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*** IMMUNE SYSTEM 09-APR-02 1LDS ***elNémo ID: 2604171651193055328Job options:ID = 2604171651193055328 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 CYS 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 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 NA NA A 100 O HOH A 203 1555 1555 2.17 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 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 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 CYS A 10 38.053 -2.435 10.159 1.00 5.14 N ATOM 85 CA CYS A 10 39.499 -2.369 10.334 1.00 6.13 C ATOM 86 C CYS A 10 39.923 -0.945 10.651 1.00 4.18 C ATOM 87 O CYS A 10 39.119 -0.019 10.580 1.00 4.17 O ATOM 88 CB CYS A 10 40.197 -2.816 9.057 1.00 15.25 C ATOM 89 SG CYS A 10 39.907 -1.785 7.599 1.00 15.25 S ATOM 90 N SER A 11 41.191 -0.775 11.007 1.00 7.39 N ATOM 91 CA SER A 11 41.710 0.548 11.319 1.00 9.46 C ATOM 92 C SER A 11 42.847 0.886 10.356 1.00 9.77 C ATOM 93 O SER A 11 43.539 -0.007 9.861 1.00 6.83 O ATOM 94 CB SER A 11 42.206 0.598 12.769 1.00 7.59 C ATOM 95 OG SER A 11 43.264 -0.317 12.976 1.00 8.88 O ATOM 96 N ARG A 12 43.023 2.176 10.085 1.00 4.95 N ATOM 97 CA ARG A 12 44.072 2.645 9.183 1.00 6.18 C ATOM 98 C ARG A 12 44.652 3.979 9.646 1.00 6.07 C ATOM 99 O ARG A 12 43.930 4.838 10.150 1.00 6.60 O ATOM 100 CB ARG A 12 43.513 2.826 7.767 1.00 5.71 C ATOM 101 CG ARG A 12 43.024 1.551 7.100 1.00 4.47 C ATOM 102 CD ARG A 12 44.174 0.731 6.543 1.00 6.11 C ATOM 103 NE ARG A 12 43.696 -0.424 5.787 1.00 8.26 N ATOM 104 CZ ARG A 12 43.437 -1.620 6.310 1.00 9.54 C ATOM 105 NH1 ARG A 12 43.610 -1.841 7.607 1.00 8.16 N ATOM 106 NH2 ARG A 12 43.002 -2.599 5.528 1.00 11.79 N ATOM 107 N HIS A 13 45.958 4.136 9.454 1.00 4.04 N ATOM 108 CA HIS A 13 46.677 5.359 9.801 1.00 6.70 C ATOM 109 C HIS A 13 47.051 6.033 8.483 1.00 5.07 C ATOM 110 O HIS A 13 47.717 5.425 7.647 1.00 7.55 O ATOM 111 CB HIS A 13 47.987 5.041 10.533 1.00 2.75 C ATOM 112 CG HIS A 13 47.809 4.340 11.842 1.00 6.07 C ATOM 113 ND1 HIS A 13 47.484 5.005 13.005 1.00 12.03 N ATOM 114 CD2 HIS A 13 47.945 3.036 12.180 1.00 10.08 C ATOM 115 CE1 HIS A 13 47.432 4.142 14.003 1.00 11.54 C ATOM 116 NE2 HIS A 13 47.707 2.940 13.529 1.00 7.25 N ATOM 117 N PRO A 14 46.616 7.285 8.266 1.00 5.98 N ATOM 118 CA PRO A 14 46.989 7.932 7.003 1.00 12.71 C ATOM 119 C PRO A 14 48.507 8.111 7.000 1.00 11.60 C ATOM 120 O PRO A 14 49.076 8.608 7.969 1.00 13.01 O ATOM 121 CB PRO A 14 46.230 9.258 7.056 1.00 12.82 