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*** IMMUNE SYSTEM 09-APR-02 1LDS ***elNémo ID: 2604171641013049662Job options:ID = 2604171641013049662 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 MET 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 ASP 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 HIS A 84 NA NA A 100 1555 1555 2.35 LINK NA NA A 100 O HOH A 123 1555 1555 2.41 LINK NA NA A 100 O HOH A 138 1555 1555 2.39 LINK O LEU A 87 NA NA A 100 1555 1555 2.25 LINK NA NA A 100 O HOH A 141 1555 1555 2.72 LINK NA NA A 100 O HOH A 203 1555 1555 2.17 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 MET A 27 31.263 -1.690 3.778 1.00 2.53 N ATOM 225 CA MET A 27 30.069 -2.484 3.480 1.00 1.00 C ATOM 226 C MET A 27 30.013 -2.590 1.960 1.00 6.29 C ATOM 227 O MET A 27 29.782 -1.598 1.272 1.00 4.64 O ATOM 228 CB MET A 27 28.833 -1.779 3.999 1.00 6.42 C ATOM 229 CG MET A 27 27.595 -2.560 3.571 1.00 6.42 C ATOM 230 SD MET A 27 26.102 -1.731 4.168 1.00 6.42 S ATOM 231 CE MET A 27 26.237 -2.065 5.911 1.00 6.42 C ATOM 232 N SER A 28 30.202 -3.799 1.438 1.00 7.30 N ATOM 233 CA SER A 28 30.285 -3.969 -0.006 1.00 5.33 C ATOM 234 C SER A 28 29.359 -4.938 -0.723 1.00 6.31 C ATOM 235 O SER A 28 28.902 -5.929 -0.154 1.00 5.47 O ATOM 236 CB SER A 28 31.722 -4.352 -0.352 1.00 8.45 C ATOM 237 OG SER A 28 32.078 -5.547 0.335 1.00 7.42 O ATOM 238 N GLY A 29 29.131 -4.630 -1.999 1.00 4.91 N ATOM 239 CA GLY A 29 28.313 -5.448 -2.879 1.00 4.59 C ATOM 240 C GLY A 29 26.865 -5.674 -2.505 1.00 7.77 C ATOM 241 O GLY A 29 26.304 -6.717 -2.833 1.00 11.51 O ATOM 242 N PHE A 30 26.239 -4.705 -1.847 1.00 3.38 N ATOM 243 CA PHE A 30 24.852 -4.887 -1.442 1.00 2.53 C ATOM 244 C PHE A 30 23.818 -4.271 -2.379 1.00 10.78 C ATOM 245 O PHE A 30 24.132 -3.397 -3.186 1.00 5.84 O ATOM 246 CB PHE A 30 24.638 -4.344 -0.023 1.00 5.77 C ATOM 247 CG PHE A 30 24.920 -2.869 0.126 1.00 4.24 C ATOM 248 CD1 PHE A 30 26.220 -2.406 0.330 1.00 2.86 C ATOM 249 CD2 PHE A 30 23.880 -1.947 0.084 1.00 5.94 C ATOM 250 CE1 PHE A 30 26.474 -1.039 0.497 1.00 4.07 C ATOM 251 CE2 PHE A 30 24.122 -0.582 0.249 1.00 1.81 C ATOM 252 CZ PHE A 30 25.419 -0.129 0.456 1.00 2.57 C ATOM 253 N HIS A 31 22.585 -4.760 -2.260 1.00 4.68 N ATOM 254 CA HIS A 31 21.440 -4.282 -3.032 1.00 2.85 C ATOM 255 C HIS A 31 20.183 -4.819 -2.349 1.00 2.70 C ATOM 256 O HIS A 31 20.151 -5.977 -1.922 1.00 3.31 O ATOM 257 CB HIS A 31 21.502 -4.782 -4.483 1.00 4.13 C ATOM 258 CG HIS A 31 20.617 -4.018 -5.419 1.00 5.32 C ATOM 259 ND1 HIS A 31 19.354 -4.444 -5.773 1.00 6.01 N ATOM 260 CD2 HIS A 31 20.793 -2.821 -6.029 1.00 10.04 C ATOM 261 CE1 HIS A 31 18.791 -3.543 -6.560 1.00 16.44 C ATOM 262 NE2 HIS A 31 19.644 -2.548 -6.730 1.00 14.29 N ATOM 263 N PRO A 32 19.132 -3.987 -2.221 1.00 4.15 N ATOM 264 CA PRO A 32 19.046 -2.591 -2.672 1.00 1.07 C ATOM 265 C PRO A 32 19.985 -1.678 -1.893 1.00 4.50 C ATOM 266 O PRO A 32 20.607 -2.104 -0.926 1.00 4.79 O ATOM 267 CB PRO A 32 17.576 -2.248 -2.449 1.00 2.62 C ATOM 268 CG PRO A 32 17.224 -3.078 -1.252 1.00 11.51 C ATOM 269 CD PRO A 32 17.873 -4.405 -1.580 1.00 12.35 C ATOM 270 N SER A 33 20.070 -0.419 -2.316 1.00 5.38 N ATOM 271 CA SER A 33 20.953 0.551 -1.677 1.00 4.80 C ATOM 272 C SER A 33 20.506 1.011 -0.287 1.00 1.28 C ATOM 273 O SER A 33 21.337 1.462 0.502 1.00 5.58 O ATOM 274 CB SER A 33 21.124 1.770 -2.588 1.00 1.00 C ATOM 275 OG SER A 33 19.873 2.398 -2.796 1.00 5.72 O ATOM 276 N ASP A 34 19.209 0.918 0.011 1.00 1.00 N ATOM 277 CA ASP A 34 18.706 1.317 1.330 1.00 1.33 C ATOM 278 C ASP A 34 19.517 0.597 2.400 1.00 4.71 C ATOM 279 O ASP A 34 19.657 -0.623 2.362 1.00 3.90 O ATOM 280 CB ASP A 34 17.237 0.934 1.504 1.00 3.64 C ATOM 281 CG ASP A 34 16.322 1.680 0.564 1.00 10.10 C ATOM 282 OD1 ASP A 34 16.564 1.643 -0.660 1.00 34.23 O ATOM 283 OD2 ASP A 34 15.352 2.290 1.057 1.00 12.60 O ATOM 284 N ILE A 35 20.036 1.340 3.369 1.00 2.93 N ATOM 285 CA ILE A 35 20.833 0.703 4.405 1.00 3.48 C ATOM 286 C ILE A 35 21.054 1.647 5.583 1.00 5.41 C ATOM 287 O ILE A 35 20.914 2.858 5.453 1.00 3.79 O ATOM 288 CB ILE A 35 22.197 0.252 3.812 1.00 1.84 C ATOM 289 CG1 ILE A 35 22.831 -0.827 4.690 1.00 2.27 C ATOM 290 CG2 ILE A 35 23.133 1.452 3.663 1.00 5.07 C ATOM 291 CD1 ILE A 35 24.018 -1.518 4.029 1.00 5.70 C ATOM 292 N GLU A 36 21.363 1.073 6.739 1.00 4.67 N ATOM 293 CA GLU A 36 21.638 1.846 7.942 1.00 8.88 C ATOM 294 C GLU A 36 22.937 1.275 8.489 1.00 8.06 C ATOM 295 O GLU A 36 23.059 0.065 8.677 1.00 5.17 O ATOM 296 CB GLU A 36 20.507 1.689 8.962 1.00 2.69 C ATOM 297 CG GLU A 36 20.787 2.356 10.301 1.00 8.02 C ATOM 298 CD GLU A 36 19.594 2.310 11.233 1.00 17.36 C ATOM 299 OE1 GLU A 36 18.883 1.284 11.238 1.00 15.29 O ATOM 300 OE2 GLU A 36 19.372 3.294 11.966 1.00 14.36 O ATOM 301 N VAL A 37 23.914 2.143 8.728 1.00 3.70 N ATOM 302 CA VAL A 37 25.210 1.697 9.218 1.00 3.23 