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*** IMMUNE SYSTEM 09-APR-02 1LDS ***elNémo ID: 2604171037472916018Job options:ID = 2604171037472916018 JOBID = IMMUNE SYSTEM 09-APR-02 1LDS 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 IMMUNE SYSTEM 09-APR-02 1LDS TITLE CRYSTAL STRUCTURE OF MONOMERIC HUMAN BETA-2-MICROGLOBULIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: BETA-2-MICROGLOBULIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: B2M; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21DE3; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PET23A; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PINKWT KEYWDS IMMUNOGLOBULIN CONSTANT DOMAIN, IMMUNE SYSTEM EXPDTA X-RAY DIFFRACTION AUTHOR C.H.TRINH,D.P.SMITH,A.P.KALVERDA,S.E.V.PHILLIPS,S.E.RADFORD REVDAT 6 20-NOV-24 1LDS 1 REMARK REVDAT 5 20-SEP-23 1LDS 1 REMARK REVDAT 4 21-DEC-22 1LDS 1 REMARK SEQADV LINK REVDAT 3 24-FEB-09 1LDS 1 VERSN REVDAT 2 01-APR-03 1LDS 1 JRNL REVDAT 1 31-JUL-02 1LDS 0 JRNL AUTH C.H.TRINH,D.P.SMITH,A.P.KALVERDA,S.E.PHILLIPS,S.E.RADFORD JRNL TITL CRYSTAL STRUCTURE OF MONOMERIC HUMAN BETA-2-MICROGLOBULIN JRNL TITL 2 REVEALS CLUES TO ITS AMYLOIDOGENIC PROPERTIES. JRNL REF PROC.NATL.ACAD.SCI.USA V. 99 9771 2002 JRNL REFN ISSN 0027-8424 JRNL PMID 12119416 JRNL DOI 10.1073/PNAS.152337399 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 26.70 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 96.9 REMARK 3 NUMBER OF REFLECTIONS : 9565 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 SET) : 0.187 REMARK 3 FREE R VALUE : 0.233 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 498 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.87 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2100 REMARK 3 BIN FREE R VALUE : 0.2350 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : 51 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 809 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 1 REMARK 3 SOLVENT ATOMS : 103 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 10.28 REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 2.12500 REMARK 3 B22 (A**2) : -2.09500 REMARK 3 B33 (A**2) : -0.03000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -0.01700 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.18 REMARK 3 ESD FROM SIGMAA (A) : 0.23 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.06 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.11 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.448 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.41 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.615 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : ANISOTROPIC REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 4.827 ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : 5.479 ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : 7.266 ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : 9.501 ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: MAXIMUM LIKELIHOOD TARGET USING REMARK 3 AMPLITUDES AS IMPLEMENTED IN CNS REMARK 4 REMARK 4 1LDS COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-APR-02. REMARK 100 THE DEPOSITION ID IS D_1000015863. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 25-JUN-01 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.7 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SRS REMARK 200 BEAMLINE : PX14.2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.979 REMARK 200 MONOCHROMATOR : SI (111) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA, CCP4 (SCALA) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9604 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 26.700 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.9 REMARK 200 DATA REDUNDANCY : 3.700 REMARK 200 R MERGE (I) : 0.04100 REMARK 200 R SYM (I) : 0.03500 REMARK 200 FOR THE DATA SET : 15.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.90 REMARK 200 COMPLETENESS FOR SHELL (%) : 90.6 REMARK 200 DATA REDUNDANCY IN SHELL : 3.40 REMARK 200 R MERGE FOR SHELL (I) : 0.07300 REMARK 200 R SYM FOR SHELL (I) : 0.06200 REMARK 200 FOR SHELL : 9.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: PDB ENTRY 1DUZ REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 44.20 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.20 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 4-8% (W/V) PEG4000, 20% ISOPROPANOL, REMARK 280 100MM SODIUM CITRATE, PH 5.7, VAPOR DIFFUSION, SITTING DROP, REMARK 280 TEMPERATURE 289K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 38.71250 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 14.54550 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 38.71250 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 14.54550 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC 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 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 ARG A 97 REMARK 465 ASP A 98 REMARK 465 MET A 99 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 ASN A 17 69.07 -150.48 REMARK 500 SER A 57 -85.61 -103.73 REMARK 500 GLU A 74 -5.78 -58.74 REMARK 500 REMARK 500 REMARK: NULL 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 NA A 100 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 84 O REMARK 620 2 LEU A 87 O 86.1 REMARK 620 3 HOH A 123 O 85.0 170.4 REMARK 620 4 HOH A 138 O 94.7 80.7 96.5 REMARK 620 5 HOH A 141 O 170.8 84.7 104.1 83.4 REMARK 620 6 HOH A 203 O 86.4 83.7 99.2 164.3 93.1 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 100 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1DUZ RELATED DB: PDB REMARK 900 HUMAN CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A 0201) IN COMPLEX REMARK 900 WITH A NONAMERIC PEPTIDE FROM HTLV-1 TAX PROTEIN DBREF 1LDS A 1 99 UNP P61769 B2MG_HUMAN 21 119 SEQADV 1LDS MET A 0 UNP P61769 INITIATING METHIONINE SEQRES 1 A 100 MET ILE GLN ARG THR PRO LYS ILE GLN VAL TYR SER ARG SEQRES 2 A 100 HIS PRO ALA GLU ASN GLY LYS SER ASN PHE LEU ASN CYS SEQRES 3 A 100 TYR VAL SER GLY PHE HIS PRO SER ASP ILE GLU VAL ASP SEQRES 4 A 100 LEU LEU LYS ASN GLY GLU ARG ILE GLU LYS VAL GLU HIS SEQRES 5 A 100 SER ASP LEU SER PHE SER LYS ASP TRP SER PHE TYR LEU SEQRES 6 A 100 LEU TYR TYR THR GLU PHE THR PRO THR GLU LYS ASN GLU SEQRES 7 A 100 TYR ALA CYS ARG VAL ASN HIS VAL THR LEU SER GLN PRO SEQRES 8 A 100 LYS ILE VAL LYS TRP ASP ARG ASP MET HET NA A 100 1 HETNAM NA SODIUM ION FORMUL 2 NA NA 1+ FORMUL 3 HOH *103(H2 O) HELIX 1 1 PRO A 14 GLY A 18 1 5 SHEET 1 1 1 LYS A 6 ARG A 12 0 SHEET 2 2 1 PHE A 22 PHE A 30 0 SHEET 3 3 1 GLU A 36 LYS A 41 0 SHEET 4 4 1 GLU A 44 ARG A 45 0 SHEET 5 5 1 HIS A 51 PHE A 56 0 SHEET 6 6 1 PHE A 62 GLU A 69 0 SHEET 7 7 1 TYR A 78 ASN A 83 0 SHEET 8 8 1 LYS A 91 LYS A 94 0 SSBOND 1 CYS A 25 CYS A 80 1555 1555 2.03 LINK O LEU A 87 NA NA A 100 1555 1555 2.25 LINK NA NA A 100 O HOH A 123 1555 1555 2.41 LINK NA NA A 100 O HOH A 141 1555 1555 2.72 LINK NA NA A 100 O HOH A 138 1555 1555 2.39 LINK NA NA A 100 O HOH A 203 1555 1555 2.17 LINK O HIS A 84 NA NA A 100 1555 1555 2.35 CISPEP 1 HIS A 31 PRO A 32 0 0.09 SITE 1 AC1 7 ALA A 15 HIS A 84 LEU A 87 HOH A 123 SITE 2 AC1 7 HOH