C ATOM 122 CG PRO A 14 46.136 9.538 8.523 1.00 12.78 C ATOM 123 CD PRO A 14 45.800 8.182 9.101 1.00 11.54 C ATOM 124 N ALA A 15 49.160 7.695 5.918 1.00 5.64 N ATOM 125 CA ALA A 15 50.612 7.782 5.826 1.00 5.70 C ATOM 126 C ALA A 15 51.166 9.190 6.026 1.00 7.90 C ATOM 127 O ALA A 15 52.269 9.351 6.539 1.00 7.39 O ATOM 128 CB ALA A 15 51.084 7.227 4.487 1.00 12.69 C ATOM 129 N GLU A 16 50.403 10.201 5.620 1.00 12.94 N ATOM 130 CA GLU A 16 50.842 11.589 5.761 1.00 14.01 C ATOM 131 C GLU A 16 50.694 12.107 7.191 1.00 23.94 C ATOM 132 O GLU A 16 51.208 13.174 7.530 1.00 21.36 O ATOM 133 CB GLU A 16 50.053 12.493 4.808 1.00 19.19 C ATOM 134 CG GLU A 16 50.334 12.236 3.334 1.00 30.03 C ATOM 135 CD GLU A 16 49.565 13.172 2.418 1.00 58.54 C ATOM 136 OE1 GLU A 16 49.778 13.111 1.188 1.00 59.53 O ATOM 137 OE2 GLU A 16 48.748 13.968 2.926 1.00 62.60 O ATOM 138 N ASN A 17 49.993 11.347 8.026 1.00 15.27 N ATOM 139 CA ASN A 17 49.772 11.728 9.418 1.00 18.99 C ATOM 140 C ASN A 17 49.632 10.450 10.243 1.00 12.16 C ATOM 141 O ASN A 17 48.553 10.133 10.743 1.00 15.09 O ATOM 142 CB ASN A 17 48.501 12.572 9.524 1.00 19.27 C ATOM 143 CG ASN A 17 48.343 13.228 10.881 1.00 38.87 C ATOM 144 OD1 ASN A 17 47.361 13.927 11.132 1.00 35.08 O ATOM 145 ND2 ASN A 17 49.310 13.009 11.764 1.00 35.04 N ATOM 146 N GLY A 18 50.742 9.730 10.375 1.00 12.96 N ATOM 147 CA GLY A 18 50.767 8.468 11.097 1.00 10.52 C ATOM 148 C GLY A 18 50.160 8.392 12.484 1.00 21.05 C ATOM 149 O GLY A 18 49.694 7.325 12.889 1.00 12.95 O ATOM 150 N LYS A 19 50.167 9.499 13.221 1.00 12.38 N ATOM 151 CA LYS A 19 49.608 9.504 14.571 1.00 19.16 C ATOM 152 C LYS A 19 48.097 9.315 14.553 1.00 20.22 C ATOM 153 O LYS A 19 47.524 8.747 15.483 1.00 22.51 O ATOM 154 CB LYS A 19 49.950 10.812 15.291 1.00 16.70 C ATOM 155 CG LYS A 19 51.433 11.009 15.556 1.00 31.22 C ATOM 156 CD LYS A 19 51.684 12.324 16.282 1.00 59.25 C ATOM 157 CE LYS A 19 53.162 12.530 16.572 1.00 64.99 C ATOM 158 NZ LYS A 19 53.413 13.814 17.285 1.00 63.32 N ATOM 159 N SER A 20 47.454 9.796 13.493 1.00 11.40 N ATOM 160 CA SER A 20 46.008 9.672 13.359 1.00 6.65 C ATOM 161 C SER A 20 45.618 8.230 13.051 1.00 10.43 C ATOM 162 O SER A 20 46.307 7.539 12.302 1.00 11.75 O ATOM 163 CB SER A 20 45.496 10.588 12.245 1.00 15.33 C ATOM 164 OG SER A 20 45.703 11.948 12.577 1.00 36.09 O ATOM 165 N ASN A 21 44.508 7.792 13.634 1.00 8.97 N ATOM 166 CA ASN A 21 44.007 6.435 13.441 1.00 8.00 C ATOM 167 C ASN A 21 42.528 6.542 13.082 1.00 8.67 C ATOM 168 O ASN A 21 41.788 7.306 