550 14.559 1.00 57.65 O ATOM 2799 N THR B 156 -1.779 22.167 11.983 1.00 43.80 N ATOM 2800 CA THR B 156 -0.693 21.260 11.574 1.00 50.18 C ATOM 2801 C THR B 156 0.641 22.004 11.473 1.00 42.12 C ATOM 2802 O THR B 156 1.644 21.542 11.999 1.00 38.45 O ATOM 2803 CB THR B 156 -0.989 20.538 10.245 1.00 66.24 C ATOM 2804 OG1 THR B 156 -1.387 21.494 9.255 1.00104.80 O ATOM 2805 CG2 THR B 156 -2.098 19.529 10.435 1.00 43.01 C ATOM 2806 N ARG B 157 0.649 23.142 10.783 1.00 36.73 N ATOM 2807 CA AARG B 157 1.828 23.986 10.669 0.50 33.12 C ATOM 2808 CA BARG B 157 1.849 23.970 10.665 0.50 40.68 C ATOM 2809 C ARG B 157 2.279 24.502 12.038 1.00 39.43 C ATOM 2810 O ARG B 157 3.473 24.522 12.362 1.00 37.88 O ATOM 2811 CB AARG B 157 1.494 25.166 9.762 0.50 43.80 C ATOM 2812 CB BARG B 157 1.588 25.144 9.711 0.50 39.83 C ATOM 2813 CG AARG B 157 2.679 25.951 9.274 0.50 44.39 C ATOM 2814 CG BARG B 157 2.674 25.425 8.662 0.50 64.34 C ATOM 2815 CD AARG B 157 2.237 27.137 8.440 0.50 66.58 C ATOM 2816 CD BARG B 157 2.219 26.540 7.702 0.50 67.50 C ATOM 2817 NE AARG B 157 3.253 27.512 7.461 0.50 67.56 N ATOM 2818 NE BARG B 157 2.738 26.383 6.336 0.50113.28 N ATOM 2819 CZ AARG B 157 4.395 28.130 7.750 0.50 68.93 C ATOM 2820 CZ BARG B 157 2.198 26.944 5.251 0.50102.32 C ATOM 2821 NH1AARG B 157 4.700 28.454 9.003 0.50 44.73 N ATOM 2822 NH1BARG B 157 1.110 27.697 5.361 0.50 92.81 N ATOM 2823 NH2AARG B 157 5.241 28.422 6.775 0.50 43.37 N ATOM 2824 NH2BARG B 157 2.733 26.738 4.045 0.50 34.78 N ATOM 2825 N MET B 158 1.316 24.928 12.850 1.00 40.67 N ATOM 2826 CA MET B 158 1.620 25.418 14.191 1.00 37.78 C ATOM 2827 C MET B 158 2.272 24.310 15.061 1.00 34.02 C ATOM 2828 O MET B 158 3.268 24.586 15.763 1.00 39.59 O ATOM 2829 CB MET B 158 0.340 25.926 14.863 1.00 35.43 C ATOM 2830 CG MET B 158 0.637 26.922 15.940 1.00 43.78 C ATOM 2831 SD MET B 158 -0.905 27.602 16.603 1.00 70.56 S ATOM 2832 CE MET B 158 -1.851 27.849 15.096 1.00 49.97 C ATOM 2833 N PHE B 159 1.733 23.089 14.997 1.00 32.00 N ATOM 2834 CA PHE B 159 2.273 21.988 15.761 1.00 32.36 C ATOM 2835 C PHE B 159 3.678 21.654 15.269 1.00 30.58 C ATOM 2836 O PHE B 159 4.641 21.652 16.042 1.00 28.66 O ATOM 2837 CB PHE B 159 1.361 20.743 15.696 1.00 31.98 C ATOM 2838 CG PHE B 159 1.977 19.514 16.303 1.00 41.30 C ATOM 2839 CD1 PHE B 159 2.039 19.357 17.681 1.00 34.19 C ATOM 2840 CD2 PHE B 159 2.507 18.523 15.487 1.00 32.32 C ATOM 2841 CE1 PHE B 159 2.670 18.231 18.260 1.00 35.84 C ATOM 2842 CE2 PHE B 159 3.110 17.400 16.025 1.00 38.44 C ATOM 2843 CZ PHE B 159 3.187 17.244 17.411 1.00 33.65 C ATOM 2844 N ALA B 160 3.803 21.352 13.986 1.00 31.28 N ATOM 2845 CA ALA B 160 5.094 20.964 13.449 1.00 33.56 C ATOM 2846 C ALA B 160 6.143 22.075 13.648 1.00 32.41 C ATOM 2847 O ALA B 160 7.295 21.781 13.974 1.00 27.44 O ATOM 2848 CB ALA B 160 4.957 20.565 11.975 1.00 28.45 C ATOM 2849 N ASP B 161 5.759 23.338 13.469 1.00 33.36 N ATOM 2850 CA ASP B 161 6.677 24.476 13.717 1.00 29.93 C ATOM 2851 C ASP B 161 7.173 24.479 15.162 1.00 27.98 C ATOM 2852 O ASP B 161 8.353 24.748 15.403 1.00 29.06 O ATOM 2853 CB ASP B 161 5.983 25.816 13.478 1.00 33.28 C ATOM 2854 CG ASP B 161 5.937 26.216 12.016 1.00 49.87 C ATOM 2855 OD1 ASP B 161 6.446 25.460 11.157 1.00 43.46 O ATOM 2856 OD2 ASP B 161 5.372 27.298 11.725 1.00 42.40 O ATOM 2857 N THR B 162 6.281 24.122 16.104 1.00 