A 138 HOH A 141 HOH A 203 CRYST1 77.425 29.091 54.644 90.00 121.64 90.00 C 1 2 1 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.012916 0.000000 0.007958 0.00000 SCALE2 0.000000 0.034375 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021495 0.00000 ATOM 1 N MET A 0 14.003 -8.253 -10.050 1.00 5.09 N ATOM 2 CA MET A 0 14.650 -7.671 -8.841 1.00 6.67 C ATOM 3 C MET A 0 15.800 -8.546 -8.377 1.00 12.68 C ATOM 4 O MET A 0 15.891 -9.719 -8.736 1.00 5.87 O ATOM 5 CB MET A 0 13.634 -7.534 -7.696 1.00 11.41 C ATOM 6 CG MET A 0 13.079 -8.852 -7.135 1.00 11.30 C ATOM 7 SD MET A 0 14.188 -9.791 -6.025 1.00 10.13 S ATOM 8 CE MET A 0 13.958 -8.900 -4.484 1.00 14.90 C ATOM 9 N ILE A 1 16.684 -7.962 -7.582 1.00 8.98 N ATOM 10 CA ILE A 1 17.803 -8.707 -7.032 1.00 9.20 C ATOM 11 C ILE A 1 18.180 -8.089 -5.696 1.00 7.90 C ATOM 12 O ILE A 1 18.109 -6.873 -5.519 1.00 6.02 O ATOM 13 CB ILE A 1 19.036 -8.681 -7.971 1.00 6.03 C ATOM 14 CG1 ILE A 1 20.099 -9.653 -7.452 1.00 11.88 C ATOM 15 CG2 ILE A 1 19.613 -7.275 -8.049 1.00 9.54 C ATOM 16 CD1 ILE A 1 21.271 -9.857 -8.397 1.00 18.94 C ATOM 17 N GLN A 2 18.532 -8.932 -4.737 1.00 2.02 N ATOM 18 CA GLN A 2 18.963 -8.432 -3.443 1.00 3.60 C ATOM 19 C GLN A 2 20.179 -9.236 -3.028 1.00 6.70 C ATOM 20 O GLN A 2 20.237 -10.455 -3.217 1.00 4.11 O ATOM 21 CB GLN A 2 17.846 -8.511 -2.395 1.00 5.72 C ATOM 22 CG GLN A 2 17.176 -9.856 -2.228 1.00 5.03 C ATOM 23 CD GLN A 2 15.974 -9.762 -1.307 1.00 13.57 C ATOM 24 OE1 GLN A 2 15.234 -8.775 -1.339 1.00 9.05 O ATOM 25 NE2 GLN A 2 15.764 -10.788 -0.492 1.00 5.72 N ATOM 26 N ARG A 3 21.168 -8.529 -2.498 1.00 4.85 N ATOM 27 CA ARG A 3 22.415 -9.140 -2.074 1.00 4.56 C ATOM 28 C ARG A 3 22.789 -8.617 -0.702 1.00 6.67 C ATOM 29 O ARG A 3 22.768 -7.407 -0.464 1.00 4.84 O ATOM 30 CB ARG A 3 23.525 -8.797 -3.068 1.00 2.94 C ATOM 31 CG ARG A 3 23.373 -9.451 -4.433 1.00 9.10 C ATOM 32 CD ARG A 3 23.927 -10.871 -4.411 1.00 25.83 C ATOM 33 NE ARG A 3 23.755 -11.559 -5.688 1.00 34.70 N ATOM 34 CZ ARG A 3 22.621 -12.126 -6.086 1.00 49.71 C ATOM 35 NH1 ARG A 3 21.551 -12.092 -5.304 1.00 17.27 N ATOM 36 NH2 ARG A 3 22.556 -12.728 -7.267 1.00 46.57 N ATOM 37 N THR A 4 23.119 -9.532 0.200 1.00 2.21 N ATOM 38 CA THR A 4 23.507 -9.154 1.550 1.00 5.05 C ATOM 39 C THR A 4 24.901 -8.527 1.496 1.00 5.01 C ATOM 40 O THR A 4 25.794 -9.018 0.804 1.00 3.01 O ATOM 41 CB THR A 4 23.519 -10.381 2.494 1.00 14.23 C ATOM 42 OG1 THR A 4 23.796 -9.951 3.832 1.00 22.36 O ATOM 43 CG2 THR A 4 24.575 -11.382 2.063 1.00 27.74 C ATOM 44 N PRO A 5 25.107 -7.426 2.225 1.00 1.97 N ATOM 45 CA PRO A 5 26.426 -6.794 2.192 1.00 6.40 C ATOM 46 C PRO A 5 27.532 -7.552 2.917 1.00 8.24 C ATOM 47 O PRO A 5 27.284 -8.236 3.912 1.00 7.61 O ATOM 48 CB PRO A 5 26.164 -5.432 2.834 1.00 8.26 C ATOM 49 CG PRO A 5 25.080 -5.734 3.823 1.00 12.08 C ATOM 50 CD PRO A 5 24.157 -6.629 3.023 1.00 6.41 C ATOM 51 N LYS A 6 28.749 -7.445 2.392 1.00 6.93 N ATOM 52 CA LYS A 6 29.902 -8.041 3.044 1.00 4.70 C ATOM 53 C LYS A 6 30.295 -6.894 3.974 1.00 6.41 C ATOM 54 O LYS A 6 30.212 -5.729 3.580 1.00 7.65 O ATOM 55 CB LYS A 6 31.023 -8.312 2.043 1.00 12.00 C ATOM 56 CG LYS A 6 32.255 -8.944 2.666 1.00 22.05 C ATOM 57 CD LYS A 6 33.317 -9.239 1.620 1.00 32.03 C ATOM 58 CE LYS A 6 34.503 -9.966 2.230 1.00 32.04 C ATOM 59 NZ LYS A 6 35.533 -10.293 1.204 1.00 46.88 N ATOM 60 N ILE A 7 30.706 -7.210 5.196 1.00 4.34 N ATOM 61 CA ILE A 7 31.067 -6.173 6.162 1.00 1.88 C ATOM 62 C ILE A 7 32.452 -6.416 6.753 1.00 5.24 C ATOM 63 O ILE A 7 32.716 -7.476 7.317 1.00 6.69 O ATOM 64 CB ILE A 7 30.034 -6.132 7.310 1.00 4.76 C ATOM 65 CG1 ILE A 7 28.628 -5.930 6.735 1.00 6.32 C ATOM 66 CG2 ILE A 7 30.381 -5.015 8.294 1.00 11.51 C ATOM 67 CD1 ILE A 7 27.509 -6.191 7.732 1.00 4.95 C ATOM 68 N GLN A 8 33.334 -5.431 6.621 1.00 4.37 N ATOM 69 CA GLN A 8 34.688 -5.549 7.149 1.00 5.13 C ATOM 70 C GLN A 8 35.017 -4.327 7.994 1.00 7.32 C ATOM 71 O GLN A 8 34.800 -3.189 7.571 1.00 5.46 O ATOM 72 CB GLN A 8 35.688 -5.684 6.002 1.00 9.94 C ATOM 73 CG GLN A 8 35.350 -6.823 5.048 1.00 8.18 C ATOM 74 CD GLN A 8 36.251 -6.850 3.836 1.00 13.13 C ATOM 75 OE1 GLN A 8 37.250 -7.572 3.803 1.00 15.63 O ATOM 76 NE2 GLN A 8 35.913 -6.050 2.835 1.00 6.85 N ATOM 77 N VAL A 9 35.537 -4.576 9.192 1.00 3.97 N ATOM 78 CA VAL A 9 35.887 -3.508 10.125 1.00 4.60 C ATOM 79 C VAL A 9 37.386 -3.557 10.386 1.00 6.40 C ATOM 80 O VAL A 9 37.929 -4.588 10.779 1.00 7.54 O ATOM 81 CB VAL A 9 35.115 -3.675 11.443 1.00 2.56 C ATOM 82 CG1 VAL A 9 35.305 -2.460 12.327 1.00 5.44 C ATOM 83 CG2 VAL A 9 33.637 -3.889 11.142 1.00 10.30 C ATOM 84 N TYR A 10 38.053 -2.435 10.159 1.00 5.14 N ATOM 85 CA TYR A 10 39.499 -2.369 10.334 1.00 6.13 C ATOM 86 C TYR A 10 39.923 -0.945 10.651 1.00 4.18 C ATOM 87 O TYR A 10 39.119 -0.019 10.580 1.00 4.17 O ATOM 88 CB TYR A 10 40.196 -2.829 9.050 1.00 1.00 C ATOM 89 CG TYR A 10 39.696 -2.114 7.808 1.00 6.60 C ATOM 90 CD1 TYR A 10 38.513 -2.507 7.183 1.00 8.01 C ATOM 91 CD2 TYR A 10 40.392 -1.029 7.275 1.00 6.17 C ATOM 92 CE1 TYR A 10 38.033 -1.838 6.056 1.00 12.92 C ATOM 93 CE2 TYR A 10 39.919 -0.350 6.147 1.00 9.78 C ATOM 94 CZ TYR A 10 38.740 -0.763 5.544 1.00 15.25 C ATOM 95 OH TYR A 10 38.271 -0.109 4.428 1.00 9.94 O ATOM 96 N SER A 11 41.191 -0.775 11.007 1.00 7.39 N ATOM 97 CA SER A 11 41.710 0.548 11.319 1.00 9.46 C ATOM 98 C SER A 11 42.847 0.886 10.356 1.00 9.77 C ATOM 99 O SER A 11 43.539 -0.007 9.861 1.00 6.83 O ATOM 100 CB SER A 11 42.206 0.598 12.769 1.00 7.59 C ATOM 101 OG SER A 11 43.264 -0.317 12.976 1.00 8.88 O ATOM 102 N ARG A 12 43.023 2.176 10.085 1.00 4.95 N ATOM 103 CA ARG A 12 44.072 2.645 9.183 1.00 6.18 C ATOM 104 C ARG A 12 44.652 3.979 9.646 1.00 6.07 C ATOM 105 O ARG A 12 43.930 4.838 10.150 1.00 6.60 O ATOM 106 CB ARG A 12 43.513 2.826 7.767 1.00 5.71 C ATOM 107 CG ARG A 12 43.024 1.551 7.100 1.00 4.47 C ATOM 108 CD ARG A 12 44.174 0.731 6.543 1.00 6.11 C ATOM 109 NE ARG A 12 43.696 -0.424 5.787 1.00 8.26 N ATOM 110 CZ ARG A 12 43.437 -1.620 6.310 1.00 9.54 C ATOM 111 NH1 ARG A 12 43.610 -1.841 7.607 1.00 8.16 N ATOM 112 NH2 ARG A 12 43.002 -2.599 5.528 1.00 11.79 N ATOM 113 N HIS A 13 45.958 4.136 9.454 1.00 4.04 N ATOM 114 CA HIS A 13 46.677 5.359 9.801 1.00 6.70 C ATOM 115 C HIS A 13 47.051 6.033 8.483 1.00 5.07 C ATOM 116 O HIS A 13 47.717 5.425 7.647 1.00 7.55 O ATOM 117 CB HIS A 13 47.987 5.041 10.533 1.00 2.75 C ATOM 118 CG HIS A 13 47.809 4.340 11.842 1.00 6.07 C ATOM 119 ND1 HIS A 13 47.484 5.005 13.005 1.00 12.03 N ATOM 120 CD2 HIS A 13 47.945 3.036 12.180 1.00 10.08 C ATOM 121 CE1 HIS A 13 47.432 4.142 14.003 1.00 11.54 C ATOM 122 NE2 HIS A 13 47.707 2.940 13.529 1.00 7.25 N ATOM 123 N PRO A 14 46.616 7.285 8.266 1.00 5.98 N ATOM 124 CA PRO A 14 46.989 7.932 7.003 1.00 12.71 C ATOM 125 C PRO A 14 48.507 8.111 7.000 1.00 11.60 C ATOM 126 O PRO A 14 49.076 8.608 7.969 1.00 13.01 O ATOM 127 CB PRO A 14 46.230 9.258 7.056 1.00 12.82 C ATOM 128 CG PRO A 14 46.136 9.538 8.523 1.00 12.78 C ATOM 129 CD PRO A 14 45.800 8.182 9.101 1.00 11.54 C ATOM 130 N ALA A 15 49.160 7.695 5.918 1.00 5.64 N ATOM 131 CA ALA A 15 50.612 7.782 5.826 1.00 5.70 C ATOM 132 C ALA A 15 51.166 9.190 6.026 1.00 7.90 C