13.702 1.00 7.57 O ATOM 169 CB ASN A 21 44.178 5.638 14.736 1.00 10.57 C ATOM 170 CG ASN A 21 44.167 4.139 14.511 1.00 13.49 C ATOM 171 OD1 ASN A 21 43.973 3.660 13.391 1.00 8.43 O ATOM 172 ND2 ASN A 21 44.379 3.388 15.585 1.00 9.04 N ATOM 173 N PHE A 22 42.101 5.783 12.078 1.00 6.04 N ATOM 174 CA PHE A 22 40.711 5.815 11.643 1.00 7.04 C ATOM 175 C PHE A 22 40.033 4.455 11.702 1.00 3.00 C ATOM 176 O PHE A 22 40.598 3.445 11.279 1.00 5.44 O ATOM 177 CB PHE A 22 40.612 6.355 10.212 1.00 7.91 C ATOM 178 CG PHE A 22 40.952 7.815 10.088 1.00 8.60 C ATOM 179 CD1 PHE A 22 42.255 8.261 10.290 1.00 16.28 C ATOM 180 CD2 PHE A 22 39.964 8.745 9.779 1.00 10.20 C ATOM 181 CE1 PHE A 22 42.571 9.615 10.185 1.00 19.03 C ATOM 182 CE2 PHE A 22 40.268 10.101 9.673 1.00 12.26 C ATOM 183 CZ PHE A 22 41.575 10.537 9.876 1.00 14.52 C ATOM 184 N LEU A 23 38.817 4.445 12.236 1.00 6.48 N ATOM 185 CA LEU A 23 38.024 3.226 12.335 1.00 4.75 C ATOM 186 C LEU A 23 37.188 3.167 11.063 1.00 1.86 C ATOM 187 O LEU A 23 36.453 4.108 10.754 1.00 4.54 O ATOM 188 CB LEU A 23 37.112 3.280 13.561 1.00 6.12 C ATOM 189 CG LEU A 23 36.174 2.085 13.756 1.00 4.68 C ATOM 190 CD1 LEU A 23 36.981 0.789 13.853 1.00 7.65 C ATOM 191 CD2 LEU A 23 35.346 2.305 15.015 1.00 5.62 C ATOM 192 N ASN A 24 37.298 2.053 10.344 1.00 4.19 N ATOM 193 CA ASN A 24 36.600 1.859 9.076 1.00 6.68 C ATOM 194 C ASN A 24 35.612 0.704 9.050 1.00 3.97 C ATOM 195 O ASN A 24 35.865 -0.359 9.619 1.00 5.77 O ATOM 196 CB ASN A 24 37.612 1.589 7.956 1.00 7.29 C ATOM 197 CG ASN A 24 38.534 2.758 7.692 1.00 8.10 C ATOM 198 OD1 ASN A 24 38.291 3.562 6.796 1.00 11.48 O ATOM 199 ND2 ASN A 24 39.603 2.856 8.472 1.00 9.88 N ATOM 200 N CYS A 25 34.491 0.928 8.374 1.00 4.36 N ATOM 201 CA CYS A 25 33.486 -0.105 8.179 1.00 3.54 C ATOM 202 C CYS A 25 33.217 -0.101 6.684 1.00 7.24 C ATOM 203 O CYS A 25 32.603 0.831 6.160 1.00 7.80 O ATOM 204 CB CYS A 25 32.180 0.196 8.910 1.00 3.68 C ATOM 205 SG CYS A 25 31.013 -1.193 8.719 1.00 9.03 S ATOM 206 N TYR A 26 33.699 -1.129 5.996 1.00 2.86 N ATOM 207 CA TYR A 26 33.500 -1.233 4.562 1.00 3.52 C ATOM 208 C TYR A 26 32.368 -2.210 4.308 1.00 2.81 C ATOM 209 O TYR A 26 32.488 -3.398 4.599 1.00 4.50 O ATOM 210 CB TYR A 26 34.787 -1.713 3.887 1.00 2.87 C ATOM 211 CG TYR A 26 34.710 -1.796 2.384 1.00 6.30 C ATOM 212 CD1 TYR A 26 34.150 -0.762 1.636 1.00 9.14 C ATOM 213 CD2 TYR A 26 35.235 -2.896 1.702 1.00 6.28 C ATOM 214 CE1 TYR A 26 34.115 -0.817 0.242 1.00 10.15 C ATOM 215 CE2 TYR A 26 35.206 -2.960 0.309 