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*** SUGAR BINDING PROTEIN 10-SEP-10 2XR5 ***elNémo ID: 240511163828700048Job options:ID = 240511163828700048 JOBID = SUGAR BINDING PROTEIN 10-SEP-10 2XR5 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 SUGAR BINDING PROTEIN 10-SEP-10 2XR5 TITLE CRYSTAL STRUCTURE OF THE COMPLEX OF THE CARBOHYDRATE RECOGNITION TITLE 2 DOMAIN OF HUMAN DC-SIGN WITH PSEUDO DIMANNOSIDE MIMIC. COMPND MOL_ID: 1; COMPND 2 MOLECULE: CD209 ANTIGEN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CARBOHYDRATE RECOGNITION DOMAIN, RESIDUES 254-404; COMPND 5 SYNONYM: DC-SIGN, DENDRITIC CELL-SPECIFIC ICAM-3-GRABBING NON- COMPND 6 INTEGRIN 1, DC-SIGN1, C-TYPE LECTIN DOMAIN FAMILY 4 MEMBER L, CD209, COMPND 7 MDC-SIGN1A TYPE I; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PASK-IBA7PLUS KEYWDS SUGAR BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR M.THEPAUT,I.SUITKEVICIUTE,S.SATTIN,J.REINA,A.BERNARDI,F.FIESCHI REVDAT 7 20-DEC-23 2XR5 1 REMARK REVDAT 6 15-NOV-23 2XR5 1 HETSYN LINK ATOM REVDAT 5 29-JUL-20 2XR5 1 COMPND REMARK HETNAM LINK REVDAT 5 2 1 SITE REVDAT 4 06-MAR-19 2XR5 1 REMARK LINK REVDAT 3 30-JAN-19 2XR5 1 REMARK REVDAT 2 25-DEC-13 2XR5 1 JRNL REVDAT 1 19-OCT-11 2XR5 0 JRNL AUTH M.THEPAUT,C.GUZZI,I.SUTKEVICIUTE,S.SATTIN,R.RIBEIRO-VIANA, JRNL AUTH 2 N.VARGA,E.CHABROL,J.ROJO,A.BERNARDI,J.ANGULO,P.M.NIETO, JRNL AUTH 3 F.FIESCHI JRNL TITL STRUCTURE OF A GLYCOMIMETIC LIGAND IN THE CARBOHYDRATE JRNL TITL 2 RECOGNITION DOMAIN OF C-TYPE LECTIN DC-SIGN. STRUCTURAL JRNL TITL 3 REQUIREMENTS FOR SELECTIVITY AND LIGAND DESIGN. JRNL REF J.AM.CHEM.SOC. V. 135 2518 2013 JRNL REFN ISSN 0002-7863 JRNL PMID 23360500 JRNL DOI 10.1021/JA3053305 REMARK 2 REMARK 2 RESOLUTION. 1.42 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.5.0109 REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, REMARK 3 : NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.42 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 42.41 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 24628 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) : 0.150 REMARK 3 R VALUE (WORKING SET) : 0.148 REMARK 3 FREE R VALUE : 0.171 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1297 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) : 1.42 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.46 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1672 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.0 REMARK 3 BIN R VALUE (WORKING SET) : 0.1750 REMARK 3 BIN FREE R VALUE SET COUNT : 88 REMARK 3 BIN FREE R VALUE : 0.2140 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1064 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 36 REMARK 3 SOLVENT ATOMS : 166 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 13.13 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.08000 REMARK 3 B22 (A**2) : 0.08000 REMARK 3 B33 (A**2) : -0.17000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.059 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.059 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.033 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 0.843 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.967 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.962 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1291 ; 0.016 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1779 ; 1.553 ; 1.915 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 176 ; 6.865 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 72 ;38.118 ;25.417 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 208 ;13.676 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 5 ;17.542 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 179 ; 0.114 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1040 ; 0.014 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 621 ; 0.269 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 843 ; 0.317 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 125 ; 0.201 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 5 ; 0.048 ; 0.200 REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 59 ; 0.244 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 13 ; 0.231 ; 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): 738 ; 1.497 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1194 ; 2.659 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 553 ; 3.554 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 561 ; 4.978 ; 4.500 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS. U VALUES REFINED INDIVIDUALLY. REMARK 4 REMARK 4 2XR5 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 10-SEP-10. REMARK 100 THE DEPOSITION ID IS D_1290045251. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 23-NOV-08 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID29 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9809 REMARK 200 MONOCHROMATOR : CHANNEL-CUT SILICON REMARK 200 MONOCHROMATOR REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 25925 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.420 REMARK 200 RESOLUTION RANGE LOW (A) : 42.410 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.4 REMARK 200 DATA REDUNDANCY : 25.40 REMARK 200 R MERGE (I) : 0.13000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 28.6700 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.42 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.46 REMARK 200 COMPLETENESS FOR SHELL (%) : 92.4 REMARK 200 DATA REDUNDANCY IN SHELL : 7.22 REMARK 200 R MERGE FOR SHELL (I) : 0.58000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 5.560 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 2IT6 REMARK 200 REMARK 200 REMARK: NONE REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 31.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.80 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: VAPOR DIFFUSION, HANGING DROP, 293K. REMARK 280 20% PEG 3350, 200 MM NACL, 100 MM CACODYLATE PH 6.5, REMARK 280 CRYOPROTECTED IN PARATONE-N. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 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 26.33500 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 35.72500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 35.72500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 39.50250 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 35.72500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 35.72500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 13.16750 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 35.72500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 35.72500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 39.50250 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 35.72500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 35.72500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 13.16750 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 26.33500 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 A2009 LIES ON A SPECIAL POSITION. REMARK 375 HOH A2070 LIES ON A SPECIAL POSITION. REMARK 375 HOH A2133 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 239 REMARK 465 ALA A 240 REMARK 465 SER A 241 REMARK 465 TRP A 242 REMARK 465 SER A 243 REMARK 465 HIS A 244 REMARK 465 PRO A 245 REMARK 465 GLN A 246 REMARK 465 PHE A 247 REMARK 465 GLU A 248 REMARK 465 LYS A 249 REMARK 465 ILE A 250 REMARK 465 GLU A 251 REMARK 465 GLY A 252 REMARK 465 ARG A 253 REMARK 465 SER A 385 REMARK 465 ARG A 386 REMARK 465 ASP A 387 REMARK 465 GLU A 388 REMARK 465 GLU A 389 REMARK 465 GLN A 390 REMARK 465 PHE A 391 REMARK 465 LEU A 392 REMARK 465 SER A 393 REMARK 465 PRO A 394 REMARK 465 ALA A 395 REMARK 465 PRO A 396 REMARK 465 ALA A 397 REMARK 465 THR A 398 REMARK 465 PRO A 399 REMARK 465 ASN A 400 REMARK 465 PRO A 401 REMARK 465 PRO A 402 REMARK 465 PRO A 403 REMARK 465 ALA A 404 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 NE2 GLN A 341 O HOH A 2108 1.81 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLU A 259 -20.82 86.68 REMARK 500 GLU A 353 102.96 79.14 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 A2156 DISTANCE = 6.97 ANGSTROMS REMARK 600 REMARK 600 HETEROGEN REMARK 600 REMARK 600 THE PSEUDO DIMANNOSIDE MIMIC COMPOSED OF RESIDUES A1384-A1386 REMARK 600 IS DIMETHYL (1S,2S,4S,5S)-4-(1-ALPHA-D-MANNOPYRANOSYL)-5-(2- REMARK 600 AMINO-1-ETHYLOXY)-CYCLOHEXANE-1,2-DICARBOXYLATE REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A1388 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 320 OD2 REMARK 620 2 ASP A 320 OD1 49.7 REMARK 620 3 GLU A 324 OE1 82.4 100.1 REMARK 620 4 GLU A 324 OE2 71.8 119.6 53.0 REMARK 620 5 ASN A 350 OD1 147.5 162.1 82.1 76.0 REMARK 620 6 GLU A 354 O 127.3 90.5 145.7 144.2 78.5 REMARK 620 7 ASP A 355 OD1 115.4 76.2 74.3 126.1 87.4 76.8 REMARK 620 8 HOH A2147 O 84.2 106.4 130.9 77.9 84.7 75.1 151.8 REMARK 620 N 1 2 3 4 5 6 7 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A1389 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 324 OE1 REMARK 620 2 GLU A 353 OE1 90.5 REMARK 620 3 ASP A 355 OD1 71.0 95.0 REMARK 620 4 ASP A 355 OD2 116.6 114.5 50.7 REMARK 620 5 HOH A2066 O 87.5 164.6 98.8 79.8 REMARK 620 6 HOH A2131 O 89.7 79.5 160.0 148.8 85.3 REMARK 620 7 HOH A2135 O 167.3 84.8 121.1 76.0 93.9 77.9 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A1387 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 347 OE1 REMARK 620 2 ASN A 349 OD1 72.9 REMARK 620 3 GLU A 354 OE1 144.1 74.1 REMARK 620 4 ASN A 365 OD1 68.8 140.6 145.3 REMARK 620 5 ASP A 366 O 128.8 141.8 73.8 73.7 REMARK 620 6 ASP A 366 OD1 72.5 84.2 90.7 92.9 76.0 REMARK 620 7 MAN A1384 O3 133.0 119.2 76.5 82.4 72.0 147.7 REMARK 620 8 MAN A1384 O4 73.1 79.8 114.1 80.6 132.9 145.0 65.9 REMARK 620 N 1 2 3 4 5 6 7 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2B6B RELATED DB: PDB REMARK 900 CRYO EM STRUCTURE OF DENGUE COMPLEXED WITH CRD OF DC -SIGN REMARK 900 RELATED ID: 2XR6 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF THE CARBOHYDRATE RECOGNITION REMARK 900 DOMAIN OF HUMAN DC-SIGN WITH PSEUDO TRIMANNOSIDE MIMIC. REMARK 900 RELATED ID: 1SL4 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF DC-SIGN CARBOHYDRATE RECOGNITIONDOMAIN REMARK 900 COMPLEXED WITH MAN4 REMARK 900 RELATED ID: 1K9I RELATED DB: PDB REMARK 900 COMPLEX OF DC-SIGN AND GLCNAC2MAN3 REMARK 900 RELATED ID: 1SL5 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF DC-SIGN CARBOHYDRATE RECOGNITIONDOMAIN REMARK 900 COMPLEXED WITH LNFP III (DEXTRA L504). REMARK 999 REMARK 999 SEQUENCE REMARK 999 SEQUENCE NUMBERING CORRESPONDS TO ISOFORM 1 (MDC-SIGN1A TYPE I). REMARK 999 THE SIXTEEN RESIDUES INSERTED AT THE N-TERMINUS (MASWSHPQFEKIEGRM) REMARK 999 COME FROM THE EXPRESSION PLASMID. DBREF 2XR5 A 254 404 UNP Q9NNX6 CD209_HUMAN 254 404 SEQADV 2XR5 MET A 239 UNP Q9NNX6 EXPRESSION TAG SEQADV 2XR5 ALA A 240 UNP Q9NNX6 EXPRESSION TAG SEQADV 2XR5 SER A 241 UNP Q9NNX6 EXPRESSION TAG SEQADV 2XR5 TRP A 242 UNP Q9NNX6 EXPRESSION TAG SEQADV 2XR5 SER A 243 UNP Q9NNX6 EXPRESSION TAG SEQADV 2XR5 HIS A 244 UNP Q9NNX6 EXPRESSION TAG SEQADV 2XR5 PRO A 245 UNP Q9NNX6 EXPRESSION TAG SEQADV 2XR5 GLN A 246 UNP Q9NNX6 EXPRESSION TAG SEQADV 2XR5 PHE A 247 UNP Q9NNX6 EXPRESSION TAG SEQADV 2XR5 GLU A 248 UNP Q9NNX6 EXPRESSION TAG SEQADV 2XR5 LYS A 249 UNP Q9NNX6 EXPRESSION TAG SEQADV 2XR5 ILE A 250 UNP Q9NNX6 EXPRESSION TAG SEQADV 2XR5 GLU A 251 UNP Q9NNX6 EXPRESSION TAG SEQADV 2XR5 GLY A 252 UNP Q9NNX6 EXPRESSION TAG SEQADV 2XR5 ARG A 253 UNP Q9NNX6 EXPRESSION TAG SEQRES 1 A 166 MET ALA SER TRP SER HIS PRO GLN PHE GLU LYS ILE GLU SEQRES 2 A 166 GLY ARG HIS PRO CYS PRO TRP GLU TRP THR PHE PHE GLN SEQRES 3 A 166 GLY ASN CYS TYR PHE MET SER ASN SER GLN ARG ASN TRP SEQRES 4 A 166 HIS ASP SER ILE THR ALA CYS LYS GLU VAL GLY ALA GLN SEQRES 5 A 166 LEU VAL VAL ILE LYS SER ALA GLU GLU GLN ASN PHE LEU SEQRES 6 A 166 GLN LEU GLN SER SER ARG SER ASN ARG PHE THR TRP