31.50 N ATOM 2858 CA THR B 162 6.647 24.174 17.511 1.00 29.07 C ATOM 2859 C THR B 162 7.710 23.128 17.761 1.00 25.29 C ATOM 2860 O THR B 162 8.726 23.457 18.342 1.00 28.19 O ATOM 2861 CB THR B 162 5.443 23.984 18.459 1.00 31.45 C ATOM 2862 OG1 THR B 162 4.467 24.986 18.132 1.00 34.69 O ATOM 2863 CG2 THR B 162 5.878 24.262 19.920 1.00 31.44 C ATOM 2864 N VAL B 163 7.509 21.909 17.271 1.00 27.01 N ATOM 2865 CA VAL B 163 8.442 20.802 17.542 1.00 28.53 C ATOM 2866 C VAL B 163 9.778 21.101 16.868 1.00 25.87 C ATOM 2867 O VAL B 163 10.844 20.927 17.471 1.00 26.61 O ATOM 2868 CB VAL B 163 7.847 19.440 17.047 1.00 27.50 C ATOM 2869 CG1 VAL B 163 8.868 18.293 17.131 1.00 31.92 C ATOM 2870 CG2 VAL B 163 6.607 19.100 17.898 1.00 27.26 C ATOM 2871 N VAL B 164 9.733 21.514 15.611 1.00 26.11 N ATOM 2872 CA VAL B 164 10.982 21.750 14.885 1.00 27.20 C ATOM 2873 C VAL B 164 11.790 22.830 15.604 1.00 26.99 C ATOM 2874 O VAL B 164 12.985 22.651 15.831 1.00 26.16 O ATOM 2875 CB VAL B 164 10.741 22.131 13.400 1.00 30.96 C ATOM 2876 CG1 VAL B 164 12.074 22.599 12.766 1.00 28.94 C ATOM 2877 CG2 VAL B 164 10.125 20.965 12.635 1.00 27.57 C ATOM 2878 N LYS B 165 11.168 23.964 15.938 1.00 24.56 N ATOM 2879 CA ALYS B 165 11.880 25.017 16.687 0.50 27.69 C ATOM 2880 CA BLYS B 165 11.842 25.034 16.691 0.50 18.77 C ATOM 2881 C LYS B 165 12.479 24.510 17.986 1.00 28.81 C ATOM 2882 O LYS B 165 13.656 24.811 18.295 1.00 29.59 O ATOM 2883 CB ALYS B 165 10.971 26.183 16.986 0.50 22.25 C ATOM 2884 CB BLYS B 165 10.846 26.151 16.980 0.50 47.71 C ATOM 2885 CG ALYS B 165 10.507 26.923 15.785 0.50 28.65 C ATOM 2886 CG BLYS B 165 11.433 27.386 17.625 0.50 30.77 C ATOM 2887 CD ALYS B 165 9.715 28.140 16.269 0.50 35.87 C ATOM 2888 CD BLYS B 165 10.417 28.512 17.624 0.50 35.40 C ATOM 2889 CE ALYS B 165 9.277 29.052 15.157 0.50 76.39 C ATOM 2890 CE BLYS B 165 10.813 29.688 18.505 0.50 57.57 C ATOM 2891 NZ ALYS B 165 8.109 28.465 14.487 0.50 48.10 N ATOM 2892 NZ BLYS B 165 12.049 30.382 18.080 0.50 46.22 N ATOM 2893 N LEU B 166 11.706 23.718 18.750 1.00 25.68 N ATOM 2894 CA LEU B 166 12.209 23.149 20.003 1.00 24.67 C ATOM 2895 C LEU B 166 13.378 22.213 19.777 1.00 26.64 C ATOM 2896 O LEU B 166 14.362 22.249 20.546 1.00 26.10 O ATOM 2897 CB LEU B 166 11.095 22.385 20.739 1.00 25.97 C ATOM 2898 CG LEU B 166 10.034 23.189 21.486 1.00 27.37 C ATOM 2899 CD1 LEU B 166 8.828 22.282 21.857 1.00 31.92 C ATOM 2900 CD2 LEU B 166 10.655 23.806 22.738 1.00 38.54 C ATOM 2901 N ASN B 167 13.301 21.385 18.727 1.00 23.45 N ATOM 2902 CA ASN B 167 14.353 20.394 18.486 1.00 24.08 C ATOM 2903 C ASN B 167 15.654 21.141 18.037 1.00 27.31 C ATOM 2904 O ASN B 167 16.759 20.788 18.389 1.00 27.51 O ATOM 2905 CB ASN B 167 13.898 19.419 17.420 1.00 21.62 C ATOM 2906 CG ASN B 167 12.879 18.418 17.978 1.00 26.61 C ATOM 2907 OD1 ASN B 167 12.726 18.311 19.194 1.00 28.59 O ATOM 2908 ND2 ASN B 167 12.237 17.680 17.097 1.00 31.48 N ATOM 2909 N LEU B 168 15.490 22.229 17.308 1.00 25.05 N ATOM 2910 CA LEU B 168 16.694 23.001 16.901 1.00 26.26 C ATOM 2911 C LEU B 168 17.337 23.692 18.094 1.00 32.15 C ATOM 2912 O LEU B 168 18.555 23.813 18.166 1.00 27.17 O ATOM 2913 CB LEU B 168 16.325 24.057 15.850 1.00 26.33 C ATOM 2914 CG LEU B 168 16.116 23.480 14.433 1.00 27.56 C ATOM 2915 CD1 LEU B 168 15.595 24.554 13.484 1.00 31.90 C ATOM 2916 CD2 