C ATOM 303 C VAL A 37 25.706 2.586 10.338 1.00 7.35 C ATOM 304 O VAL A 37 25.658 3.808 10.235 1.00 5.44 O ATOM 305 CB VAL A 37 26.262 1.712 8.090 1.00 1.00 C ATOM 306 CG1 VAL A 37 27.616 1.251 8.628 1.00 5.71 C ATOM 307 CG2 VAL A 37 25.803 0.819 6.943 1.00 4.93 C ATOM 308 N ASP A 38 26.191 1.962 11.404 1.00 4.65 N ATOM 309 CA ASP A 38 26.711 2.699 12.548 1.00 7.24 C ATOM 310 C ASP A 38 27.997 2.088 13.059 1.00 9.24 C ATOM 311 O ASP A 38 28.201 0.878 12.974 1.00 7.97 O ATOM 312 CB ASP A 38 25.707 2.695 13.704 1.00 6.08 C ATOM 313 CG ASP A 38 24.557 3.651 13.485 1.00 11.53 C ATOM 314 OD1 ASP A 38 24.806 4.872 13.410 1.00 12.77 O ATOM 315 OD2 ASP A 38 23.407 3.178 13.394 1.00 12.49 O ATOM 316 N LEU A 39 28.876 2.941 13.569 1.00 3.87 N ATOM 317 CA LEU A 39 30.106 2.470 14.179 1.00 3.85 C ATOM 318 C LEU A 39 29.710 2.491 15.649 1.00 11.34 C ATOM 319 O LEU A 39 28.949 3.363 16.067 1.00 7.55 O ATOM 320 CB LEU A 39 31.260 3.442 13.928 1.00 2.31 C ATOM 321 CG LEU A 39 31.770 3.519 12.487 1.00 9.10 C ATOM 322 CD1 LEU A 39 32.958 4.456 12.413 1.00 7.16 C ATOM 323 CD2 LEU A 39 32.174 2.130 12.023 1.00 6.21 C ATOM 324 N LEU A 40 30.201 1.528 16.421 1.00 6.03 N ATOM 325 CA LEU A 40 29.875 1.450 17.837 1.00 11.60 C ATOM 326 C LEU A 40 31.122 1.465 18.699 1.00 10.58 C ATOM 327 O LEU A 40 32.181 0.990 18.291 1.00 8.71 O ATOM 328 CB LEU A 40 29.109 0.158 18.145 1.00 7.69 C ATOM 329 CG LEU A 40 27.867 -0.211 17.330 1.00 6.51 C ATOM 330 CD1 LEU A 40 27.324 -1.540 17.829 1.00 14.34 C ATOM 331 CD2 LEU A 40 26.812 0.869 17.448 1.00 8.69 C ATOM 332 N LYS A 41 30.981 2.028 19.893 1.00 9.68 N ATOM 333 CA LYS A 41 32.059 2.065 20.869 1.00 11.38 C ATOM 334 C LYS A 41 31.414 1.542 22.142 1.00 8.80 C ATOM 335 O LYS A 41 30.535 2.192 22.712 1.00 11.20 O ATOM 336 CB LYS A 41 32.569 3.484 21.103 1.00 12.19 C ATOM 337 CG LYS A 41 33.722 3.522 22.103 1.00 14.14 C ATOM 338 CD LYS A 41 34.180 4.932 22.406 1.00 12.18 C ATOM 339 CE LYS A 41 35.291 4.914 23.444 1.00 29.29 C ATOM 340 NZ LYS A 41 35.703 6.283 23.853 1.00 25.27 N ATOM 341 N ASN A 42 31.837 0.359 22.567 1.00 11.90 N ATOM 342 CA ASN A 42 31.284 -0.268 23.759 1.00 18.03 C ATOM 343 C ASN A 42 29.760 -0.353 23.672 1.00 27.79 C ATOM 344 O ASN A 42 29.051 -0.056 24.636 1.00 27.23 O ATOM 345 CB ASN A 42 31.706 0.506 25.012 1.00 25.83 C ATOM 346 CG ASN A 42 33.214 0.577 25.168 1.00 18.31 C ATOM 347 OD1 ASN A 42 33.908 -0.431 25.044 1.00 18.76 O ATOM 348 ND2 ASN A 42 33.729 1.772 25.443 1.00 21.84 N ATOM 349 N GLY A 43 29.267 -0.751 22.501 1.00 25.21 N ATOM 350 CA GLY A 43 27.835 -0.895 22.295 1.00 23.86 C ATOM 351 C GLY A 43 27.056 0.380 22.036 1.00 20.96 C ATOM 352 O GLY A 43 25.876 0.325 21.688 1.00 25.63 O ATOM 353 N GLU A 44 27.706 1.526 22.206 1.00 13.88 N ATOM 354 CA GLU A 44 27.065 2.818 21.995 1.00 14.99 C ATOM 355 C GLU A 44 27.344 3.345 20.593 1.00 15.66 C ATOM 356 O GLU A 44 28.468 3.279 20.106 1.00 13.49 O ATOM 357 CB GLU A 44 27.574 3.834 23.023 1.00 24.96 C ATOM 358 CG GLU A 44 27.198 3.534 24.470 1.00 30.10 C ATOM 359 CD GLU A 44 25.755 3.880 24.789 1.00 46.26 C ATOM 360 OE1 GLU A 44 25.335 5.016 24.488 1.00 47.27 O ATOM 361 OE2 GLU A 44 25.042 3.023 25.352 1.00 33.08 O ATOM 362 N ARG A 45 26.312 3.879 19.953 1.00 12.45 N ATOM 363 CA ARG A 45 26.445 4.425 18.609 1.00 16.00 C ATOM 364 C ARG A 45 27.329 5.672 18.599 1.00 15.48 C ATOM 365 O ARG A 45 27.163 6.564 19.430 1.00 19.39 O ATOM 366 CB ARG A 45 25.056 4.766 18.061 1.00 12.17 C ATOM 367 CG ARG A 45 25.048 5.548 16.764 1.00 27.57 C ATOM 368 CD ARG A 45 23.619 5.746 16.274 1.00 29.67 C ATOM 369 NE ARG A 45 23.552 6.552 15.059 1.00 41.22 N ATOM 370 CZ ARG A 45 23.793 7.858 15.011 1.00 47.93 C ATOM 371 NH1 ARG A 45 24.117 8.516 16.115 1.00 48.83 N ATOM 372 NH2 ARG A 45 23.707 8.507 13.857 1.00 40.81 N ATOM 373 N ILE A 46 28.281 5.719 17.671 1.00 7.94 N ATOM 374 CA ILE A 46 29.160 6.877 17.541 1.00 8.09 C ATOM 375 C ILE A 46 28.415 7.879 16.659 1.00 14.48 C ATOM 376 O ILE A 46 28.218 7.651 15.468 1.00 10.05 O ATOM 377 CB ILE A 46 30.513 6.484 16.895 1.00 6.08 C ATOM 378 CG1 ILE A 46 31.253 5.508 17.813 1.00 10.15 C ATOM 379 CG2 ILE A 46 31.359 7.724 16.639 1.00 10.90 C ATOM 380 CD1 ILE A 46 32.554 4.971 17.241 1.00 13.79 C ATOM 381 N GLU A 47 27.990 8.985 17.262 1.00 17.83 N ATOM 382 CA GLU A 47 27.231 10.014 16.560 1.00 23.98 C ATOM 383 C GLU A 47 28.038 10.752 15.499 1.00 24.25 C ATOM 384 O GLU A 47 27.525 11.077 14.429 1.00 25.34 O ATOM 385 CB GLU A 47 26.679 11.024 17.569 1.00 33.47 C ATOM 386 CG GLU A 47 25.743 12.060 16.974 1.00 53.45 C ATOM 387 CD GLU A 47 24.440 11.456 16.490 1.00 66.19 C ATOM 388 OE1 GLU A 47 23.694 10.902 17.326 1.00 59.58 O ATOM 389 OE2 GLU A 47 24.161 11.535 15.275 1.00 65.83 O ATOM 390 N LYS A 48 29.303 11.010 15.803 1.00 13.47 N ATOM 391 CA LYS A 48 30.178 11.729 14.893 1.00 24.38 C ATOM 392 C LYS A 48 31.016 10.823 