MET SEQRES 7 A 166 GLY LEU SER ASP LEU ASN GLN GLU GLY THR TRP GLN TRP SEQRES 8 A 166 VAL ASP GLY SER PRO LEU LEU PRO SER PHE LYS GLN TYR SEQRES 9 A 166 TRP ASN ARG GLY GLU PRO ASN ASN VAL GLY GLU GLU ASP SEQRES 10 A 166 CYS ALA GLU PHE SER GLY ASN GLY TRP ASN ASP ASP LYS SEQRES 11 A 166 CYS ASN LEU ALA LYS PHE TRP ILE CYS LYS LYS SER ALA SEQRES 12 A 166 ALA SER CYS SER ARG ASP GLU GLU GLN PHE LEU SER PRO SEQRES 13 A 166 ALA PRO ALA THR PRO ASN PRO PRO PRO ALA HET MAN A1384 12 HET 07B A1385 14 HET ETA A1386 4 HET CA A1387 1 HET CA A1388 1 HET CA A1389 1 HET CL A1390 1 HET CL A1391 1 HET CL A1392 1 HETNAM MAN ALPHA-D-MANNOPYRANOSE HETNAM 07B DIMETHYL (1S,2S,4S,5S)-4,5-DIHYDROXYCYCLOHEXANE-1,2- HETNAM 2 07B DICARBOXYLATE HETNAM ETA ETHANOLAMINE HETNAM CA CALCIUM ION HETNAM CL CHLORIDE ION HETSYN MAN ALPHA-D-MANNOSE; D-MANNOSE; MANNOSE FORMUL 2 MAN C6 H12 O6 FORMUL 3 07B C10 H16 O6 FORMUL 4 ETA C2 H7 N O FORMUL 5 CA 3(CA 2+) FORMUL 8 CL 3(CL 1-) FORMUL 11 HOH *166(H2 O) HELIX 1 1 ASN A 276 VAL A 287 1 12 HELIX 2 2 SER A 296 ASN A 311 1 16 HELIX 3 3 LEU A 336 TYR A 342 5 7 HELIX 4 4 ALA A 382 CYS A 384 5 3 SHEET 1 AA 5 THR A 261 PHE A 263 0 SHEET 2 AA 5 ASN A 266 MET A 270 -1 O ASN A 266 N PHE A 263 SHEET 3 AA 5 PHE A 374 SER A 380 -1 O CYS A 377 N PHE A 269 SHEET 4 AA 5 THR A 314 GLN A 323 1 O TRP A 315 N ILE A 376 SHEET 5 AA 5 THR A 326 TRP A 329 1 O THR A 326 N GLN A 323 SHEET 1 AB 4 THR A 261 PHE A 263 0 SHEET 2 AB 4 ASN A 266 MET A 270 -1 O ASN A 266 N PHE A 263 SHEET 3 AB 4 PHE A 374 SER A 380 -1 O CYS A 377 N PHE A 269 SHEET 4 AB 4 GLN A 290 LEU A 291 -1 O GLN A 290 N LYS A 378 SHEET 1 AC 2 THR A 326 TRP A 329 0 SHEET 2 AC 2 THR A 314 GLN A 323 1 O SER A 319 N GLN A 328 SHEET 1 AD 6 THR A 261 PHE A 263 0 SHEET 2 AD 6 ASN A 266 MET A 270 -1 O ASN A 266 N PHE A 263 SHEET 3 AD 6 PHE A 374 SER A 380 -1 O CYS A 377 N PHE A 269 SHEET 4 AD 6 THR A 314 GLN A 323 1 O TRP A 315 N ILE A 376 SHEET 5 AD 6 CYS A 356 SER A 360 -1 O ALA A 357 N MET A 316 SHEET 6 AD 6 GLY A 363 ASP A 367 -1 O GLY A 363 N SER A 360 SSBOND 1 CYS A 256 CYS A 267 1555 1555 2.10 SSBOND 2 CYS A 284 CYS A 377 1555 1555 2.14 SSBOND 3 CYS A 356 CYS A 369 1555 1555 2.02 LINK O1 MAN A1384 CBJ 07B A1385 1555 1555 1.44 LINK CBK 07B A1385 O ETA A1386 1555 1555 1.43 LINK OD2 ASP A 320 CA CA A1388 1555 1555 2.54 LINK OD1 ASP A 320 CA CA A1388 1555 1555 2.56 LINK OE1 GLU A 324 CA CA A1388 1555 1555 2.41 LINK OE2 GLU A 324 CA CA A1388 1555 1555 2.54 LINK OE1 GLU A 324 CA CA A1389 1555 1555 2.36 LINK OE1 GLU A 347 CA CA A1387 1555 1555 2.52 LINK OD1 ASN A 349 CA CA A1387 1555 1555 2.40 LINK OD1 ASN A 350 CA CA A1388 1555 1555 2.40 LINK OE1 GLU A 353 CA CA A1389 1555 1555 2.36 LINK OE1 GLU A 354 CA CA A1387 1555 1555 2.40 LINK O GLU A 354 CA CA A1388 1555 1555 2.42 LINK OD1 ASP A 355 CA CA A1388 1555 1555 2.34 LINK OD1 ASP A 355 CA CA A1389 1555 1555 2.57 LINK OD2 ASP A 355 CA CA A1389 1555 1555 2.53 LINK OD1 ASN A 365 CA CA A1387 1555 1555 2.39 LINK O ASP A 366 CA CA A1387 1555 1555 2.45 LINK OD1 ASP A 366 CA CA A1387 1555 1555 2.35 LINK O3 MAN A1384 CA CA A1387 1555 1555 2.52 LINK O4 MAN A1384 CA CA A1387 1555 1555 2.43 LINK CA CA A1388 O HOH A2147 1555 1555 2.39 LINK CA CA A1389 O HOH A2066 1555 1555 2.37 LINK CA CA A1389 O HOH A2131 1555 1555 2.41 LINK CA CA A1389 O HOH A2135 1555 1555 2.35 CISPEP 1 GLU A 347 PRO A 348 0 -5.81 CRYST1 71.450 71.450 52.670 90.00 90.00 90.00 P 43 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.013996 0.000000 0.000000 0.00000 SCALE2 0.000000 0.013996 0.000000 0.00000 SCALE3 0.000000 0.000000 0.018986 0.00000 ATOM 1 N HIS A 254 8.821 21.840 -11.510 1.00 24.19 N ATOM 2 CA HIS A 254 7.933 21.396 -10.373 1.00 22.20 C ATOM 3 C HIS A 254 7.879 22.458 -9.253 1.00 21.33 C ATOM 4 O HIS A 254 8.102 22.163 -8.076 1.00 18.01 O ATOM 5 CB HIS A 254 8.390 20.030 -9.806 1.00 21.80 C ATOM 6 CG HIS A 254 8.411 18.914 -10.810 1.00 21.32 C ATOM 7 ND1 HIS A 254 9.305 17.870 -10.730 1.00 17.86 N ATOM 8 CD2 HIS A 254 7.645 18.666 -11.905 1.00 20.45 C ATOM 9 CE1 HIS A 254 9.118 17.041 -11.745 1.00 20.41 C ATOM 10 NE2 HIS A 254 8.138 17.519 -12.492 1.00 22.36 N ATOM 11 N PRO A 255 7.572 23.707 -9.604 1.00 19.47 N ATOM 12 CA PRO A 255 7.524 24.681 -8.541 1.00 18.20 C ATOM 13 C PRO A 255 6.378 24.374 -7.554 1.00 16.20 C ATOM 14 O PRO A 255 5.315 23.872 -7.920 1.00 16.43 O ATOM 15 CB PRO A 255 7.281 26.005 -9.294 1.00 15.48 C ATOM 16 CG PRO A 255 6.519 25.607 -10.477 1.00 21.88 C ATOM 17 CD PRO A 255 7.096 24.257 -10.889 1.00 20.52 C ATOM 18 N CYS A 256 6.586 24.718 -6.303 1.00 13.50 N ATOM 19 CA CYS A 256 5.491 24.684 -5.353 1.00 15.16 C ATOM 20 C CYS A 256 4.538 25.842 -5.613 1.00 15.81 C ATOM 21 O CYS A 256 4.971 26.923 -6.010 1.00 18.67 O ATOM 22 CB CYS A 256 6.057 24.733 -3.928 1.00 12.69 C ATOM 23 SG CYS A 256 7.032 23.246 -3.513 1.00 11.22 S ANISOU 23 SG CYS A 256 1367 1664 1231 94 123 209 S ATOM 24 N PRO A 257 3.272 25.655 -5.247 1.00 18.62 N ATOM 25 CA PRO A 257 2.327 26.728 -5.497 1.00 19.88 C ATOM 26 C PRO A 257 2.437 27.865 -4.505 1.00 19.00 C ATOM 27 O PRO A 257 3.073 27.717 -3.451 1.00 13.65 O ATOM 28 CB PRO A 257 0.962 26.052 -5.380 1.00 22.80 C ATOM 29 CG PRO A 257 1.163 24.715 -4.833 1.00 23.66 C ATOM 30 CD PRO A 257 2.647 24.391 -4.863 1.00 19.45 C ATOM 31 N TRP A 258 1.737 28.956 -4.821 1.00 17.89 N ATOM 32 CA ATRP A 258 1.649 30.146 -3.991 0.50 19.00 C ATOM 33 CA BTRP A 258 1.698 30.136 -3.972 0.50 18.18 C ATOM 34 C TRP A 258 1.475 29.730 -2.555 1.00 17.93 C ATOM 35 O TRP A 258 0.557 28.959 -2.246 1.00 16.63 O ATOM 36 CB ATRP A 258 0.417 30.964 -4.430 0.50 20.82 C ATOM 37 CB BTRP A 258 0.607 31.147 -4.396 0.50 19.22 C ATOM 38 CG ATRP A 258 0.502 32.466 -4.253 0.50 26.60 C ATOM 39 CG BTRP A 258 0.172 32.128 -3.292 0.50 24.44 C ATOM 40 CD1ATRP A 258 0.349 33.169 -3.086 0.50 32.56 C ATOM 41 CD1BTRP A 258 0.966 33.039 -2.632 0.50 27.68 C ATOM 42 CD2ATRP A 258 0.575 33.447 -5.299 0.50 32.15 C ATOM 43 CD2BTRP A 258 -1.152 32.299 -2.754 0.50 26.53 C ATOM 44 NE1ATRP A 258 0.413 34.525 -3.334 0.50 32.64 N ATOM 45 NE1BTRP A 258 0.217 33.755 -1.723 0.50 30.24 N ATOM 46 CE2ATRP A 258 0.545 34.721 -4.684 0.50 32.34 C ATOM 47 CE2BTRP A 258 -1.086 33.336 -1.792 0.50 28.26 C ATOM 48 CE3ATRP A 258 0.704 33.374 -6.691 0.50 32.14 C ATOM 49 CE3BTRP A 258 -2.391 31.698 -3.011 0.50 30.23 C ATOM 50 CZ2ATRP A 258 0.640 35.902 -5.411 0.50 34.63 C ATOM 51 CZ2BTRP A 258 -2.202 33.746 -1.053 0.50 29.43 C ATOM 52 CZ3ATRP A 258 0.791 34.550 -7.411 0.50 34.86 C ATOM 53 CZ3BTRP A 258 -3.503 32.124 -2.289 0.50 31.99 C ATOM 54 CH2ATRP A 258 0.762 35.797 -6.769 0.50 35.46 C ATOM 55 CH2BTRP A 258 -3.395 33.125 -1.314 0.50 29.29 C ATOM 56 N AGLU A 259 2.387 30.201 -1.701 0.50 18.35 N ATOM 57 N BGLU A 259 2.409 30.215 -1.750 0.50 18.31 N ATOM 58 CA AGLU A 259 2.325 30.055 -0.238 0.50 20.35 C ATOM 59 CA BGLU A 259 2.413 30.143 -0.314 0.50 20.42 C ATOM 60 C AGLU A 259 2.411 28.594 0.246 0.50 16.91 C ATOM 61 C BGLU A 259 3.019 28.878 0.242 0.50 16.80 C ATOM 62 O AGLU A 259 2.007 28.214 1.358 0.50 13.55 O ATOM 63 O BGLU A 259 3.370 28.871 1.421 0.50 18.10 O ATOM 64 CB AGLU A 259 1.126 30.805 0.349 0.50 20.40 C ATOM 65 CB BGLU A 259 1.046 30.460 0.323 0.50 20.55 C ATOM 66 CG AGLU A 259 0.885 32.190 -0.286 0.50 24.31 C ATOM 67 CG BGLU A 259 -0.090 29.457 0.109 0.50 26.26 C ATOM 68 CD AGLU A 259 1.641 33.311 0.415 0.50 24.88 C ATOM 69 CD BGLU A 259 -1.456 30.065 0.444 0.50 31.90 C ATOM 70 OE1AGLU A 259 1.902 33.194 1.629 0.50 27.16 O ATOM 71 OE1BGLU A 259 -1.511 30.965 1.310 0.50 36.49 O ATOM 72 OE2AGLU A 259 1.914 34.349 -0.236 0.50 33.47 O ATOM 73 OE2BGLU A 259 -2.475 29.656 -0.156 0.50 35.16 O ATOM 74 N TRP A 260 3.091 27.806 -0.564 1.00 12.31 N ATOM 75 CA TRP A 260 3.701 26.563 -0.084 1.00 8.83 C ATOM 76 C TRP A 260 5.189 26.774 0.062 1.00 8.63 C ATOM 77 O TRP A 260 5.766 27.747 -0.464 1.00 9.86 O ATOM 78 CB TRP A 260 3.359 25.421 -1.001 1.00 8.64 C ATOM 79 CG TRP A 260 1.867 24.996 -1.002 1.00 8.71 C ATOM 80 CD1 TRP A 260 0.786 25.777 -1.308 1.00 12.81 C ATOM 81 CD2 TRP A 260 1.356 23.707 -0.661 1.00 7.25 C ATOM 82 NE1 TRP A 260 -0.377 25.041 -1.120 1.00 12.13 N ATOM 83 CE2 TRP A 260 -0.039 23.740 -0.862 1.00 10.33 C ATOM 84 CE3 TRP A 260 1.955 22.510 -0.266 1.00 7.67 C ATOM 85 CZ2 TRP A 260 -0.852 22.633 -0.597 1.00 11.20 C ATOM 86 CZ3 TRP A 260 1.178 21.412 -0.036 1.00 7.66 C ATOM 87 CH2 TRP A 260 -0.230 21.483 -0.181 1.00 8.56 C ATOM 88 N THR A 261 5.841 25.812 0.677 1.00 7.15 N ATOM 89 CA THR A 261 7.257 25.836 0.974 1.00 6.88 C ATOM 90 C THR A 261 7.886 24.594 0.359 1.00 6.66 C ATOM 91 O THR A 261 7.417 23.460 0.569 1.00 6.55 O ATOM 92 CB THR A 261 7.429 25.773 2.461 1.00 7.74 C ATOM 93 OG1 THR A 261 6.908 27.011 3.011 1.00 13.49 O ATOM 94 CG2 THR A 261 8.859 25.579 2.867 1.00 11.58 C ATOM 95 N PHE A 262 9.015 24.767 -0.302 1.00 5.56 N ATOM 96 CA PHE A 262 9.731 23.640 -0.926 1.00 5.74 C ATOM 97 C PHE A 262 10.823 23.113 -0.035 1.00 6.60 C ATOM 98 O PHE A 262 11.565 23.888 0.570 1.00 7.44 O ATOM 99 CB PHE A 262 10.361 24.137 -2.225 1.00 6.36 C ATOM 100 CG PHE A 262 11.239 23.116 -2.904 1.00 6.46 C ATOM 101 CD1 PHE A 262 10.663 22.200 -3.800 1.00 7.34 C ATOM 102 CD2 PHE A 262 12.585 23.062 -2.629 1.00 7.74 C ATOM 103 CE1 PHE A 262 11.487 21.272 -4.453 1.00 8.66 C ATOM 104 CE2 PHE A 262 13.416 22.109 -3.265 1.00 7.69 C ATOM 105 CZ PHE A 262 12.835 21.230 -4.156 1.00 7.99 C ATOM 106 N PHE A 263 10.976 21.812 0.042 1.00 4.77 N ATOM 107 CA PHE A 263 12.171 21.217 0.646 1.00 5.42 C ATOM 108 C PHE A 263 12.327 19.785 0.127 1.00 4.87 C ATOM 109 O PHE A 263 11.374 18.990 0.206 1.00 5.25 O ATOM 110 CB PHE A 263 12.042 21.188 2.203 1.00 7.03 C ATOM 111 CG PHE A 263 13.243 20.626 2.901 1.00 5.86 C ATOM 112 CD1 PHE A 263 14.412 21.373 2.939 1.00 6.42 C ATOM 113 CD2 PHE A 263 13.228 19.366 3.534 1.00 7.12 C ATOM 114 CE1 PHE A 263 15.577 20.846 3.529 1.00 8.02 C ATOM 115 CE2 PHE A 263 14.369 18.888 4.142 1.00 7.47 C ATOM 116 CZ PHE A 263 15.520 19.571 4.143 1.00 6.95 C ATOM 117 N GLN A 264 13.492 19.496 -0.445 1.00 5.27 N ATOM 118 CA GLN A 264 13.832 18.123 -0.922 1.00 5.62 C ATOM 119 C GLN A 264 12.750 17.474 -1.746 1.00 5.59 C ATOM 120 O GLN A 264 12.413 16.314 -1.508 1.00 7.71 O ATOM 121 CB GLN A 264 14.317 17.278 0.273 1.00 5.97 C ATOM 122 CG GLN A 264 15.559 17.889 0.939 1.00 6.26 C ATOM 123 CD GLN A 264 16.267 17.021 1.970 1.00 8.95 C ATOM 124 OE1 GLN A 264 15.728 16.000 2.388 1.00 10.91 O ATOM 125 NE2 GLN A 264 17.468 17.398 2.357 1.00 10.43 N ATOM 126 N GLY A 265 12.186 18.219 -2.700 1.00 5.85 N ATOM 127 CA GLY A 265 11.276 17.622 -3.694 1.00 6.01 C ATOM 128 C GLY A 265 9.860 17.489 -3.225 1.00 5.49 C ATOM 129 O GLY A 265 9.013 16.985 -3.966 1.00 7.19 O ATOM 130 N ASN A 266 9.580 17.999 -2.022 1.00 5.26 N ATOM 131 CA ASN A 266 8.199 18.049 -1.548 1.00 5.29 C ATOM 132 C ASN A 266 7.790 19.472 -1.319 1.00 5.81 C ATOM 133 O ASN A 266 8.667 20.354 -1.079 1.00 5.75 O ATOM 134 CB ASN A 266 8.094 17.242 -0.239 1.00 7.02 C ATOM 135 CG ASN A 266 8.234 15.742 -0.498 1.00 7.74 C ATOM 136 OD1 ASN A 266 7.402 15.155 -1.193 1.00 11.43 O ATOM 137 ND2 ASN A 266 9.286 15.167 0.000 1.00 8.29 N ATOM 138 N CYS A 267 6.503 19.717 -1.389 1.00 5.69 N ATOM 139 CA ACYS A 267 5.888 20.994 -1.075 0.80 4.75 C ATOM 140 CA BCYS A 267 6.012 20.999 -0.963 0.20 6.56 C ATOM 141 C CYS A 267 5.149 20.863 0.253 1.00 6.05 C ATOM 142 O CYS A 267 4.435 19.857 0.470 1.00 7.63 O ATOM 143 CB ACYS A 267 4.884 21.374 -2.163 0.80 6.88 C ATOM 144 CB BCYS A 267 5.256 21.718 -2.059 0.20 6.65 C ATOM 145 SG ACYS A 267 5.704 21.640 -3.761 0.80 7.40 S ANISOU 145 SG ACYS A 267 1146 1015 647 70 151 -115 S ATOM 146 SG BCYS A 267 4.375 20.602 -3.091 0.20 15.39 S ANISOU 146 SG BCYS A 267 2053 1811 1982 -269 -547 145 S ATOM 147 N TYR A 268 5.300 21.861 1.112 1.00 4.97 N ATOM 148 CA TYR A 268 4.689 21.856 2.436 1.00 5.42 C ATOM 149 C TYR A 268 3.795 23.057 2.562 1.00 6.37 C ATOM 150 O TYR A 268 4.136 24.176 2.181 1.00 6.77 O ATOM 151 CB TYR A 268 5.752 21.905 3.511 1.00 6.06 C ATOM 