ATOM 133 O ALA A 15 52.269 9.351 6.539 1.00 7.39 O ATOM 134 CB ALA A 15 51.084 7.227 4.487 1.00 12.69 C ATOM 135 N GLU A 16 50.403 10.201 5.620 1.00 12.94 N ATOM 136 CA GLU A 16 50.842 11.589 5.761 1.00 14.01 C ATOM 137 C GLU A 16 50.694 12.107 7.191 1.00 23.94 C ATOM 138 O GLU A 16 51.208 13.174 7.530 1.00 21.36 O ATOM 139 CB GLU A 16 50.053 12.493 4.808 1.00 19.19 C ATOM 140 CG GLU A 16 50.334 12.236 3.334 1.00 30.03 C ATOM 141 CD GLU A 16 49.565 13.172 2.418 1.00 58.54 C ATOM 142 OE1 GLU A 16 49.778 13.111 1.188 1.00 59.53 O ATOM 143 OE2 GLU A 16 48.748 13.968 2.926 1.00 62.60 O ATOM 144 N ASN A 17 49.993 11.347 8.026 1.00 15.27 N ATOM 145 CA ASN A 17 49.772 11.728 9.418 1.00 18.99 C ATOM 146 C ASN A 17 49.632 10.450 10.243 1.00 12.16 C ATOM 147 O ASN A 17 48.553 10.133 10.743 1.00 15.09 O ATOM 148 CB ASN A 17 48.501 12.572 9.524 1.00 19.27 C ATOM 149 CG ASN A 17 48.343 13.228 10.881 1.00 38.87 C ATOM 150 OD1 ASN A 17 47.361 13.927 11.132 1.00 35.08 O ATOM 151 ND2 ASN A 17 49.310 13.009 11.764 1.00 35.04 N ATOM 152 N GLY A 18 50.742 9.730 10.375 1.00 12.96 N ATOM 153 CA GLY A 18 50.767 8.468 11.097 1.00 10.52 C ATOM 154 C GLY A 18 50.160 8.392 12.484 1.00 21.05 C ATOM 155 O GLY A 18 49.694 7.325 12.889 1.00 12.95 O ATOM 156 N LYS A 19 50.167 9.499 13.221 1.00 12.38 N ATOM 157 CA LYS A 19 49.608 9.504 14.571 1.00 19.16 C ATOM 158 C LYS A 19 48.097 9.315 14.553 1.00 20.22 C ATOM 159 O LYS A 19 47.524 8.747 15.483 1.00 22.51 O ATOM 160 CB LYS A 19 49.950 10.812 15.291 1.00 16.70 C ATOM 161 CG LYS A 19 51.433 11.009 15.556 1.00 31.22 C ATOM 162 CD LYS A 19 51.684 12.324 16.282 1.00 59.25 C ATOM 163 CE LYS A 19 53.162 12.530 16.572 1.00 64.99 C ATOM 164 NZ LYS A 19 53.413 13.814 17.285 1.00 63.32 N ATOM 165 N SER A 20 47.454 9.796 13.493 1.00 11.40 N ATOM 166 CA SER A 20 46.008 9.672 13.359 1.00 6.65 C ATOM 167 C SER A 20 45.618 8.230 13.051 1.00 10.43 C ATOM 168 O SER A 20 46.307 7.539 12.302 1.00 11.75 O ATOM 169 CB SER A 20 45.496 10.588 12.245 1.00 15.33 C ATOM 170 OG SER A 20 45.703 11.948 12.577 1.00 36.09 O ATOM 171 N ASN A 21 44.508 7.792 13.634 1.00 8.97 N ATOM 172 CA ASN A 21 44.007 6.435 13.441 1.00 8.00 C ATOM 173 C ASN A 21 42.528 6.542 13.082 1.00 8.67 C ATOM 174 O ASN A 21 41.788 7.306 13.702 1.00 7.57 O ATOM 175 CB ASN A 21 44.178 5.638 14.736 1.00 10.57 C ATOM 176 CG ASN A 21 44.167 4.139 14.511 1.00 13.49 C ATOM 177 OD1 ASN A 21 43.973 3.660 13.391 1.00 8.43 O ATOM 178 ND2 ASN A 21 44.379 3.388 15.585 1.00 9.04 N ATOM 179 N PHE A 22 42.101 5.783 12.078 1.00 6.04 N ATOM 180 CA PHE A 22 40.711 5.815 11.643 1.00 7.04 C ATOM 181 C PHE A 22 40.033 4.455 11.702 1.00 3.00 C ATOM 182 O PHE A 22 40.598 3.445 11.279 1.00 5.44 O ATOM 183 CB PHE A 22 40.612 6.355 10.212 1.00 7.91 C ATOM 184 CG PHE A 22 40.952 7.815 10.088 1.00 8.60 C ATOM 185 CD1 PHE A 22 42.255 8.261 10.290 1.00 16.28 C ATOM 186 CD2 PHE A 22 39.964 8.745 9.779 1.00 10.20 C ATOM 187 CE1 PHE A 22 42.571 9.615 10.185 1.00 19.03 C ATOM 188 CE2 PHE A 22 40.268 10.101 9.673 1.00 12.26 C ATOM 189 CZ PHE A 22 41.575 10.537 9.876 1.00 14.52 C ATOM 190 N LEU A 23 38.817 4.445 12.236 1.00 6.48 N ATOM 191 CA LEU A 23 38.024 3.226 12.335 1.00 4.75 C ATOM 192 C LEU A 23 37.188 3.167 11.063 1.00 1.86 C ATOM 193 O LEU A 23 36.453 4.108 10.754 1.00 4.54 O ATOM 194 CB LEU A 23 37.112 3.280 13.561 1.00 6.12 C ATOM 195 CG LEU A 23 36.174 2.085 13.756 1.00 4.68 C ATOM 196 CD1 LEU A 23 36.981 0.789 13.853 1.00 7.65 C ATOM 197 CD2 LEU A 23 35.346 2.305 15.015 1.00 5.62 C ATOM 198 N ASN A 24 37.298 2.053 10.344 1.00 4.19 N ATOM 199 CA ASN A 24 36.600 1.859 9.076 1.00 6.68 C ATOM 200 C ASN A 24 35.612 0.704 9.050 1.00 3.97 C ATOM 201 O ASN A 24 35.865 -0.359 9.619 1.00 5.77 O ATOM 202 CB ASN A 24 37.612 1.589 7.956 1.00 7.29 C ATOM 203 CG ASN A 24 38.534 2.758 7.692 1.00 8.10 C ATOM 204 OD1 ASN A 24 38.291 3.562 6.796 1.00 11.48 O ATOM 205 ND2 ASN A 24 39.603 2.856 8.472 1.00 9.88 N ATOM 206 N CYS A 25 34.491 0.928 8.374 1.00 4.36 N ATOM 207 CA CYS A 25 33.486 -0.105 8.179 1.00 3.54 C ATOM 208 C CYS A 25 33.217 -0.101 6.684 1.00 7.24 C ATOM 209 O CYS A 25 32.603 0.831 6.160 1.00 7.80 O ATOM 210 CB CYS A 25 32.180 0.196 8.910 1.00 3.68 C ATOM 211 SG CYS A 25 31.013 -1.193 8.719 1.00 9.03 S ATOM 212 N TYR A 26 33.699 -1.129 5.996 1.00 2.86 N ATOM 213 CA TYR A 26 33.500 -1.233 4.562 1.00 3.52 C ATOM 214 C TYR A 26 32.368 -2.210 4.308 1.00 2.81 C ATOM 215 O TYR A 26 32.488 -3.398 4.599 1.00 4.50 O ATOM 216 CB TYR A 26 34.787 -1.713 3.887 1.00 2.87 C ATOM 217 CG TYR A 26 34.710 -1.796 2.384 1.00 6.30 C ATOM 218 CD1 TYR A 26 34.150 -0.762 1.636 1.00 9.14 C ATOM 219 CD2 TYR A 26 35.235 -2.896 1.702 1.00 6.28 C ATOM 220 CE1 TYR A 26 34.115 -0.817 0.242 1.00 10.15 C ATOM 221 CE2 TYR A 26 35.206 -2.960 0.309 1.00 10.27 C ATOM 222 CZ TYR A 26 34.647 -1.918 -0.412 1.00 16.27 C ATOM 223 OH TYR A 26 34.630 -1.970 -1.787 1.00 11.35 O ATOM 224 N VAL A 27 31.263 -1.690 3.778 1.00 2.53 N ATOM 225 CA VAL A 27 30.069 -2.484 3.480 1.00 1.00 C ATOM 226 C VAL A 27 30.013 -2.590 1.960 1.00 6.29 C ATOM 227 O VAL A 27 29.782 -1.598 1.272 1.00 4.64 O ATOM 228 CB VAL A 27 28.824 -1.771 4.032 1.00 3.85 C ATOM 229 CG1 VAL A 27 27.589 -2.643 3.861 1.00 5.98 C ATOM 230 CG2 VAL A 27 29.045 -1.442 5.499 1.00 6.42 C ATOM 231 N SER A 28 30.202 -3.799 1.438 1.00 7.30 N ATOM 232 CA SER A 28 30.285 -3.969 -0.006 1.00 5.33 C ATOM 233 C SER A 28 29.359 -4.938 -0.723 1.00 6.31 C ATOM 234 O SER A 28 28.902 -5.929 -0.154 1.00 5.47 O ATOM 235 CB SER A 28 31.722 -4.352 -0.352 1.00 8.45 C ATOM 236 OG SER A 28 32.078 -5.547 0.335 1.00 7.42 O ATOM 237 N GLY A 29 29.131 -4.630 -1.999 1.00 4.91 N ATOM 238 CA GLY A 29 28.313 -5.448 -2.879 1.00 4.59 C ATOM 239 C GLY A 29 26.865 -5.674 -2.505 1.00 7.77 C ATOM 240 O GLY A 29 26.304 -6.717 -2.833 1.00 11.51 O ATOM 241 N PHE A 30 26.239 -4.705 -1.847 1.00 3.38 N ATOM 242 CA PHE A 30 24.852 -4.887 -1.442 1.00 2.53 C ATOM 243 C PHE A 30 23.818 -4.271 -2.379 1.00 10.78 C ATOM 244 O PHE A 30 24.132 -3.397 -3.186 1.00 5.84 O ATOM 245 CB PHE A 30 24.638 -4.344 -0.023 1.00 5.77 C ATOM 246 CG PHE A 30 24.920 -2.869 0.126 1.00 4.24 C ATOM 247 CD1 PHE A 30 26.220 -2.406 0.330 1.00 2.86 C ATOM 248 CD2 PHE A 30 23.880 -1.947 0.084 1.00 5.94 C ATOM 249 CE1 PHE A 30 26.474 -1.039 0.497 1.00 4.07 C ATOM 250 CE2 PHE A 30 24.122 -0.582 0.249 1.00 1.81 C ATOM 251 CZ PHE A 30 25.419 -0.129 0.456 1.00 2.57 C ATOM 252 N HIS A 31 22.585 -4.760 -2.260 1.00 4.68 N ATOM 253 CA HIS A 31 21.440 -4.282 -3.032 1.00 2.85 C ATOM 254 C HIS A 31 20.183 -4.819 -2.349 1.00 2.70 C ATOM 255 O HIS A 31 20.151 -5.977 -1.922 1.00 3.31 O ATOM 256 CB HIS A 31 21.502 -4.782 -4.483 1.00 4.13 C ATOM 257 CG HIS A 31 20.617 -4.018 -5.419 1.00 5.32 C ATOM 258 ND1 HIS A 31 19.354 -4.444 -5.773 1.00 6.01 N ATOM 259 CD2 HIS A 31 20.793 -2.821 -6.029 1.00 10.04 C ATOM 260 CE1 HIS A 31 18.791 -3.543 -6.560 1.00 16.44 C ATOM 261 NE2 HIS A 31 19.644 -2.548 -6.730 1.00 14.29 N ATOM 262 N PRO A 32 19.132 -3.987 -2.221 1.00 4.15 N ATOM 263 CA PRO A 32 19.046 -2.591 -2.672 1.00 1.07 C ATOM 264 C PRO A 32 19.985 -1.678 -1.893 1.00 4.50 C ATOM 265 O PRO A 32 20.607 -2.104 -0.926 1.00 4.79 O ATOM 266 CB PRO