13.994 1.00 21.74 C ATOM 393 O LYS A 48 32.017 10.262 14.431 1.00 14.47 O ATOM 394 CB LYS A 48 31.106 12.640 15.702 1.00 26.34 C ATOM 395 CG LYS A 48 32.110 13.427 14.882 1.00 29.56 C ATOM 396 CD LYS A 48 33.051 14.200 15.794 1.00 33.29 C ATOM 397 CE LYS A 48 34.007 15.068 14.997 1.00 50.95 C ATOM 398 NZ LYS A 48 33.279 16.107 14.218 1.00 61.91 N ATOM 399 N VAL A 49 30.590 10.667 12.744 1.00 17.01 N ATOM 400 CA VAL A 49 31.338 9.870 11.776 1.00 10.20 C ATOM 401 C VAL A 49 31.580 10.791 10.585 1.00 15.47 C ATOM 402 O VAL A 49 30.678 11.060 9.791 1.00 15.53 O ATOM 403 CB VAL A 49 30.568 8.613 11.329 1.00 7.87 C ATOM 404 CG1 VAL A 49 31.385 7.855 10.287 1.00 7.12 C ATOM 405 CG2 VAL A 49 30.304 7.713 12.535 1.00 9.70 C ATOM 406 N GLU A 50 32.815 11.272 10.489 1.00 7.12 N ATOM 407 CA GLU A 50 33.240 12.217 9.463 1.00 13.36 C ATOM 408 C GLU A 50 33.110 11.825 7.996 1.00 19.43 C ATOM 409 O GLU A 50 32.853 12.682 7.149 1.00 16.94 O ATOM 410 CB GLU A 50 34.693 12.625 9.727 1.00 19.22 C ATOM 411 CG GLU A 50 34.909 13.405 11.013 1.00 44.63 C ATOM 412 CD GLU A 50 34.252 14.773 10.986 1.00 54.17 C ATOM 413 OE1 GLU A 50 34.423 15.532 11.962 1.00 65.17 O ATOM 414 OE2 GLU A 50 33.566 15.092 9.992 1.00 63.53 O ATOM 415 N HIS A 51 33.282 10.546 7.685 1.00 10.35 N ATOM 416 CA HIS A 51 33.224 10.119 6.291 1.00 6.92 C ATOM 417 C HIS A 51 32.238 8.997 5.987 1.00 3.60 C ATOM 418 O HIS A 51 32.171 7.998 6.698 1.00 6.88 O ATOM 419 CB HIS A 51 34.624 9.701 5.845 1.00 14.30 C ATOM 420 CG HIS A 51 35.658 10.766 6.035 1.00 21.79 C ATOM 421 ND1 HIS A 51 35.761 11.860 5.203 1.00 25.21 N ATOM 422 CD2 HIS A 51 36.616 10.920 6.979 1.00 31.85 C ATOM 423 CE1 HIS A 51 36.739 12.642 5.626 1.00 31.43 C ATOM 424 NE2 HIS A 51 37.273 12.095 6.703 1.00 29.86 N ATOM 425 N SER A 52 31.472 9.183 4.916 1.00 9.01 N ATOM 426 CA SER A 52 30.493 8.199 4.466 1.00 5.16 C ATOM 427 C SER A 52 30.500 8.296 2.942 1.00 15.14 C ATOM 428 O SER A 52 29.829 9.148 2.366 1.00 16.36 O ATOM 429 CB SER A 52 29.102 8.536 5.010 1.00 11.20 C ATOM 430 OG SER A 52 28.177 7.497 4.737 1.00 9.94 O ATOM 431 N ASP A 53 31.273 7.427 2.299 1.00 7.19 N ATOM 432 CA ASP A 53 31.393 7.439 0.843 1.00 9.62 C ATOM 433 C ASP A 53 30.648 6.285 0.184 1.00 8.88 C ATOM 434 O ASP A 53 30.994 5.120 0.385 1.00 8.55 O ATOM 435 CB ASP A 53 32.872 7.383 0.433 1.00 13.75 C ATOM 436 CG ASP A 53 33.722 8.427 1.143 1.00 23.24 C ATOM 437 OD1 ASP A 53 33.209 9.528 1.421 1.00 12.00 O ATOM 438 OD2 ASP A 53 34.910 8.151 1.410 1.00 21.97 O ATOM 439 N LEU A 54 29.638 6.620 -0.616 1.00 7.75 N ATOM 440 CA LEU A 54 28.838 5.619 -1.315 1.00 6.54 C ATOM 441 C LEU A 54 29.145 5.627 -2.809 1.00 10.68 C ATOM 442 O LEU A 54 29.351 6.683 -3.408 1.00 7.83 O ATOM 443 CB LEU A 54 27.347 5.894 -1.113 1.00 3.57 C ATOM 444 CG LEU A 54 26.373 4.906 -1.764 1.00 7.10 C ATOM 445 CD1 LEU A 54 26.383 3.595 -0.983 1.00 7.58 C ATOM 446 CD2 LEU A 54 24.974 5.497 -1.779 1.00 7.25 C ATOM 447 N SER A 55 29.171 4.438 -3.399 1.00 3.83 N ATOM 448 CA SER A 55 29.434 4.280 -4.821 1.00 3.58 C ATOM 449 C SER A 55 28.761 2.999 -5.288 1.00 1.00 C ATOM 450 O SER A 55 28.215 2.249 -4.482 1.00 1.00 O ATOM 451 CB SER A 55 30.943 4.190 -5.082 1.00 3.07 C ATOM 452 OG SER A 55 31.518 3.046 -4.467 1.00 7.96 O ATOM 453 N PHE A 56 28.780 2.772 -6.594 1.00 4.73 N ATOM 454 CA PHE A 56 28.215 1.561 -7.167 1.00 6.04 C ATOM 455 C PHE A 56 29.061 1.178 -8.374 1.00 4.14 C ATOM 456 O PHE A 56 29.697 2.034 -8.986 1.00 9.73 O ATOM 457 CB PHE A 56 26.736 1.771 -7.555 1.00 2.12 C ATOM 458 CG PHE A 56 26.507 2.815 -8.623 1.00 7.24 C ATOM 459 CD1 PHE A 56 26.610 2.490 -9.973 1.00 8.10 C ATOM 460 CD2 PHE A 56 26.157 4.117 -8.273 1.00 6.14 C ATOM 461 CE1 PHE A 56 26.364 3.451 -10.964 1.00 5.87 C ATOM 462 CE2 PHE A 56 25.910 5.085 -9.254 1.00 7.31 C ATOM 463 CZ PHE A 56 26.014 4.749 -10.598 1.00 8.06 C ATOM 464 N SER A 57 29.110 -0.113 -8.685 1.00 4.22 N ATOM 465 CA SER A 57 29.869 -0.587 -9.840 1.00 6.27 C ATOM 466 C SER A 57 28.783 -0.872 -10.866 1.00 11.84 C ATOM 467 O SER A 57 28.460 -0.018 -11.692 1.00 13.56 O ATOM 468 CB SER A 57 30.648 -1.859 -9.487 1.00 6.55 C ATOM 469 OG SER A 57 29.799 -2.846 -8.934 1.00 6.78 O ATOM 470 N LYS A 58 28.211 -2.068 -10.806 1.00 10.45 N ATOM 471 CA LYS A 58 27.104 -2.404 -11.689 1.00 17.82 C ATOM 472 C LYS A 58 25.965 -1.595 -11.071 1.00 26.11 C ATOM 473 O LYS A 58 26.059 -1.192 -9.910 1.00 10.15 O ATOM 474 CB LYS A 58 26.780 -3.898 -11.607 1.00 10.51 C ATOM 475 CG LYS A 58 27.851 -4.815 -12.171 1.00 21.44 C ATOM 476 CD LYS A 58 27.917 -4.712 -13.685 1.00 38.83 C ATOM 477 CE LYS A 58 28.885 -5.728 -14.269 1.00 46.78 C ATOM 478 NZ LYS A 58 28.902 -5.675 -15.758 1.00 39.56 N ATOM 479 N ASP A 59 24.899 -1.348 -11.826 1.00 11.95 N ATOM 480 CA ASP A 59 23.779 -0.578 -11.289 1.00 14.03 C ATOM 481 C ASP A 59 23.150 -1.226 -10.059 1.00 18.01 C ATOM 482 O ASP A 59 22.461 -0.562 -9.288 1.00 12.60 O ATOM 483 CB ASP A 59 22.702 -0.376 -12.358 1.00 16.40 C ATOM 484 CG ASP A 59 23.101 0.647 -13.403 1.00 21.20 C ATOM 485 OD1 ASP A 59 24.138 1.317 -13.220 1.00 18.03 O ATOM 486 OD2 ASP A 59 22.369 0.789 -14.404 1.00 20.81 O ATOM 487 N TRP A 60 23.397 -2.519 -9.872 1.00 9.82 N ATOM 488 CA TRP A 60 22.828 -3.247 -8.741 1.00 10.51 C ATOM 489 C TRP A 60 23.852 -3.686 -7.697 1.00 19.63 C ATOM 490 O TRP A 60 23.638 -4.672 -6.993 1.00 11.53 O ATOM 491 CB TRP A 60 22.069 -4.474 -9.251 1.00 11.13 C ATOM 492 CG TRP A 60 22.913 -5.342 -10.124 1.00 20.39 C ATOM 493 CD1 TRP A 60 23.816 -6.285 -9.718 1.00 20.27 C ATOM 494 CD2 TRP A 60 22.982 -5.309 -11.555 1.00 17.37 C ATOM 495 NE1 TRP A 60 24.443 -6.840 -10.809 1.00 23.83 N ATOM 496 CE2 TRP A 60 23.950 -6.259 -11.948 1.00 20.24 C ATOM 497 CE3 TRP A 60 22.319 -4.568 -12.543 1.00 35.60 C ATOM 498 CZ2 TRP A 60 24.274 -6.489 -13.292 1.00 34.58 C ATOM 499 CZ3 TRP A 60 22.642 -4.796 -13.881 1.00 24.62 C ATOM 500 CH2 TRP A 60 23.611 -5.750 -14.240 1.00 25.63 C ATOM 501 N SER A 61 24.962 -2.964 -7.595 1.00 8.13 N ATOM 502 CA SER A 61 25.981 -3.311 -6.608 1.00 4.93 C ATOM 503 C SER A 61 26.527 -2.046 -5.958 1.00 7.18 C ATOM 504 O SER A 61 27.233 -1.264 -6.599 1.00 5.07 O ATOM 505 CB SER A 61 27.113 -4.098 -7.268 1.00 11.51 C ATOM 506 OG SER A 61 28.052 -4.538 -6.301 1.00 12.98 O ATOM 507 N PHE A 62 26.191 -1.850 -4.686 1.00 2.19 N ATOM 508 CA PHE A 62 26.625 -0.666 -3.949 1.00 1.00 C ATOM 509 C PHE A 62 27.747 -0.940 -2.961 1.00 11.73 C ATOM 510 O PHE A 62 27.904 -2.060 -2.466 1.00 2.80 O ATOM 511 CB PHE A 62 25.432 -0.040 -3.216 1.00 1.57 C ATOM 512 CG PHE A 62 24.509 0.733 -4.116 1.00 4.35 C ATOM 513 CD1 PHE A 62 24.560 2.126 -4.161 1.00 5.49 C ATOM 514 CD2 PHE A 62 23.601 0.068 -4.937 1.00 4.91 C ATOM 515 CE1 PHE A 62 23.716 2.847 -5.014 1.00 4.99 C ATOM 516 CE2 PHE A 62 22.752 0.779 -5.795 1.00 9.82 C ATOM 517 CZ PHE A 62 22.811 2.171 -5.832 1.00 4.73 C ATOM 518 N TYR A 63 28.520 0.105 -2.682 1.00 3.81 N ATOM 519 CA TYR A 63 29.650 0.026 -1.768 1.00 3.62 C ATOM 520 C TYR A 63 29.659 1.254 -0.878 1.00 5.07 C ATOM 521 O TYR A 63 29.472 2.372 -1.356 1.00 5.16 O ATOM 522 CB TYR A 63 30.961 -0.026 -2.553 1.00 3.19 C ATOM 523 CG TYR A 63 31.004 -1.157 -3.544 1.00 3.40 C ATOM 524 CD1 TYR A 63 30.393 -1.038 -4.792 1.00 5.70 C ATOM 525 CD2 TYR A 63 31.581 -2.381 -3.205 1.00 4.94 C ATOM 526 CE1 TYR A 63 30.348 -2.109 -5.674 1.00 10.08 C ATOM 527 CE2 TYR A 63 31.541 -3.460 -4.082 1.00 8.07 C ATOM 528 CZ TYR A 63 30.922 -3.316 -5.312 1.00 11.23 C ATOM 529 OH TYR A 63 30.863 -4.385 -6.175 1.00 12.27 O ATOM 530 N LEU A 64 29.884 1.040 0.413 1.00 2.65 N ATOM 531 CA LEU A 64 29.923 2.139 1.363 1.00 5.08 C ATOM 532 C LEU A 64 31.127 2.041 2.278 1.00 4.51 C ATOM 533 O LEU A 64 31.350 1.007 2.909 1.00 5.21 O ATOM 534 CB LEU A 64 28.660 2.149 2.230 1.00 4.51 C ATOM 535 CG LEU A 64 28.626 3.243 3.308 1.00 11.02 C ATOM 536 CD1 LEU A 64 28.412 4.594 2.645 1.00 9.26 C ATOM 537 CD2 LEU A 64 27.511 2.963 4.307 1.00 13.20 C ATOM 538 N LEU A 65 31.913 3.113 2.332 1.00 3.06 N ATOM 539 CA LEU A 65 33.057 3.170 3.228 1.00 3.25 C ATOM 540 C LEU A 65 32.642 4.203 4.269 1.00 4.06 C ATOM 541 O LEU A 65 32.461 5.384 3.955 1.00 7.34 O ATOM 542 CB LEU A 65 34.326 3.629 2.508 1.00 8.39 C ATOM 543 CG LEU A 65 35.561 3.626 3.420 1.00 5.46 C ATOM 544 CD1 LEU A 65 35.807 2.214 3.939 1.00 6.67 C ATOM 545 CD2 LEU A 65 36.778 4.133 2.657 1.00 8.20 C ATOM 546 N TYR A 66 32.489 3.742 5.503 1.00 3.55 N ATOM 547 CA TYR A 66 32.044 4.578 6.615 1.00 3.71 C ATOM 548 C TYR A 66 33.165 4.597 7.643 1.00 2.41 C ATOM 549 O TYR A 66 33.427 3.588 8.296 1.00 5.85 O ATOM 550 CB TYR A 66 30.781 3.938 7.200 1.00 4.04 C ATOM 551 CG TYR A 66 29.983 4.753 8.190 1.00 3.95 C ATOM 552 CD1 TYR A 66 29.311 5.914 7.802 1.00 5.30 C ATOM 553 CD2 TYR A 66 29.833 4.314 9.507 1.00 7.69 C ATOM 554 CE1 TYR A 66 28.497 6.613 8.705 1.00 6.56 C ATOM 555 CE2 TYR A 66 29.029 5.001 10.414 1.00 4.88 C ATOM 556 CZ TYR A 66 28.363 6.146 10.010 1.00 6.19 C ATOM 557 OH TYR A 66 27.563 6.812 10.914 1.00 7.58 O ATOM 558 N TYR A 67 33.831 5.738 7.788 1.00 6.72 N ATOM 559 CA TYR A 67 34.936 5.823 8.734 1.00 6.34 C ATOM 560 C TYR A 67 35.095 7.183 9.396 1.00 4.91 C ATOM 561 O TYR A 67 34.552 8.188 8.933 1.00 5.53 O ATOM 562 CB TYR A 67 36.253 5.441 8.049 1.00 4.20 C ATOM 563 CG TYR A 67 36.729 6.411 6.985 1.00 12.76 C ATOM 564 CD1 TYR A 67 36.098 6.486 5.745 1.00 15.27 C ATOM 565 CD2 TYR A 67 37.829 7.236 7.215 1.00 19.75 C ATOM 566 CE1 TYR A 67 36.554 7.356 4.755 1.00 22.04 C ATOM 567 CE2 TYR A 67 38.294 8.109 6.235 1.00 23.93 C ATOM 568 CZ TYR A 67 37.652 8.163 5.007 1.00 26.37 C ATOM 569 OH TYR A 67 38.111 9.019 4.034 1.00 37.65 O ATOM 570 N THR A 68 35.857 7.202 10.483 1.00 9.12 N ATOM 571 CA THR A 68 36.097 8.436 11.217 1.00 8.04 C ATOM 572 C THR A 68 37.293 