LEU B 168 17.436 22.887 13.855 1.00 34.06 C ATOM 2917 N GLN B 169 16.529 24.137 19.049 1.00 27.79 N ATOM 2918 CA AGLN B 169 17.028 24.705 20.302 0.50 33.28 C ATOM 2919 CA BGLN B 169 17.119 24.733 20.257 0.50 21.74 C ATOM 2920 C GLN B 169 17.784 23.648 21.100 1.00 25.45 C ATOM 2921 O GLN B 169 18.839 23.892 21.680 1.00 31.59 O ATOM 2922 CB AGLN B 169 15.847 25.239 21.120 0.50 20.97 C ATOM 2923 CB BGLN B 169 16.094 25.539 21.073 0.50 63.12 C ATOM 2924 CG AGLN B 169 15.289 26.549 20.579 0.50 22.92 C ATOM 2925 CG BGLN B 169 16.664 26.274 22.314 0.50 44.25 C ATOM 2926 CD AGLN B 169 14.170 27.115 21.441 0.50 39.31 C ATOM 2927 CD BGLN B 169 17.997 27.036 22.052 0.50 31.95 C ATOM 2928 OE1AGLN B 169 13.327 26.384 21.962 0.50 27.73 O ATOM 2929 OE1BGLN B 169 19.058 26.637 22.542 0.50 21.14 O ATOM 2930 NE2AGLN B 169 14.156 28.433 21.585 0.50 63.51 N ATOM 2931 NE2BGLN B 169 17.935 28.113 21.266 0.50 44.06 N ATOM 2932 N LYS B 170 17.229 22.426 21.148 1.00 26.03 N ATOM 2933 CA LYS B 170 17.924 21.391 21.864 1.00 22.56 C ATOM 2934 C LYS B 170 19.229 21.014 21.162 1.00 28.10 C ATOM 2935 O LYS B 170 20.269 20.823 21.842 1.00 32.01 O ATOM 2936 CB LYS B 170 17.034 20.137 22.030 1.00 29.61 C ATOM 2937 CG LYS B 170 17.776 18.969 22.719 1.00 31.75 C ATOM 2938 CD LYS B 170 16.848 17.772 23.014 1.00 36.54 C ATOM 2939 CE LYS B 170 17.642 16.546 23.508 1.00 39.89 C ATOM 2940 NZ LYS B 170 16.788 15.329 23.772 1.00 32.53 N ATOM 2941 N LEU B 171 19.208 20.923 19.823 1.00 27.84 N ATOM 2942 CA LEU B 171 20.422 20.741 19.042 1.00 26.19 C ATOM 2943 C LEU B 171 21.512 21.771 19.434 1.00 27.65 C ATOM 2944 O LEU B 171 22.654 21.390 19.709 1.00 30.21 O ATOM 2945 CB LEU B 171 20.120 20.896 17.563 1.00 23.09 C ATOM 2946 CG LEU B 171 21.316 20.657 16.599 1.00 29.08 C ATOM 2947 CD1 LEU B 171 22.060 19.277 16.841 1.00 28.82 C ATOM 2948 CD2 LEU B 171 20.892 20.835 15.186 1.00 28.48 C ATOM 2949 N ALA B 172 21.134 23.058 19.450 1.00 30.19 N ATOM 2950 CA ALA B 172 22.065 24.139 19.870 1.00 30.10 C ATOM 2951 C ALA B 172 22.629 23.913 21.276 1.00 35.99 C ATOM 2952 O ALA B 172 23.833 23.956 21.473 1.00 36.19 O ATOM 2953 CB ALA B 172 21.358 25.503 19.742 1.00 30.45 C ATOM 2954 N THR B 173 21.764 23.647 22.253 1.00 28.14 N ATOM 2955 CA ATHR B 173 22.208 23.446 23.626 0.50 30.39 C ATOM 2956 CA BTHR B 173 22.174 23.421 23.637 0.50 35.22 C ATOM 2957 C THR B 173 23.127 22.224 23.756 1.00 42.33 C ATOM 2958 O THR B 173 24.177 22.299 24.423 1.00 39.11 O ATOM 2959 CB ATHR B 173 21.017 23.387 24.636 0.50 40.85 C ATOM 2960 CB BTHR B 173 20.931 23.238 24.570 0.50 23.64 C ATOM 2961 OG1ATHR B 173 20.298 22.161 24.470 0.50 58.48 O ATOM 2962 OG1BTHR B 173 19.974 24.274 24.308 0.50 54.60 O ATOM 2963 CG2ATHR B 173 20.063 24.568 24.423 0.50 20.04 C ATOM 2964 CG2BTHR B 173 21.328 23.291 26.029 0.50 41.80 C ATOM 2965 N VAL B 174 22.773 21.113 23.101 1.00 31.43 N ATOM 2966 CA VAL B 174 23.562 19.888 23.150 1.00 31.96 C ATOM 2967 C VAL B 174 24.941 20.064 22.476 1.00 31.70 C ATOM 2968 O VAL B 174 25.951 19.618 23.047 1.00 40.77 O ATOM 2969 CB VAL B 174 22.833 18.674 22.480 1.00 31.22 C ATOM 2970 CG1 VAL B 174 23.793 17.483 22.163 1.00 40.89 C ATOM 2971 CG2 VAL B 174 21.669 18.198 23.346 1.00 25.53 C ATOM 2972 N ALA B 175 24.968 20.665 21.295 1.00 34.38 N ATOM 2973 CA ALA B 175 26.237 20.887 20.547 1.00 32.09 C ATOM 2974 C ALA B 