A 32 17.576 -2.248 -2.449 1.00 2.62 C ATOM 267 CG PRO A 32 17.224 -3.078 -1.252 1.00 11.51 C ATOM 268 CD PRO A 32 17.873 -4.405 -1.580 1.00 12.35 C ATOM 269 N SER A 33 20.070 -0.419 -2.316 1.00 5.38 N ATOM 270 CA SER A 33 20.953 0.551 -1.677 1.00 4.80 C ATOM 271 C SER A 33 20.506 1.011 -0.287 1.00 1.28 C ATOM 272 O SER A 33 21.337 1.462 0.502 1.00 5.58 O ATOM 273 CB SER A 33 21.124 1.770 -2.588 1.00 1.00 C ATOM 274 OG SER A 33 19.873 2.398 -2.796 1.00 5.72 O ATOM 275 N ASP A 34 19.209 0.918 0.011 1.00 1.00 N ATOM 276 CA ASP A 34 18.706 1.317 1.330 1.00 1.33 C ATOM 277 C ASP A 34 19.517 0.597 2.400 1.00 4.71 C ATOM 278 O ASP A 34 19.657 -0.623 2.362 1.00 3.90 O ATOM 279 CB ASP A 34 17.237 0.934 1.504 1.00 3.64 C ATOM 280 CG ASP A 34 16.322 1.680 0.564 1.00 10.10 C ATOM 281 OD1 ASP A 34 16.564 1.643 -0.660 1.00 34.23 O ATOM 282 OD2 ASP A 34 15.352 2.290 1.057 1.00 12.60 O ATOM 283 N ILE A 35 20.036 1.340 3.369 1.00 2.93 N ATOM 284 CA ILE A 35 20.833 0.703 4.405 1.00 3.48 C ATOM 285 C ILE A 35 21.054 1.647 5.583 1.00 5.41 C ATOM 286 O ILE A 35 20.914 2.858 5.453 1.00 3.79 O ATOM 287 CB ILE A 35 22.197 0.252 3.812 1.00 1.84 C ATOM 288 CG1 ILE A 35 22.831 -0.827 4.690 1.00 2.27 C ATOM 289 CG2 ILE A 35 23.133 1.452 3.663 1.00 5.07 C ATOM 290 CD1 ILE A 35 24.018 -1.518 4.029 1.00 5.70 C ATOM 291 N GLU A 36 21.363 1.073 6.739 1.00 4.67 N ATOM 292 CA GLU A 36 21.638 1.846 7.942 1.00 8.88 C ATOM 293 C GLU A 36 22.937 1.275 8.489 1.00 8.06 C ATOM 294 O GLU A 36 23.059 0.065 8.677 1.00 5.17 O ATOM 295 CB GLU A 36 20.507 1.689 8.962 1.00 2.69 C ATOM 296 CG GLU A 36 20.787 2.356 10.301 1.00 8.02 C ATOM 297 CD GLU A 36 19.594 2.310 11.233 1.00 17.36 C ATOM 298 OE1 GLU A 36 18.883 1.284 11.238 1.00 15.29 O ATOM 299 OE2 GLU A 36 19.372 3.294 11.966 1.00 14.36 O ATOM 300 N VAL A 37 23.914 2.143 8.728 1.00 3.70 N ATOM 301 CA VAL A 37 25.210 1.697 9.218 1.00 3.23 C ATOM 302 C VAL A 37 25.706 2.586 10.338 1.00 7.35 C ATOM 303 O VAL A 37 25.658 3.808 10.235 1.00 5.44 O ATOM 304 CB VAL A 37 26.262 1.712 8.090 1.00 1.00 C ATOM 305 CG1 VAL A 37 27.616 1.251 8.628 1.00 5.71 C ATOM 306 CG2 VAL A 37 25.803 0.819 6.943 1.00 4.93 C ATOM 307 N ASP A 38 26.191 1.962 11.404 1.00 4.65 N ATOM 308 CA ASP A 38 26.711 2.699 12.548 1.00 7.24 C ATOM 309 C ASP A 38 27.997 2.088 13.059 1.00 9.24 C ATOM 310 O ASP A 38 28.201 0.878 12.974 1.00 7.97 O ATOM 311 CB ASP A 38 25.707 2.695 13.704 1.00 6.08 C ATOM 312 CG ASP A 38 24.557 3.651 13.485 1.00 11.53 C ATOM 313 OD1 ASP A 38 24.806 4.872 13.410 1.00 12.77 O ATOM 314 OD2 ASP A 38 23.407 3.178 13.394 1.00 12.49 O ATOM 315 N LEU A 39 28.876 2.941 13.569 1.00 3.87 N ATOM 316 CA LEU A 39 30.106 2.470 14.179 1.00 3.85 C ATOM 317 C LEU A 39 29.710 2.491 15.649 1.00 11.34 C ATOM 318 O LEU A 39 28.949 3.363 16.067 1.00 7.55 O ATOM 319 CB LEU A 39 31.260 3.442 13.928 1.00 2.31 C ATOM 320 CG LEU A 39 31.770 3.519 12.487 1.00 9.10 C ATOM 321 CD1 LEU A 39 32.958 4.456 12.413 1.00 7.16 C ATOM 322 CD2 LEU A 39 32.174 2.130 12.023 1.00 6.21 C ATOM 323 N LEU A 40 30.201 1.528 16.421 1.00 6.03 N ATOM 324 CA LEU A 40 29.875 1.450 17.837 1.00 11.60 C ATOM 325 C LEU A 40 31.122 1.465 18.699 1.00 10.58 C ATOM 326 O LEU A 40 32.181 0.990 18.291 1.00 8.71 O ATOM 327 CB LEU A 40 29.109 0.158 18.145 1.00 7.69 C ATOM 328 CG LEU A 40 27.867 -0.211 17.330 1.00 6.51 C ATOM 329 CD1 LEU A 40 27.324 -1.540 17.829 1.00 14.34 C ATOM 330 CD2 LEU A 40 26.812 0.869 17.448 1.00 8.69 C ATOM 331 N LYS A 41 30.981 2.028 19.893 1.00 9.68 N ATOM 332 CA LYS A 41 32.059 2.065 20.869 1.00 11.38 C ATOM 333 C LYS A 41 31.414 1.542 22.142 1.00 8.80 C ATOM 334 O LYS A 41 30.535 2.192 22.712 1.00 11.20 O ATOM 335 CB LYS A 41 32.569 3.484 21.103 1.00 12.19 C ATOM 336 CG LYS A 41 33.722 3.522 22.103 1.00 14.14 C ATOM 337 CD LYS A 41 34.180 4.932 22.406 1.00 12.18 C ATOM 338 CE LYS A 41 35.291 4.914 23.444 1.00 29.29 C ATOM 339 NZ LYS A 41 35.703 6.283 23.853 1.00 25.27 N ATOM 340 N ASN A 42 31.837 0.359 22.567 1.00 11.90 N ATOM 341 CA ASN A 42 31.284 -0.268 23.759 1.00 18.03 C ATOM 342 C ASN A 42 29.760 -0.353 23.672 1.00 27.79 C ATOM 343 O ASN A 42 29.051 -0.056 24.636 1.00 27.23 O ATOM 344 CB ASN A 42 31.706 0.506 25.012 1.00 25.83 C ATOM 345 CG ASN A 42 33.214 0.577 25.168 1.00 18.31 C ATOM 346 OD1 ASN A 42 33.908 -0.431 25.044 1.00 18.76 O ATOM 347 ND2 ASN A 42 33.729 1.772 25.443 1.00 21.84 N ATOM 348 N GLY A 43 29.267 -0.751 22.501 1.00 25.21 N ATOM 349 CA GLY A 43 27.835 -0.895 22.295 1.00 23.86 C ATOM 350 C GLY A 43 27.056 0.380 22.036 1.00 20.96 C ATOM 351 O GLY A 43 25.876 0.325 21.688 1.00 25.63 O ATOM 352 N GLU A 44 27.706 1.526 22.206 1.00 13.88 N ATOM 353 CA GLU A 44 27.065 2.818 21.995 1.00 14.99 C ATOM 354 C GLU A 44 27.344 3.345 20.593 1.00 15.66 C ATOM 355 O GLU A 44 28.468 3.279 20.106 1.00 13.49 O ATOM 356 CB GLU A 44 27.574 3.834 23.023 1.00 24.96 C ATOM 357 CG GLU A 44 27.198 3.534 24.470 1.00 30.10 C ATOM 358 CD GLU A 44 25.755 3.880 24.789 1.00 46.26 C ATOM 359 OE1 GLU A 44 25.335 5.016 24.488 1.00 47.27 O ATOM 360 OE2 GLU A 44 25.042 3.023 25.352 1.00 33.08 O ATOM 361 N ARG A 45 26.312 3.879 19.953 1.00 12.45 N ATOM 362 CA ARG A 45 26.445 4.425 18.609 1.00 16.00 C ATOM 363 C ARG A 45 27.329 5.672 18.599 1.00 15.48 C ATOM 364 O ARG A 45 27.163 6.564 19.430 1.00 19.39 O ATOM 365 CB ARG A 45 25.056 4.766 18.061 1.00 12.17 C ATOM 366 CG ARG A 45 25.048 5.548 16.764 1.00 27.57 C ATOM 367 CD ARG A 45 23.619 5.746 16.274 1.00 29.67 C ATOM 368 NE ARG A 45 23.552 6.552 15.059 1.00 41.22 N ATOM 369 CZ ARG A 45 23.793 7.858 15.011 1.00 47.93 C ATOM 370 NH1 ARG A 45 24.117 8.516 16.115 1.00 48.83 N ATOM 371 NH2 ARG A 45 23.707 8.507 13.857 1.00 40.81 N ATOM 372 N ILE A 46 28.281 5.719 17.671 1.00 7.94 N ATOM 373 CA ILE A 46 29.160 6.877 17.541 1.00 8.09 C ATOM 374 C ILE A 46 28.415 7.879 16.659 1.00 14.48 C ATOM 375 O ILE A 46 28.218 7.651 15.468 1.00 10.05 O ATOM 376 CB ILE A 46 30.513 6.484 16.895 1.00 6.08 C ATOM 377 CG1 ILE A 46 31.253 5.508 17.813 1.00 10.15 C ATOM 378 CG2 ILE A 46 31.359 7.724 16.639 1.00 10.90 C ATOM 379 CD1 ILE A 46 32.554 4.971 17.241 1.00 13.79 C ATOM 380 N GLU A 47 27.990 8.985 17.262 1.00 17.83 N ATOM 381 CA GLU A 47 27.231 10.014 16.560 1.00 23.98 C ATOM 382 C GLU A 47 28.038 10.752 15.499 1.00 24.25 C ATOM 383 O GLU A 47 27.525 11.077 14.429 1.00 25.34 O ATOM 384 CB GLU A 47 26.679 11.024 17.569 1.00 33.47 C ATOM 385 CG GLU A 47 25.743 12.060 16.974 1.00 53.45 C ATOM 386 CD GLU A 47 24.440 11.456 16.490 1.00 66.19 C ATOM 387 OE1 GLU A 47 23.694 10.902 17.326 1.00 59.58 O ATOM 388 OE2 GLU A 47 24.161 11.535 15.275 1.00 65.83 O ATOM 389 N LYS A 48 29.303 11.010 15.803 1.00 13.47 N ATOM 390 CA LYS A 48 30.178 11.729 14.893 1.00 24.38 C ATOM 391 C LYS A 48 31.016 10.823 13.994 1.00 21.74 C ATOM 392 O LYS A 48 32.017 10.262 14.431 1.00 14.47 O ATOM 393 CB LYS A 48 31.106 12.640 15.702 1.00 26.34 C ATOM 394 CG LYS A 48 32.110 13.427 14.882 1.00 29.56 C ATOM 395 CD LYS A 48 33.051 14.200 15.794 1.00 33.29 C ATOM 396 CE LYS A 48 34.007 15.068 14.997 1.00 50.95 C ATOM 397 NZ LYS A 48 33.279 16.107 14.218 1.00 61.91 N ATOM 398 N VAL A 49 30.590 10.667 12.744 1.00 17.01 N ATOM 399 CA VAL A 49 31.338 