8.231 12.141 1.00 8.22 C ATOM 573 O THR A 68 37.622 7.101 12.503 1.00 7.00 O ATOM 574 CB THR A 68 34.849 8.830 12.046 1.00 8.78 C ATOM 575 OG1 THR A 68 34.943 10.206 12.435 1.00 11.70 O ATOM 576 CG2 THR A 68 34.735 7.963 13.293 1.00 12.99 C ATOM 577 N GLU A 69 37.954 9.319 12.513 1.00 9.37 N ATOM 578 CA GLU A 69 39.107 9.212 13.398 1.00 5.46 C ATOM 579 C GLU A 69 38.702 8.777 14.803 1.00 7.38 C ATOM 580 O GLU A 69 37.624 9.126 15.289 1.00 9.98 O ATOM 581 CB GLU A 69 39.849 10.550 13.458 1.00 15.44 C ATOM 582 CG GLU A 69 41.022 10.556 14.420 1.00 13.15 C ATOM 583 CD GLU A 69 41.934 11.750 14.218 1.00 33.77 C ATOM 584 OE1 GLU A 69 41.417 12.867 14.015 1.00 24.19 O ATOM 585 OE2 GLU A 69 43.168 11.571 14.270 1.00 31.67 O ATOM 586 N PHE A 70 39.564 7.997 15.447 1.00 11.87 N ATOM 587 CA PHE A 70 39.300 7.533 16.802 1.00 11.80 C ATOM 588 C PHE A 70 40.604 7.244 17.539 1.00 11.59 C ATOM 589 O PHE A 70 41.674 7.211 16.933 1.00 10.86 O ATOM 590 CB PHE A 70 38.384 6.291 16.776 1.00 14.57 C ATOM 591 CG PHE A 70 39.082 4.990 16.438 1.00 5.27 C ATOM 592 CD1 PHE A 70 40.043 4.921 15.431 1.00 5.75 C ATOM 593 CD2 PHE A 70 38.730 3.817 17.103 1.00 6.50 C ATOM 594 CE1 PHE A 70 40.641 3.696 15.093 1.00 4.61 C ATOM 595 CE2 PHE A 70 39.319 2.590 16.773 1.00 7.89 C ATOM 596 CZ PHE A 70 40.276 2.530 15.767 1.00 7.33 C ATOM 597 N THR A 71 40.513 7.068 18.852 1.00 13.45 N ATOM 598 CA THR A 71 41.687 6.777 19.669 1.00 11.87 C ATOM 599 C THR A 71 41.351 5.581 20.549 1.00 13.46 C ATOM 600 O THR A 71 40.923 5.739 21.692 1.00 17.90 O ATOM 601 CB THR A 71 42.056 7.977 20.563 1.00 18.64 C ATOM 602 OG1 THR A 71 42.242 9.141 19.748 1.00 21.59 O ATOM 603 CG2 THR A 71 43.342 7.693 21.327 1.00 25.38 C ATOM 604 N PRO A 72 41.544 4.363 20.023 1.00 12.19 N ATOM 605 CA PRO A 72 41.255 3.130 20.755 1.00 12.94 C ATOM 606 C PRO A 72 42.208 2.816 21.902 1.00 20.09 C ATOM 607 O PRO A 72 43.391 3.158 21.861 1.00 19.67 O ATOM 608 CB PRO A 72 41.314 2.069 19.662 1.00 12.20 C ATOM 609 CG PRO A 72 42.415 2.578 18.790 1.00 13.35 C ATOM 610 CD PRO A 72 42.084 4.060 18.683 1.00 18.66 C ATOM 611 N THR A 73 41.666 2.170 22.927 1.00 21.27 N ATOM 612 CA THR A 73 42.434 1.750 24.093 1.00 27.62 C ATOM 613 C THR A 73 42.148 0.262 24.241 1.00 38.26 C ATOM 614 O THR A 73 41.091 -0.210 23.823 1.00 28.33 O ATOM 615 CB THR A 73 41.983 2.473 25.379 1.00 20.73 C ATOM 616 OG1 THR A 73 40.606 2.175 25.639 1.00 31.75 O ATOM 617 CG2 THR A 73 42.160 3.974 25.238 1.00 26.86 C ATOM 618 N GLU A 74 43.082 -0.473 24.831 1.00 34.10 N ATOM 619 CA GLU A 74 42.922 -1.912 25.011 1.00 45.54 C ATOM 620 C GLU A 74 41.686 -2.298 25.823 1.00 45.08 C ATOM 621 O GLU A 74 41.373 -3.482 25.952 1.00 57.55 O ATOM 622 CB GLU A 74 44.171 -2.500 25.677 1.00 43.01 C ATOM 623 CG GLU A 74 44.426 -2.007 27.098 1.00 49.19 C ATOM 624 CD GLU A 74 44.703 -0.516 27.167 1.00 49.95 C ATOM 625 OE1 GLU A 74 45.670 -0.059 26.520 1.00 63.53 O ATOM 626 OE2 GLU A 74 43.955 0.198 27.869 1.00 60.78 O ATOM 627 N LYS A 75 40.982 -1.307 26.362 1.00 30.90 N ATOM 628 CA LYS A 75 39.795 -1.574 27.172 1.00 30.29 C ATOM 629 C LYS A 75 38.474 -1.352 26.435 1.00 50.19 C ATOM 630 O LYS A 75 37.436 -1.870 26.850 1.00 39.37 O ATOM 631 CB LYS A 75 39.814 -0.708 28.435 1.00 47.27 C ATOM 632 CG LYS A 75 39.728 0.787 28.165 1.00 47.62 C ATOM 633 CD LYS A 75 39.702 1.585 29.459 1.00 51.59 C ATOM 634 CE LYS A 75 39.617 3.079 29.186 1.00 41.70 C ATOM 635 NZ LYS A 75 39.588 3.874 30.446 1.00 54.12 N ATOM 636 N ASP A 76 38.507 -0.581 25.353 1.00 19.66 N ATOM 637 CA ASP A 76 37.292 -0.309 24.590 1.00 21.26 C ATOM 638 C ASP A 76 37.075 -1.305 23.461 1.00 18.77 C ATOM 639 O ASP A 76 38.027 -1.836 22.889 1.00 28.57 O ATOM 640 CB ASP A 76 37.323 1.109 24.015 1.00 23.25 C ATOM 641 CG ASP A 76 37.270 2.177 25.091 1.00 24.64 C ATOM 642 OD1 ASP A 76 36.329 2.148 25.911 1.00 38.03 O ATOM 643 OD2 ASP A 76 38.166 3.046 25.117 1.00 36.63 O ATOM 644 N GLU A 77 35.809 -1.554 23.147 1.00 22.34 N ATOM 645 CA GLU A 77 35.452 -2.480 22.080 1.00 17.52 C ATOM 646 C GLU A 77 34.765 -1.695 20.969 1.00 13.60 C ATOM 647 O GLU A 77 33.863 -0.901 21.230 1.00 18.56 O ATOM 648 CB GLU A 77 34.505 -3.562 22.608 1.00 24.73 C ATOM 649 CG GLU A 77 33.188 -3.025 23.146 1.00 41.37 C ATOM 650 CD GLU A 77 32.224 -4.124 23.551 1.00 67.90 C ATOM 651 OE1 GLU A 77 31.860 -4.948 22.684 1.00 63.37 O ATOM 652 OE2 GLU A 77 31.828 -4.163 24.736 1.00 59.31 O ATOM 653 N TYR A 78 35.202 -1.911 19.734 1.00 13.98 N ATOM 654 CA TYR A 78 34.611 -1.212 18.601 1.00 14.03 C ATOM 655 C TYR A 78 33.980 -2.187 17.626 1.00 15.79 C ATOM 656 O TYR A 78 34.438 -3.320 17.481 1.00 11.27 O ATOM 657 CB TYR A 78 35.665 -0.366 17.888 1.00 10.14 C ATOM 658 CG TYR A 78 36.156 0.787 18.729 1.00 12.31 C ATOM 659 CD1 TYR A 78 37.192 0.618 19.647 1.00 15.50 C ATOM 660 CD2 TYR A 78 35.561 2.043 18.628 1.00 9.82 C ATOM 661 CE1 TYR A 78 