175 27.144 21.843 21.330 1.00 53.56 C ATOM 2975 O ALA B 175 28.345 21.595 21.495 1.00 41.40 O ATOM 2976 CB ALA B 175 25.962 21.465 19.165 1.00 30.95 C ATOM 2977 N GLU B 176 26.560 22.937 21.810 1.00 37.24 N ATOM 2978 CA GLU B 176 27.307 23.884 22.687 1.00 37.70 C ATOM 2979 C GLU B 176 27.871 23.217 23.944 1.00 45.00 C ATOM 2980 O GLU B 176 29.026 23.456 24.307 1.00 47.42 O ATOM 2981 CB GLU B 176 26.492 25.143 22.969 1.00 35.23 C ATOM 2982 CG GLU B 176 26.336 25.986 21.709 1.00 34.20 C ATOM 2983 CD GLU B 176 25.297 27.074 21.766 1.00 47.47 C ATOM 2984 OE1 GLU B 176 24.682 27.326 22.837 1.00 49.71 O ATOM 2985 OE2 GLU B 176 25.088 27.697 20.705 1.00 39.49 O ATOM 2986 N ALA B 177 27.094 22.354 24.583 1.00 39.64 N ATOM 2987 CA ALA B 177 27.564 21.613 25.756 1.00 41.57 C ATOM 2988 C ALA B 177 28.665 20.589 25.445 1.00 74.47 C ATOM 2989 O ALA B 177 29.564 20.392 26.256 1.00 56.36 O ATOM 2990 CB ALA B 177 26.397 20.951 26.505 1.00 45.61 C ATOM 2991 N MET B 178 28.591 19.937 24.282 1.00 47.37 N ATOM 2992 CA MET B 178 29.623 18.973 23.867 1.00 45.30 C ATOM 2993 C MET B 178 30.934 19.647 23.502 1.00 52.58 C ATOM 2994 O MET B 178 32.011 19.084 23.677 1.00 55.25 O ATOM 2995 CB MET B 178 29.156 18.148 22.680 1.00 41.82 C ATOM 2996 CG MET B 178 28.267 16.990 23.061 1.00 62.94 C ATOM 2997 SD MET B 178 27.591 16.282 21.553 1.00 64.13 S ATOM 2998 CE MET B 178 29.043 15.473 20.868 1.00 78.27 C ATOM 2999 N ALA B 179 30.830 20.856 22.982 1.00 43.35 N ATOM 3000 CA ALA B 179 31.995 21.625 22.575 1.00 51.80 C ATOM 3001 C ALA B 179 32.812 22.118 23.781 1.00 77.88 C ATOM 3002 O ALA B 179 34.042 22.172 23.721 1.00 84.54 O ATOM 3003 CB ALA B 179 31.567 22.789 21.711 1.00 42.71 C ATOM 3004 N ARG B 180 32.121 22.487 24.858 1.00 66.61 N ATOM 3005 CA ARG B 180 32.771 22.889 26.115 1.00 64.93 C ATOM 3006 C ARG B 180 33.494 21.721 26.779 1.00 97.79 C ATOM 3007 O ARG B 180 34.676 21.825 27.115 1.00147.68 O ATOM 3008 CB ARG B 180 31.749 23.451 27.109 1.00 45.48 C ATOM 3009 CG ARG B 180 31.092 24.769 26.701 1.00 83.19 C ATOM 3010 CD ARG B 180 30.382 25.422 27.887 1.00102.27 C ATOM 3011 NE ARG B 180 29.509 24.485 28.595 1.00 77.44 N ATOM 3012 CZ ARG B 180 28.206 24.337 28.365 1.00230.39 C ATOM 3013 NH1 ARG B 180 27.589 25.076 27.446 1.00 54.22 N ATOM 3014 NH2 ARG B 180 27.512 23.447 29.063 1.00 70.92 N ATOM 3015 N ASN B 181 32.770 20.615 26.965 1.00 72.39 N ATOM 3016 CA ASN B 181 33.282 19.424 27.649 1.00 94.20 C ATOM 3017 C ASN B 181 34.381 18.679 26.886 1.00 98.05 C ATOM 3018 O ASN B 181 35.113 17.877 27.471 1.00156.78 O ATOM 3019 CB ASN B 181 32.134 18.468 27.993 1.00134.46 C ATOM 3020 CG ASN B 181 31.160 19.056 29.003 1.00174.89 C ATOM 3021 OD1 ASN B 181 30.796 20.234 28.931 1.00105.05 O ATOM 3022 ND2 ASN B 181 30.725 18.232 29.948 1.00258.64 N ATOM 3023 N SER B 182 34.487 18.941 25.586 1.00110.25 N ATOM 3024 CA SER B 182 35.572 18.397 24.772 1.00125.58 C ATOM 3025 C SER B 182 36.866 19.164 25.030 1.00153.84 C ATOM 3026 O SER B 182 37.949 18.574 25.054 1.00194.19 O ATOM 3027 CB SER B 182 35.217 18.459 23.288 1.00 54.82 C ATOM 3028 OG SER B 182 36.131 17.702 22.513 1.00180.54 O ATOM 3029 N GLY B 183 36.741 20.477 25.218 1.00127.53 N ATOM 3030 CA GLY B 183 37.882 21.342 25.506 1.00147.43 C ATOM 3031 C GLY B 183 38.430 21.125 26.903 1.00163.84 C ATOM 3032 O GLY B 183 39.560 20.662 27.071 