152 CG TYR A 268 6.665 20.696 3.509 1.00 4.97 C ATOM 153 CD1 TYR A 268 7.785 20.625 2.672 1.00 5.88 C ATOM 154 CD2 TYR A 268 6.428 19.614 4.362 1.00 5.50 C ATOM 155 CE1 TYR A 268 8.610 19.495 2.658 1.00 5.23 C ATOM 156 CE2 TYR A 268 7.285 18.528 4.400 1.00 5.82 C ATOM 157 CZ TYR A 268 8.365 18.468 3.539 1.00 5.59 C ATOM 158 OH TYR A 268 9.173 17.389 3.556 1.00 6.89 O ATOM 159 N PHE A 269 2.610 22.844 3.095 1.00 6.53 N ATOM 160 CA PHE A 269 1.683 23.936 3.385 1.00 6.44 C ATOM 161 C PHE A 269 1.667 24.188 4.863 1.00 6.67 C ATOM 162 O PHE A 269 1.230 23.304 5.611 1.00 6.80 O ATOM 163 CB PHE A 269 0.279 23.592 2.878 1.00 7.62 C ATOM 164 CG PHE A 269 -0.748 24.623 3.219 1.00 8.84 C ATOM 165 CD1 PHE A 269 -0.851 25.801 2.499 1.00 16.60 C ATOM 166 CD2 PHE A 269 -1.653 24.372 4.268 1.00 9.17 C ATOM 167 CE1 PHE A 269 -1.869 26.738 2.816 1.00 13.91 C ATOM 168 CE2 PHE A 269 -2.639 25.300 4.580 1.00 12.02 C ATOM 169 CZ PHE A 269 -2.738 26.484 3.861 1.00 13.39 C ATOM 170 N MET A 270 2.143 25.340 5.298 1.00 7.82 N ATOM 171 CA AMET A 270 2.068 25.781 6.680 0.60 7.86 C ATOM 172 CA BMET A 270 2.067 25.775 6.682 0.40 8.39 C ATOM 173 C MET A 270 0.812 26.612 6.835 1.00 8.21 C ATOM 174 O MET A 270 0.686 27.687 6.254 1.00 9.58 O ATOM 175 CB AMET A 270 3.300 26.635 7.042 0.60 8.50 C ATOM 176 CB BMET A 270 3.300 26.617 7.049 0.40 9.40 C ATOM 177 CG AMET A 270 4.539 25.826 7.317 0.60 8.14 C ATOM 178 CG BMET A 270 4.562 26.182 6.339 0.40 12.79 C ATOM 179 SD AMET A 270 5.078 24.762 5.979 0.60 10.49 S ATOM 180 SD BMET A 270 5.494 25.012 7.331 0.40 25.19 S ATOM 181 CE AMET A 270 6.739 24.305 6.534 0.60 12.80 C ATOM 182 CE BMET A 270 6.961 24.826 6.318 0.40 20.83 C ATOM 183 N SER A 271 -0.156 26.089 7.566 1.00 6.94 N ATOM 184 CA SER A 271 -1.460 26.719 7.619 1.00 6.60 C ATOM 185 C SER A 271 -1.387 28.115 8.258 1.00 7.79 C ATOM 186 O SER A 271 -0.496 28.398 9.061 1.00 9.42 O ATOM 187 CB SER A 271 -2.434 25.809 8.382 1.00 8.46 C ATOM 188 OG SER A 271 -2.182 25.890 9.779 1.00 6.31 O ATOM 189 N ASN A 272 -2.363 28.937 7.877 1.00 10.98 N ATOM 190 CA AASN A 272 -2.462 30.180 8.636 0.70 12.67 C ATOM 191 CA BASN A 272 -2.655 30.276 8.411 0.30 11.98 C ATOM 192 C ASN A 272 -3.684 30.223 9.539 1.00 12.76 C ATOM 193 O ASN A 272 -3.809 31.137 10.342 1.00 15.93 O ATOM 194 CB AASN A 272 -2.300 31.446 7.754 0.70 13.99 C ATOM 195 CB BASN A 272 -3.245 31.170 7.299 0.30 10.95 C ATOM 196 CG AASN A 272 -0.847 31.712 7.388 0.70 18.18 C ATOM 197 CG BASN A 272 -2.518 31.036 5.972 0.30 14.78 C ATOM 198 OD1AASN A 272 -0.005 31.906 8.257 0.70 22.41 O ATOM 199 OD1BASN A 272 -1.321 31.266 5.882 0.30 16.76 O ATOM 200 ND2AASN A 272 -0.529 31.577 6.112 0.70 23.53 N ATOM 201 ND2BASN A 272 -3.267 30.760 4.917 0.30 15.60 N ATOM 202 N SER A 273 -4.509 29.199 9.488 1.00 10.91 N ATOM 203 CA SER A 273 -5.602 29.020 10.460 1.00 9.83 C ATOM 204 C SER A 273 -5.277 27.799 11.317 1.00 8.55 C ATOM 205 O SER A 273 -4.274 27.119 11.103 1.00 8.13 O ATOM 206 CB SER A 273 -6.904 28.838 9.716 1.00 12.64 C ATOM 207 OG SER A 273 -6.826 27.718 8.892 1.00 15.28 O ATOM 208 N GLN A 274 -6.129 27.502 12.285 1.00 6.52 N ATOM 209 CA GLN A 274 -5.939 26.389 13.240 1.00 5.53 C ATOM 210 C GLN A 274 -7.070 25.398 13.225 1.00 6.12 C ATOM 211 O GLN A 274 -8.224 25.757 12.987 1.00 6.77 O ATOM 212 CB GLN A 274 -5.781 26.989 14.623 1.00 6.41 C ATOM 213 CG GLN A 274 -4.576 27.910 14.748 1.00 8.54 C ATOM 214 CD GLN A 274 -4.507 28.571 16.116 1.00 15.96 C ATOM 215 OE1 GLN A 274 -3.939 28.037 17.044 1.00 25.68 O ATOM 216 NE2 GLN A 274 -5.164 29.707 16.240 1.00 21.51 N ATOM 217 N ARG A 275 -6.733 24.127 13.399 1.00 5.40 N ATOM 218 CA ARG A 275 -7.687 23.013 13.366 1.00 5.43 C ATOM 219 C ARG A 275 -7.267 21.989 14.401 1.00 5.05 C ATOM 220 O ARG A 275 -6.068 21.898 14.754 1.00 6.04 O ATOM 221 CB ARG A 275 -7.692 22.313 11.993 1.00 5.43 C ATOM 222 CG ARG A 275 -8.535 23.058 10.976 1.00 6.05 C ATOM 223 CD ARG A 275 -8.440 22.374 9.636 1.00 6.07 C ATOM 224 NE ARG A 275 -9.347 23.053 8.677 1.00 7.31 N ATOM 225 CZ ARG A 275 -10.317 22.457 8.012 1.00 6.25 C ATOM 226 NH1 ARG A 275 -10.511 21.136 8.043 1.00 7.29 N ATOM 227 NH2 ARG A 275 -11.151 23.235 7.313 1.00 10.09 N ATOM 228 N ASN A 276 -8.219 21.208 14.904 1.00 4.67 N ATOM 229 CA ASN A 276 -7.831 20.046 15.684 1.00 5.21 C ATOM 230 C ASN A 276 -7.148 18.994 14.802 1.00 5.47 C ATOM 231 O ASN A 276 -6.988 19.197 13.593 1.00 5.88 O ATOM 232 CB ASN A 276 -9.032 19.462 16.463 1.00 5.39 C ATOM 233 CG ASN A 276 -10.090 18.826 15.608 1.00 5.16 C ATOM 234 OD1 ASN A 276 -9.874 18.420 14.487 1.00 6.03 O ATOM 235 ND2 ASN A 276 -11.292 18.651 16.219 1.00 9.10 N ATOM 236 N TRP A 277 -6.635 17.923 15.415 1.00 4.73 N ATOM 237 CA TRP A 277 -5.780 17.014 14.685 1.00 4.73 C ATOM 238 C TRP A 277 -6.543 16.327 13.566 1.00 5.97 C ATOM 239 O TRP A 277 -6.076 16.230 12.439 1.00 5.49 O ATOM 240 CB TRP A 277 -5.173 16.006 15.656 1.00 5.19 C ATOM 241 CG TRP A 277 -4.111 15.147 15.050 1.00 4.90 C ATOM 242 CD1 TRP A 277 -2.795 15.487 14.881 1.00 5.70 C ATOM 243 CD2 TRP A 277 -4.237 13.780 14.655 1.00 4.44 C ATOM 244 NE1 TRP A 277 -2.108 14.403 14.373 1.00 5.62 N ATOM 245 CE2 TRP A 277 -2.958 13.335 14.242 1.00 5.84 C ATOM 246 CE3 TRP A 277 -5.308 12.859 14.669 1.00 5.23 C ATOM 247 CZ2 TRP A 277 -2.716 12.034 13.809 1.00 5.96 C ATOM 248 CZ3 TRP A 277 -5.057 11.543 14.284 1.00 6.28 C ATOM 249 CH2 TRP A 277 -3.755 11.134 13.869 1.00 5.87 C ATOM 250 N HIS A 278 -7.714 15.754 13.858 1.00 5.99 N ATOM 251 CA HIS A 278 -8.449 15.101 12.803 1.00 5.75 C ATOM 252 C HIS A 278 -8.876 16.012 11.655 1.00 6.25 C ATOM 253 O HIS A 278 -8.841 15.612 10.489 1.00 6.42 O ATOM 254 CB HIS A 278 -9.680 14.385 13.397 1.00 10.25 C ATOM 255 CG HIS A 278 -9.326 13.103 14.090 1.00 16.69 C ATOM 256 ND1 HIS A 278 -9.132 13.028 15.453 1.00 19.76 N ATOM 257 CD2 HIS A 278 -9.052 11.864 13.603 1.00 16.74 C ATOM 258 CE1 HIS A 278 -8.863 11.776 15.786 1.00 17.76 C ATOM 259 NE2 HIS A 278 -8.818 11.046 14.687 1.00 15.49 N ATOM 260 N ASP A 279 -9.245 17.245 11.995 1.00 5.63 N ATOM 261 CA ASP A 279 -9.621 18.185 10.946 1.00 4.80 C ATOM 262 C ASP A 279 -8.412 18.626 10.122 1.00 5.15 C ATOM 263 O ASP A 279 -8.582 19.034 9.002 1.00 5.19 O ATOM 264 CB ASP A 279 -10.372 19.374 11.529 1.00 4.69 C ATOM 265 CG ASP A 279 -11.749 19.009 12.030 1.00 7.13 C ATOM 266 OD1 ASP A 279 -12.338 19.867 12.723 1.00 8.23 O ATOM 267 OD2 ASP A 279 -12.244 17.899 11.811 1.00 10.42 O ATOM 268 N SER A 280 -7.241 18.623 10.754 1.00 5.24 N ATOM 269 CA SER A 280 -6.005 18.878 9.989 1.00 5.03 C ATOM 270 C SER A 280 -5.717 17.767 8.968 1.00 5.63 C ATOM 271 O SER A 280 -5.396 18.066 7.800 1.00 6.41 O ATOM 272 CB SER A 280 -4.813 19.052 10.947 1.00 4.86 C ATOM 273 OG SER A 280 -5.016 20.192 11.794 1.00 5.43 O ATOM 274 N ILE A 281 -5.936 16.510 9.362 1.00 5.86 N ATOM 275 CA ILE A 281 -5.813 15.409 8.408 1.00 4.97 C ATOM 276 C ILE A 281 -6.752 15.641 7.206 1.00 6.18 C ATOM 277 O ILE A 281 -6.335 15.558 6.057 1.00 6.99 O ATOM 278 CB ILE A 281 -6.187 14.085 9.105 1.00 6.20 C ATOM 279 CG1 ILE A 281 -5.081 13.706 10.051 1.00 6.44 C ATOM 280 CG2 ILE A 281 -6.443 12.982 8.065 1.00 7.47 C ATOM 281 CD1 ILE A 281 -5.460 12.470 10.856 1.00 8.99 C ATOM 282 N THR A 282 -8.000 16.024 7.487 1.00 7.12 N ATOM 283 CA THR A 282 -8.999 16.247 6.433 1.00 6.56 C ATOM 284 C THR A 282 -8.578 17.412 5.568 1.00 6.76 C ATOM 285 O THR A 282 -8.690 17.339 4.328 1.00 8.39 O ATOM 286 CB THR A 282 -10.383 16.517 7.098 1.00 7.31 C ATOM 287 OG1 THR A 282 -10.715 15.349 7.872 1.00 10.56 O ATOM 288 CG2 THR A 282 -11.449 16.750 6.022 1.00 10.41 C ATOM 289 N ALA A 283 -8.129 18.497 6.174 1.00 6.52 N ATOM 290 CA ALA A 283 -7.730 19.674 5.363 1.00 6.47 C ATOM 291 C ALA A 283 -6.606 19.281 4.381 1.00 7.58 C ATOM 292 O ALA A 283 -6.582 19.754 3.234 1.00 8.74 O ATOM 293 CB ALA A 283 -7.248 20.782 6.264 1.00 7.50 C ATOM 294 N CYS A 284 -5.647 18.485 4.825 1.00 6.53 N ATOM 295 CA CYS A 284 -4.598 18.071 3.897 1.00 6.82 C ATOM 296 C CYS A 284 -5.097 17.174 2.806 1.00 8.59 C ATOM 297 O CYS A 284 -4.714 17.338 1.651 1.00 8.36 O ATOM 298 CB CYS A 284 -3.465 17.389 4.690 1.00 6.30 C ATOM 299 SG CYS A 284 -2.637 18.482 5.860 1.00 7.21 S ANISOU 299 SG CYS A 284 672 1217 850 56 17 -78 S ATOM 300 N LYS A 285 -5.999 16.247 3.144 1.00 7.81 N ATOM 301 CA LYS A 285 -6.564 15.350 2.099 1.00 9.91 C ATOM 302 C LYS A 285 -7.325 16.165 1.061 1.00 11.50 C ATOM 303 O LYS A 285 -7.249 15.849 -0.133 1.00 13.07 O ATOM 304 CB LYS A 285 -7.466 14.297 2.725 1.00 10.95 C ATOM 305 CG LYS A 285 -6.738 13.202 3.476 1.00 12.71 C ATOM 306 CD LYS A 285 -7.737 12.204 4.115 1.00 15.98 C ATOM 307 CE LYS A 285 -6.966 11.006 4.691 1.00 20.36 C ATOM 308 NZ LYS A 285 -7.788 9.780 5.098 1.00 26.36 N ATOM 309 N GLU A 286 -7.927 17.288 1.443 1.00 12.15 N ATOM 310 CA AGLU A 286 -8.712 18.111 0.522 0.50 13.06 C ATOM 311 CA BGLU A 286 -8.726 18.071 0.501 0.50 13.12 C ATOM 312 C GLU A 286 -7.848 18.682 -0.593 1.00 14.62 C ATOM 313 O GLU A 286 -8.355 19.027 -1.668 1.00 19.39 O ATOM 314 CB AGLU A 286 -9.397 19.249 1.289 0.50 14.17 C ATOM 315 CB BGLU A 286 -9.532 19.172 1.216 0.50 14.47 C ATOM 316 CG AGLU A 286 -10.597 18.768 2.061 0.50 12.63 C ATOM 317 CG BGLU A 286 -10.338 20.053 0.248 0.50 14.15 C ATOM 318 CD AGLU A 286 -11.158 19.786 3.044 0.50 16.41 C ATOM 319 CD BGLU A 286 -11.290 21.030 0.924 0.50 24.74 C ATOM 320 OE1AGLU A 286 -10.765 20.972 3.009 0.50 23.62 O ATOM 321 OE1BGLU A 286 -11.526 20.924 2.148 0.50 25.88 O ATOM 322 OE2AGLU A 286 -12.011 19.373 3.859 0.50 19.21 O ATOM 323 OE2BGLU A 286 -11.831 21.900 0.200 0.50 28.70 O ATOM 324 N VAL A 287 -6.567 18.888 -0.321 1.00 12.87 N ATOM 325 CA VAL A 287 -5.638 19.467 -1.290 1.00 14.21 C ATOM 326 C VAL A 287 -4.674 18.395 -1.813 1.00 12.96 C ATOM 327 O VAL A 287 -3.610 18.762 -2.335 1.00 17.38 O ATOM 328 CB VAL A 287 -4.899 20.712 -0.741 1.00 13.51 C ATOM 329 CG1 VAL A 287 -5.884 21.840 -0.393 1.00 17.66 C ATOM 330 CG2 VAL A 287 -3.989 20.383 0.452 1.00 15.39 C ATOM 331 N GLY A 288 -5.035 17.116 -1.686 1.00 12.06 N ATOM 332 CA GLY A 288 -4.226 16.008 -2.224 1.00 11.46 C ATOM 333 C GLY A 288 -2.905 15.824 -1.523 1.00 12.65 C ATOM 334 O GLY A 288 -1.940 15.325 -2.108 1.00 14.21 O ATOM 335 N ALA A 289 -2.872 16.183 -0.246 1.00 9.52 N ATOM 336 CA ALA A 289 -1.649 16.121 0.562 1.00 7.82 C ATOM 337 C ALA A 289 -1.890 15.270 1.792 1.00 7.50 C ATOM 338 O ALA A 289 -2.979 14.680 1.950 1.00 8.79 O ATOM 339 CB ALA A 289 -1.200 17.524 0.928 1.00 7.30 C ATOM 340 N GLN A 290 -0.936 15.249 2.705 1.00 5.70 N ATOM 341 CA GLN A 290 -1.050 14.488 3.947 1.00 6.00 C ATOM 342 C GLN A 290 -0.531 15.321 5.113 1.00 5.57 C ATOM 343 O GLN A 290 0.530 15.963 4.975 1.00 6.24 O ATOM 344 CB GLN A 290 -0.273 13.188 3.803 1.00 7.00 C ATOM 345 CG GLN A 290 -0.321 12.313 5.036 1.00 6.90 C ATOM 346 CD GLN A 290 0.235 10.941 4.703 1.00 9.78 C ATOM 347 OE1 GLN A 290 1.432 10.799 4.441 1.00 11.23 O ATOM 348 NE2 GLN A 290 -0.639 9.928 4.701 1.00 12.35 N ATOM 349 N LEU A 291 -1.185 15.261 6.272 1.00 4.29 N ATOM 350 CA LEU A 291 -0.686 15.874 7.460 1.00 4.17 C ATOM 351 C LEU A 291 0.707 15.274 7.674 1.00 5.21 C ATOM 352 O LEU A 291 0.876 14.047 7.663 1.00 5.58 O ATOM 353 CB LEU A 291 -1.638 15.582 8.646 1.00 4.61 C ATOM 354 CG LEU A 291 -1.220 16.214 9.978 1.00 4.14 C ATOM 355 CD1 LEU A 291 -1.145 17.739 9.853 1.00 5.80 C ATOM 356 CD2 LEU A 291 -2.214 15.781 11.053 1.00 6.13 C ATOM 357 N VAL A 292 1.696 16.130 7.872 1.00 4.31 N ATOM 358 CA VAL A 292 3.079 15.714 7.499 1.00 5.02 C ATOM 359 C VAL A 292 3.568 14.467 8.269 1.00 4.90 C ATOM 360 O VAL A 292 3.533 14.382 9.508 1.00 4.91 O ATOM 361 CB VAL A 292 4.080 16.905 7.693 1.00 4.86 C ATOM 362 CG1 VAL A 292 4.095 17.460 9.107 1.00 5.69 C ATOM 363 CG2 VAL A 292 5.480 16.508 7.268 1.00 5.95 C ATOM 364 N VAL A 293 4.123 13.544 7.486 1.00 5.02 N ATOM 365 CA VAL A 293 4.823 12.375 8.007 1.00 5.90 C ATOM 366 C VAL A 293 6.320 12.587 7.729 1.00 5.37 C ATOM 367 O VAL A 293 6.746 12.776 6.566 1.00 7.04 O ATOM 368 CB VAL A 293 4.324 11.089 7.335 1.00 5.73 C ATOM 