37.625 1.677 20.443 1.00 12.39 C ATOM 662 CE2 TYR A 78 35.985 3.106 19.419 1.00 13.95 C ATOM 663 CZ TYR A 78 37.017 2.916 20.323 1.00 16.61 C ATOM 664 OH TYR A 78 37.437 3.968 21.102 1.00 19.97 O ATOM 665 N ALA A 79 32.924 -1.742 16.956 1.00 10.38 N ATOM 666 CA ALA A 79 32.236 -2.595 16.005 1.00 5.71 C ATOM 667 C ALA A 79 31.440 -1.783 15.000 1.00 9.11 C ATOM 668 O ALA A 79 31.340 -0.560 15.105 1.00 7.95 O ATOM 669 CB ALA A 79 31.306 -3.542 16.748 1.00 10.11 C ATOM 670 N CYS A 80 30.881 -2.481 14.020 1.00 3.01 N ATOM 671 CA CYS A 80 30.056 -1.850 13.002 1.00 2.94 C ATOM 672 C CYS A 80 28.720 -2.581 12.994 1.00 6.16 C ATOM 673 O CYS A 80 28.680 -3.811 12.967 1.00 6.81 O ATOM 674 CB CYS A 80 30.702 -1.966 11.623 1.00 2.30 C ATOM 675 SG CYS A 80 29.805 -1.039 10.340 1.00 9.99 S ATOM 676 N ARG A 81 27.633 -1.819 13.035 1.00 3.33 N ATOM 677 CA ARG A 81 26.292 -2.393 13.027 1.00 6.35 C ATOM 678 C ARG A 81 25.601 -2.023 11.725 1.00 11.37 C ATOM 679 O ARG A 81 25.519 -0.847 11.362 1.00 6.60 O ATOM 680 CB ARG A 81 25.477 -1.866 14.200 1.00 2.81 C ATOM 681 CG ARG A 81 24.107 -2.512 14.331 1.00 9.85 C ATOM 682 CD ARG A 81 23.419 -2.022 15.592 1.00 12.92 C ATOM 683 NE ARG A 81 23.234 -0.576 15.554 1.00 21.28 N ATOM 684 CZ ARG A 81 23.074 0.187 16.629 1.00 33.72 C ATOM 685 NH1 ARG A 81 23.078 -0.359 17.838 1.00 17.37 N ATOM 686 NH2 ARG A 81 22.913 1.496 16.493 1.00 14.03 N ATOM 687 N VAL A 82 25.092 -3.034 11.036 1.00 3.59 N ATOM 688 CA VAL A 82 24.436 -2.824 9.757 1.00 4.31 C ATOM 689 C VAL A 82 23.026 -3.392 9.720 1.00 12.60 C ATOM 690 O VAL A 82 22.788 -4.509 10.179 1.00 6.01 O ATOM 691 CB VAL A 82 25.254 -3.484 8.617 1.00 1.92 C ATOM 692 CG1 VAL A 82 24.522 -3.352 7.296 1.00 1.00 C ATOM 693 CG2 VAL A 82 26.634 -2.854 8.530 1.00 4.82 C ATOM 694 N ASN A 83 22.097 -2.604 9.182 1.00 3.06 N ATOM 695 CA ASN A 83 20.712 -3.034 9.019 1.00 1.00 C ATOM 696 C ASN A 83 20.419 -2.936 7.528 1.00 5.48 C ATOM 697 O ASN A 83 20.694 -1.912 6.900 1.00 5.43 O ATOM 698 CB ASN A 83 19.751 -2.138 9.802 1.00 9.45 C ATOM 699 CG ASN A 83 19.483 -2.655 11.201 1.00 42.89 C ATOM 700 OD1 ASN A 83 19.012 -3.777 11.379 1.00 45.58 O ATOM 701 ND2 ASN A 83 19.778 -1.836 12.201 1.00 48.44 N ATOM 702 N HIS A 84 19.878 -4.012 6.965 1.00 3.33 N ATOM 703 CA HIS A 84 19.564 -4.082 5.539 1.00 3.87 C ATOM 704 C HIS A 84 18.375 -5.029 5.406 1.00 1.75 C ATOM 705 O HIS A 84 18.128 -5.836 6.303 1.00 7.26 O ATOM 706 CB HIS A 84 20.782 -4.630 4.778 1.00 1.37 C ATOM 707 CG HIS A 84 20.676 -4.525 3.285 1.00 4.21 C ATOM 708 ND1 HIS A 84 20.393 -5.608 2.480 1.00 4.42 N ATOM 709 CD2 HIS A 84 20.835 -3.468 2.452 1.00 2.54 C ATOM 710 CE1 HIS A 84 20.382 -5.223 1.215 1.00 2.70 C ATOM 711 NE2 HIS A 84 20.648 -3.929 1.171 1.00 3.16 N ATOM 712 N VAL A 85 17.637 -4.944 4.301 1.00 5.23 N ATOM 713 CA VAL A 85 16.478 -5.815 4.138 1.00 3.12 C ATOM 714 C VAL A 85 16.842 -7.293 4.107 1.00 7.77 C ATOM 715 O VAL A 85 16.014 -8.145 4.443 1.00 5.95 O ATOM 716 CB VAL A 85 15.661 -5.467 2.866 1.00 4.75 C ATOM 717 CG1 VAL A 85 15.035 -4.093 3.021 1.00 15.15 C ATOM 718 CG2 VAL A 85 16.547 -5.518 1.633 1.00 4.93 C ATOM 719 N THR A 86 18.080 -7.594 3.726 1.00 2.64 N ATOM 720 CA THR A 86 18.546 -8.981 3.655 1.00 3.75 C ATOM 721 C THR A 86 18.923 -9.540 5.028 1.00 7.90 C ATOM 722 O THR A 86 19.169 -10.736 5.165 1.00 2.51 O ATOM 723 CB THR A 86 19.782 -9.119 2.732 1.00 7.67 C ATOM 724 OG1 THR A 86 20.832 -8.260 3.204 1.00 4.86 O ATOM 725 CG2 THR A 86 19.425 -8.742 1.291 1.00 6.02 C ATOM 726 N LEU A 87 18.972 -8.673 6.036 1.00 5.57 N ATOM 727 CA LEU A 87 19.329 -9.083 7.395 1.00 5.94 C ATOM 728 C LEU A 87 18.116 -8.985 8.314 1.00 9.44 C ATOM 729 O LEU A 87 17.663 -7.888 8.633 1.00 11.11 O ATOM 730 CB LEU A 87 20.454 -8.189 7.929 1.00 4.30 C ATOM 731 CG LEU A 87 21.739 -8.132 7.097 1.00 6.29 C ATOM 732 CD1 LEU A 87 22.634 -6.997 7.587 1.00 6.37 C ATOM 733 CD2 LEU A 87 22.459 -9.464 7.176 1.00 9.45 C ATOM 734 N SER A 88 17.595 -10.133 8.741 1.00 5.89 N ATOM 735 CA SER A 88 16.426 -10.159 9.616 1.00 5.64 C ATOM 736 C SER A 88 16.715 -9.458 10.939 1.00 10.12 C ATOM 737 O SER A 88 15.823 -8.872 11.551 1.00 12.66 O ATOM 738 CB SER A 88 15.980 -11.603 9.866 1.00 7.46 C ATOM 739 OG SER A 88 17.068 -12.416 10.262 1.00 9.86 O ATOM 740 N GLN A 89 17.967 -9.524 11.371 1.00 7.50 N ATOM 741 CA GLN A 89 18.398 -8.874 12.602 1.00 8.34 C ATOM 742 C GLN A 89 19.626 -8.051 12.233 1.00 5.65 C ATOM 743 O GLN A 89 20.384 -8.433 11.344 1.00 6.99 O ATOM 744 CB GLN A 89 18.775 -9.916 13.661 1.00 14.53 C ATOM 745 CG GLN A 89 17.632 -10.835 14.083 1.00 11.85 C ATOM 746 CD GLN A 89 16.431 -10.073 14.615 1.00 40.36 C ATOM 747 OE1 GLN A 89 16.560 -9.231 15.503 1.00 39.09 O ATOM 748 NE2 GLN A 89 15.252 -10.372 14.075 1.00 35.40 N ATOM 749 N PRO A 90 19.834 -6.903 12.897 1.00 10.49 N ATOM 750 CA PRO A 90 21.015 -6.109 12.549 1.00 7.73 C ATOM 751 C