1.00179.13 O ATOM 3033 N ASP B 184 37.619 21.457 27.904 1.00172.89 N ATOM 3034 CA ASP B 184 38.005 21.300 29.304 1.00183.10 C ATOM 3035 C ASP B 184 37.133 20.265 30.009 1.00169.85 C ATOM 3036 O ASP B 184 37.610 19.519 30.864 1.00125.62 O ATOM 3037 CB ASP B 184 37.929 22.643 30.039 1.00202.56 C ATOM 3038 CG ASP B 184 38.945 23.655 29.527 1.00216.88 C ATOM 3039 OD1 ASP B 184 40.095 23.265 29.220 1.00161.47 O ATOM 3040 OD2 ASP B 184 38.593 24.851 29.442 1.00172.18 O TER 3041 ASP B 184 HETATM 3042 C1 A8S B1001 10.752 15.899 13.650 1.00 47.63 C HETATM 3043 C2 A8S B1001 9.501 16.705 13.547 1.00 36.73 C HETATM 3044 C3 A8S B1001 8.287 16.401 14.056 1.00 41.35 C HETATM 3045 C4 A8S B1001 8.071 15.181 14.860 1.00 33.95 C HETATM 3046 C5 A8S B1001 6.851 14.818 15.304 1.00 33.83 C HETATM 3047 C6 A8S B1001 7.128 17.347 13.791 1.00 37.91 C HETATM 3048 C7 A8S B1001 6.618 13.556 16.093 1.00 37.39 C HETATM 3049 O7 A8S B1001 7.841 12.838 16.322 1.00 34.10 O HETATM 3050 C8 A8S B1001 6.144 14.079 17.439 1.00 32.95 C HETATM 3051 C9 A8S B1001 4.836 14.151 17.715 1.00 33.63 C HETATM 3052 C10 A8S B1001 3.832 13.758 16.696 1.00 36.96 C HETATM 3053 O10 A8S B1001 2.656 13.752 17.005 1.00 45.75 O HETATM 3054 C11 A8S B1001 4.255 13.353 15.297 1.00 29.58 C HETATM 3055 O11 A8S B1001 11.800 16.267 13.035 1.00 42.58 O HETATM 3056 C12 A8S B1001 5.598 12.625 15.384 1.00 31.29 C HETATM 3057 O12 A8S B1001 10.763 14.827 14.286 1.00 48.60 O HETATM 3058 C13 A8S B1001 7.139 14.551 18.463 1.00 29.73 C HETATM 3059 C14 A8S B1001 5.478 11.303 16.159 1.00 33.52 C HETATM 3060 C15 A8S B1001 6.050 12.219 13.974 1.00 31.00 C HETATM 3247 O HOH B 192 13.950 14.401 2.854 1.00 29.37 O HETATM 3248 O HOH B 193 11.463 18.546 2.948 1.00 36.34 O HETATM 3249 O HOH B 194 31.246 15.430 6.856 1.00 58.51 O HETATM 3250 O HOH B 195 18.563 11.775 13.344 1.00 39.91 O HETATM 3251 O HOH B 196 17.279 23.110 24.900 1.00 41.98 O HETATM 3252 O HOH B 197 22.449 12.198 17.261 1.00 38.11 O HETATM 3253 O HOH B 198 15.075 30.324 -2.422 1.00 62.81 O HETATM 3254 O HOH B 199 14.757 22.866 23.529 1.00 36.31 O HETATM 3255 O HOH B 200 12.921 18.208 14.459 1.00 39.22 O HETATM 3256 O HOH B 201 25.179 35.244 20.289 1.00 72.91 O HETATM 3257 O HOH B 202 14.254 28.014 14.730 1.00 38.36 O HETATM 3258 O HOH B 203 24.866 22.237 4.008 1.00 38.55 O HETATM 3259 O HOH B 204 6.319 31.910 15.652 1.00105.54 O HETATM 3260 O HOH B 205 6.073 29.370 14.088 1.00 80.00 O HETATM 3261 O HOH B 206 9.092 28.977 9.795 1.00 78.98 O HETATM 3262 O HOH B 208 8.747 26.149 19.754 1.00 40.91 O HETATM 3263 O HOH B 209 24.830 24.187 26.279 1.00 44.01 O HETATM 3264 O HOH B 210 15.570 16.547 8.302 1.00 33.94 O HETATM 3265 O HOH B 211 14.815 7.026 0.708 1.00 35.67 O HETATM 3266 O HOH B 212 20.685 0.680 5.194 1.00 33.61 O HETATM 3267 O HOH B 213 39.149 40.021 11.248 1.00 62.41 O HETATM 3268 O HOH B 214 11.949 17.704 10.885 1.00 43.91 O HETATM 3269 O HOH B 215 14.890 26.990 17.262 1.00 34.56 O HETATM 3270 O HOH B 216 9.163 27.426 -0.273 1.00 56.84 O HETATM 3271 O HOH B 217 22.948 29.136 20.097 1.00 44.37 O HETATM 3272 O HOH B 218 2.669 8.705 23.064 1.00 55.04 O HETATM 3273 O HOH B 219 2.053 10.785 22.309 1.00 55.08 O HETATM 3274 O HOH B 220 0.929 13.520 14.937 1.00 70.40 O HETATM 3275 O HOH B 221 9.874 12.164 14.379 1.00 48.92 O HETATM 3276 O HOH B 222 14.014 19.709 -0.252 1.00 55.38 O