369 CG1 VAL A 293 5.175 9.929 7.780 1.00 6.08 C ATOM 370 CG2 VAL A 293 2.815 10.853 7.666 1.00 7.52 C ATOM 371 N ILE A 294 7.096 12.597 8.790 1.00 5.07 N ATOM 372 CA AILE A 294 8.525 12.880 8.674 0.75 5.63 C ATOM 373 CA BILE A 294 8.520 12.883 8.683 0.25 5.86 C ATOM 374 C ILE A 294 9.271 11.599 8.397 1.00 5.76 C ATOM 375 O ILE A 294 9.092 10.614 9.088 1.00 7.32 O ATOM 376 CB AILE A 294 9.018 13.496 9.956 0.75 5.04 C ATOM 377 CB BILE A 294 9.044 13.545 9.960 0.25 5.75 C ATOM 378 CG1AILE A 294 8.292 14.826 10.218 0.75 7.11 C ATOM 379 CG1BILE A 294 8.094 14.661 10.391 0.25 8.23 C ATOM 380 CG2AILE A 294 10.536 13.709 9.854 0.75 9.29 C ATOM 381 CG2BILE A 294 10.397 14.205 9.680 0.25 5.55 C ATOM 382 CD1AILE A 294 8.602 15.416 11.606 0.75 5.69 C ATOM 383 CD1BILE A 294 8.379 15.947 9.696 0.25 12.70 C ATOM 384 N LYS A 295 10.134 11.648 7.389 1.00 6.66 N ATOM 385 CA LYS A 295 10.871 10.455 6.925 1.00 6.81 C ATOM 386 C LYS A 295 12.367 10.557 7.148 1.00 7.19 C ATOM 387 O LYS A 295 13.070 9.534 6.984 1.00 6.98 O ATOM 388 CB LYS A 295 10.605 10.177 5.433 1.00 7.08 C ATOM 389 CG LYS A 295 9.138 9.836 5.135 1.00 8.23 C ATOM 390 CD LYS A 295 8.744 8.530 5.790 1.00 11.04 C ATOM 391 CE LYS A 295 7.309 8.091 5.382 1.00 12.34 C ATOM 392 NZ LYS A 295 6.894 6.975 6.325 1.00 14.75 N ATOM 393 N SER A 296 12.878 11.729 7.509 1.00 5.96 N ATOM 394 CA SER A 296 14.337 11.860 7.713 1.00 5.49 C ATOM 395 C SER A 296 14.701 12.871 8.753 1.00 5.56 C ATOM 396 O SER A 296 13.927 13.779 9.057 1.00 5.79 O ATOM 397 CB SER A 296 15.041 12.224 6.383 1.00 7.23 C ATOM 398 OG SER A 296 14.769 13.570 6.042 1.00 6.46 O ATOM 399 N ALA A 297 15.938 12.756 9.239 1.00 5.81 N ATOM 400 CA ALA A 297 16.490 13.737 10.162 1.00 6.17 C ATOM 401 C ALA A 297 16.508 15.144 9.605 1.00 6.46 C ATOM 402 O ALA A 297 16.171 16.111 10.292 1.00 6.71 O ATOM 403 CB ALA A 297 17.896 13.309 10.602 1.00 7.42 C ATOM 404 N GLU A 298 16.928 15.292 8.339 1.00 6.40 N ATOM 405 CA AGLU A 298 16.992 16.649 7.812 0.50 6.25 C ATOM 406 CA BGLU A 298 16.993 16.605 7.674 0.50 7.58 C ATOM 407 C GLU A 298 15.612 17.268 7.595 1.00 6.28 C ATOM 408 O GLU A 298 15.447 18.460 7.768 1.00 6.88 O ATOM 409 CB AGLU A 298 17.868 16.742 6.551 0.50 6.01 C ATOM 410 CB BGLU A 298 17.558 16.450 6.236 0.50 8.76 C ATOM 411 CG AGLU A 298 19.317 16.301 6.765 0.50 11.14 C ATOM 412 CG BGLU A 298 19.061 16.182 6.101 0.50 13.76 C ATOM 413 CD AGLU A 298 19.494 14.765 6.877 0.50 13.03 C ATOM 414 CD BGLU A 298 19.484 15.931 4.652 0.50 18.30 C ATOM 415 OE1AGLU A 298 18.546 13.974 6.539 0.50 6.82 O ATOM 416 OE1BGLU A 298 18.736 15.239 3.919 0.50 19.87 O ATOM 417 OE2AGLU A 298 20.601 14.343 7.334 0.50 13.72 O ATOM 418 OE2BGLU A 298 20.613 16.317 4.290 0.50 27.31 O ATOM 419 N GLU A 299 14.605 16.450 7.297 1.00 6.15 N ATOM 420 CA GLU A 299 13.258 16.938 7.171 1.00 5.55 C ATOM 421 C GLU A 299 12.732 17.366 8.531 1.00 5.06 C ATOM 422 O GLU A 299 12.154 18.430 8.651 1.00 5.55 O ATOM 423 CB GLU A 299 12.366 15.833 6.555 1.00 5.92 C ATOM 424 CG GLU A 299 10.947 16.287 6.332 1.00 5.53 C ATOM 425 CD GLU A 299 10.078 15.184 5.765 1.00 6.11 C ATOM 426 OE1 GLU A 299 8.980 15.522 5.284 1.00 7.75 O ATOM 427 OE2 GLU A 299 10.448 13.994 5.868 1.00 7.43 O ATOM 428 N GLN A 300 12.990 16.564 9.561 1.00 6.38 N ATOM 429 CA GLN A 300 12.688 16.980 10.923 1.00 6.38 C ATOM 430 C GLN A 300 13.342 18.303 11.279 1.00 6.27 C ATOM 431 O GLN A 300 12.696 19.210 11.782 1.00 6.25 O ATOM 432 CB GLN A 300 13.119 15.901 11.938 1.00 5.73 C ATOM 433 CG GLN A 300 13.406 16.430 13.364 1.00 7.05 C ATOM 434 CD GLN A 300 12.193 17.034 14.068 1.00 6.44 C ATOM 435 OE1 GLN A 300 11.049 16.882 13.637 1.00 7.19 O ATOM 436 NE2 GLN A 300 12.459 17.761 15.128 1.00 7.86 N ATOM 437 N ASN A 301 14.636 18.417 10.996 1.00 6.61 N ATOM 438 CA ASN A 301 15.329 19.635 11.411 1.00 6.51 C ATOM 439 C ASN A 301 14.721 20.829 10.698 1.00 6.51 C ATOM 440 O ASN A 301 14.570 21.913 11.293 1.00 8.63 O ATOM 441 CB ASN A 301 16.826 19.548 11.123 1.00 7.34 C ATOM 442 CG ASN A 301 17.538 18.525 11.964 1.00 11.24 C ATOM 443 OD1 ASN A 301 17.043 18.047 12.994 1.00 15.46 O ATOM 444 ND2 ASN A 301 18.683 18.122 11.481 1.00 15.46 N ATOM 445 N PHE A 302 14.416 20.687 9.406 1.00 5.89 N ATOM 446 CA PHE A 302 13.832 21.748 8.643 1.00 5.48 C ATOM 447 C PHE A 302 12.468 22.154 9.156 1.00 6.65 C ATOM 448 O PHE A 302 12.243 23.339 9.471 1.00 6.90 O ATOM 449 CB PHE A 302 13.744 21.301 7.164 1.00 6.24 C ATOM 450 CG PHE A 302 13.060 22.291 6.273 1.00 6.39 C ATOM 451 CD1 PHE A 302 11.756 22.141 5.918 1.00 5.89 C ATOM 452 CD2 PHE A 302 13.765 23.387 5.785 1.00 8.22 C ATOM 453 CE1 PHE A 302 11.099 23.044 5.098 1.00 7.47 C ATOM 454 CE2 PHE A 302 13.135 24.295 4.936 1.00 7.79 C ATOM 455 CZ PHE A 302 11.813 24.103 4.574 1.00 8.26 C ATOM 456 N LEU A 303 11.584 21.174 9.382 1.00 6.00 N ATOM 457 CA LEU A 303 10.228 21.521 9.800 1.00 6.14 C ATOM 458 C LEU A 303 10.201 22.084 11.220 1.00 6.00 C ATOM 459 O LEU A 303 9.430 23.012 11.523 1.00 6.78 O ATOM 460 CB LEU A 303 9.341 20.269 9.726 1.00 6.52 C ATOM 461 CG LEU A 303 9.120 19.766 8.311 1.00 7.06 C ATOM 462 CD1 LEU A 303 8.435 18.371 8.444 1.00 8.93 C ATOM 463 CD2 LEU A 303 8.300 20.733 7.455 1.00 10.12 C ATOM 464 N GLN A 304 11.005 21.492 12.085 1.00 5.91 N ATOM 465 CA GLN A 304 11.091 21.956 13.493 1.00 6.99 C ATOM 466 C GLN A 304 11.506 23.412 13.554 1.00 7.65 C ATOM 467 O GLN A 304 10.857 24.205 14.258 1.00 9.01 O ATOM 468 CB GLN A 304 12.084 21.104 14.243 1.00 7.35 C ATOM 469 CG GLN A 304 12.089 21.398 15.756 1.00 7.07 C ATOM 470 CD GLN A 304 10.818 20.874 16.383 1.00 6.29 C ATOM 471 OE1 GLN A 304 10.595 19.660 16.382 1.00 7.17 O ATOM 472 NE2 GLN A 304 10.026 21.746 17.007 1.00 6.38 N ATOM 473 N LEU A 305 12.509 23.776 12.754 1.00 8.53 N ATOM 474 CA LEU A 305 12.967 25.170 12.727 1.00 9.23 C ATOM 475 C LEU A 305 11.876 26.102 12.209 1.00 9.46 C ATOM 476 O LEU A 305 11.686 27.207 12.779 1.00 9.98 O ATOM 477 CB LEU A 305 14.218 25.240 11.872 1.00 9.77 C ATOM 478 CG LEU A 305 14.823 26.640 11.833 1.00 10.38 C ATOM 479 CD1 LEU A 305 15.546 26.896 13.127 1.00 16.85 C ATOM 480 CD2 LEU A 305 15.841 26.619 10.715 1.00 10.83 C ATOM 481 N GLN A 306 11.099 25.713 11.200 1.00 9.77 N ATOM 482 CA GLN A 306 10.008 26.595 10.720 1.00 11.34 C ATOM 483 C GLN A 306 9.042 26.886 11.843 1.00 13.97 C ATOM 484 O GLN A 306 8.537 28.006 11.978 1.00 17.82 O ATOM 485 CB GLN A 306 9.271 26.029 9.495 1.00 10.54 C ATOM 486 CG GLN A 306 10.157 25.374 8.448 1.00 13.96 C ATOM 487 CD GLN A 306 11.324 26.275 7.970 1.00 12.00 C ATOM 488 OE1 GLN A 306 11.081 27.435 7.532 1.00 14.04 O ATOM 489 NE2 GLN A 306 12.554 25.727 7.940 1.00 9.03 N ATOM 490 N SER A 307 8.710 25.855 12.613 1.00 13.43 N ATOM 491 CA ASER A 307 7.718 25.988 13.673 0.50 15.64 C ATOM 492 CA BSER A 307 7.721 25.995 13.676 0.50 16.13 C ATOM 493 C SER A 307 8.298 26.789 14.849 1.00 15.38 C ATOM 494 O SER A 307 7.634 27.700 15.375 1.00 18.06 O ATOM 495 CB ASER A 307 7.243 24.592 14.122 0.50 14.93 C ATOM 496 CB BSER A 307 7.240 24.608 14.134 0.50 15.63 C ATOM 497 OG ASER A 307 6.816 23.799 13.022 0.50 16.50 O ATOM 498 OG BSER A 307 6.669 24.675 15.432 0.50 21.12 O ATOM 499 N SER A 308 9.542 26.507 15.233 1.00 12.86 N ATOM 500 CA ASER A 308 10.254 27.198 16.317 0.50 14.16 C ATOM 501 CA BSER A 308 10.189 27.209 16.332 0.50 14.85 C ATOM 502 C SER A 308 10.355 28.716 16.092 1.00 17.05 C ATOM 503 O SER A 308 10.041 29.529 16.969 1.00 18.86 O ATOM 504 CB ASER A 308 11.654 26.610 16.478 0.50 14.85 C ATOM 505 CB BSER A 308 11.528 26.581 16.656 0.50 15.31 C ATOM 506 OG ASER A 308 12.457 27.372 17.369 0.50 18.32 O ATOM 507 OG BSER A 308 12.490 26.919 15.685 0.50 20.71 O ATOM 508 N ARG A 309 10.816 29.102 14.925 1.00 14.57 N ATOM 509 CA ARG A 309 11.041 30.521 14.654 1.00 16.45 C ATOM 510 C ARG A 309 9.773 31.293 14.352 1.00 19.25 C ATOM 511 O ARG A 309 9.786 32.515 14.372 1.00 21.34 O ATOM 512 CB ARG A 309 12.063 30.678 13.515 1.00 15.99 C ATOM 513 CG ARG A 309 13.487 30.490 14.002 1.00 18.33 C ATOM 514 CD ARG A 309 13.866 31.645 14.953 1.00 24.23 C ATOM 515 NE ARG A 309 15.217 31.531 15.508 1.00 27.30 N ATOM 516 CZ ARG A 309 16.257 32.254 15.105 1.00 26.46 C ATOM 517 NH1 ARG A 309 16.148 33.059 14.064 1.00 24.02 N ATOM 518 NH2 ARG A 309 17.422 32.126 15.713 1.00 25.03 N ATOM 519 N SER A 310 8.655 30.616 14.116 1.00 18.21 N ATOM 520 CA ASER A 310 7.382 31.303 13.929 0.50 19.67 C ATOM 521 CA BSER A 310 7.378 31.298 13.926 0.50 20.41 C ATOM 522 C SER A 310 6.571 31.323 15.217 1.00 20.40 C ATOM 523 O SER A 310 5.489 31.932 15.263 1.00 22.02 O ATOM 524 CB ASER A 310 6.568 30.653 12.811 0.50 20.28 C ATOM 525 CB BSER A 310 6.555 30.634 12.822 0.50 21.15 C ATOM 526 OG ASER A 310 6.238 29.308 13.127 0.50 17.88 O ATOM 527 OG BSER A 310 7.270 30.563 11.600 0.50 24.25 O ATOM 528 N ASN A 311 7.119 30.723 16.274 1.00 19.30 N ATOM 529 CA AASN A 311 6.394 30.542 17.536 0.50 20.54 C ATOM 530 CA BASN A 311 6.405 30.525 17.532 0.50 20.75 C ATOM 531 C ASN A 311 4.998 29.956 17.327 1.00 19.43 C ATOM 532 O ASN A 311 4.021 30.456 17.895 1.00 21.82 O ATOM 533 CB AASN A 311 6.261 31.874 18.285 0.50 21.39 C ATOM 534 CB BASN A 311 6.355 31.839 18.315 0.50 21.95 C ATOM 535 CG AASN A 311 6.084 31.689 19.784 0.50 22.22 C ATOM 536 CG BASN A 311 7.735 32.457 18.488 0.50 23.81 C ATOM 537 OD1AASN A 311 6.394 30.630 20.340 0.50 27.30 O ATOM 538 OD1BASN A 311 8.549 31.961 19.268 0.50 32.30 O ATOM 539 ND2AASN A 311 5.644 32.748 20.461 0.50 30.89 N ATOM 540 ND2BASN A 311 8.037 33.478 17.692 0.50 28.30 N ATOM 541 N ARG A 312 4.892 28.949 16.465 1.00 17.04 N ATOM 542 CA AARG A 312 3.616 28.303 16.158 0.50 17.37 C ATOM 543 CA BARG A 312 3.594 28.332 16.236 0.50 17.65 C ATOM 544 C ARG A 312 3.614 26.871 16.659 1.00 16.43 C ATOM 545 O ARG A 312 4.370 26.050 16.134 1.00 21.27 O ATOM 546 CB AARG A 312 3.435 28.247 14.648 0.50 16.81 C ATOM 547 CB BARG A 312 3.135 28.495 14.780 0.50 17.65 C ATOM 548 CG AARG A 312 2.990 29.555 14.038 0.50 16.45 C ATOM 549 CG BARG A 312 2.623 29.905 14.444 0.50 18.78 C ATOM 550 CD AARG A 312 3.480 29.712 12.614 0.50 21.37 C ATOM 551 CD BARG A 312 2.165 30.069 12.977 0.50 16.66 C ATOM 552 NE AARG A 312 3.024 28.645 11.729 0.50 23.09 N ATOM 553 NE BARG A 312 1.431 31.325 12.751 0.50 22.08 N ATOM 554 CZ AARG A 312 2.029 28.770 10.863 0.50 22.35 C ATOM 555 CZ BARG A 312 0.834 31.658 11.605 0.50 19.42 C ATOM 556 NH1AARG A 312 1.347 29.907 10.780 0.50 21.11 N ATOM 557 NH1BARG A 312 0.882 30.846 10.559 0.50 15.25 N ATOM 558 NH2AARG A 312 1.726 27.759 10.081 0.50 19.30 N ATOM 559 NH2BARG A 312 0.158 32.797 11.512 0.50 21.21 N ATOM 560 N PHE A 313 2.675 26.539 17.521 1.00 11.03 N ATOM 561 CA PHE A 313 2.425 25.153 17.864 1.00 9.55 C ATOM 562 C PHE A 313 1.666 24.489 16.719 1.00 7.51 C ATOM 563 O PHE A 313 0.625 25.000 16.264 1.00 8.26 O ATOM 564 CB PHE A 313 1.599 25.071 19.168 1.00 11.78 C ATOM 565 CG PHE A 313 2.306 25.642 20.366 1.00 16.91 C ATOM 566 CD1 PHE A 313 3.644 25.432 20.571 1.00 21.29 C ATOM 567 CD2 PHE A 313 1.604 26.426 21.273 1.00 28.05 C ATOM 568 CE1 PHE A 313 4.310 25.996 21.663 1.00 27.50 C ATOM 569 CE2 PHE A 313 2.239 26.933 22.404 1.00 25.96 C ATOM 570 CZ PHE A 313 3.604 26.748 22.565 1.00 29.64 C ATOM 571 N THR A 314 2.247 23.401 16.183 1.00 5.80 N ATOM 572 CA THR A 314 1.838 22.913 14.835 1.00 5.47 C ATOM 573 C THR A 314 1.666 21.395 14.878 1.00 4.87 C ATOM 574 O THR A 314 2.609 20.668 15.230 1.00 5.56 O ATOM 575 CB THR A 314 2.909 23.293 13.822 1.00 6.34 C ATOM 576 OG1 THR A 314 3.063 24.730 13.871 1.00 8.15 O ATOM 577 CG2 THR A 314 2.503 22.864 12.442 1.00 6.94 C ATOM 578 N TRP A 315 0.552 20.883 14.395 1.00 4.37 N ATOM 579 CA TRP A 315 0.363 19.416 14.304 1.00 4.13 C ATOM 580 C TRP A 315 1.238 18.777 13.229 1.00 3.64 C ATOM 581 O TRP A 315 1.454 19.346 12.139 1.00 5.45 O ATOM 582 CB TRP A 315 -1.075 19.089 13.939 1.00 4.24 C ATOM 583 CG TRP A 315 -2.124 19.358 15.007 1.00 3.69 C ATOM 584 CD1 TRP A 315 -3.281 20.076 14.844 1.00 5.83 C ATOM 585 CD2 TRP A 315 -2.122 18.862 16.351 1.00 4.66 C ATOM 586 