9.870 11.776 1.00 10.20 C ATOM 400 C VAL A 49 31.580 10.791 10.585 1.00 15.47 C ATOM 401 O VAL A 49 30.678 11.060 9.791 1.00 15.53 O ATOM 402 CB VAL A 49 30.568 8.613 11.329 1.00 7.87 C ATOM 403 CG1 VAL A 49 31.385 7.855 10.287 1.00 7.12 C ATOM 404 CG2 VAL A 49 30.304 7.713 12.535 1.00 9.70 C ATOM 405 N GLU A 50 32.815 11.272 10.489 1.00 7.12 N ATOM 406 CA GLU A 50 33.240 12.217 9.463 1.00 13.36 C ATOM 407 C GLU A 50 33.110 11.825 7.996 1.00 19.43 C ATOM 408 O GLU A 50 32.853 12.682 7.149 1.00 16.94 O ATOM 409 CB GLU A 50 34.693 12.625 9.727 1.00 19.22 C ATOM 410 CG GLU A 50 34.909 13.405 11.013 1.00 44.63 C ATOM 411 CD GLU A 50 34.252 14.773 10.986 1.00 54.17 C ATOM 412 OE1 GLU A 50 34.423 15.532 11.962 1.00 65.17 O ATOM 413 OE2 GLU A 50 33.566 15.092 9.992 1.00 63.53 O ATOM 414 N HIS A 51 33.282 10.546 7.685 1.00 10.35 N ATOM 415 CA HIS A 51 33.224 10.119 6.291 1.00 6.92 C ATOM 416 C HIS A 51 32.238 8.997 5.987 1.00 3.60 C ATOM 417 O HIS A 51 32.171 7.998 6.698 1.00 6.88 O ATOM 418 CB HIS A 51 34.624 9.701 5.845 1.00 14.30 C ATOM 419 CG HIS A 51 35.658 10.766 6.035 1.00 21.79 C ATOM 420 ND1 HIS A 51 35.761 11.860 5.203 1.00 25.21 N ATOM 421 CD2 HIS A 51 36.616 10.920 6.979 1.00 31.85 C ATOM 422 CE1 HIS A 51 36.739 12.642 5.626 1.00 31.43 C ATOM 423 NE2 HIS A 51 37.273 12.095 6.703 1.00 29.86 N ATOM 424 N SER A 52 31.472 9.183 4.916 1.00 9.01 N ATOM 425 CA SER A 52 30.493 8.199 4.466 1.00 5.16 C ATOM 426 C SER A 52 30.500 8.296 2.942 1.00 15.14 C ATOM 427 O SER A 52 29.829 9.148 2.366 1.00 16.36 O ATOM 428 CB SER A 52 29.102 8.536 5.010 1.00 11.20 C ATOM 429 OG SER A 52 28.177 7.497 4.737 1.00 9.94 O ATOM 430 N ASP A 53 31.273 7.427 2.299 1.00 7.19 N ATOM 431 CA ASP A 53 31.393 7.439 0.843 1.00 9.62 C ATOM 432 C ASP A 53 30.648 6.285 0.184 1.00 8.88 C ATOM 433 O ASP A 53 30.994 5.120 0.385 1.00 8.55 O ATOM 434 CB ASP A 53 32.872 7.383 0.433 1.00 13.75 C ATOM 435 CG ASP A 53 33.722 8.427 1.143 1.00 23.24 C ATOM 436 OD1 ASP A 53 33.209 9.528 1.421 1.00 12.00 O ATOM 437 OD2 ASP A 53 34.910 8.151 1.410 1.00 21.97 O ATOM 438 N LEU A 54 29.638 6.620 -0.616 1.00 7.75 N ATOM 439 CA LEU A 54 28.838 5.619 -1.315 1.00 6.54 C ATOM 440 C LEU A 54 29.145 5.627 -2.809 1.00 10.68 C ATOM 441 O LEU A 54 29.351 6.683 -3.408 1.00 7.83 O ATOM 442 CB LEU A 54 27.347 5.894 -1.113 1.00 3.57 C ATOM 443 CG LEU A 54 26.373 4.906 -1.764 1.00 7.10 C ATOM 444 CD1 LEU A 54 26.383 3.595 -0.983 1.00 7.58 C ATOM 445 CD2 LEU A 54 24.974 5.497 -1.779 1.00 7.25 C ATOM 446 N SER A 55 29.171 4.438 -3.399 1.00 3.83 N ATOM 447 CA SER A 55 29.434 4.280 -4.821 1.00 3.58 C ATOM 448 C SER A 55 28.761 2.999 -5.288 1.00 1.00 C ATOM 449 O SER A 55 28.215 2.249 -4.482 1.00 1.00 O ATOM 450 CB SER A 55 30.943 4.190 -5.082 1.00 3.07 C ATOM 451 OG SER A 55 31.518 3.046 -4.467 1.00 7.96 O ATOM 452 N PHE A 56 28.780 2.772 -6.594 1.00 4.73 N ATOM 453 CA PHE A 56 28.215 1.561 -7.167 1.00 6.04 C ATOM 454 C PHE A 56 29.061 1.178 -8.374 1.00 4.14 C ATOM 455 O PHE A 56 29.697 2.034 -8.986 1.00 9.73 O ATOM 456 CB PHE A 56 26.736 1.771 -7.555 1.00 2.12 C ATOM 457 CG PHE A 56 26.507 2.815 -8.623 1.00 7.24 C ATOM 458 CD1 PHE A 56 26.610 2.490 -9.973 1.00 8.10 C ATOM 459 CD2 PHE A 56 26.157 4.117 -8.273 1.00 6.14 C ATOM 460 CE1 PHE A 56 26.364 3.451 -10.964 1.00 5.87 C ATOM 461 CE2 PHE A 56 25.910 5.085 -9.254 1.00 7.31 C ATOM 462 CZ PHE A 56 26.014 4.749 -10.598 1.00 8.06 C ATOM 463 N SER A 57 29.110 -0.113 -8.685 1.00 4.22 N ATOM 464 CA SER A 57 29.869 -0.587 -9.840 1.00 6.27 C ATOM 465 C SER A 57 28.783 -0.872 -10.866 1.00 11.84 C ATOM 466 O SER A 57 28.460 -0.018 -11.692 1.00 13.56 O ATOM 467 CB SER A 57 30.648 -1.859 -9.487 1.00 6.55 C ATOM 468 OG SER A 57 29.799 -2.846 -8.934 1.00 6.78 O ATOM 469 N LYS A 58 28.211 -2.068 -10.806 1.00 10.45 N ATOM 470 CA LYS A 58 27.104 -2.404 -11.689 1.00 17.82 C ATOM 471 C LYS A 58 25.965 -1.595 -11.071 1.00 26.11 C ATOM 472 O LYS A 58 26.059 -1.192 -9.910 1.00 10.15 O ATOM 473 CB LYS A 58 26.780 -3.898 -11.607 1.00 10.51 C ATOM 474 CG LYS A 58 27.851 -4.815 -12.171 1.00 21.44 C ATOM 475 CD LYS A 58 27.917 -4.712 -13.685 1.00 38.83 C ATOM 476 CE LYS A 58 28.885 -5.728 -14.269 1.00 46.78 C ATOM 477 NZ LYS A 58 28.902 -5.675 -15.758 1.00 39.56 N ATOM 478 N ASP A 59 24.899 -1.348 -11.826 1.00 11.95 N ATOM 479 CA ASP A 59 23.779 -0.578 -11.289 1.00 14.03 C ATOM 480 C ASP A 59 23.150 -1.226 -10.059 1.00 18.01 C ATOM 481 O ASP A 59 22.461 -0.562 -9.288 1.00 12.60 O ATOM 482 CB ASP A 59 22.702 -0.376 -12.358 1.00 16.40 C ATOM 483 CG ASP A 59 23.101 0.647 -13.403 1.00 21.20 C ATOM 484 OD1 ASP A 59 24.138 1.317 -13.220 1.00 18.03 O ATOM 485 OD2 ASP A 59 22.369 0.789 -14.404 1.00 20.81 O ATOM 486 N TRP A 60 23.397 -2.519 -9.872 1.00 9.82 N ATOM 487 CA TRP A 60 22.828 -3.247 -8.741 1.00 10.51 C ATOM 488 C TRP A 60 23.852 -3.686 -7.697 1.00 19.63 C ATOM 489 O TRP A 60 23.638 -4.672 -6.993 1.00 11.53 O ATOM 490 CB TRP A 60 22.069 -4.474 -9.251 1.00 11.13 C ATOM 491 CG TRP A 60 22.913 -5.342 -10.124 1.00 20.39 C ATOM 492 CD1 TRP A 60 23.816 -6.285 -9.718 1.00 20.27 C ATOM 493 CD2 TRP A 60 22.982 -5.309 -11.555 1.00 17.37 C ATOM 494 NE1 TRP A 60 24.443 -6.840 -10.809 1.00 23.83 N ATOM 495 CE2 TRP A 60 23.950 -6.259 -11.948 1.00 20.24 C ATOM 496 CE3 TRP A 60 22.319 -4.568 -12.543 1.00 35.60 C ATOM 497 CZ2 TRP A 60 24.274 -6.489 -13.292 1.00 34.58 C ATOM 498 CZ3 TRP A 60 22.642 -4.796 -13.881 1.00 24.62 C ATOM 499 CH2 TRP A 60 23.611 -5.750 -14.240 1.00 25.63 C ATOM 500 N SER A 61 24.962 -2.964 -7.595 1.00 8.13 N ATOM 501 CA SER A 61 25.981 -3.311 -6.608 1.00 4.93 C ATOM 502 C SER A 61 26.527 -2.046 -5.958 1.00 7.18 C ATOM 503 O SER A 61 27.233 -1.264 -6.599 1.00 5.07 O ATOM 504 CB SER A 61 27.113 -4.098 -7.268 1.00 11.51 C ATOM 505 OG SER A 61 28.052 -4.538 -6.301 1.00 12.98 O ATOM 506 N PHE A 62 26.191 -1.850 -4.686 1.00 2.19 N ATOM 507 CA PHE A 62 26.625 -0.666 -3.949 1.00 1.00 C ATOM 508 C PHE A 62 27.747 -0.940 -2.961 1.00 11.73 C ATOM 509 O PHE A 62 27.904 -2.060 -2.466 1.00 2.80 O ATOM 510 CB PHE A 62 25.432 -0.040 -3.216 1.00 1.57 C ATOM 511 CG PHE A 62 24.509 0.733 -4.116 1.00 4.35 C ATOM 512 CD1 PHE A 62 24.560 2.126 -4.161 1.00 5.49 C ATOM 513 CD2 PHE A 62 23.601 0.068 -4.937 1.00 4.91 C ATOM 514 CE1 PHE A 62 23.716 2.847 -5.014 1.00 4.99 C ATOM 515 CE2 PHE A 62 22.752 0.779 -5.795 1.00 9.82 C ATOM 516 CZ PHE A 62 22.811 2.171 -5.832 1.00 4.73 C ATOM 517 N TYR A 63 28.520 0.105 -2.682 1.00 3.81 N ATOM 518 CA TYR A 63 29.650 0.026 -1.768 1.00 3.62 C ATOM 519 C TYR A 63 29.659 1.254 -0.878 1.00 5.07 C ATOM 520 O TYR A 63 29.472 2.372 -1.356 1.00 5.16 O ATOM 521 CB TYR A 63 30.961 -0.026 -2.553 1.00 3.19 C ATOM 522 CG TYR A 63 31.004 -1.157 -3.544 1.00 3.40 C ATOM 523 CD1 TYR A 63 30.393 -1.038 -4.792 1.00 5.70 C ATOM 524 CD2 TYR A 63 31.581 -2.381 -3.205 1.00 4.94 C ATOM 525 CE1 TYR A 63 30.348 -2.109 -5.674 1.00 10.08 C ATOM 526 CE2 TYR A 63 31.541 -3.460 -4.082 1.00 8.07 C ATOM 527 CZ TYR A 63 30.922 -3.316 -5.312 1.00 11.23 C ATOM 528 OH TYR A 63 30.863 -4.385 -6.175 1.00 12.27 O ATOM 529 N LEU A 64 29.884 1.040 0.413 1.00 2.65 N ATOM 530 CA LEU A 64 29.923 2.139 1.363 1.00 5.08 C ATOM 531 C LEU A 64 31.127 2.041 2.278 