HETATM 3277 O HOH B 223 9.999 18.170 -1.469 1.00 67.77 O HETATM 3278 O HOH B 224 17.952 12.446 8.552 1.00 33.72 O HETATM 3279 O HOH B 225 12.452 1.850 20.440 1.00 47.32 O HETATM 3280 O HOH B 226 15.979 13.486 12.189 1.00 39.09 O HETATM 3281 O HOH B 227 9.981 2.140 24.185 1.00 36.52 O HETATM 3282 O HOH B 228 7.402 8.084 0.690 1.00 48.09 O HETATM 3283 O HOH B 229 16.279 4.144 22.041 1.00 36.67 O HETATM 3284 O HOH B 230 29.207 25.403 4.929 1.00 47.22 O HETATM 3285 O HOH B 231 26.141 2.625 9.630 1.00 60.19 O HETATM 3286 O HOH B 232 4.897 12.491 -0.862 1.00 79.48 O HETATM 3287 O HOH B 233 11.662 0.635 10.671 1.00 66.39 O HETATM 3288 O HOH B 234 31.519 32.876 6.329 1.00 47.59 O HETATM 3289 O HOH B 235 21.393 14.762 24.213 1.00 40.30 O HETATM 3290 O HOH B 236 23.509 6.415 1.272 1.00 47.31 O HETATM 3291 O HOH B 237 9.262 3.844 1.790 1.00 37.77 O HETATM 3292 O HOH B 238 7.923 -0.821 11.149 1.00 96.59 O HETATM 3293 O HOH B 239 28.739 22.760 5.778 1.00 53.34 O HETATM 3294 O HOH B 240 19.653 11.929 10.768 1.00 35.46 O HETATM 3295 O HOH B 241 10.765 15.571 18.314 1.00 41.32 O HETATM 3296 O HOH B 242 6.883 0.470 16.817 1.00 39.25 O HETATM 3297 O HOH B 243 15.067 21.869 -5.860 1.00 74.02 O HETATM 3298 O HOH B 244 -5.073 20.001 -3.432 1.00 70.40 O HETATM 3299 O HOH B 245 33.350 17.004 14.795 1.00 79.34 O HETATM 3300 O HOH B 246 34.109 19.834 15.737 1.00 66.02 O HETATM 3301 O HOH B 247 18.024 3.806 16.972 1.00 54.53 O HETATM 3302 O HOH B 248 12.420 11.555 14.700 1.00 46.38 O HETATM 3303 O HOH B 249 18.356 13.608 25.148 1.00 49.73 O HETATM 3304 O HOH B 250 16.907 14.858 9.667 1.00 32.00 O HETATM 3305 O HOH B 251 16.477 -0.227 7.488 1.00 43.21 O HETATM 3306 O HOH B 252 16.414 -0.085 10.117 1.00 51.54 O HETATM 3307 O HOH B 253 28.161 2.077 -1.768 1.00 64.08 O HETATM 3308 O HOH B 254 5.544 3.277 13.656 1.00 52.41 O HETATM 3309 O HOH B 255 -0.150 8.588 23.216 1.00 67.46 O HETATM 3310 O HOH B 256 6.712 3.354 2.185 1.00 58.54 O HETATM 3311 O HOH B 257 2.534 8.477 8.229 1.00 58.04 O HETATM 3312 O HOH B 258 3.054 9.631 5.816 1.00 50.16 O HETATM 3313 O HOH B 259 17.396 17.526 11.906 1.00 52.70 O HETATM 3314 O HOH B 260 30.981 30.819 17.869 1.00 57.69 O HETATM 3315 O HOH B 261 18.983 29.116 25.695 1.00 76.69 O HETATM 3316 O HOH B 262 11.753 30.210 22.649 1.00 50.65 O HETATM 3317 O HOH B 263 14.655 0.612 21.698 1.00 60.44 O HETATM 3318 O HOH B 264 24.589 13.947 24.187 1.00 73.23 O HETATM 3319 O HOH B 265 7.649 3.040 15.913 1.00 47.56 O HETATM 3320 O HOH B 266 33.574 22.924 5.152 1.00 58.95 O HETATM 3321 O HOH B 267 21.617 -1.119 2.980 1.00 39.46 O HETATM 3322 O HOH B 268 4.372 25.306 -0.562 1.00 81.58 O HETATM 3323 O HOH B 269 18.977 15.459 11.557 1.00 36.53 O HETATM 3324 O HOH B 270 21.864 2.093 16.667 1.00 52.92 O HETATM 3325 O HOH B 271 6.452 11.276 3.959 1.00 36.49 O HETATM 3326 O HOH B 272 25.704 17.647 24.997 1.00 49.77 O HETATM 3327 O HOH B 273 11.298 1.096 18.301 1.00 37.79 O HETATM 3328 O HOH B 274 3.542 28.501 13.334 1.00 57.19 O HETATM 3329 O HOH B 275 8.945 11.201 0.764 1.00 47.04 O HETATM 3330 O HOH B 276 10.907 2.140 3.284 1.00 56.53 O HETATM 3331 O HOH B 277 32.073 17.216 9.027 1.00 48.44 O HETATM 3332 O HOH B 278 10.860 27.249 20.788 1.00 63.84 O HETATM 3333 O HOH B 279 30.930 12.929 8.445 1.00 57.32 O HETATM 3334 O HOH B 280 18.016 -0.344 17.395 1.00 45.87 O HETATM 3335 