NE1 TRP A 315 -3.991 20.049 16.020 1.00 5.83 N ATOM 587 CE2 TRP A 315 -3.305 19.298 16.958 1.00 4.78 C ATOM 588 CE3 TRP A 315 -1.226 18.072 17.094 1.00 5.27 C ATOM 589 CZ2 TRP A 315 -3.629 18.967 18.299 1.00 6.97 C ATOM 590 CZ3 TRP A 315 -1.542 17.744 18.409 1.00 5.79 C ATOM 591 CH2 TRP A 315 -2.744 18.220 19.003 1.00 7.45 C ATOM 592 N MET A 316 1.669 17.549 13.525 1.00 4.15 N ATOM 593 CA MET A 316 2.203 16.633 12.506 1.00 3.73 C ATOM 594 C MET A 316 1.359 15.375 12.473 1.00 3.74 C ATOM 595 O MET A 316 0.539 15.163 13.387 1.00 4.10 O ATOM 596 CB MET A 316 3.655 16.276 12.788 1.00 4.94 C ATOM 597 CG MET A 316 3.838 15.320 13.986 1.00 4.58 C ATOM 598 SD MET A 316 5.552 15.101 14.536 1.00 5.63 S ATOM 599 CE MET A 316 5.762 16.697 15.379 1.00 8.03 C ATOM 600 N GLY A 317 1.588 14.494 11.526 1.00 3.96 N ATOM 601 CA GLY A 317 0.747 13.303 11.332 1.00 5.14 C ATOM 602 C GLY A 317 1.181 12.128 12.188 1.00 4.82 C ATOM 603 O GLY A 317 1.494 11.083 11.628 1.00 5.61 O ATOM 604 N LEU A 318 1.173 12.274 13.516 1.00 4.44 N ATOM 605 CA LEU A 318 1.689 11.245 14.419 1.00 3.93 C ATOM 606 C LEU A 318 0.800 11.204 15.635 1.00 4.06 C ATOM 607 O LEU A 318 0.473 12.260 16.220 1.00 4.92 O ATOM 608 CB LEU A 318 3.150 11.616 14.826 1.00 4.68 C ATOM 609 CG LEU A 318 3.886 10.651 15.733 1.00 5.52 C ATOM 610 CD1 LEU A 318 4.209 9.367 15.061 1.00 7.09 C ATOM 611 CD2 LEU A 318 5.175 11.314 16.229 1.00 9.54 C ATOM 612 N SER A 319 0.401 9.986 16.048 1.00 5.39 N ATOM 613 CA ASER A 319 -0.508 9.841 17.213 0.75 5.71 C ATOM 614 CA BSER A 319 -0.518 9.829 17.170 0.25 6.46 C ATOM 615 C SER A 319 -0.233 8.528 17.940 1.00 5.84 C ATOM 616 O SER A 319 0.286 7.585 17.361 1.00 6.86 O ATOM 617 CB ASER A 319 -1.988 9.859 16.811 0.75 6.27 C ATOM 618 CB BSER A 319 -1.945 9.838 16.632 0.25 7.71 C ATOM 619 OG ASER A 319 -2.355 8.635 16.178 0.75 5.95 O ATOM 620 OG BSER A 319 -2.884 9.719 17.663 0.25 11.82 O ATOM 621 N ASP A 320 -0.674 8.462 19.202 1.00 6.00 N ATOM 622 CA ASP A 320 -0.771 7.185 19.934 1.00 6.17 C ATOM 623 C ASP A 320 -2.199 6.950 20.359 1.00 6.89 C ATOM 624 O ASP A 320 -2.442 6.293 21.356 1.00 7.58 O ATOM 625 CB ASP A 320 0.246 7.059 21.100 1.00 8.19 C ATOM 626 CG ASP A 320 -0.104 7.907 22.310 1.00 7.75 C ATOM 627 OD1 ASP A 320 -0.866 8.861 22.215 1.00 7.35 O ATOM 628 OD2 ASP A 320 0.433 7.629 23.399 1.00 7.87 O ATOM 629 N LEU A 321 -3.159 7.413 19.553 1.00 7.39 N ATOM 630 CA LEU A 321 -4.582 7.214 19.814 1.00 8.43 C ATOM 631 C LEU A 321 -4.914 5.750 19.911 1.00 9.59 C ATOM 632 O LEU A 321 -5.770 5.375 20.746 1.00 10.95 O ATOM 633 CB LEU A 321 -5.399 7.856 18.666 1.00 8.66 C ATOM 634 CG LEU A 321 -5.566 9.358 18.809 1.00 8.48 C ATOM 635 CD1 LEU A 321 -5.932 9.946 17.434 1.00 11.59 C ATOM 636 CD2 LEU A 321 -6.621 9.670 19.852 1.00 10.78 C ATOM 637 N ASN A 322 -4.336 4.915 19.068 1.00 9.09 N ATOM 638 CA AASN A 322 -4.744 3.501 19.016 0.50 10.43 C ATOM 639 CA BASN A 322 -4.728 3.485 19.000 0.50 10.53 C ATOM 640 C ASN A 322 -4.192 2.705 20.184 1.00 11.03 C ATOM 641 O ASN A 322 -4.933 2.061 20.896 1.00 11.23 O ATOM 642 CB AASN A 322 -4.340 2.874 17.685 0.50 10.09 C ATOM 643 CB BASN A 322 -4.254 2.832 17.694 0.50 9.92 C ATOM 644 CG AASN A 322 -4.962 3.609 16.479 0.50 12.35 C ATOM 645 CG BASN A 322 -5.189 3.135 16.500 0.50 13.88 C ATOM 646 OD1AASN A 322 -4.298 4.405 15.807 0.50 16.87 O ATOM 647 OD1BASN A 322 -5.065 2.532 15.435 0.50 20.32 O ATOM 648 ND2AASN A 322 -6.221 3.312 16.189 0.50 13.34 N ATOM 649 ND2BASN A 322 -6.106 4.073 16.681 0.50 13.00 N ATOM 650 N GLN A 323 -2.905 2.828 20.438 1.00 13.10 N ATOM 651 CA GLN A 323 -2.320 2.156 21.577 1.00 12.40 C ATOM 652 C GLN A 323 -1.424 3.122 22.322 1.00 8.95 C ATOM 653 O GLN A 323 -0.403 3.583 21.760 1.00 10.64 O ATOM 654 CB GLN A 323 -1.552 0.953 21.070 1.00 13.20 C ATOM 655 CG GLN A 323 -0.769 0.253 22.193 1.00 18.25 C ATOM 656 CD GLN A 323 -0.208 -1.069 21.759 1.00 28.66 C ATOM 657 OE1 GLN A 323 0.717 -1.135 20.947 1.00 26.32 O ATOM 658 NE2 GLN A 323 -0.741 -2.144 22.332 1.00 30.11 N ATOM 659 N GLU A 324 -1.817 3.501 23.523 1.00 10.20 N ATOM 660 CA GLU A 324 -1.092 4.452 24.327 1.00 11.03 C ATOM 661 C GLU A 324 0.354 4.084 24.409 1.00 11.14 C ATOM 662 O GLU A 324 0.693 2.911 24.687 1.00 14.18 O ATOM 663 CB GLU A 324 -1.730 4.543 25.720 1.00 11.84 C ATOM 664 CG GLU A 324 -0.997 5.482 26.645 1.00 11.64 C ATOM 665 CD GLU A 324 -1.006 6.954 26.158 1.00 7.98 C ATOM 666 OE1 GLU A 324 -2.010 7.414 25.549 1.00 8.31 O ATOM 667 OE2 GLU A 324 0.036 7.636 26.351 1.00 11.05 O ATOM 668 N GLY A 325 1.221 5.041 24.075 1.00 10.79 N ATOM 669 CA GLY A 325 2.649 4.820 24.119 1.00 11.79 C ATOM 670 C GLY A 325 3.217 4.285 22.822 1.00 11.00 C ATOM 671 O GLY A 325 4.473 4.216 22.673 1.00 14.74 O ATOM 672 N THR A 326 2.372 3.824 21.918 1.00 10.61 N ATOM 673 CA THR A 326 2.866 3.344 20.617 1.00 13.42 C ATOM 674 C THR A 326 2.510 4.381 19.561 1.00 10.02 C ATOM 675 O THR A 326 1.341 4.581 19.229 1.00 11.58 O ATOM 676 CB THR A 326 2.268 1.971 20.256 1.00 15.97 C ATOM 677 OG1 THR A 326 2.793 0.997 21.167 1.00 21.66 O ATOM 678 CG2 THR A 326 2.616 1.533 18.842 1.00 14.19 C ATOM 679 N TRP A 327 3.505 5.127 19.121 1.00 8.49 N ATOM 680 CA TRP A 327 3.271 6.246 18.230 1.00 7.52 C ATOM 681 C TRP A 327 3.345 5.760 16.788 1.00 6.84 C ATOM 682 O TRP A 327 4.229 4.953 16.418 1.00 10.88 O ATOM 683 CB TRP A 327 4.269 7.398 18.517 1.00 8.03 C ATOM 684 CG TRP A 327 3.969 8.048 19.808 1.00 8.02 C ATOM 685 CD1 TRP A 327 4.376 7.619 21.040 1.00 8.46 C ATOM 686 CD2 TRP A 327 3.126 9.166 20.029 1.00 7.53 C ATOM 687 NE1 TRP A 327 3.832 8.411 22.030 1.00 9.93 N ATOM 688 CE2 TRP A 327 3.052 9.376 21.422 1.00 7.51 C ATOM 689 CE3 TRP A 327 2.412 10.023 19.181 1.00 7.24 C ATOM 690 CZ2 TRP A 327 2.307 10.422 21.974 1.00 6.73 C ATOM 691 CZ3 TRP A 327 1.680 11.047 19.738 1.00 7.05 C ATOM 692 CH2 TRP A 327 1.630 11.231 21.126 1.00 7.69 C ATOM 693 N GLN A 328 2.369 6.157 15.997 1.00 7.19 N ATOM 694 CA AGLN A 328 2.403 5.747 14.610 0.50 7.42 C ATOM 695 CA BGLN A 328 2.232 5.689 14.618 0.50 6.35 C ATOM 696 C GLN A 328 1.967 6.881 13.683 1.00 6.59 C ATOM 697 O GLN A 328 1.141 7.728 14.034 1.00 7.07 O ATOM 698 CB AGLN A 328 1.589 4.470 14.423 0.50 11.04 C ATOM 699 CB BGLN A 328 1.044 4.737 14.554 0.50 6.71 C ATOM 700 CG AGLN A 328 0.126 4.695 14.322 0.50 12.78 C ATOM 701 CG BGLN A 328 0.867 4.146 13.176 0.50 4.57 C ATOM 702 CD AGLN A 328 -0.680 3.390 14.237 0.50 14.28 C ATOM 703 CD BGLN A 328 -0.235 3.122 13.117 0.50 6.14 C ATOM 704 OE1AGLN A 328 -0.120 2.285 14.249 0.50 17.22 O ATOM 705 OE1BGLN A 328 -1.409 3.451 13.205 0.50 13.61 O ATOM 706 NE2AGLN A 328 -2.005 3.525 14.291 0.50 22.98 N ATOM 707 NE2BGLN A 328 0.142 1.893 12.860 0.50 13.54 N ATOM 708 N TRP A 329 2.661 6.982 12.562 1.00 6.51 N ATOM 709 CA TRP A 329 2.377 8.037 11.601 1.00 5.65 C ATOM 710 C TRP A 329 1.105 7.758 10.842 1.00 6.57 C ATOM 711 O TRP A 329 0.685 6.587 10.745 1.00 7.65 O ATOM 712 CB TRP A 329 3.549 8.131 10.610 1.00 6.80 C ATOM 713 CG TRP A 329 4.864 8.526 11.243 1.00 6.11 C ATOM 714 CD1 TRP A 329 5.860 7.681 11.639 1.00 7.24 C ATOM 715 CD2 TRP A 329 5.310 9.854 11.537 1.00 5.63 C ATOM 716 NE1 TRP A 329 6.903 8.407 12.173 1.00 7.35 N ATOM 717 CE2 TRP A 329 6.588 9.747 12.115 1.00 4.66 C ATOM 718 CE3 TRP A 329 4.738 11.123 11.400 1.00 5.18 C ATOM 719 CZ2 TRP A 329 7.307 10.866 12.605 1.00 6.26 C ATOM 720 CZ3 TRP A 329 5.452 12.223 11.896 1.00 5.76 C ATOM 721 CH2 TRP A 329 6.723 12.094 12.440 1.00 5.21 C ATOM 722 N VAL A 330 0.487 8.808 10.288 1.00 5.92 N ATOM 723 CA VAL A 330 -0.809 8.648 9.591 1.00 7.76 C ATOM 724 C VAL A 330 -0.703 7.820 8.313 1.00 9.51 C ATOM 725 O VAL A 330 -1.724 7.546 7.665 1.00 9.26 O ATOM 726 CB VAL A 330 -1.506 9.991 9.291 1.00 7.46 C ATOM 727 CG1 VAL A 330 -1.931 10.637 10.608 1.00 8.53 C ATOM 728 CG2 VAL A 330 -0.662 10.910 8.417 1.00 7.68 C ATOM 729 N ASP A 331 0.521 7.526 7.826 1.00 7.26 N ATOM 730 CA ASP A 331 0.675 6.614 6.684 1.00 8.48 C ATOM 731 C ASP A 331 0.823 5.178 7.149 1.00 9.40 C ATOM 732 O ASP A 331 1.057 4.298 6.308 1.00 10.35 O ATOM 733 CB ASP A 331 1.835 7.069 5.782 1.00 9.35 C ATOM 734 CG ASP A 331 3.172 6.872 6.438 1.00 8.35 C ATOM 735 OD1 ASP A 331 3.237 6.559 7.641 1.00 9.25 O ATOM 736 OD2 ASP A 331 4.164 7.060 5.675 1.00 10.07 O ATOM 737 N GLY A 332 0.715 4.947 8.450 1.00 8.07 N ATOM 738 CA GLY A 332 0.813 3.611 9.020 1.00 10.82 C ATOM 739 C GLY A 332 2.193 3.207 9.497 1.00 11.55 C ATOM 740 O GLY A 332 2.305 2.216 10.202 1.00 13.26 O ATOM 741 N SER A 333 3.226 4.009 9.209 1.00 10.22 N ATOM 742 CA ASER A 333 4.576 3.631 9.612 0.60 10.51 C ATOM 743 CA BSER A 333 4.606 3.669 9.632 0.40 11.28 C ATOM 744 C SER A 333 4.787 3.882 11.100 1.00 10.15 C ATOM 745 O SER A 333 4.205 4.801 11.649 1.00 8.43 O ATOM 746 CB ASER A 333 5.595 4.386 8.759 0.60 10.38 C ATOM 747 CB BSER A 333 5.612 4.584 8.970 0.40 11.87 C ATOM 748 OG ASER A 333 5.515 5.795 8.922 0.60 6.60 O ATOM 749 OG BSER A 333 5.343 4.686 7.612 0.40 14.24 O ATOM 750 N PRO A 334 5.569 3.039 11.764 1.00 9.58 N ATOM 751 CA PRO A 334 5.847 3.172 13.172 1.00 10.62 C ATOM 752 C PRO A 334 6.817 4.303 13.423 1.00 8.51 C ATOM 753 O PRO A 334 7.627 4.660 12.547 1.00 10.52 O ATOM 754 CB PRO A 334 6.539 1.847 13.517 1.00 10.74 C ATOM 755 CG PRO A 334 7.213 1.450 12.227 1.00 12.74 C ATOM 756 CD PRO A 334 6.215 1.831 11.167 1.00 11.72 C ATOM 757 N LEU A 335 6.725 4.886 14.609 1.00 9.32 N ATOM 758 CA LEU A 335 7.772 5.808 15.036 1.00 9.22 C ATOM 759 C LEU A 335 9.056 5.011 15.331 1.00 10.90 C ATOM 760 O LEU A 335 9.110 4.175 16.270 1.00 12.10 O ATOM 761 CB LEU A 335 7.323 6.584 16.251 1.00 8.68 C ATOM 762 CG LEU A 335 8.336 7.612 16.772 1.00 7.27 C ATOM 763 CD1 LEU A 335 8.549 8.684 15.712 1.00 8.60 C ATOM 764 CD2 LEU A 335 7.852 8.197 18.086 1.00 9.56 C ATOM 765 N LEU A 336 10.095 5.296 14.561 1.00 10.87 N ATOM 766 CA LEU A 336 11.372 4.605 14.799 1.00 11.21 C ATOM 767 C LEU A 336 12.065 5.069 16.073 1.00 11.82 C ATOM 768 O LEU A 336 12.004 6.244 16.427 1.00 11.24 O ATOM 769 CB LEU A 336 12.312 4.834 13.647 1.00 12.06 C ATOM 770 CG LEU A 336 11.738 4.325 12.332 1.00 12.79 C ATOM 771 CD1 LEU A 336 12.577 4.800 11.158 1.00 17.72 C ATOM 772 CD2 LEU A 336 11.616 2.794 12.309 1.00 17.16 C ATOM 773 N PRO A 337 12.749 4.150 16.771 1.00 12.16 N ATOM 774 CA PRO A 337 13.319 4.565 18.054 1.00 13.17 C ATOM 775 C PRO A 337 14.242 5.738 17.955 1.00 11.59 C ATOM 776 O PRO A 337 14.266 6.560 18.893 1.00 13.50 O ATOM 777 CB PRO A 337 14.094 3.346 18.546 1.00 15.31 C ATOM 778 CG PRO A 337 13.707 2.216 17.667 1.00 18.53 C ATOM 779 CD PRO A 337 12.775 2.681 16.583 1.00 14.91 C ATOM 780 N SER A 338 15.004 5.851 16.888 1.00 10.73 N ATOM 781 CA SER A 338 15.899 6.969 16.727 1.00 13.04 C ATOM 782 C SER A 338 15.168 8.318 16.657 1.00 12.36 C ATOM 783 O SER A 338 15.647 9.321 17.193 1.00 14.16 O ATOM 784 CB SER A 338 16.808 6.741 15.509 1.00 14.11 C ATOM 785 OG SER A 338 16.066 6.712 14.317 1.00 18.62 O ATOM 786 N PHE A 339 13.956 8.328 16.085 1.00 9.86 N ATOM 787 CA APHE A 339 13.196 9.571 15.997 0.50 8.83 C ATOM 788 CA BPHE A 339 13.217 9.585 16.008 0.50 9.10 C ATOM 789 C PHE A 339 12.704 10.046 17.371 1.00 8.50 C ATOM 790 O PHE A 339 12.300 11.184 17.524 1.00 7.53 O ATOM 791 CB APHE A 339 12.001 9.392 15.067 0.50 7.26 C ATOM 792 CB BPHE A 339 12.053 9.471 15.033 0.50 8.10 C ATOM 793 CG APHE A 339 12.344 9.473 13.585 0.50 9.93 C ATOM 794 CG BPHE A 339 12.466 9.561 13.578 0.50 11.38 C ATOM 795 CD1APHE A 339 11.515 10.154 12.711 0.50 8.74 C ATOM 796 CD1BPHE A 339 12.570 10.792 12.944 0.50 12.96 C ATOM 797 CD2APHE A 339 13.461 8.854 13.068 0.50 12.22 C ATOM 798 CD2BPHE A 339 12.721 8.417 12.842 0.50 13.92 C ATOM 799 CE1APHE A 339 11.789 10.226 11.351 0.50 9.96 C ATOM 800 CE1BPHE A 339 12.959 10.880 11.601 0.50 14.66 C ATOM 801 CE2APHE A 339 13.763 8.964 11.713 0.50 13.89 C ATOM 802 CE2BPHE A 339 13.066 8.508 11.487 0.50 13.50 C ATOM 803 CZ APHE A 339 12.898 9.616 10.864 0.50 9.91 C ATOM 804 CZ BPHE A 339 13.210 9.739 10.889 0.50 15.52 C ATOM 805 N LYS A 340 12.723 9.154 18.373 1.00 7.12 N