1.00 4.51 C ATOM 532 O LEU A 64 31.350 1.007 2.909 1.00 5.21 O ATOM 533 CB LEU A 64 28.660 2.149 2.230 1.00 4.51 C ATOM 534 CG LEU A 64 28.626 3.243 3.308 1.00 11.02 C ATOM 535 CD1 LEU A 64 28.412 4.594 2.645 1.00 9.26 C ATOM 536 CD2 LEU A 64 27.511 2.963 4.307 1.00 13.20 C ATOM 537 N LEU A 65 31.913 3.113 2.332 1.00 3.06 N ATOM 538 CA LEU A 65 33.057 3.170 3.228 1.00 3.25 C ATOM 539 C LEU A 65 32.642 4.203 4.269 1.00 4.06 C ATOM 540 O LEU A 65 32.461 5.384 3.955 1.00 7.34 O ATOM 541 CB LEU A 65 34.326 3.629 2.508 1.00 8.39 C ATOM 542 CG LEU A 65 35.561 3.626 3.420 1.00 5.46 C ATOM 543 CD1 LEU A 65 35.807 2.214 3.939 1.00 6.67 C ATOM 544 CD2 LEU A 65 36.778 4.133 2.657 1.00 8.20 C ATOM 545 N TYR A 66 32.489 3.742 5.503 1.00 3.55 N ATOM 546 CA TYR A 66 32.044 4.578 6.615 1.00 3.71 C ATOM 547 C TYR A 66 33.165 4.597 7.643 1.00 2.41 C ATOM 548 O TYR A 66 33.427 3.588 8.296 1.00 5.85 O ATOM 549 CB TYR A 66 30.781 3.938 7.200 1.00 4.04 C ATOM 550 CG TYR A 66 29.983 4.753 8.190 1.00 3.95 C ATOM 551 CD1 TYR A 66 29.311 5.914 7.802 1.00 5.30 C ATOM 552 CD2 TYR A 66 29.833 4.314 9.507 1.00 7.69 C ATOM 553 CE1 TYR A 66 28.497 6.613 8.705 1.00 6.56 C ATOM 554 CE2 TYR A 66 29.029 5.001 10.414 1.00 4.88 C ATOM 555 CZ TYR A 66 28.363 6.146 10.010 1.00 6.19 C ATOM 556 OH TYR A 66 27.563 6.812 10.914 1.00 7.58 O ATOM 557 N TYR A 67 33.831 5.738 7.788 1.00 6.72 N ATOM 558 CA TYR A 67 34.936 5.823 8.734 1.00 6.34 C ATOM 559 C TYR A 67 35.095 7.183 9.396 1.00 4.91 C ATOM 560 O TYR A 67 34.552 8.188 8.933 1.00 5.53 O ATOM 561 CB TYR A 67 36.253 5.441 8.049 1.00 4.20 C ATOM 562 CG TYR A 67 36.729 6.411 6.985 1.00 12.76 C ATOM 563 CD1 TYR A 67 36.098 6.486 5.745 1.00 15.27 C ATOM 564 CD2 TYR A 67 37.829 7.236 7.215 1.00 19.75 C ATOM 565 CE1 TYR A 67 36.554 7.356 4.755 1.00 22.04 C ATOM 566 CE2 TYR A 67 38.294 8.109 6.235 1.00 23.93 C ATOM 567 CZ TYR A 67 37.652 8.163 5.007 1.00 26.37 C ATOM 568 OH TYR A 67 38.111 9.019 4.034 1.00 37.65 O ATOM 569 N THR A 68 35.857 7.202 10.483 1.00 9.12 N ATOM 570 CA THR A 68 36.097 8.436 11.217 1.00 8.04 C ATOM 571 C THR A 68 37.293 8.231 12.141 1.00 8.22 C ATOM 572 O THR A 68 37.622 7.101 12.503 1.00 7.00 O ATOM 573 CB THR A 68 34.849 8.830 12.046 1.00 8.78 C ATOM 574 OG1 THR A 68 34.943 10.206 12.435 1.00 11.70 O ATOM 575 CG2 THR A 68 34.735 7.963 13.293 1.00 12.99 C ATOM 576 N GLU A 69 37.954 9.319 12.513 1.00 9.37 N ATOM 577 CA GLU A 69 39.107 9.212 13.398 1.00 5.46 C ATOM 578 C GLU A 69 38.702 8.777 14.803 1.00 7.38 C ATOM 579 O GLU A 69 37.624 9.126 15.289 1.00 9.98 O ATOM 580 CB GLU A 69 39.849 10.550 13.458 1.00 15.44 C ATOM 581 CG GLU A 69 41.022 10.556 14.420 1.00 13.15 C ATOM 582 CD GLU A 69 41.934 11.750 14.218 1.00 33.77 C ATOM 583 OE1 GLU A 69 41.417 12.867 14.015 1.00 24.19 O ATOM 584 OE2 GLU A 69 43.168 11.571 14.270 1.00 31.67 O ATOM 585 N PHE A 70 39.564 7.997 15.447 1.00 11.87 N ATOM 586 CA PHE A 70 39.300 7.533 16.802 1.00 11.80 C ATOM 587 C PHE A 70 40.604 7.244 17.539 1.00 11.59 C ATOM 588 O PHE A 70 41.674 7.211 16.933 1.00 10.86 O ATOM 589 CB PHE A 70 38.384 6.291 16.776 1.00 14.57 C ATOM 590 CG PHE A 70 39.082 4.990 16.438 1.00 5.27 C ATOM 591 CD1 PHE A 70 40.043 4.921 15.431 1.00 5.75 C ATOM 592 CD2 PHE A 70 38.730 3.817 17.103 1.00 6.50 C ATOM 593 CE1 PHE A 70 40.641 3.696 15.093 1.00 4.61 C ATOM 594 CE2 PHE A 70 39.319 2.590 16.773 1.00 7.89 C ATOM 595 CZ PHE A 70 40.276 2.530 15.767 1.00 7.33 C ATOM 596 N THR A 71 40.513 7.068 18.852 1.00 13.45 N ATOM 597 CA THR A 71 41.687 6.777 19.669 1.00 11.87 C ATOM 598 C THR A 71 41.351 5.581 20.549 1.00 13.46 C ATOM 599 O THR A 71 40.923 5.739 21.692 1.00 17.90 O ATOM 600 CB THR A 71 42.056 7.977 20.563 1.00 18.64 C ATOM 601 OG1 THR A 71 42.242 9.141 19.748 1.00 21.59 O ATOM 602 CG2 THR A 71 43.342 7.693 21.327 1.00 25.38 C ATOM 603 N PRO A 72 41.544 4.363 20.023 1.00 12.19 N ATOM 604 CA PRO A 72 41.255 3.130 20.755 1.00 12.94 C ATOM 605 C PRO A 72 42.208 2.816 21.902 1.00 20.09 C ATOM 606 O PRO A 72 43.391 3.158 21.861 1.00 19.67 O ATOM 607 CB PRO A 72 41.314 2.069 19.662 1.00 12.20 C ATOM 608 CG PRO A 72 42.415 2.578 18.790 1.00 13.35 C ATOM 609 CD PRO A 72 42.084 4.060 18.683 1.00 18.66 C ATOM 610 N THR A 73 41.666 2.170 22.927 1.00 21.27 N ATOM 611 CA THR A 73 42.434 1.750 24.093 1.00 27.62 C ATOM 612 C THR A 73 42.148 0.262 24.241 1.00 38.26 C ATOM 613 O THR A 73 41.091 -0.210 23.823 1.00 28.33 O ATOM 614 CB THR A 73 41.983 2.473 25.379 1.00 20.73 C ATOM 615 OG1 THR A 73 40.606 2.175 25.639 1.00 31.75 O ATOM 616 CG2 THR A 73 42.160 3.974 25.238 1.00 26.86 C ATOM 617 N GLU A 74 43.082 -0.473 24.831 1.00 34.10 N ATOM 618 CA GLU A 74 42.922 -1.912 25.011 1.00 45.54 C ATOM 619 C GLU A 74 41.686 -2.298 25.823 1.00 45.08 C ATOM 620 O GLU A 74 41.373 -3.482 25.952 1.00 57.55 O ATOM 621 CB GLU A 74 44.171 -2.500 25.677 1.00 43.01 C ATOM 622 CG GLU A 74 44.426 -2.007 27.098 1.00 49.19 C ATOM 623 CD GLU A 74 44.703 -0.516 27.167 1.00 49.95 C ATOM 624 OE1 GLU A 74 45.670 -0.059 26.520 1.00 63.53 O ATOM 625 OE2 GLU A 74 43.955 0.198 27.869 1.00 60.78 O ATOM 626 N LYS A 75 40.982 -1.307 26.362 1.00 30.90 N ATOM 627 CA LYS A 75 39.795 -1.574 27.172 1.00 30.29 C ATOM 628 C LYS A 75 38.474 -1.352 26.435 1.00 50.19 C ATOM 629 O LYS A 75 37.436 -1.870 26.850 1.00 39.37 O ATOM 630 CB LYS A 75 39.814 -0.708 28.435 1.00 47.27 C ATOM 631 CG LYS A 75 39.728 0.787 28.165 1.00 47.62 C ATOM 632 CD LYS A 75 39.702 1.585 29.459 1.00 51.59 C ATOM 633 CE LYS A 75 39.617 3.079 29.186 1.00 41.70 C ATOM 634 NZ LYS A 75 39.588 3.874 30.446 1.00 54.12 N ATOM 635 CB ASN A 76 37.321 1.096 24.008 1.00 38.03 C ATOM 636 CG ASN A 76 37.313 2.153 25.103 1.00 38.03 C ATOM 637 OD1 ASN A 76 36.590 2.023 26.089 1.00 38.03 O ATOM 638 ND2 ASN A 76 38.119 3.202 24.927 1.00 38.03 N ATOM 639 N GLU A 77 35.809 -1.554 23.147 1.00 22.34 N ATOM 640 CA GLU A 77 35.452 -2.480 22.080 1.00 17.52 C ATOM 641 C GLU A 77 34.765 -1.695 20.969 1.00 13.60 C ATOM 642 O GLU A 77 33.863 -0.901 21.230 1.00 18.56 O ATOM 643 CB GLU A 77 34.505 -3.562 22.608 1.00 24.73 C ATOM 644 CG GLU A 77 33.188 -3.025 23.146 1.00 41.37 C ATOM 645 CD GLU A 77 32.224 -4.124 23.551 1.00 67.90 C ATOM 646 OE1 GLU A 77 31.860 -4.948 22.684 1.00 63.37 O ATOM 647 OE2 GLU A 77 31.828 -4.163 24.736 1.00 59.31 O ATOM 648 N TYR A 78 35.202 -1.911 19.734 1.00 13.98 N ATOM 649 CA TYR A 78 34.611 -1.212 18.601 1.00 14.03 C ATOM 650 C TYR A 78 33.980 -2.187 17.626 1.00 15.79 C ATOM 651 O TYR A 78 34.438 -3.320 17.481 1.00 11.27 O ATOM 652 CB TYR A 78 35.665 -0.366 17.888 1.00 10.14 C ATOM 653 CG TYR A 78 36.156 0.787 18.729 1.00 12.31 C ATOM 654 CD1 TYR A 78 37.192 0.618 19.647 1.00 15.50 C ATOM 655 CD2 TYR A 78 35.561 2.043 18.628 1.00 9.82 C ATOM 656 CE1 TYR A 78 37.625 1.677 20.443 1.00 12.39 C ATOM 657 CE2 TYR A 78 35.985 3.106 19.419 1.00 13.95 C ATOM 658 CZ TYR A 78 37.017 2.916 20.323 1.00 16.61 C ATOM 659 OH TYR A 78 37.437 3.968 21.102 1.00 19.97 O ATOM 660 N ALA A 79 32.924 -1.742 16.956 1.00 10.38 N ATOM 661 CA ALA A 79 32.236 -2.595 16.005 1.00 5.71 C ATOM 662 C ALA A 79 31.440 -1.783 15.000 1.00 9.11 C ATOM 663 O ALA A 79 31.340 -0.560 15.105 1.00 7.95 O ATOM 664 CB ALA A 79 31.306 -3.542 