O HOH B 281 28.257 11.266 1.886 1.00 49.49 O HETATM 3336 O HOH B 282 30.799 13.404 10.967 1.00 56.68 O HETATM 3337 O HOH B 283 10.817 24.021 9.414 1.00 46.02 O HETATM 3338 O HOH B 284 22.794 33.732 18.514 1.00 57.86 O HETATM 3339 O HOH B 285 28.066 10.767 13.419 1.00 38.59 O HETATM 3340 O HOH B 286 31.615 16.093 11.099 1.00 48.55 O HETATM 3341 O HOH B 287 25.621 35.987 13.281 1.00 62.26 O HETATM 3342 O HOH B 288 24.771 41.145 8.365 1.00 71.25 O HETATM 3343 O HOH B 289 0.569 2.266 14.936 1.00 74.16 O HETATM 3344 O HOH B 290 11.899 17.673 0.347 1.00 45.16 O HETATM 3345 O HOH B 291 27.925 29.830 4.693 1.00 87.11 O HETATM 3346 O HOH B 292 -6.194 19.083 12.352 1.00 62.78 O HETATM 3347 O HOH B 293 24.732 11.416 18.100 1.00 66.40 O HETATM 3348 O HOH B 294 17.327 31.320 -2.174 1.00 54.84 O HETATM 3349 O HOH B 295 30.508 11.584 12.875 1.00 58.57 O HETATM 3350 O HOH B 296 28.497 5.707 9.482 1.00 86.76 O HETATM 3351 O HOH B 297 10.394 13.921 16.774 1.00 51.21 O HETATM 3352 O HOH B 298 33.951 36.591 20.359 1.00 87.54 O HETATM 3353 O HOH B 299 34.712 33.828 24.612 1.00 92.32 O HETATM 3354 O HOH B 300 28.725 13.657 17.988 1.00 69.62 O HETATM 3355 O HOH B 301 20.223 -2.377 15.717 1.00 59.02 O HETATM 3356 O HOH B 302 32.378 18.528 4.996 1.00 75.21 O HETATM 3357 O HOH B 303 16.110 36.808 9.110 1.00 86.52 O HETATM 3358 O HOH B 304 14.119 41.818 14.228 1.00 75.29 O HETATM 3359 O HOH B 305 10.983 40.199 14.846 1.00 83.20 O HETATM 3360 O HOH B 306 17.021 19.430 15.146 1.00 69.31 O HETATM 3361 O HOH B 307 13.489 28.516 19.090 1.00 50.69 O HETATM 3362 O HOH B 308 17.779 20.661 26.192 1.00 61.22 O HETATM 3363 O HOH B 309 0.212 25.873 1.345 1.00 77.96 O HETATM 3364 O HOH B 310 12.497 42.819 16.372 1.00 98.80 O HETATM 3365 O HOH B 311 14.212 40.996 17.433 1.00 82.93 O HETATM 3366 O HOH B 312 6.402 27.805 16.779 1.00 50.08 O HETATM 3367 O HOH B 313 13.685 30.359 12.060 1.00 45.92 O HETATM 3368 O HOH B 314 12.402 29.422 14.250 1.00 77.51 O HETATM 3369 O HOH B 315 19.174 31.691 19.225 1.00 68.53 O HETATM 3370 O HOH B 316 -1.073 28.689 -2.131 1.00 75.78 O HETATM 3371 O HOH B 317 14.178 32.190 9.224 1.00 85.80 O HETATM 3372 O HOH B 318 27.198 26.110 3.562 1.00 57.40 O HETATM 3373 O HOH B 319 11.307 32.898 18.818 1.00 76.43 O HETATM 3374 O HOH B 320 15.768 5.064 -1.078 1.00 51.68 O HETATM 3375 O HOH B 321 -7.001 21.259 14.776 1.00 57.07 O HETATM 3376 O HOH B 322 -1.474 4.444 24.151 1.00 76.73 O HETATM 3377 O HOH B 323 4.898 8.611 28.331 1.00 58.09 O HETATM 3378 O HOH B 324 20.747 26.959 -5.531 1.00 82.52 O HETATM 3379 O HOH B 325 8.920 29.509 6.616 1.00 62.11 O HETATM 3380 O HOH B 326 35.495 24.060 12.454 1.00 55.39 O HETATM 3381 O HOH B 327 31.848 31.024 21.586 1.00 60.00 O HETATM 3382 O HOH B 328 15.327 34.161 10.609 1.00 85.29 O HETATM 3383 O HOH B 329 16.242 6.004 24.310 1.00 64.24 O HETATM 3384 O HOH B 330 28.474 9.133 15.330 1.00 64.49 O HETATM 3385 O HOH B 331 21.109 9.870 22.935 1.00 70.16 O HETATM 3386 O HOH B 332 13.758 12.962 23.430 1.00 34.12 O HETATM 3387 O HOH B 333 0.161 9.847 9.928 1.00 77.15 O HETATM 3388 O HOH B 334 9.813 11.685 -1.714 1.00 40.52 O HETATM 3389 O HOH B 335 7.795 10.171 -3.004 1.00 45.63 O HETATM 3390 O HOH B 336 4.054 27.631 15.899 1.00 48.56 O HETATM 3391 O HOH B 337 23.955 37.310 15.065 1.00 66.82 O HETATM 3392 O HOH B 338 14.359 26.714 -5.998 1.00 