ATOM 806 CA LYS A 340 12.292 9.544 19.701 1.00 7.91 C ATOM 807 C LYS A 340 13.200 10.567 20.368 1.00 7.57 C ATOM 808 O LYS A 340 12.776 11.277 21.259 1.00 8.02 O ATOM 809 CB LYS A 340 12.079 8.315 20.604 1.00 7.36 C ATOM 810 CG LYS A 340 10.974 7.410 20.090 1.00 9.94 C ATOM 811 CD LYS A 340 10.875 6.092 20.939 1.00 8.83 C ATOM 812 CE LYS A 340 9.826 5.146 20.351 1.00 10.16 C ATOM 813 NZ LYS A 340 9.735 3.832 21.109 1.00 13.93 N ATOM 814 N GLN A 341 14.397 10.754 19.810 1.00 7.31 N ATOM 815 CA AGLN A 341 15.256 11.867 20.149 0.50 7.93 C ATOM 816 CA BGLN A 341 15.242 11.862 20.194 0.50 7.84 C ATOM 817 C GLN A 341 14.610 13.220 19.931 1.00 6.63 C ATOM 818 O GLN A 341 15.042 14.218 20.518 1.00 9.16 O ATOM 819 CB AGLN A 341 16.554 11.797 19.338 0.50 8.83 C ATOM 820 CB BGLN A 341 16.620 11.798 19.512 0.50 9.43 C ATOM 821 CG AGLN A 341 16.913 10.374 19.015 0.50 17.47 C ATOM 822 CG BGLN A 341 16.617 12.270 18.083 0.50 14.90 C ATOM 823 CD AGLN A 341 18.272 10.002 19.470 0.50 29.03 C ATOM 824 CD BGLN A 341 18.009 12.271 17.463 0.50 19.74 C ATOM 825 OE1AGLN A 341 19.269 10.338 18.832 0.50 35.05 O ATOM 826 OE1BGLN A 341 18.817 13.181 17.700 0.50 19.26 O ATOM 827 NE2AGLN A 341 18.342 9.316 20.604 0.50 34.38 N ATOM 828 NE2BGLN A 341 18.313 11.227 16.704 0.50 21.38 N ATOM 829 N TYR A 342 13.568 13.285 19.082 1.00 6.41 N ATOM 830 CA TYR A 342 13.010 14.604 18.773 1.00 6.71 C ATOM 831 C TYR A 342 11.967 15.095 19.774 1.00 6.19 C ATOM 832 O TYR A 342 11.653 16.261 19.829 1.00 7.18 O ATOM 833 CB TYR A 342 12.438 14.630 17.360 1.00 6.44 C ATOM 834 CG TYR A 342 13.515 14.317 16.326 1.00 7.47 C ATOM 835 CD1 TYR A 342 13.330 13.308 15.411 1.00 7.92 C ATOM 836 CD2 TYR A 342 14.750 14.961 16.374 1.00 10.85 C ATOM 837 CE1 TYR A 342 14.380 12.977 14.474 1.00 10.89 C ATOM 838 CE2 TYR A 342 15.764 14.682 15.443 1.00 10.28 C ATOM 839 CZ TYR A 342 15.555 13.674 14.557 1.00 10.38 C ATOM 840 OH TYR A 342 16.540 13.443 13.608 1.00 14.89 O ATOM 841 N TRP A 343 11.461 14.190 20.619 1.00 5.60 N ATOM 842 CA TRP A 343 10.602 14.648 21.745 1.00 6.20 C ATOM 843 C TRP A 343 11.316 15.685 22.576 1.00 7.60 C ATOM 844 O TRP A 343 12.483 15.451 22.930 1.00 8.12 O ATOM 845 CB TRP A 343 10.188 13.466 22.662 1.00 5.53 C ATOM 846 CG TRP A 343 9.269 12.445 22.018 1.00 6.13 C ATOM 847 CD1 TRP A 343 9.558 11.116 21.800 1.00 6.08 C ATOM 848 CD2 TRP A 343 7.890 12.628 21.593 1.00 5.92 C ATOM 849 NE1 TRP A 343 8.474 10.476 21.250 1.00 6.86 N ATOM 850 CE2 TRP A 343 7.438 11.377 21.130 1.00 4.71 C ATOM 851 CE3 TRP A 343 6.989 13.709 21.621 1.00 4.52 C ATOM 852 CZ2 TRP A 343 6.149 11.170 20.658 1.00 6.02 C ATOM 853 CZ3 TRP A 343 5.685 13.509 21.150 1.00 5.68 C ATOM 854 CH2 TRP A 343 5.283 12.263 20.668 1.00 6.55 C ATOM 855 N ASN A 344 10.635 16.740 22.984 1.00 7.10 N ATOM 856 CA ASN A 344 11.171 17.664 24.012 1.00 7.83 C ATOM 857 C ASN A 344 11.496 16.846 25.272 1.00 8.52 C ATOM 858 O ASN A 344 10.889 15.817 25.538 1.00 8.10 O ATOM 859 CB ASN A 344 10.166 18.737 24.367 1.00 7.81 C ATOM 860 CG ASN A 344 10.001 19.753 23.258 1.00 8.27 C ATOM 861 OD1 ASN A 344 10.937 20.018 22.521 1.00 10.17 O ATOM 862 ND2 ASN A 344 8.863 20.381 23.200 1.00 8.29 N ATOM 863 N ARG A 345 12.461 17.328 26.043 1.00 9.34 N ATOM 864 CA ARG A 345 12.701 16.761 27.375 1.00 12.75 C ATOM 865 C ARG A 345 11.400 16.661 28.141 1.00 9.44 C ATOM 866 O ARG A 345 10.663 17.596 28.226 1.00 11.07 O ATOM 867 CB ARG A 345 13.693 17.669 28.142 1.00 13.00 C ATOM 868 CG ARG A 345 15.135 17.432 27.723 1.00 25.84 C ATOM 869 CD ARG A 345 15.476 15.939 27.609 1.00 34.99 C ATOM 870 NE ARG A 345 15.770 15.336 28.909 1.00 36.37 N ATOM 871 CZ ARG A 345 16.940 15.427 29.533 1.00 32.57 C ATOM 872 NH1 ARG A 345 17.957 16.075 28.968 1.00 34.28 N ATOM 873 NH2 ARG A 345 17.082 14.861 30.718 1.00 26.62 N ATOM 874 N GLY A 346 11.174 15.482 28.705 1.00 9.71 N ATOM 875 CA GLY A 346 9.972 15.272 29.503 1.00 11.06 C ATOM 876 C GLY A 346 8.757 14.830 28.703 1.00 10.01 C ATOM 877 O GLY A 346 7.708 14.622 29.283 1.00 10.18 O ATOM 878 N GLU A 347 8.901 14.668 27.373 1.00 7.67 N ATOM 879 CA GLU A 347 7.799 14.196 26.519 1.00 5.67 C ATOM 880 C GLU A 347 8.138 12.870 25.900 1.00 6.75 C ATOM 881 O GLU A 347 9.315 12.523 25.724 1.00 7.37 O ATOM 882 CB GLU A 347 7.564 15.227 25.415 1.00 6.24 C ATOM 883 CG GLU A 347 7.419 16.669 25.907 1.00 6.86 C ATOM 884 CD GLU A 347 6.218 16.980 26.755 1.00 6.46 C ATOM 885 OE1 GLU A 347 5.301 16.136 26.861 1.00 7.92 O ATOM 886 OE2 GLU A 347 6.198 18.077 27.364 1.00 9.73 O ATOM 887 N PRO A 348 7.154 12.110 25.484 1.00 6.97 N ATOM 888 CA PRO A 348 5.731 12.380 25.673 1.00 6.17 C ATOM 889 C PRO A 348 5.332 12.036 27.113 1.00 7.17 C ATOM 890 O PRO A 348 5.747 11.028 27.674 1.00 9.90 O ATOM 891 CB PRO A 348 5.068 11.453 24.649 1.00 6.11 C ATOM 892 CG PRO A 348 6.020 10.231 24.600 1.00 8.45 C ATOM 893 CD PRO A 348 7.385 10.822 24.801 1.00 6.16 C ATOM 894 N ASN A 349 4.500 12.876 27.686 1.00 6.52 N ATOM 895 CA ASN A 349 4.105 12.682 29.108 1.00 7.59 C ATOM 896 C ASN A 349 2.622 12.349 29.351 1.00 7.82 C ATOM 897 O ASN A 349 2.222 12.052 30.508 1.00 8.53 O ATOM 898 CB ASN A 349 4.568 13.865 29.946 1.00 7.53 C ATOM 899 CG ASN A 349 3.941 15.188 29.530 1.00 7.13 C ATOM 900 OD1 ASN A 349 3.115 15.273 28.603 1.00 6.53 O ATOM 901 ND2 ASN A 349 4.412 16.246 30.160 1.00 8.50 N ATOM 902 N ASN A 350 1.830 12.359 28.264 1.00 7.75 N ATOM 903 CA ASN A 350 0.428 11.964 28.331 1.00 7.84 C ATOM 904 C ASN A 350 -0.381 12.705 29.383 1.00 9.15 C ATOM 905 O ASN A 350 -1.291 12.092 29.993 1.00 11.48 O ATOM 906 CB ASN A 350 0.324 10.447 28.513 1.00 7.88 C ATOM 907 CG ASN A 350 -1.014 9.917 28.005 1.00 9.28 C ATOM 908 OD1 ASN A 350 -1.473 10.221 26.891 1.00 7.46 O ATOM 909 ND2 ASN A 350 -1.662 9.065 28.822 1.00 11.98 N ATOM 910 N VAL A 351 -0.049 13.946 29.667 1.00 10.42 N ATOM 911 CA AVAL A 351 -0.703 14.614 30.807 0.50 13.08 C ATOM 912 CA BVAL A 351 -0.695 14.580 30.817 0.50 13.19 C ATOM 913 C VAL A 351 -2.159 14.880 30.561 1.00 15.53 C ATOM 914 O VAL A 351 -2.524 15.617 29.644 1.00 16.73 O ATOM 915 CB AVAL A 351 0.020 15.890 31.239 0.50 14.88 C ATOM 916 CB BVAL A 351 0.068 15.787 31.418 0.50 16.33 C ATOM 917 CG1AVAL A 351 1.398 15.588 31.502 0.50 12.49 C ATOM 918 CG1BVAL A 351 0.724 16.661 30.396 0.50 15.66 C ATOM 919 CG2AVAL A 351 -0.116 17.017 30.252 0.50 17.52 C ATOM 920 CG2BVAL A 351 -0.927 16.614 32.236 0.50 12.16 C ATOM 921 N GLY A 352 -3.012 14.238 31.350 1.00 18.89 N ATOM 922 CA GLY A 352 -4.430 14.332 31.103 1.00 20.08 C ATOM 923 C GLY A 352 -4.938 13.531 29.918 1.00 21.85 C ATOM 924 O GLY A 352 -6.079 13.697 29.512 1.00 26.17 O ATOM 925 N GLU A 353 -4.093 12.665 29.341 1.00 16.62 N ATOM 926 CA GLU A 353 -4.335 11.993 28.042 1.00 15.00 C ATOM 927 C GLU A 353 -4.031 12.925 26.888 1.00 15.11 C ATOM 928 O GLU A 353 -4.729 13.898 26.678 1.00 17.54 O ATOM 929 CB GLU A 353 -5.726 11.374 27.859 1.00 16.56 C ATOM 930 CG GLU A 353 -6.031 10.120 28.677 1.00 20.62 C ATOM 931 CD GLU A 353 -5.060 8.977 28.471 1.00 20.37 C ATOM 932 OE1 GLU A 353 -4.492 8.761 27.342 1.00 16.42 O ATOM 933 OE2 GLU A 353 -4.969 8.172 29.418 1.00 23.69 O ATOM 934 N GLU A 354 -2.881 12.700 26.277 1.00 9.24 N ATOM 935 CA GLU A 354 -2.402 13.488 25.112 1.00 8.62 C ATOM 936 C GLU A 354 -1.988 12.503 24.062 1.00 6.60 C ATOM 937 O GLU A 354 -1.026 11.737 24.278 1.00 7.54 O ATOM 938 CB GLU A 354 -1.236 14.368 25.541 1.00 8.25 C ATOM 939 CG GLU A 354 -1.638 15.416 26.585 1.00 7.56 C ATOM 940 CD GLU A 354 -0.509 16.289 27.017 1.00 8.06 C ATOM 941 OE1 GLU A 354 0.637 15.822 27.213 1.00 6.82 O ATOM 942 OE2 GLU A 354 -0.744 17.526 27.112 1.00 10.39 O ATOM 943 N ASP A 355 -2.696 12.485 22.945 1.00 5.85 N ATOM 944 CA ASP A 355 -2.491 11.417 21.986 1.00 5.29 C ATOM 945 C ASP A 355 -2.041 11.839 20.560 1.00 5.61 C ATOM 946 O ASP A 355 -1.969 11.008 19.679 1.00 6.31 O ATOM 947 CB ASP A 355 -3.702 10.466 21.915 1.00 7.65 C ATOM 948 CG ASP A 355 -3.943 9.722 23.208 1.00 9.07 C ATOM 949 OD1 ASP A 355 -3.098 9.636 24.108 1.00 8.33 O ATOM 950 OD2 ASP A 355 -5.054 9.120 23.285 1.00 10.25 O ATOM 951 N CYS A 356 -1.736 13.126 20.391 1.00 5.36 N ATOM 952 CA CYS A 356 -1.351 13.681 19.087 1.00 4.69 C ATOM 953 C CYS A 356 -0.078 14.471 19.264 1.00 4.84 C ATOM 954 O CYS A 356 0.138 15.142 20.286 1.00 5.94 O ATOM 955 CB CYS A 356 -2.507 14.515 18.494 1.00 5.74 C ATOM 956 SG CYS A 356 -3.914 13.496 18.019 1.00 7.02 S ANISOU 956 SG CYS A 356 672 1023 971 9 92 189 S ATOM 957 N ALA A 357 0.792 14.434 18.257 1.00 5.67 N ATOM 958 CA ALA A 357 2.084 15.109 18.339 1.00 4.39 C ATOM 959 C ALA A 357 2.111 16.418 17.601 1.00 4.70 C ATOM 960 O ALA A 357 1.584 16.504 16.484 1.00 5.38 O ATOM 961 CB ALA A 357 3.173 14.208 17.780 1.00 5.63 C ATOM 962 N GLU A 358 2.792 17.376 18.218 1.00 4.88 N ATOM 963 CA GLU A 358 2.976 18.733 17.643 1.00 5.30 C ATOM 964 C GLU A 358 4.439 19.088 17.697 1.00 5.52 C ATOM 965 O GLU A 358 5.192 18.618 18.559 1.00 5.32 O ATOM 966 CB GLU A 358 2.182 19.763 18.424 1.00 7.31 C ATOM 967 CG GLU A 358 2.638 19.872 19.902 1.00 7.88 C ATOM 968 CD GLU A 358 2.166 21.073 20.634 1.00 9.37 C ATOM 969 OE1 GLU A 358 2.443 21.157 21.858 1.00 10.94 O ATOM 970 OE2 GLU A 358 1.640 22.007 20.028 1.00 9.32 O ATOM 971 N PHE A 359 4.835 20.013 16.819 1.00 4.80 N ATOM 972 CA PHE A 359 6.074 20.747 16.974 1.00 4.80 C ATOM 973 C PHE A 359 5.839 21.805 18.001 1.00 6.87 C ATOM 974 O PHE A 359 4.919 22.616 17.868 1.00 7.70 O ATOM 975 CB PHE A 359 6.456 21.428 15.644 1.00 5.74 C ATOM 976 CG PHE A 359 6.656 20.477 14.504 1.00 4.58 C ATOM 977 CD1 PHE A 359 5.619 20.280 13.558 1.00 5.74 C ATOM 978 CD2 PHE A 359 7.847 19.797 14.309 1.00 5.93 C ATOM 979 CE1 PHE A 359 5.783 19.397 12.471 1.00 7.14 C ATOM 980 CE2 PHE A 359 8.033 18.946 13.183 1.00 5.18 C ATOM 981 CZ PHE A 359 7.006 18.776 12.297 1.00 6.56 C ATOM 982 N SER A 360 6.700 21.822 19.021 1.00 5.60 N ATOM 983 CA SER A 360 6.584 22.796 20.146 1.00 9.42 C ATOM 984 C SER A 360 7.977 23.240 20.542 1.00 9.41 C ATOM 985 O SER A 360 8.732 22.500 21.157 1.00 9.26 O ATOM 986 CB SER A 360 5.875 22.116 21.329 1.00 12.77 C ATOM 987 OG SER A 360 6.014 22.935 22.495 1.00 17.05 O ATOM 988 N GLY A 361 8.367 24.464 20.160 1.00 10.42 N ATOM 989 CA GLY A 361 9.735 24.908 20.461 1.00 10.09 C ATOM 990 C GLY A 361 10.754 24.185 19.612 1.00 9.46 C ATOM 991 O GLY A 361 10.632 24.189 18.371 1.00 11.28 O ATOM 992 N ASN A 362 11.719 23.539 20.240 1.00 10.28 N ATOM 993 CA ASN A 362 12.775 22.881 19.500 1.00 11.62 C ATOM 994 C ASN A 362 12.628 21.385 19.366 1.00 10.83 C ATOM 995 O ASN A 362 13.502 20.682 18.850 1.00 11.49 O ATOM 996 CB ASN A 362 14.138 23.161 20.136 1.00 15.01 C ATOM 997 CG ASN A 362 14.472 24.617 20.141 1.00 20.40 C ATOM 998 OD1 ASN A 362 14.349 25.314 19.121 1.00 26.64 O ATOM 999 ND2 ASN A 362 14.831 25.111 21.313 1.00 26.75 N ATOM 1000 N GLY A 363 11.484 20.869 19.796 1.00 7.74 N ATOM 1001 CA GLY A 363 11.201 19.458 19.611 1.00 6.92 C ATOM 1002 C GLY A 363 9.706 19.223 19.623 1.00 4.98 C ATOM 1003 O GLY A 363 8.916 20.109 19.314 1.00 6.57 O ATOM 1004 N TRP A 364 9.342 17.970 19.863 1.00 4.75 N ATOM 1005 CA TRP A 364 7.950 17.531 19.784 1.00 5.03 C ATOM 1006 C TRP A 364 7.301 17.474 21.149 1.00 6.73 C ATOM 1007 O TRP A 364 7.962 17.148 22.159 1.00 6.57 O ATOM 1008 CB TRP A 364 7.838 16.140 19.176 1.00 5.29 C ATOM 1009 CG TRP A 364 8.474 15.945 17.811 1.00 4.21 C ATOM 1010 CD1 TRP A 364 8.976 16.906 16.950 1.00 5.60 C ATOM 1011 CD2 TRP A 364 8.614 14.694 17.183 1.00 4.70 C ATOM 1012 NE1 TRP A 364 9.415 16.265 15.799 1.00 6.43 N ATOM 1013 CE2 TRP A 364 9.247 14.907 15.958 1.00 5.68 C ATOM 1014 CE3 TRP A 364 8.315 13.367 17.586 1.00 7.50 C ATOM 1015 CZ2 TRP A 364 9.546 13.856 15.093 1.00 7.02 C ATOM 1016 CZ3 TRP A 364 8.635 12.314 16.734 1.00 7.94 C ATOM 1017 CH2 TRP A 364 9.251 12.575 15.506 1.00 6.59 C ATOM 1018 N ASN A 365 5.994 17.701 21.182 1.00 5.94 N ATOM 1019 CA ASN A 365 5.200 17.527 22.402 1.00 5.20 C ATOM 1020 C ASN A 365 4.001 16.670 22.047 1.00 5.32 C ATOM 1021 O ASN A 365 3.422 16.801 20.955 1.00 6.42 O