16.748 1.00 10.11 C ATOM 665 N CYS A 80 30.881 -2.481 14.020 1.00 3.01 N ATOM 666 CA CYS A 80 30.056 -1.850 13.002 1.00 2.94 C ATOM 667 C CYS A 80 28.720 -2.581 12.994 1.00 6.16 C ATOM 668 O CYS A 80 28.680 -3.811 12.967 1.00 6.81 O ATOM 669 CB CYS A 80 30.702 -1.966 11.623 1.00 2.30 C ATOM 670 SG CYS A 80 29.805 -1.039 10.340 1.00 9.99 S ATOM 671 N ARG A 81 27.633 -1.819 13.035 1.00 3.33 N ATOM 672 CA ARG A 81 26.292 -2.393 13.027 1.00 6.35 C ATOM 673 C ARG A 81 25.601 -2.023 11.725 1.00 11.37 C ATOM 674 O ARG A 81 25.519 -0.847 11.362 1.00 6.60 O ATOM 675 CB ARG A 81 25.477 -1.866 14.200 1.00 2.81 C ATOM 676 CG ARG A 81 24.107 -2.512 14.331 1.00 9.85 C ATOM 677 CD ARG A 81 23.419 -2.022 15.592 1.00 12.92 C ATOM 678 NE ARG A 81 23.234 -0.576 15.554 1.00 21.28 N ATOM 679 CZ ARG A 81 23.074 0.187 16.629 1.00 33.72 C ATOM 680 NH1 ARG A 81 23.078 -0.359 17.838 1.00 17.37 N ATOM 681 NH2 ARG A 81 22.913 1.496 16.493 1.00 14.03 N ATOM 682 N VAL A 82 25.092 -3.034 11.036 1.00 3.59 N ATOM 683 CA VAL A 82 24.436 -2.824 9.757 1.00 4.31 C ATOM 684 C VAL A 82 23.026 -3.392 9.720 1.00 12.60 C ATOM 685 O VAL A 82 22.788 -4.509 10.179 1.00 6.01 O ATOM 686 CB VAL A 82 25.254 -3.484 8.617 1.00 1.92 C ATOM 687 CG1 VAL A 82 24.522 -3.352 7.296 1.00 1.00 C ATOM 688 CG2 VAL A 82 26.634 -2.854 8.530 1.00 4.82 C ATOM 689 N ASN A 83 22.097 -2.604 9.182 1.00 3.06 N ATOM 690 CA ASN A 83 20.712 -3.034 9.019 1.00 1.00 C ATOM 691 C ASN A 83 20.419 -2.936 7.528 1.00 5.48 C ATOM 692 O ASN A 83 20.694 -1.912 6.900 1.00 5.43 O ATOM 693 CB ASN A 83 19.751 -2.138 9.802 1.00 9.45 C ATOM 694 CG ASN A 83 19.483 -2.655 11.201 1.00 42.89 C ATOM 695 OD1 ASN A 83 19.012 -3.777 11.379 1.00 45.58 O ATOM 696 ND2 ASN A 83 19.778 -1.836 12.201 1.00 48.44 N ATOM 697 N HIS A 84 19.878 -4.012 6.965 1.00 3.33 N ATOM 698 CA HIS A 84 19.564 -4.082 5.539 1.00 3.87 C ATOM 699 C HIS A 84 18.375 -5.029 5.406 1.00 1.75 C ATOM 700 O HIS A 84 18.128 -5.836 6.303 1.00 7.26 O ATOM 701 CB HIS A 84 20.782 -4.630 4.778 1.00 1.37 C ATOM 702 CG HIS A 84 20.676 -4.525 3.285 1.00 4.21 C ATOM 703 ND1 HIS A 84 20.393 -5.608 2.480 1.00 4.42 N ATOM 704 CD2 HIS A 84 20.835 -3.468 2.452 1.00 2.54 C ATOM 705 CE1 HIS A 84 20.382 -5.223 1.215 1.00 2.70 C ATOM 706 NE2 HIS A 84 20.648 -3.929 1.171 1.00 3.16 N ATOM 707 N VAL A 85 17.637 -4.944 4.301 1.00 5.23 N ATOM 708 CA VAL A 85 16.478 -5.815 4.138 1.00 3.12 C ATOM 709 C VAL A 85 16.842 -7.293 4.107 1.00 7.77 C ATOM 710 O VAL A 85 16.014 -8.145 4.443 1.00 5.95 O ATOM 711 CB VAL A 85 15.661 -5.467 2.866 1.00 4.75 C ATOM 712 CG1 VAL A 85 15.035 -4.093 3.021 1.00 15.15 C ATOM 713 CG2 VAL A 85 16.547 -5.518 1.633 1.00 4.93 C ATOM 714 N THR A 86 18.080 -7.594 3.726 1.00 2.64 N ATOM 715 CA THR A 86 18.546 -8.981 3.655 1.00 3.75 C ATOM 716 C THR A 86 18.923 -9.540 5.028 1.00 7.90 C ATOM 717 O THR A 86 19.169 -10.736 5.165 1.00 2.51 O ATOM 718 CB THR A 86 19.782 -9.119 2.732 1.00 7.67 C ATOM 719 OG1 THR A 86 20.832 -8.260 3.204 1.00 4.86 O ATOM 720 CG2 THR A 86 19.425 -8.742 1.291 1.00 6.02 C ATOM 721 N LEU A 87 18.972 -8.673 6.036 1.00 5.57 N ATOM 722 CA LEU A 87 19.329 -9.083 7.395 1.00 5.94 C ATOM 723 C LEU A 87 18.116 -8.985 8.314 1.00 9.44 C ATOM 724 O LEU A 87 17.663 -7.888 8.633 1.00 11.11 O ATOM 725 CB LEU A 87 20.454 -8.189 7.929 1.00 4.30 C ATOM 726 CG LEU A 87 21.739 -8.132 7.097 1.00 6.29 C ATOM 727 CD1 LEU A 87 22.634 -6.997 7.587 1.00 6.37 C ATOM 728 CD2 LEU A 87 22.459 -9.464 7.176 1.00 9.45 C ATOM 729 N SER A 88 17.595 -10.133 8.741 1.00 5.89 N ATOM 730 CA SER A 88 16.426 -10.159 9.616 1.00 5.64 C ATOM 731 C SER A 88 16.715 -9.458 10.939 1.00 10.12 C ATOM 732 O SER A 88 15.823 -8.872 11.551 1.00 12.66 O ATOM 733 CB SER A 88 15.980 -11.603 9.866 1.00 7.46 C ATOM 734 OG SER A 88 17.068 -12.416 10.262 1.00 9.86 O ATOM 735 N GLN A 89 17.967 -9.524 11.371 1.00 7.50 N ATOM 736 CA GLN A 89 18.398 -8.874 12.602 1.00 8.34 C ATOM 737 C GLN A 89 19.626 -8.051 12.233 1.00 5.65 C ATOM 738 O GLN A 89 20.384 -8.433 11.344 1.00 6.99 O ATOM 739 CB GLN A 89 18.775 -9.916 13.661 1.00 14.53 C ATOM 740 CG GLN A 89 17.632 -10.835 14.083 1.00 11.85 C ATOM 741 CD GLN A 89 16.431 -10.073 14.615 1.00 40.36 C ATOM 742 OE1 GLN A 89 16.560 -9.231 15.503 1.00 39.09 O ATOM 743 NE2 GLN A 89 15.252 -10.372 14.075 1.00 35.40 N ATOM 744 N PRO A 90 19.834 -6.903 12.897 1.00 10.49 N ATOM 745 CA PRO A 90 21.015 -6.109 12.549 1.00 7.73 C ATOM 746 C PRO A 90 22.282 -6.937 12.741 1.00 6.35 C ATOM 747 O PRO A 90 22.387 -7.721 13.687 1.00 9.51 O ATOM 748 CB PRO A 90 20.929 -4.920 13.507 1.00 15.01 C ATOM 749 CG PRO A 90 20.204 -5.489 14.694 1.00 28.25 C ATOM 750 CD PRO A 90 19.121 -6.316 14.044 1.00 16.04 C ATOM 751 N LYS A 91 23.233 -6.778 11.832 1.00 5.83 N ATOM 752 CA LYS A 91 24.476 -7.525 11.918 1.00 5.81 C ATOM 753 C LYS A 91 25.553 -6.669 12.558 1.00 9.45 C ATOM 754 O LYS A 91 25.778 -5.532 12.153 1.00 7.88 O ATOM 755 CB LYS A 91 24.930 -7.977 10.529 1.00 8.26 C ATOM 756 CG LYS A 91 26.185 -8.838 10.549 1.00 19.99 C ATOM 757 CD LYS A 91 26.545 -9.366 9.166 1.00 27.33 C ATOM 758 CE LYS A 91 25.486 -10.315 8.635 1.00 40.35 C ATOM 759 NZ LYS A 91 25.884 -10.908 7.325 1.00 47.17 N ATOM 760 N ILE A 92 26.206 -7.219 13.575 1.00 5.23 N ATOM 761 CA ILE A 92 27.266 -6.499 14.262 1.00 5.94 C ATOM 762 C ILE A 92 28.583 -7.217 14.034 1.00 10.29 C ATOM 763 O ILE A 92 28.731 -8.389 14.378 1.00 11.31 O ATOM 764 CB ILE A 92 26.996 -6.410 15.779 1.00 8.85 C ATOM 765 CG1 ILE A 92 25.673 -5.683 16.028 1.00 11.75 C ATOM 766 CG2 ILE A 92 28.142 -5.680 16.468 1.00 14.74 C ATOM 767 CD1 ILE A 92 25.236 -5.667 17.474 1.00 16.55 C ATOM 768 N VAL A 93 29.531 -6.514 13.425 1.00 8.10 N ATOM 769 CA VAL A 93 30.845 -7.076 13.158 1.00 7.44 C ATOM 770 C VAL A 93 31.826 -6.307 14.021 1.00 13.19 C ATOM 771 O VAL A 93 31.963 -5.091 13.894 1.00 6.78 O ATOM 772 CB VAL A 93 31.237 -6.923 11.673 1.00 6.34 C ATOM 773 CG1 VAL A 93 32.647 -7.449 11.446 1.00 11.20 C ATOM 774 CG2 VAL A 93 30.241 -7.679 10.795 1.00 12.33 C ATOM 775 N LYS A 94 32.498 -7.020 14.915 1.00 14.66 N ATOM 776 CA LYS A 94 33.455 -6.389 15.808 1.00 11.67 C ATOM 777 C LYS A 94 34.761 -6.048 15.109 1.00 15.84 C ATOM 778 O LYS A 94 35.133 -6.661 14.104 1.00 14.92 O ATOM 779 CB LYS A 94 33.744 -7.306 17.002 1.00 20.51 C ATOM 780 CG LYS A 94 32.535 -7.596 17.871 1.00 26.19 C ATOM 781 CD LYS A 94 32.903 -8.495 19.042 1.00 41.19 C ATOM 782 CE LYS A 94 31.704 -8.752 19.940 1.00 47.27 C ATOM 783 NZ LYS A 94 32.056 -9.604 21.110 1.00 53.10 N ATOM 784 N TRP A 95 35.446 -5.043 15.639 1.00 12.29 N ATOM 785 CA TRP A 95 36.732 -4.642 15.104 1.00 13.40 C ATOM 786 C TRP A 95 37.762 -5.496 15.825 1.00 20.26 C ATOM 787 O TRP A 95 37.769 -5.566 17.056 1.00 27.16 O ATOM 788 CB TRP A 95 37.002 -3.162 15.393 1.00 15.49 C ATOM 789 CG TRP A 95 38.421 -2.749 15.145 1.00 11.27 C ATOM 790 CD1 TRP A 95 39.126 -2.884 13.984 1.00 15.26 C ATOM 791 CD2 TRP A 95 39.310 -2.132 16.086 1.00 14.99 C ATOM 792 NE1 TRP A 95 40.399 -2.390 14.142 1.00 21.95 N ATOM 793 CE2 TRP A 95 40.539 -1.922 15.423 1.00 14.68 C ATOM 794 CE3 TRP A 95 39.186 -1.735 17.425 1.00 20.80 C ATOM 795 CZ2 TRP A 95 41.640 -1.332 16.053 1.00 17.71 C ATOM 796 CZ3 TRP A 95 40.283 -1.147 18.053 1.00 20.40 C ATOM 797 CH2 TRP A 95 41.493 -0.953 17.364 1.00 12.57 C ATOM 798 N ASP A 96 38.614 -6.161 15.056 1.00 19.31 N ATOM 799 CA ASP A 96 39.659 -6.994 15.633 1.00 38.22 C ATOM 800 C ASP A 96 40.954 -6.186 15.715 1.00 41.70 C ATOM 801 O ASP A 96 41.881 -6.473 14.927 1.00 61.54 O ATOM 802 CB ASP A 96 39.880 -8.243 14.780 1.00 35.17 C ATOM 803 CG ASP A 96 40.806 -9.240 15.444 1.00 45.90 C ATOM 804 OD1 ASP A 96 41.919 -8.840 15.843 1.00 33.75 O ATOM 805 OD2 ASP A 96 40.421 -10.422 15.568 1.00 45.64 O TER 806 ASP A 96 HETATM 807 NA NA A 100 16.750 -5.880 8.209 1.00 15.25 Na HETATM 808 O HOH A 101 27.570 5.718 13.490 1.00 8.12 O HETATM 809 O HOH A 102 32.347 3.959 -1.793 1.00 10.51 O HETATM 810 O HOH A 103 42.468 0.333 3.154 1.00 11.57 O HETATM 811 O HOH A 104 17.601 -2.451 2.829 1.00 8.71 O HETATM 812 O HOH A 105 33.179 -5.549 2.885 1.00 6.83 O HETATM 813 O HOH A 106 14.609 -6.255 -1.884 1.00 10.37 O HETATM 814 O HOH A 107 23.081 0.472 12.523 1.00 12.98 O HETATM 815 O HOH A 108 21.490 -12.319 4.822 1.00 11.69 O HETATM 816 O HOH A 109 21.395 4.660 13.135 1.00 20.47 O HETATM 817 O HOH A 110 25.401 -9.832 14.751 1.00 15.91 O HETATM 818 O HOH A 111 39.991 1.644 3.370 1.00 13.53 O HETATM 819 O HOH A 112 19.068 -12.332 7.479 1.00 14.01 O HETATM 820 O HOH A 113 40.222 3.908 4.778 1.00 15.93 O HETATM 821 O HOH A 114 36.048 -7.258 9.945 1.00 14.12 O HETATM 822 O HOH A 115 35.826 11.006 14.744 1.00 18.68 O HETATM 823 O HOH A 116 31.011 -1.745 20.387 1.00 18.41 O HETATM 824 O HOH A 117 43.587 9.292 16.111 1.00 10.88 O HETATM 825 O HOH A 118 30.334 -10.080 6.018 1.00 16.94 O HETATM 826 O HOH A 119 28.883 1.572 27.253 1.00 29.66 O HETATM 827 O HOH A 120 33.766 10.336 16.272 1.00 16.67 O HETATM 828 O HOH A 121 50.955 5.653 14.539 1.00 17.03 O HETATM 829 O HOH A 122 26.881 0.787 -13.651 1.00 20.86 O HETATM 830 O HOH A 123 15.888 -3.791 7.376 1.00 11.91 O HETATM 831 O HOH A 124 19.819 -0.406 -8.460 1.00 10.92 O HETATM 832 O HOH A 125 37.751 6.451 20.183 1.00 16.41 O HETATM 833 O HOH A 126 34.269 2.202 -1.178 1.00 20.31 O HETATM 834 O HOH A 127 19.996 -14.562 4.862 1.00 8.01 O HETATM 835 O HOH A 128 31.157 10.896 -0.579 1.00 25.57 O HETATM 836 O HOH A 129 14.565 -0.222 -1.948 1.00 18.80 O HETATM 837 O HOH A 130 36.470 -3.957 -3.050 1.00 29.72 O HETATM 838 O HOH A 131 19.538 -12.500 11.216 1.00 32.11 O HETATM 839 O HOH A 132 32.004 7.777 -3.502 1.00 16.84 O HETATM 840 O HOH A 133 29.484 10.108 -3.934 1.00 22.54 O HETATM 841 O HOH A 134 16.375 -5.097 -7.770 1.00 17.93 O HETATM 842 O HOH A 135 45.422 5.168 17.896 1.00 16.14 O HETATM 843 O HOH A 136 32.649 -10.068 14.698 1.00 19.22 O HETATM 844 O HOH A 137 29.286 -9.516 16.775 1.00 35.36 O HETATM 845 O HOH A 138 15.083 -7.279 7.213 1.00 16.86 O HETATM 846 O HOH A 139 22.162 -10.383 11.088 1.00 22.87 O HETATM 847 O HOH A 140 28.815 9.376 -0.939 1.00 24.32 O HETATM 848 O HOH A 141 15.320 -6.331 10.480 1.00 26.51 O HETATM 849 O HOH A 142 36.311 -6.684 0.169 1.00 26.80 O HETATM 850 O HOH A 143 14.799 -6.990 13.091 1.00 33.24 O HETATM 851 O HOH A 144 50.529 3.062 15.371 1.00 28.25 O HETATM 852 O HOH A 145 35.191 6.733 19.243 1.00 20.64 O HETATM 853 O HOH A 146 23.225 -2.888 18.867 1.00 25.34 O HETATM 854 O HOH A 147 22.940 -10.590 13.837 1.00 28.02 O HETATM 855 O HOH A 148 35.179 8.202 17.073 1.00 27.22 O HETATM 856 O HOH A 149 37.316 -3.828 19.446 1.00 15.87 O HETATM 857 O HOH A 150 17.370 0.139 9.238 1.00 20.64 O HETATM 858 O HOH A 151 15.745 -5.280 -4.415 1.00 20.45 O HETATM 859 O HOH A 152 21.603 -12.254 9.269 1.00 39.10 O HETATM 860 O HOH A 153 31.512 -5.149 -9.681 1.00 21.30 O HETATM 861 O HOH A 154 23.353 -12.930 6.767 1.00 16.78 O HETATM 862 O HOH A 155 38.981 4.672 23.177 1.00 31.98 O HETATM 863 O HOH A 156 30.741 4.766 24.022 1.00 25.76 O HETATM 864 O HOH A 157 47.348 0.711 15.003 1.00 31.26 O HETATM 865 O HOH A 158 40.859 5.556 6.768 1.00 26.22 O HETATM 866 O HOH A 159 24.920 -6.644 -5.622 1.00 28.49 O HETATM 867 O HOH A 160 42.689 -3.341 11.282 1.00 13.20 O HETATM 868 O HOH A 161 43.450 -4.282 8.872 1.00 16.03 O HETATM 869 O HOH A 162 41.366 -5.599 12.248 1.00 28.32 O HETATM 870 O HOH A 163 37.539 11.948 11.093 1.00 16.78 O HETATM 871 O HOH A 164 30.470 11.076 18.503 1.00 24.84 O HETATM 872 O HOH A 165 38.656 -6.463 7.908 1.00 24.11 O HETATM 873 O HOH A 166 22.859 7.860 18.955 1.00 27.98 O HETATM 874 O HOH A 167 19.483 -1.627 15.208 1.00 19.63 O HETATM 875 O HOH A 168 34.233 -9.382 8.181 1.00 21.53 O HETATM 876 O HOH A 169 28.970 9.577 20.204 1.00 24.25 O HETATM 877 O HOH A 170 25.090 -2.159 -14.529 1.00 20.05 O HETATM 878 O HOH A 171 53.044 11.300 9.946 1.00 28.11 O HETATM 879 O HOH A 172 23.760 0.694 20.314 1.00 23.87 O HETATM 880 O HOH A 173 36.689 3.227 -0.745 1.00 25.94 O HETATM 881 O HOH A 174 13.143 -5.401 -10.333 1.00 26.51 O HETATM 882 O HOH A 175 25.428 -8.920 5.666 1.00 22.87 O HETATM 883 O HOH A 176 37.854 0.125 0.233 0.50 18.09 O HETATM 884 O HOH A 177 51.471 12.069 12.709 1.00 32.91 O HETATM 885 O HOH A 178 38.418 -6.752 12.554 1.00 25.99 O HETATM 886 O HOH A 179 15.106 -1.805 0.979 1.00 15.92 O HETATM 887 O HOH A 180 13.640 -4.196 -0.586 1.00 21.29 O HETATM 888 O HOH A 181 31.574 11.766 3.560 1.00 27.86 O HETATM 889 O HOH A 182 18.112 -0.216 6.606 1.00 29.48 O HETATM 890 O HOH A 183 45.311 1.241 12.154 1.00 17.03 O HETATM 891 O HOH A 184 27.210 7.357 23.936 1.00 29.09 O HETATM 892 O HOH A 185 15.746 -4.442 12.629 1.00 28.14 O HETATM 893 O HOH A 186 44.818 0.360 15.680 1.00 20.79 O HETATM 894 O HOH A 187 45.295 8.001 17.691 1.00 36.02 O HETATM 895 O HOH A 188 12.926 3.195 0.724 1.00 24.33 O HETATM 896 O HOH A 189 16.405 -1.555 5.134 1.00 29.40 O HETATM 897 O HOH A 190 37.111 9.954 18.786 1.00 34.22 O HETATM 898 O HOH A 191 34.359 11.528 2.727 1.00 40.57 O HETATM 899 O HOH A 192 42.172 -5.220 6.490 1.00 21.00 O HETATM 900 O HOH A 193 32.443 4.036 26.249 1.00 42.07 O HETATM 901 O HOH A 194 28.949 -10.732 12.970 1.00 34.78 O HETATM 902 O HOH A 195 21.600 -4.764 17.572 1.00 35.35 O HETATM 903 O HOH A 196 15.985 -7.726 -11.734 1.00 21.50 O HETATM 904 O HOH A 197 26.970 -1.815 25.673 1.00 32.86 O HETATM 905 O HOH A 198 22.124 -7.793 16.334 1.00 25.24 O HETATM 906 O HOH A 199 25.284 6.901 21.278 1.00 27.03 O HETATM 907 O HOH A 200 26.957 3.158 28.081 1.00 29.22 O HETATM 908 O HOH A 201 28.369 11.465 2.295 1.00 35.05 O HETATM 909 O HOH A 202 31.934 -6.634 -5.393 1.00 27.66 O HETATM 910 O HOH A 203 18.470 -5.133 9.301 1.00 17.27 O CONECT 211 670 210 CONECT 626 627 619 CONECT 627 626 630 628 CONECT 628 627 629 CONECT 629 628 CONECT 630 627 631 CONECT 631 630 632 CONECT 632 631 633 CONECT 633 632 634 CONECT 634 633 CONECT 635 636 CONECT 636 635 637 638 CONECT 637 636 CONECT 638 636 CONECT 670 211 669 CONECT 700 699 807 CONECT 724 723 807 CONECT 798 799 786 CONECT 799 798 802 800 CONECT 800 799 801 CONECT 801 800 CONECT 802 799 803 CONECT 803 802 804 805 CONECT 804 803 CONECT 805 803 CONECT 807 724 830 848 845 CONECT 807 910 700 CONECT 830 807 CONECT 845 807 CONECT 848 807 CONECT 910 807 END If you find results from this site helpful for your research, please cite one of our papers:
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