PRO A 90 22.282 -6.937 12.741 1.00 6.35 C ATOM 752 O PRO A 90 22.387 -7.721 13.687 1.00 9.51 O ATOM 753 CB PRO A 90 20.929 -4.920 13.507 1.00 15.01 C ATOM 754 CG PRO A 90 20.204 -5.489 14.694 1.00 28.25 C ATOM 755 CD PRO A 90 19.121 -6.316 14.044 1.00 16.04 C ATOM 756 N LYS A 91 23.233 -6.778 11.832 1.00 5.83 N ATOM 757 CA LYS A 91 24.476 -7.525 11.918 1.00 5.81 C ATOM 758 C LYS A 91 25.553 -6.669 12.558 1.00 9.45 C ATOM 759 O LYS A 91 25.778 -5.532 12.153 1.00 7.88 O ATOM 760 CB LYS A 91 24.930 -7.977 10.529 1.00 8.26 C ATOM 761 CG LYS A 91 26.185 -8.838 10.549 1.00 19.99 C ATOM 762 CD LYS A 91 26.545 -9.366 9.166 1.00 27.33 C ATOM 763 CE LYS A 91 25.486 -10.315 8.635 1.00 40.35 C ATOM 764 NZ LYS A 91 25.884 -10.908 7.325 1.00 47.17 N ATOM 765 N ILE A 92 26.206 -7.219 13.575 1.00 5.23 N ATOM 766 CA ILE A 92 27.266 -6.499 14.262 1.00 5.94 C ATOM 767 C ILE A 92 28.583 -7.217 14.034 1.00 10.29 C ATOM 768 O ILE A 92 28.731 -8.389 14.378 1.00 11.31 O ATOM 769 CB ILE A 92 26.996 -6.410 15.779 1.00 8.85 C ATOM 770 CG1 ILE A 92 25.673 -5.683 16.028 1.00 11.75 C ATOM 771 CG2 ILE A 92 28.142 -5.680 16.468 1.00 14.74 C ATOM 772 CD1 ILE A 92 25.236 -5.667 17.474 1.00 16.55 C ATOM 773 N VAL A 93 29.531 -6.514 13.425 1.00 8.10 N ATOM 774 CA VAL A 93 30.845 -7.076 13.158 1.00 7.44 C ATOM 775 C VAL A 93 31.826 -6.307 14.021 1.00 13.19 C ATOM 776 O VAL A 93 31.963 -5.091 13.894 1.00 6.78 O ATOM 777 CB VAL A 93 31.237 -6.923 11.673 1.00 6.34 C ATOM 778 CG1 VAL A 93 32.647 -7.449 11.446 1.00 11.20 C ATOM 779 CG2 VAL A 93 30.241 -7.679 10.795 1.00 12.33 C ATOM 780 N LYS A 94 32.498 -7.020 14.915 1.00 14.66 N ATOM 781 CA LYS A 94 33.455 -6.389 15.808 1.00 11.67 C ATOM 782 C LYS A 94 34.761 -6.048 15.109 1.00 15.84 C ATOM 783 O LYS A 94 35.133 -6.661 14.104 1.00 14.92 O ATOM 784 CB LYS A 94 33.744 -7.306 17.002 1.00 20.51 C ATOM 785 CG LYS A 94 32.535 -7.596 17.871 1.00 26.19 C ATOM 786 CD LYS A 94 32.903 -8.495 19.042 1.00 41.19 C ATOM 787 CE LYS A 94 31.704 -8.752 19.940 1.00 47.27 C ATOM 788 NZ LYS A 94 32.056 -9.604 21.110 1.00 53.10 N ATOM 789 N TRP A 95 35.446 -5.043 15.639 1.00 12.29 N ATOM 790 CA TRP A 95 36.732 -4.642 15.104 1.00 13.40 C ATOM 791 C TRP A 95 37.762 -5.496 15.825 1.00 20.26 C ATOM 792 O TRP A 95 37.769 -5.566 17.056 1.00 27.16 O ATOM 793 CB TRP A 95 37.002 -3.162 15.393 1.00 15.49 C ATOM 794 CG TRP A 95 38.421 -2.749 15.145 1.00 11.27 C ATOM 795 CD1 TRP A 95 39.126 -2.884 13.984 1.00 15.26 C ATOM 796 CD2 TRP A 95 39.310 -2.132 16.086 1.00 14.99 C ATOM 797 NE1 TRP A 95 40.399 -2.390 14.142 1.00 21.95 N ATOM 798 CE2 TRP A 95 40.539 -1.922 15.423 1.00 14.68 C ATOM 799 CE3 TRP A 95 39.186 -1.735 17.425 1.00 20.80 C ATOM 800 CZ2 TRP A 95 41.640 -1.332 16.053 1.00 17.71 C ATOM 801 CZ3 TRP A 95 40.283 -1.147 18.053 1.00 20.40 C ATOM 802 CH2 TRP A 95 41.493 -0.953 17.364 1.00 12.57 C ATOM 803 N ASP A 96 38.614 -6.161 15.056 1.00 19.31 N ATOM 804 CA ASP A 96 39.659 -6.994 15.633 1.00 38.22 C ATOM 805 C ASP A 96 40.954 -6.186 15.715 1.00 41.70 C ATOM 806 O ASP A 96 41.881 -6.473 14.927 1.00 61.54 O ATOM 807 CB ASP A 96 39.880 -8.243 14.780 1.00 35.17 C ATOM 808 CG ASP A 96 40.806 -9.240 15.444 1.00 45.90 C ATOM 809 OD1 ASP A 96 41.919 -8.840 15.843 1.00 33.75 O ATOM 810 OD2 ASP A 96 40.421 -10.422 15.568 1.00 45.64 O TER 811 ASP A 96 HETATM 812 NA NA A 100 16.750 -5.880 8.209 1.00 15.25 Na HETATM 813 O HOH A 101 27.570 5.718 13.490 1.00 8.12 O HETATM 814 O HOH A 102 32.347 3.959 -1.793 1.00 10.51 O HETATM 815 O HOH A 103 42.468 0.333 3.154 1.00 11.57 O HETATM 816 O HOH A 104 17.601 -2.451 2.829 1.00 8.71 O HETATM 817 O HOH A 105 33.179 -5.549 2.885 1.00 6.83 O HETATM 818 O HOH A 106 14.609 -6.255 -1.884 1.00 10.37 O HETATM 819 O HOH A 107 23.081 0.472 12.523 1.00 12.98 O HETATM 820 O HOH A 108 21.490 -12.319 4.822 1.00 11.69 O HETATM 821 O HOH A 109 21.395 4.660 13.135 1.00 20.47 O HETATM 822 O HOH A 110 25.401 -9.832 14.751 1.00 15.91 O HETATM 823 O HOH A 111 39.991 1.644 3.370 1.00 13.53 O HETATM 824 O HOH A 112 19.068 -12.332 7.479 1.00 14.01 O HETATM 825 O HOH A 113 40.222 3.908 4.778 1.00 15.93 O HETATM 826 O HOH A 114 36.048 -7.258 9.945 1.00 14.12 O HETATM 827 O HOH A 115 35.826 11.006 14.744 1.00 18.68 O HETATM 828 O HOH A 116 31.011 -1.745 20.387 1.00 18.41 O HETATM 829 O HOH A 117 43.587 9.292 16.111 1.00 10.88 O HETATM 830 O HOH A 118 30.334 -10.080 6.018 1.00 16.94 O HETATM 831 O HOH A 119 28.883 1.572 27.253 1.00 29.66 O HETATM 832 O HOH A 120 33.766 10.336 16.272 1.00 16.67 O HETATM 833 O HOH A 121 50.955 5.653 14.539 1.00 17.03 O HETATM 834 O HOH A 122 26.881 0.787 -13.651 1.00 20.86 O HETATM 835 O HOH A 123 15.888 -3.791 7.376 1.00 11.91 O HETATM 836 O HOH A 124 19.819 -0.406 -8.460 1.00 10.92 O HETATM 837 O HOH A 125 37.751 6.451 20.183 1.00 16.41 O HETATM 838 O HOH A 126 34.269 2.202 -1.178 1.00 20.31 O HETATM 839 O