ATOM 1022 CB ASN A 365 4.760 18.880 22.976 1.00 5.36 C ATOM 1023 CG ASN A 365 3.857 18.739 24.187 1.00 6.12 C ATOM 1024 OD1 ASN A 365 4.111 17.907 25.079 1.00 6.48 O ATOM 1025 ND2 ASN A 365 2.787 19.506 24.203 1.00 7.97 N ATOM 1026 N ASP A 366 3.568 15.826 22.965 1.00 4.43 N ATOM 1027 CA ASP A 366 2.218 15.241 22.869 1.00 5.17 C ATOM 1028 C ASP A 366 1.197 16.160 23.536 1.00 5.44 C ATOM 1029 O ASP A 366 1.482 16.765 24.587 1.00 5.22 O ATOM 1030 CB ASP A 366 2.144 13.812 23.467 1.00 5.71 C ATOM 1031 CG ASP A 366 2.521 13.742 24.944 1.00 5.65 C ATOM 1032 OD1 ASP A 366 3.279 14.599 25.497 1.00 6.11 O ATOM 1033 OD2 ASP A 366 2.081 12.735 25.538 1.00 6.35 O ATOM 1034 N ASP A 367 0.097 16.381 22.813 1.00 5.69 N ATOM 1035 CA ASP A 367 -0.940 17.263 23.312 1.00 5.41 C ATOM 1036 C ASP A 367 -2.295 16.663 22.962 1.00 4.93 C ATOM 1037 O ASP A 367 -2.427 15.649 22.308 1.00 5.69 O ATOM 1038 CB ASP A 367 -0.752 18.709 22.749 1.00 7.76 C ATOM 1039 CG ASP A 367 -1.215 19.788 23.697 1.00 8.34 C ATOM 1040 OD1 ASP A 367 -2.016 19.527 24.629 1.00 10.09 O ATOM 1041 OD2 ASP A 367 -0.866 20.961 23.442 1.00 11.32 O ATOM 1042 N LYS A 368 -3.332 17.344 23.465 1.00 6.64 N ATOM 1043 CA LYS A 368 -4.742 16.904 23.285 1.00 7.37 C ATOM 1044 C LYS A 368 -5.149 17.016 21.836 1.00 6.57 C ATOM 1045 O LYS A 368 -5.084 18.102 21.271 1.00 7.71 O ATOM 1046 CB LYS A 368 -5.639 17.740 24.185 1.00 9.75 C ATOM 1047 CG LYS A 368 -5.379 17.417 25.675 1.00 14.45 C ATOM 1048 CD LYS A 368 -6.681 17.046 26.374 1.00 24.80 C ATOM 1049 CE LYS A 368 -6.430 16.579 27.809 1.00 23.74 C ATOM 1050 NZ LYS A 368 -7.096 15.263 27.858 1.00 29.70 N ATOM 1051 N CYS A 369 -5.613 15.907 21.284 1.00 6.17 N ATOM 1052 CA ACYS A 369 -5.955 15.884 19.863 0.70 6.84 C ATOM 1053 CA BCYS A 369 -6.030 15.798 19.892 0.15 9.34 C ATOM 1054 CA CCYS A 369 -6.003 15.827 19.879 0.15 9.09 C ATOM 1055 C CYS A 369 -7.079 16.836 19.494 1.00 8.06 C ATOM 1056 O CYS A 369 -7.180 17.227 18.325 1.00 7.96 O ATOM 1057 CB ACYS A 369 -6.393 14.482 19.437 0.70 6.06 C ATOM 1058 CB BCYS A 369 -6.593 14.395 19.662 0.15 10.28 C ATOM 1059 CB CCYS A 369 -6.519 14.427 19.559 0.15 10.36 C ATOM 1060 SG ACYS A 369 -5.055 13.241 19.664 0.70 5.66 S ANISOU 1060 SG ACYS A 369 554 787 808 0 18 238 S ATOM 1061 SG BCYS A 369 -7.548 14.193 18.160 0.15 37.78 S ANISOU 1061 SG BCYS A 369 4134 4860 5359 1587 488 1575 S ATOM 1062 SG CCYS A 369 -8.098 14.055 20.333 0.15 18.98 S ANISOU 1062 SG CCYS A 369 2419 1670 3122 -106 189 355 S ATOM 1063 N ASN A 370 -7.934 17.211 20.452 1.00 6.13 N ATOM 1064 CA ASN A 370 -9.031 18.116 20.101 1.00 4.93 C ATOM 1065 C ASN A 370 -8.652 19.571 20.262 1.00 5.94 C ATOM 1066 O ASN A 370 -9.485 20.465 20.059 1.00 7.88 O ATOM 1067 CB ASN A 370 -10.270 17.754 20.948 1.00 6.70 C ATOM 1068 CG ASN A 370 -11.536 18.264 20.365 1.00 7.20 C ATOM 1069 OD1 ASN A 370 -11.726 18.292 19.160 1.00 9.83 O ATOM 1070 ND2 ASN A 370 -12.486 18.565 21.255 1.00 9.13 N ATOM 1071 N LEU A 371 -7.376 19.894 20.537 1.00 5.59 N ATOM 1072 CA ALEU A 371 -6.914 21.278 20.528 0.75 6.89 C ATOM 1073 CA BLEU A 371 -6.905 21.263 20.549 0.25 6.59 C ATOM 1074 C LEU A 371 -6.681 21.739 19.115 1.00 6.83 C ATOM 1075 O LEU A 371 -6.132 21.007 18.302 1.00 6.96 O ATOM 1076 CB ALEU A 371 -5.614 21.421 21.308 0.75 8.01 C ATOM 1077 CB BLEU A 371 -5.606 21.313 21.351 0.25 7.00 C ATOM 1078 CG ALEU A 371 -5.692 21.476 22.822 0.75 9.42 C ATOM 1079 CG BLEU A 371 -5.027 22.657 21.769 0.25 6.18 C ATOM 1080 CD1ALEU A 371 -4.267 21.360 23.431 0.75 9.17 C ATOM 1081 CD1BLEU A 371 -6.086 23.565 22.391 0.25 8.58 C ATOM 1082 CD2ALEU A 371 -6.365 22.755 23.255 0.75 9.94 C ATOM 1083 CD2BLEU A 371 -3.895 22.482 22.747 0.25 5.68 C ATOM 1084 N ALA A 372 -7.092 22.949 18.820 1.00 7.45 N ATOM 1085 CA ALA A 372 -6.779 23.572 17.546 1.00 6.87 C ATOM 1086 C ALA A 372 -5.395 24.143 17.479 1.00 6.78 C ATOM 1087 O ALA A 372 -4.964 24.847 18.399 1.00 8.91 O ATOM 1088 CB ALA A 372 -7.822 24.640 17.200 1.00 9.43 C ATOM 1089 N LYS A 373 -4.652 23.709 16.456 1.00 5.40 N ATOM 1090 CA LYS A 373 -3.262 24.170 16.272 1.00 5.44 C ATOM 1091 C LYS A 373 -3.077 24.461 14.802 1.00 4.88 C ATOM 1092 O LYS A 373 -3.930 24.108 13.959 1.00 5.33 O ATOM 1093 CB LYS A 373 -2.233 23.133 16.734 1.00 5.96 C ATOM 1094 CG LYS A 373 -2.335 22.780 18.223 1.00 7.02 C ATOM 1095 CD LYS A 373 -1.289 21.750 18.586 1.00 7.09 C ATOM 1096 CE LYS A 373 -1.379 21.268 20.033 1.00 8.32 C ATOM 1097 NZ LYS A 373 -0.945 22.320 20.968 1.00 9.60 N ATOM 1098 N PHE A 374 -1.971 25.133 14.442 1.00 5.09 N ATOM 1099 CA PHE A 374 -1.615 25.166 13.043 1.00 3.92 C ATOM 1100 C PHE A 374 -1.269 23.760 12.580 1.00 5.78 C ATOM 1101 O PHE A 374 -1.092 22.843 13.397 1.00 4.82 O ATOM 1102 CB PHE A 374 -0.428 26.140 12.870 1.00 7.04 C ATOM 1103 CG PHE A 374 -0.755 27.557 13.282 1.00 7.11 C ATOM 1104 CD1 PHE A 374 -0.485 27.987 14.559 1.00 11.25 C ATOM 1105 CD2 PHE A 374 -1.367 28.407 12.390 1.00 8.60 C ATOM 1106 CE1 PHE A 374 -0.841 29.305 14.944 1.00 14.55 C ATOM 1107 CE2 PHE A 374 -1.762 29.685 12.759 1.00 11.67 C ATOM 1108 CZ PHE A 374 -1.447 30.144 14.009 1.00 11.70 C ATOM 1109 N TRP A 375 -1.200 23.569 11.276 1.00 5.42 N ATOM 1110 CA TRP A 375 -0.827 22.264 10.758 1.00 4.97 C ATOM 1111 C TRP A 375 0.058 22.416 9.540 1.00 4.82 C ATOM 1112 O TRP A 375 0.118 23.494 8.917 1.00 6.49 O ATOM 1113 CB TRP A 375 -2.093 21.416 10.464 1.00 6.57 C ATOM 1114 CG TRP A 375 -2.872 21.826 9.277 1.00 6.84 C ATOM 1115 CD1 TRP A 375 -2.682 21.401 7.973 1.00 8.81 C ATOM 1116 CD2 TRP A 375 -3.910 22.798 9.217 1.00 6.41 C ATOM 1117 NE1 TRP A 375 -3.547 22.020 7.136 1.00 7.03 N ATOM 1118 CE2 TRP A 375 -4.348 22.864 7.863 1.00 6.40 C ATOM 1119 CE3 TRP A 375 -4.553 23.598 10.179 1.00 6.08 C ATOM 1120 CZ2 TRP A 375 -5.336 23.773 7.422 1.00 7.32 C ATOM 1121 CZ3 TRP A 375 -5.520 24.490 9.750 1.00 7.60 C ATOM 1122 CH2 TRP A 375 -5.936 24.548 8.392 1.00 9.17 C ATOM 1123 N ILE A 376 0.719 21.333 9.192 1.00 4.86 N ATOM 1124 CA ILE A 376 1.576 21.286 7.981 1.00 5.30 C ATOM 1125 C ILE A 376 1.162 20.111 7.099 1.00 5.73 C ATOM 1126 O ILE A 376 1.084 18.984 7.601 1.00 6.35 O ATOM 1127 CB ILE A 376 3.047 21.152 8.337 1.00 5.52 C ATOM 1128 CG1 ILE A 376 3.525 22.421 9.012 1.00 6.99 C ATOM 1129 CG2 ILE A 376 3.893 20.898 7.085 1.00 7.60 C ATOM 1130 CD1 ILE A 376 4.886 22.281 9.654 1.00 10.41 C ATOM 1131 N CYS A 377 0.853 20.407 5.840 1.00 6.35 N ATOM 1132 CA ACYS A 377 0.609 19.336 4.868 0.75 5.92 C ATOM 1133 CA BCYS A 377 0.557 19.472 4.728 0.25 8.61 C ATOM 1134 C CYS A 377 1.853 19.127 4.030 1.00 6.53 C ATOM 1135 O CYS A 377 2.604 20.057 3.757 1.00 7.31 O ATOM 1136 CB ACYS A 377 -0.537 19.674 3.886 0.75 6.37 C ATOM 1137 CB BCYS A 377 -0.197 20.227 3.624 0.25 9.80 C ATOM 1138 SG ACYS A 377 -2.058 20.156 4.661 0.75 7.34 S ANISOU 1138 SG ACYS A 377 686 1143 959 102 188 -212 S ATOM 1139 SG BCYS A 377 -1.902 20.606 3.877 0.25 17.21 S ANISOU 1139 SG BCYS A 377 2226 2233 2077 500 -440 468 S ATOM 1140 N LYS A 378 2.020 17.896 3.571 1.00 5.78 N ATOM 1141 CA LYS A 378 3.142 17.499 2.704 1.00 5.18 C ATOM 1142 C LYS A 378 2.608 16.849 1.425 1.00 6.28 C ATOM 1143 O LYS A 378 1.705 16.000 1.479 1.00 6.99 O ATOM 1144 CB LYS A 378 4.051 16.550 3.473 1.00 5.47 C ATOM 1145 CG LYS A 378 5.245 15.966 2.680 1.00 5.51 C ATOM 1146 CD LYS A 378 6.016 14.993 3.580 1.00 6.60 C ATOM 1147 CE LYS A 378 7.123 14.284 2.840 1.00 7.87 C ATOM 1148 NZ LYS A 378 7.861 13.389 3.776 1.00 9.01 N ATOM 1149 N LYS A 379 3.157 17.241 0.288 1.00 6.73 N ATOM 1150 CA LYS A 379 2.786 16.628 -1.017 1.00 7.56 C ATOM 1151 C LYS A 379 4.020 16.690 -1.900 1.00 7.90 C ATOM 1152 O LYS A 379 4.788 17.625 -1.833 1.00 9.02 O ATOM 1153 CB LYS A 379 1.689 17.511 -1.645 1.00 11.91 C ATOM 1154 CG LYS A 379 0.880 16.953 -2.769 1.00 16.44 C ATOM 1155 CD LYS A 379 -0.198 18.007 -3.114 1.00 17.02 C ATOM 1156 CE LYS A 379 -0.879 17.748 -4.468 1.00 25.23 C ATOM 1157 NZ LYS A 379 -1.219 16.320 -4.697 1.00 25.95 N ATOM 1158 N SER A 380 4.197 15.730 -2.798 1.00 7.12 N ATOM 1159 CA ASER A 380 5.345 15.795 -3.704 0.50 8.03 C ATOM 1160 CA BSER A 380 5.306 15.769 -3.746 0.50 7.37 C ATOM 1161 C SER A 380 5.238 16.971 -4.656 1.00 7.86 C ATOM 1162 O SER A 380 4.157 17.302 -5.157 1.00 8.90 O ATOM 1163 CB ASER A 380 5.447 14.493 -4.488 0.50 9.27 C ATOM 1164 CB BSER A 380 5.209 14.516 -4.597 0.50 7.42 C ATOM 1165 OG ASER A 380 4.575 14.536 -5.589 0.50 14.54 O ATOM 1166 OG BSER A 380 6.288 14.469 -5.480 0.50 7.52 O ATOM 1167 N ALA A 381 6.373 17.596 -4.925 1.00 7.09 N ATOM 1168 CA ALA A 381 6.377 18.701 -5.887 1.00 8.66 C ATOM 1169 C ALA A 381 5.994 18.262 -7.294 1.00 10.08 C ATOM 1170 O ALA A 381 5.377 19.037 -8.033 1.00 12.94 O ATOM 1171 CB ALA A 381 7.761 19.359 -5.886 1.00 8.86 C ATOM 1172 N ALA A 382 6.324 17.031 -7.648 1.00 9.33 N ATOM 1173 CA ALA A 382 5.979 16.494 -8.955 1.00 14.61 C ATOM 1174 C ALA A 382 4.460 16.304 -9.101 1.00 16.47 C ATOM 1175 O ALA A 382 3.947 16.246 -10.232 1.00 20.47 O ATOM 1176 CB ALA A 382 6.696 15.220 -9.142 1.00 14.16 C ATOM 1177 N SER A 383 3.716 16.201 -8.002 1.00 17.13 N ATOM 1178 CA SER A 383 2.265 15.985 -8.063 1.00 22.11 C ATOM 1179 C SER A 383 1.407 17.253 -8.127 1.00 25.46 C ATOM 1180 O SER A 383 0.181 17.142 -8.191 1.00 27.09 O ATOM 1181 CB SER A 383 1.807 15.137 -6.876 1.00 22.67 C ATOM 1182 OG SER A 383 1.781 15.933 -5.704 1.00 23.49 O ATOM 1183 N CYS A 384 2.001 18.444 -7.993 1.00 26.16 N ATOM 1184 CA CYS A 384 1.186 19.687 -7.940 1.00 29.54 C ATOM 1185 C CYS A 384 0.295 19.851 -9.181 1.00 33.45 C ATOM 1186 O CYS A 384 0.508 19.182 -10.201 1.00 36.23 O ATOM 1187 CB CYS A 384 2.058 20.935 -7.761 1.00 28.46 C ATOM 1188 SG CYS A 384 3.033 20.935 -6.233 1.00 31.27 S TER 1189 CYS A 384 HETATM 1190 C1 MAN A1384 1.509 21.733 28.935 1.00 13.30 C HETATM 1191 C2 MAN A1384 1.061 20.874 27.766 1.00 12.33 C HETATM 1192 C3 MAN A1384 1.763 19.540 27.894 1.00 9.88 C HETATM 1193 C4 MAN A1384 3.250 19.644 28.060 1.00 9.27 C HETATM 1194 C5 MAN A1384 3.581 20.568 29.229 1.00 12.98 C HETATM 1195 C6 MAN A1384 5.069 20.750 29.244 1.00 18.98 C HETATM 1196 O1 MAN A1384 0.933 21.123 30.082 1.00 19.60 O HETATM 1197 O2 MAN A1384 1.524 21.511 26.557 1.00 16.30 O HETATM 1198 O3 MAN A1384 1.468 18.721 26.759 1.00 8.78 O HETATM 1199 O4 MAN A1384 3.731 18.278 28.154 1.00 8.28 O HETATM 1200 O5 MAN A1384 2.935 21.838 29.000 1.00 15.03 O HETATM 1201 O6 MAN A1384 5.420 21.659 30.302 1.00 28.87 O HETATM 1202 CBK 07B A1385 1.294 20.972 32.459 1.00 31.49 C HETATM 1203 CAR 07B A1385 0.066 20.098 32.694 1.00 35.64 C HETATM 1204 CBO 07B A1385 -1.188 20.966 32.797 1.00 41.43 C HETATM 1205 CBA 07B A1385 -2.433 20.149 32.984 1.00 46.97 C HETATM 1206 OAE 07B A1385 -3.270 20.526 33.781 1.00 53.78 O HETATM 1207 OAT 07B A1385 -2.720 18.969 32.178 1.00 48.41 O HETATM 1208 CAB 07B A1385 -4.046 18.432 32.106 1.00 45.77 C HETATM 1209 CBN 07B A1385 -1.355 21.862 31.572 1.00 38.75 C HETATM 1210 CAZ 07B A1385 -2.626 22.663 31.645 1.00 45.58 C HETATM 1211 OAD 07B A1385 -3.721 22.110 31.714 1.00 46.03 O HETATM 1212 OAS 07B A1385 -2.562 24.114 31.538 1.00 47.03 O HETATM 1213 CAA 07B A1385 -2.303 24.717 30.267 1.00 45.07 C HETATM 1214 CAQ 07B A1385 -0.153 22.787 31.427 1.00 31.17 C HETATM 1215 CBJ 07B A1385 1.090 21.920 31.270 1.00 31.46 C HETATM 1216 CA ETA A1386 3.462 23.232 33.941 1.00 50.93 C HETATM 1217 N ETA A1386 3.811 23.655 32.592 1.00 51.60 N HETATM 1218 C ETA A1386 2.979 21.781 33.935 1.00 46.79 C HETATM 1219 O ETA A1386 1.583 21.743 33.630 1.00 39.96 O HETATM 1220 CA CA A1387 2.833 16.607 26.629 1.00 6.36 CA2+ ANISOU 1220 CA CA A1387 916 990 507 227 81 86 CA2+ HETATM 1221 CA CA A1388 -0.864 9.364 24.729 1.00 7.46 CA2+ ANISOU 1221 CA CA A1388 940 1002 891 23 60 245 CA2+ HETATM 1222 CA CA A1389 -4.329 7.696 25.248 1.00 10.96 CA2+ ANISOU 1222 CA CA A1389 1365 1397 1399 -46 389 378 CA2+ HETATM 1223 CL CL A1390 -9.754 26.217 7.903 1.00 13.82 CL1- ANISOU 1223 CL CL A1390 2197 1485 1567 221 332 305 CL1- HETATM 1224 CL CL A1391 -4.861 28.057 6.224 1.00 41.88 CL1- ANISOU 1224 CL CL A1391 4400 7964 3547 3052 -477 -900 CL1- HETATM 1225 CL CL A1392 -3.705 11.046 5.654 1.00 26.13 CL1- ANISOU 1225 CL CL A1392 1742 2164 6021 -444 115 -1046 CL1- HETATM 1226 O HOH A2001 10.366 17.345 -8.336 1.00 9.80 O HETATM 1227 O HOH A2002 11.473 20.637 -13.224 1.00 43.17 O HETATM 1228 O HOH A2003 -1.657 28.096 -3.776 1.00 35.39 O HETATM 1229 O HOH A2004 1.704 30.720 -7.327 1.00 37.04 O HETATM 1230 O HOH A2005 3.760 27.196 3.491 1.00 14.87 O HETATM 1231 O HOH A2006 -3.765 24.881 -1.168 1.00 35.22 O HETATM 1232 O HOH A2007 14.067 24.826 0.985 1.00 6.94 O HETATM 1233 O HOH A2008 13.096 14.875 2.204 1.00 13.22 O HETATM 1234 O HOH A2009 13.023 13.046 -0.010 0.50 24.17 O HETATM 1235 O HOH A2010 18.294 19.835 0.831 1.00 17.40 O HETATM 1236 O HOH A2011 11.111 14.085 -3.086 1.00 14.76 O HETATM 1237 O HOH A2012 8.970 15.823 -6.463 1.00 8.95 O HETATM 1238 O HOH A2013 10.251 12.513 -0.207 1.00 19.32 O HETATM 1239 O AHOH A2014 6.279 12.774 -0.901 0.50 13.42 O HETATM 1240 O BHOH A2014 5.258 13.457 -0.205 0.50 12.17 O HETATM 1241 O HOH A2015 8.491 13.742 -3.519 1.00 12.66 O HETATM 1242 O HOH A2016 11.046 16.719 1.736 1.00 8.44 O HETATM 1243 O HOH A2017 1.941 30.082 7.146 1.00 25.55 O HETATM 1244 O HOH A2018 0.808 29.261 3.919 1.00 20.81 O HETATM 1245 O HOH A2019 -6.258 31.315 18.163 1.00 27.42 O HETATM 1246 O HOH A2020 -12.040 15.138 15.867 1.00 35.07 O HETATM 1247 O HOH A2021 -8.941 15.563 16.583 1.00 11.66 O HETATM 1248 O HOH A2022 -9.703 12.850 10.037 1.00 19.50 O HETATM 1249 O HOH A2023 -10.259 8.580 16.623 1.00 36.91 O HETATM 1250 O HOH A2024 -13.149 17.046 14.377 1.00 22.70 O HETATM 1251 O HOH A2025 -14.928 19.748 12.532 1.00 11.97 O HETATM 1252 O HOH A2026 -10.829 15.790 2.910 1.00 22.02 O HETATM 1253 O HOH A2027 -10.514 13.012 6.621 1.00 32.79 O HETATM 1254 O HOH A2028 -12.451 16.148 9.762 1.00 18.38 O HETATM 1255 O HOH A2029 -4.714 22.212 4.126 1.00 16.97 O HETATM 1256 O HOH A2030 -7.787 22.809 2.863 1.00 42.95 O HETATM 1257 O HOH A2031 -6.618 13.175 -0.917 1.00 29.12 O HETATM 1258 O HOH A2032 -9.575 10.473 7.126 1.00 27.39 O HETATM 1259 O HOH A2033 -9.542 23.563 0.495 1.00 38.98 O HETATM 1260 O HOH A2034 -12.266 24.853 0.184 1.00 38.82 O HETATM 1261 O HOH A2035 -13.063 17.377 3.052 1.00 28.01 O HETATM 1262 O HOH A2036 -0.481 21.034 -4.848 1.00 43.97 O HETATM 1263 O HOH A2037 0.024 13.533 -1.485 1.00 28.78 O HETATM 1264 O HOH A2038 -4.156 12.845 0.141 1.00 35.75 O HETATM 1265 O HOH A2039 -3.380 11.877 2.777 1.00 29.32 O HETATM 1266 O AHOH A2040 -1.038 7.219 3.618 0.50 9.91 O HETATM 1267 O BHOH A2040 -0.137 7.591 2.718 0.50 21.25 O HETATM 1268 O HOH A2041 3.343 12.821 4.445 1.00 12.04 O HETATM 1269 O HOH A2042 -3.794 14.053 5.911 1.00 8.83 O HETATM 1270 O HOH A2043 11.842 7.090 7.858 1.00 15.89 O HETATM 1271 O HOH A2044 8.294 4.677 5.699 1.00 25.20 O HETATM 1272 O AHOH A2045 21.236 14.707 10.034 0.50 22.39 O HETATM 1273 O BHOH A2045 21.587 12.831 7.836 0.50 31.84 O HETATM 1274 O HOH A2046 17.380 20.348 7.331 1.00 10.80 O HETATM 1275 O HOH A2047 22.835 15.501 6.566 1.00 19.99 O HETATM 1276 O AHOH A2048 19.213 11.489 7.050 0.50 12.32 O HETATM 1277 O BHOH A2048 18.575 12.793 6.888 0.50 9.06 O HETATM 1278 O AHOH A2049 19.831 16.306 3.194 0.50 9.28 O HETATM 1279 O BHOH A2049 21.777 17.684 4.753 0.50 22.47 O HETATM 1280 O HOH A2050 16.661 14.300 4.317 1.00 13.44 O HETATM 1281 O HOH A2051 12.505 13.140 4.102 1.00 10.76 O HETATM 1282 O HOH A2052 15.479 18.826 15.312 1.00 16.49 O HETATM 1283 O HOH A2053 19.813 19.246 8.839 1.00 21.03 O HETATM 1284 O HOH A2054 20.722 15.680 12.275 1.00 36.21 O HETATM 1285 O HOH A2055 16.085 22.599 13.433 1.00 25.39 O HETATM 1286 O HOH A2056 9.307 29.342 7.215 1.00 28.42 O HETATM 1287 O HOH A2057 9.212 28.687 19.569 1.00 34.05 O HETATM 1288 O HOH A2058 10.695 32.868 10.955 1.00 35.16 O HETATM 1289 O HOH A2059 9.249 30.263 10.584 1.00 27.58 O HETATM 1290 O HOH A2060 3.520 33.840 14.273 1.00 45.75 O HETATM 1291 O AHOH A2061 3.583 26.104 11.379 0.50 14.82 O HETATM 1292 O BHOH A2061 1.510 26.112 9.972 0.50 13.09 O HETATM 1293 O HOH A2062 4.126 29.793 8.913 1.00 38.94 O HETATM 1294 O HOH A2063 0.593 28.681 18.174 1.00 16.41 O HETATM 1295 O HOH A2064 -1.178 26.700 17.580 1.00 20.34 O HETATM 1296 O HOH A2065 -1.505 8.371 13.597 1.00 15.67 O HETATM 1297 O HOH A2066 -4.192 6.099 23.497 1.00 9.48 O HETATM 1298 O HOH A2067 -7.337 6.895 22.398 1.00 20.99 O HETATM 1299 O HOH A2068 -5.769 3.825 23.622 1.00 18.76 O HETATM 1300 O HOH A2069 -2.295 5.766 16.904 1.00 12.54 O HETATM 1301 O HOH A2070 -5.641 5.640 13.168 0.50 37.84 O HETATM 1302 O HOH A2071 -7.045 3.098 21.611 1.00 27.31 O HETATM 1303 O HOH A2072 2.169 -1.393 24.149 1.00 33.06 O HETATM 1304 O HOH A2073 0.126 -0.787 17.785 1.00 37.49 O HETATM 1305 O HOH A2074 -3.199 -3.914 23.440 1.00 46.35 O HETATM 1306 O HOH A2075 2.051 7.314 27.919 1.00 27.69 O HETATM 1307 O AHOH A2076 4.810 6.664 26.170 0.50 15.39 O HETATM 1308 O BHOH A2076 3.285 8.483 26.287 0.50 19.39 O HETATM 1309 O HOH A2077 -4.013 1.736 24.580 1.00 19.99 O HETATM 1310 O AHOH A2078 6.774 5.311 22.576 0.50 13.68 O HETATM 1311 O BHOH A2078 6.248 6.155 23.644 0.50 12.17 O HETATM 1312 O HOH A2079 -0.990 3.773 18.393 1.00 15.17 O HETATM 1313 O HOH A2080 2.759 1.182 23.947 1.00 24.55 O HETATM 1314 O HOH A2081 6.325 4.504 19.855 1.00 14.34 O HETATM 1315 O AHOH A2082 2.994 8.134 24.844 0.50 6.38 O HETATM 1316 O BHOH A2082 5.083 7.047 24.506 0.50 19.54 O HETATM 1317 O HOH A2083 5.107 2.485 16.601 1.00 26.81 O HETATM 1318 O AHOH A2084 -2.988 5.306 14.124 0.50 19.49 O HETATM 1319 O BHOH A2084 -2.957 6.355 12.915 0.50 19.45 O HETATM 1320 O HOH A2085 -0.850 1.604 17.045 1.00 29.79 O HETATM 1321 O HOH A2086 3.116 1.236 15.139 1.00 37.61 O HETATM 1322 O HOH A2087 1.469 -0.976 13.322 0.50 32.37 O HETATM 1323 O HOH A2088 0.271 4.837 3.452 1.00 19.20 O HETATM 1324 O HOH A2089 3.249 2.550 5.900 1.00 33.73 O HETATM 1325 O HOH A2090 4.011 9.159 3.958 1.00 26.86 O HETATM 1326 O HOH A2091 3.026 1.021 12.517 1.00 27.47 O HETATM 1327 O HOH A2092 -3.813 23.418 -3.566 1.00 39.78 O HETATM 1328 O HOH A2093 5.242 1.044 7.268 1.00 35.23 O HETATM 1329 O HOH A2094 7.791 2.482 6.772 1.00 39.50 O HETATM 1330 O HOH A2095 8.742 4.099 10.096 1.00 21.44 O HETATM 1331 O HOH A2096 9.415 10.447 -1.848 1.00 18.02 O HETATM 1332 O HOH A2097 7.238 11.420 -3.199 1.00 18.63 O HETATM 1333 O HOH A2098 9.754 1.132 15.435 1.00 37.82 O HETATM 1334 O HOH A2099 7.571 2.885 17.860 1.00 28.91 O HETATM 1335 O HOH A2100 9.710 7.284 12.395 1.00 12.13 O HETATM 1336 O HOH A2101 15.857 7.022 21.040 1.00 13.00 O HETATM 1337 O HOH A2102 15.586 3.696 14.716 1.00 17.42 O HETATM 1338 O HOH A2103 17.935 3.998 18.927 1.00 41.74 O HETATM 1339 O HOH A2104 9.014 4.213 23.739 1.00 13.72 O HETATM 1340 O HOH A2105 -12.233 12.875 11.086 1.00 27.84 O HETATM 1341 O HOH A2106 7.258 0.731 20.913 1.00 12.25 O HETATM 1342 O HOH A2107 17.891 15.692 19.054 1.00 41.96 O HETATM 1343 O HOH A2108 18.379 7.538 20.921 1.00 26.93 O HETATM 1344 O HOH A2109 -11.561 13.356 4.079 1.00 30.59 O HETATM 1345 O HOH A2110 -8.136 25.469 5.151 1.00 27.82 O HETATM 1346 O HOH A2111 -12.012 9.213 7.215 1.00 30.88 O HETATM 1347 O HOH A2112 -8.505 24.381 -2.206 1.00 42.95 O HETATM 1348 O HOH A2113 18.448 15.507 13.561 1.00 26.46 O HETATM 1349 O HOH A2114 0.767 11.726 0.506 1.00 38.97 O HETATM 1350 O HOH A2115 8.159 7.747 22.109 1.00 11.15 O HETATM 1351 O HOH A2116 13.622 20.288 22.741 1.00 27.36 O HETATM 1352 O HOH A2117 9.028 21.618 26.612 1.00 26.01 O HETATM 1353 O HOH A2118 9.647 23.464 24.607 1.00 37.84 O HETATM 1354 O AHOH A2119 9.895 6.647 9.697 0.50 9.82 O HETATM 1355 O BHOH A2119 9.745 8.108 9.648 0.50 16.10 O HETATM 1356 O AHOH A2120 13.477 20.166 25.543 0.50 9.34 O HETATM 1357 O BHOH A2120 14.079 19.487 25.179 0.50 15.45 O HETATM 1358 O HOH A2121 11.290 20.238 27.702 1.00 34.21 O HETATM 1359 O HOH A2122 14.997 23.813 15.804 1.00 23.79 O HETATM 1360 O HOH A2123 16.795 17.705 17.696 1.00 32.81 O HETATM 1361 O AHOH A2124 13.694 13.123 23.804 0.50 14.20 O HETATM 1362 O BHOH A2124 12.850 13.046 24.942 0.50 17.20 O HETATM 1363 O HOH A2125 8.238 18.785 29.052 1.00 19.19 O HETATM 1364 O HOH A2126 6.902 20.081 25.583 1.00 13.18 O HETATM 1365 O HOH A2127 10.420 11.058 27.975 1.00 12.21 O HETATM 1366 O HOH A2128 8.080 9.690 28.198 1.00 13.71 O HETATM 1367 O HOH A2129 -2.172 10.655 33.132 1.00 39.10 O HETATM 1368 O HOH A2130 -1.387 12.846 34.167 1.00 31.49 O HETATM 1369 O HOH A2131 -4.731 5.797 26.678 1.00 15.69 O HETATM 1370 O HOH A2133 7.579 7.572 26.321 0.50 17.33 O HETATM 1371 O HOH A2134 -7.191 10.858 23.144 1.00 27.42 O HETATM 1372 O HOH A2135 -6.680 7.634 25.335 1.00 18.40 O HETATM 1373 O HOH A2136 9.586 2.109 8.812 1.00 30.22 O HETATM 1374 O HOH A2137 1.427 23.165 23.312 1.00 23.05 O HETATM 1375 O HOH A2138 5.124 22.075 24.869 1.00 23.58 O HETATM 1376 O HOH A2139 7.597 24.506 23.779 1.00 37.81 O HETATM 1377 O HOH A2140 16.011 20.653 27.305 1.00 33.44 O HETATM 1378 O HOH A2141 6.833 26.203 18.415 1.00 30.84 O HETATM 1379 O HOH A2142 14.081 18.043 19.297 1.00 24.80 O HETATM 1380 O HOH A2143 15.550 21.257 17.040 1.00 27.24 O HETATM 1381 O HOH A2144 11.721 23.018 23.074 1.00 26.16 O HETATM 1382 O HOH A2145 -8.352 9.884 25.884 1.00 44.06 O HETATM 1383 O HOH A2146 -8.497 12.309 21.642 1.00 39.18 O HETATM 1384 O HOH A2147 1.304 10.236 25.241 1.00 7.51 O HETATM 1385 O HOH A2148 -1.565 22.398 25.609 1.00 24.49 O HETATM 1386 O HOH A2149 -10.416 16.220 25.025 1.00 27.08 O HETATM 1387 O HOH A2150 -7.763 13.854 25.823 1.00 33.21 O HETATM 1388 O HOH A2151 -5.812 13.457 23.211 1.00 4.45 O HETATM 1389 O HOH A2152 -8.497 15.692 23.065 1.00 12.45 O HETATM 1390 O HOH A2153 -14.090 17.001 18.425 1.00 27.66 O HETATM 1391 O HOH A2154 -10.965 15.738 18.302 1.00 31.62 O HETATM 1392 O HOH A2155 -12.359 17.840 24.151 1.00 21.27 O HETATM 1393 O HOH A2156 12.207 2.254 7.882 1.00 48.07 O HETATM 1394 O HOH A2157 -2.916 26.483 19.591 1.00 27.32 O HETATM 1395 O HOH A2158 -2.506 24.781 21.153 1.00 28.60 O HETATM 1396 O HOH A2159 5.765 11.249 3.693 1.00 13.27 O HETATM 1397 O HOH A2160 9.935 12.122 2.369 1.00 14.61 O HETATM 1398 O HOH A2161 2.799 13.379 1.678 1.00 18.48 O HETATM 1399 O HOH A2162 7.111 11.051 1.105 1.00 33.11 O HETATM 1400 O HOH A2163 2.293 13.485 -2.803 1.00 18.48 O HETATM 1401 O AHOH A2164 11.053 5.269 5.422 0.50 16.18 O HETATM 1402 O BHOH A2164 12.083 4.683 6.817 0.50 24.18 O HETATM 1403 O HOH A2165 4.983 21.387 -8.997 1.00 30.37 O HETATM 1404 O HOH A2166 3.022 23.108 25.465 1.00 30.99 O HETATM 1405 O HOH A2167 8.284 21.499 29.504 1.00 35.34 O CONECT 23 145 CONECT 145 23 CONECT 299 1138 1139 CONECT 627 1221 CONECT 628 1221 CONECT 666 1221 1222 CONECT 667 1221 CONECT 885 1220 CONECT 900 1220 CONECT 908 1221 CONECT 932 1222 CONECT 937 1221 CONECT 941 1220 CONECT 949 1221 1222 CONECT 950 1222 CONECT 956 1060 CONECT 1024 1220 CONECT 1029 1220 CONECT 1032 1220 CONECT 1060 956 CONECT 1138 299 CONECT 1139 299 CONECT 1190 1191 1196 1200 CONECT 1191 1190 1192 1197 CONECT 1192 1191 1193 1198 CONECT 1193 1192 1194 1199 CONECT 1194 1193 1195 1200 CONECT 1195 1194 1201 CONECT 1196 1190 1215 CONECT 1197 1191 CONECT 1198 1192 1220 CONECT 1199 1193 1220 CONECT 1200 1190 1194 CONECT 1201 1195 CONECT 1202 1203 1215 1219 CONECT 1203 1202 1204 CONECT 1204 1203 1205 1209 CONECT 1205 1204 1206 1207 CONECT 1206 1205 CONECT 1207 1205 1208 CONECT 1208 1207 CONECT 1209 1204 1210 1214 CONECT 1210 1209 1211 1212 CONECT 1211 1210 CONECT 1212 1210 1213 CONECT 1213 1212 CONECT 1214 1209 1215 CONECT 1215 1196 1202 1214 CONECT 1216 1217 1218 CONECT 1217 1216 CONECT 1218 1216 1219 CONECT 1219 1202 1218 CONECT 1220 885 900 941 1024 CONECT 1220 1029 1032 1198 1199 CONECT 1221 627 628 666 667 CONECT 1221 908 937 949 1384 CONECT 1222 666 932 949 950 CONECT 1222 1297 1369 1372 CONECT 1297 1222 CONECT 1369 1222 CONECT 1372 1222 CONECT 1384 1221 MASTER 416 0 9 4 17 0 0 6 1266 1 62 13 END If you find results from this site helpful for your research, please cite one of our papers:
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