65.36 O HETATM 3393 O HOH B 339 -3.069 8.073 10.324 1.00 85.74 O HETATM 3394 O HOH B 340 -1.672 8.430 7.404 1.00116.06 O HETATM 3395 O HOH B 341 30.110 25.977 23.759 1.00 69.86 O HETATM 3396 O HOH B 342 9.418 29.817 21.070 1.00 76.40 O HETATM 3397 O HOH B 343 4.481 23.048 0.056 1.00 61.56 O HETATM 3398 O HOH B 344 9.136 26.705 3.089 1.00 67.61 O HETATM 3399 O HOH B 345 13.332 -0.284 12.715 1.00 65.87 O HETATM 3400 O HOH B 346 -0.922 9.588 20.435 1.00 60.11 O HETATM 3401 O HOH B 347 22.232 11.065 -0.145 1.00 37.13 O HETATM 3402 O HOH B 348 22.731 16.136 -1.448 1.00 71.39 O HETATM 3403 O HOH B 349 4.306 16.088 1.595 1.00 57.70 O HETATM 3404 O HOH B 350 1.262 5.853 24.774 1.00 55.89 O HETATM 3405 O HOH B 351 18.664 33.474 1.426 1.00 71.97 O HETATM 3406 O HOH B 352 24.231 32.154 -1.346 1.00 61.38 O HETATM 3407 O HOH B 353 23.806 28.722 0.098 1.00 60.96 O HETATM 3408 O HOH B 354 20.453 29.685 -6.323 1.00 75.62 O HETATM 3409 O HOH B 355 14.309 23.558 -2.808 1.00 55.52 O HETATM 3410 O HOH B 356 25.574 7.601 19.099 1.00 82.05 O HETATM 3411 O HOH B 357 16.127 12.031 24.571 1.00 76.34 O HETATM 3412 O HOH B 358 15.117 9.217 24.990 1.00 48.30 O HETATM 3413 O HOH B 359 21.324 6.367 23.135 1.00 68.63 O HETATM 3414 O HOH B 360 18.802 6.389 24.222 1.00 71.14 O HETATM 3415 O HOH B 361 24.711 9.541 20.799 1.00 71.53 O HETATM 3416 O HOH B 362 13.252 1.756 2.204 1.00 35.84 O HETATM 3417 O HOH B 363 20.060 -2.983 3.317 1.00 70.97 O HETATM 3418 O HOH B 364 10.159 -1.943 15.733 1.00 50.09 O HETATM 3419 O HOH B 365 12.679 -2.771 18.493 1.00 61.78 O HETATM 3420 O HOH B 366 7.257 7.369 28.144 1.00 58.94 O HETATM 3421 O HOH B 367 5.750 6.027 1.890 1.00 65.52 O HETATM 3422 O HOH B 368 6.126 10.486 1.259 1.00 59.00 O HETATM 3423 O HOH B 369 -3.286 8.988 15.670 1.00 75.99 O HETATM 3424 O HOH B 370 5.177 16.877 -0.857 1.00 62.94 O HETATM 3425 O HOH B 371 32.180 37.020 15.555 1.00 82.94 O HETATM 3426 O HOH B 372 36.751 37.248 8.550 1.00 98.03 O HETATM 3427 O HOH B 373 32.449 25.292 4.975 1.00 70.39 O HETATM 3428 O HOH B 374 6.379 13.015 1.121 1.00 51.74 O HETATM 3429 O HOH B 375 8.603 14.055 -2.506 1.00 59.70 O HETATM 3430 O HOH B 376 24.659 26.686 25.451 1.00 53.22 O HETATM 3431 O HOH B 377 12.463 11.505 -1.918 1.00 65.64 O HETATM 3432 O HOH B 378 14.278 13.622 -1.412 1.00 66.97 O HETATM 3433 O HOH B 379 25.137 36.139 17.355 1.00 71.46 O HETATM 3434 O HOH B 380 34.553 24.313 3.517 1.00 90.20 O HETATM 3435 O HOH B 381 18.390 -1.189 5.784 1.00 54.89 O HETATM 3436 O HOH B 382 14.905 16.734 12.121 1.00 41.56 O HETATM 3437 O HOH B 383 18.283 4.321 19.784 1.00 48.41 O HETATM 3438 O HOH B 384 31.314 30.391 3.963 1.00 99.07 O HETATM 3439 O HOH B 385 33.583 29.920 6.214 1.00 86.99 O HETATM 3440 O HOH B 386 35.019 21.933 6.551 1.00 71.82 O CONECT 3042 3043 3055 3057 CONECT 3052 3051 3053 3054 CONECT 3054 3052 3056 CONECT 3056 3048 3054 3059 3060 CONECT 3058 3050 CONECT 3059 3056 CONECT 3060 3056 CONECT 3043 3042 3044 CONECT 3044 3043 3045 3047 CONECT 3045 3044 3046 CONECT 3046 3045 3048 CONECT 3047 3044 CONECT 3048 3046 3049 3050 3056 CONECT 3050 3048 3051 3058 CONECT 3051 3050 3052 CONECT 3053 3052 CONECT 3055 3042 CONECT 3057 3042 CONECT 3049 3048 END If you find results from this site helpful for your research, please cite one of our papers:
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