HOH A 127 19.996 -14.562 4.862 1.00 8.01 O HETATM 840 O HOH A 128 31.157 10.896 -0.579 1.00 25.57 O HETATM 841 O HOH A 129 14.565 -0.222 -1.948 1.00 18.80 O HETATM 842 O HOH A 130 36.470 -3.957 -3.050 1.00 29.72 O HETATM 843 O HOH A 131 19.538 -12.500 11.216 1.00 32.11 O HETATM 844 O HOH A 132 32.004 7.777 -3.502 1.00 16.84 O HETATM 845 O HOH A 133 29.484 10.108 -3.934 1.00 22.54 O HETATM 846 O HOH A 134 16.375 -5.097 -7.770 1.00 17.93 O HETATM 847 O HOH A 135 45.422 5.168 17.896 1.00 16.14 O HETATM 848 O HOH A 136 32.649 -10.068 14.698 1.00 19.22 O HETATM 849 O HOH A 137 29.286 -9.516 16.775 1.00 35.36 O HETATM 850 O HOH A 138 15.083 -7.279 7.213 1.00 16.86 O HETATM 851 O HOH A 139 22.162 -10.383 11.088 1.00 22.87 O HETATM 852 O HOH A 140 28.815 9.376 -0.939 1.00 24.32 O HETATM 853 O HOH A 141 15.320 -6.331 10.480 1.00 26.51 O HETATM 854 O HOH A 142 36.311 -6.684 0.169 1.00 26.80 O HETATM 855 O HOH A 143 14.799 -6.990 13.091 1.00 33.24 O HETATM 856 O HOH A 144 50.529 3.062 15.371 1.00 28.25 O HETATM 857 O HOH A 145 35.191 6.733 19.243 1.00 20.64 O HETATM 858 O HOH A 146 23.225 -2.888 18.867 1.00 25.34 O HETATM 859 O HOH A 147 22.940 -10.590 13.837 1.00 28.02 O HETATM 860 O HOH A 148 35.179 8.202 17.073 1.00 27.22 O HETATM 861 O HOH A 149 37.316 -3.828 19.446 1.00 15.87 O HETATM 862 O HOH A 150 17.370 0.139 9.238 1.00 20.64 O HETATM 863 O HOH A 151 15.745 -5.280 -4.415 1.00 20.45 O HETATM 864 O HOH A 152 21.603 -12.254 9.269 1.00 39.10 O HETATM 865 O HOH A 153 31.512 -5.149 -9.681 1.00 21.30 O HETATM 866 O HOH A 154 23.353 -12.930 6.767 1.00 16.78 O HETATM 867 O HOH A 155 38.981 4.672 23.177 1.00 31.98 O HETATM 868 O HOH A 156 30.741 4.766 24.022 1.00 25.76 O HETATM 869 O HOH A 157 47.348 0.711 15.003 1.00 31.26 O HETATM 870 O HOH A 158 40.859 5.556 6.768 1.00 26.22 O HETATM 871 O HOH A 159 24.920 -6.644 -5.622 1.00 28.49 O HETATM 872 O HOH A 160 42.689 -3.341 11.282 1.00 13.20 O HETATM 873 O HOH A 161 43.450 -4.282 8.872 1.00 16.03 O HETATM 874 O HOH A 162 41.366 -5.599 12.248 1.00 28.32 O HETATM 875 O HOH A 163 37.539 11.948 11.093 1.00 16.78 O HETATM 876 O HOH A 164 30.470 11.076 18.503 1.00 24.84 O HETATM 877 O HOH A 165 38.656 -6.463 7.908 1.00 24.11 O HETATM 878 O HOH A 166 22.859 7.860 18.955 1.00 27.98 O HETATM 879 O HOH A 167 19.483 -1.627 15.208 1.00 19.63 O HETATM 880 O HOH A 168 34.233 -9.382 8.181 1.00 21.53 O HETATM 881 O HOH A 169 28.970 9.577 20.204 1.00 24.25 O HETATM 882 O HOH A 170 25.090 -2.159 -14.529 1.00 20.05 O HETATM 883 O HOH A 171 53.044 11.300 9.946 1.00 28.11 O HETATM 884 O HOH A 172 23.760 0.694 20.314 1.00 23.87 O HETATM 885 O HOH A 173 36.689 3.227 -0.745 1.00 25.94 O HETATM 886 O HOH A 174 13.143 -5.401 -10.333 1.00 26.51 O HETATM 887 O HOH A 175 25.428 -8.920 5.666 1.00 22.87 O HETATM 888 O HOH A 176 37.854 0.125 0.233 0.50 18.09 O HETATM 889 O HOH A 177 51.471 12.069 12.709 1.00 32.91 O HETATM 890 O HOH A 178 38.418 -6.752 12.554 1.00 25.99 O HETATM 891 O HOH A 179 15.106 -1.805 0.979 1.00 15.92 O HETATM 892 O HOH A 180 13.640 -4.196 -0.586 1.00 21.29 O HETATM 893 O HOH A 181 31.574 11.766 3.560 1.00 27.86 O HETATM 894 O HOH A 182 18.112 -0.216 6.606 1.00 29.48 O HETATM 895 O HOH A 183 45.311 1.241 12.154 1.00 17.03 O HETATM 896 O HOH A 184 27.210 7.357 23.936 1.00 29.09 O HETATM 897 O HOH A 185 15.746 -4.442 12.629 1.00 28.14 O HETATM 898 O HOH A 186 44.818 0.360 15.680 1.00 20.79 O HETATM 899 O HOH A 187 45.295 8.001 17.691 1.00 36.02 O HETATM 900 O HOH A 188 12.926 3.195 0.724 1.00 24.33 O HETATM 901 O HOH A 189 16.405 -1.555 5.134 1.00 29.40 O HETATM 902 O HOH A 190 37.111 9.954 18.786 1.00 34.22 O HETATM 903 O HOH A 191 34.359 11.528 2.727 1.00 40.57 O HETATM 904 O HOH A 192 42.172 -5.220 6.490 1.00 21.00 O HETATM 905 O HOH A 193 32.443 4.036 26.249 1.00 42.07 O HETATM 906 O HOH A 194 28.949 -10.732 12.970 1.00 34.78 O HETATM 907 O HOH A 195 21.600 -4.764 17.572 1.00 35.35 O HETATM 908 O HOH A 196 15.985 -7.726 -11.734 1.00 21.50 O HETATM 909 O HOH A 197 26.970 -1.815 25.673 1.00 32.86 O HETATM 910 O HOH A 198 22.124 -7.793 16.334 1.00 25.24 O HETATM 911 O HOH A 199 25.284 6.901 21.278 1.00 27.03 O HETATM 912 O HOH A 200 26.957 3.158 28.081 1.00 29.22 O HETATM 913 O HOH A 201 28.369 11.465 2.295 1.00 35.05 O HETATM 914 O HOH A 202 31.934 -6.634 -5.393 1.00 27.66 O HETATM 915 O HOH A 203 18.470 -5.133 9.301 1.00 17.27 O CONECT 211 675 210 CONECT 675 211 674 CONECT 705 704 812 CONECT 729 728 812 CONECT 803 804 791 CONECT 804 803 807 805 CONECT 805 804 806 CONECT 806 805 CONECT 807 804 808 CONECT 808 807 809 810 CONECT 809 808 CONECT 810 808 CONECT 812 705 835 850 729 CONECT 812 853 915 CONECT 835 812 CONECT 850 812 CONECT 853 812 CONECT 915 812 END If you find results from this site helpful for your research, please cite one of our papers:
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