1.00 10.27 C ATOM 216 CZ TYR A 26 34.647 -1.918 -0.412 1.00 16.27 C ATOM 217 OH TYR A 26 34.630 -1.970 -1.787 1.00 11.35 O ATOM 218 N VAL A 27 31.263 -1.690 3.778 1.00 2.53 N ATOM 219 CA VAL A 27 30.069 -2.484 3.480 1.00 1.00 C ATOM 220 C VAL A 27 30.013 -2.590 1.960 1.00 6.29 C ATOM 221 O VAL A 27 29.782 -1.598 1.272 1.00 4.64 O ATOM 222 CB VAL A 27 28.824 -1.771 4.032 1.00 3.85 C ATOM 223 CG1 VAL A 27 27.589 -2.643 3.861 1.00 5.98 C ATOM 224 CG2 VAL A 27 29.045 -1.442 5.499 1.00 6.42 C ATOM 225 N SER A 28 30.202 -3.799 1.438 1.00 7.30 N ATOM 226 CA SER A 28 30.285 -3.969 -0.006 1.00 5.33 C ATOM 227 C SER A 28 29.359 -4.938 -0.723 1.00 6.31 C ATOM 228 O SER A 28 28.902 -5.929 -0.154 1.00 5.47 O ATOM 229 CB SER A 28 31.722 -4.352 -0.352 1.00 8.45 C ATOM 230 OG SER A 28 32.078 -5.547 0.335 1.00 7.42 O ATOM 231 N GLY A 29 29.131 -4.630 -1.999 1.00 4.91 N ATOM 232 CA GLY A 29 28.313 -5.448 -2.879 1.00 4.59 C ATOM 233 C GLY A 29 26.865 -5.674 -2.505 1.00 7.77 C ATOM 234 O GLY A 29 26.304 -6.717 -2.833 1.00 11.51 O ATOM 235 N PHE A 30 26.239 -4.705 -1.847 1.00 3.38 N ATOM 236 CA PHE A 30 24.852 -4.887 -1.442 1.00 2.53 C ATOM 237 C PHE A 30 23.818 -4.271 -2.379 1.00 10.78 C ATOM 238 O PHE A 30 24.132 -3.397 -3.186 1.00 5.84 O ATOM 239 CB PHE A 30 24.638 -4.344 -0.023 1.00 5.77 C ATOM 240 CG PHE A 30 24.920 -2.869 0.126 1.00 4.24 C ATOM 241 CD1 PHE A 30 26.220 -2.406 0.330 1.00 2.86 C ATOM 242 CD2 PHE A 30 23.880 -1.947 0.084 1.00 5.94 C ATOM 243 CE1 PHE A 30 26.474 -1.039 0.497 1.00 4.07 C ATOM 244 CE2 PHE A 30 24.122 -0.582 0.249 1.00 1.81 C ATOM 245 CZ PHE A 30 25.419 -0.129 0.456 1.00 2.57 C ATOM 246 N HIS A 31 22.585 -4.760 -2.260 1.00 4.68 N ATOM 247 CA HIS A 31 21.440 -4.282 -3.032 1.00 2.85 C ATOM 248 C HIS A 31 20.183 -4.819 -2.349 1.00 2.70 C ATOM 249 O HIS A 31 20.151 -5.977 -1.922 1.00 3.31 O ATOM 250 CB HIS A 31 21.502 -4.782 -4.483 1.00 4.13 C ATOM 251 CG HIS A 31 20.617 -4.018 -5.419 1.00 5.32 C ATOM 252 ND1 HIS A 31 19.354 -4.444 -5.773 1.00 6.01 N ATOM 253 CD2 HIS A 31 20.793 -2.821 -6.029 1.00 10.04 C ATOM 254 CE1 HIS A 31 18.791 -3.543 -6.560 1.00 16.44 C ATOM 255 NE2 HIS A 31 19.644 -2.548 -6.730 1.00 14.29 N ATOM 256 N PRO A 32 19.132 -3.987 -2.221 1.00 4.15 N ATOM 257 CA PRO A 32 19.046 -2.591 -2.672 1.00 1.07 C ATOM 258 C PRO A 32 19.985 -1.678 -1.893 1.00 4.50 C ATOM 259 O PRO A 32 20.607 -2.104 -0.926 1.00 4.79 O ATOM 260 CB PRO A 32 17.576 -2.248 -2.449 1.00 2.62 C ATOM 261 CG PRO A 32 17.224 -3.078 -1.252 1.00 11.51 C ATOM 262 CD PRO A 32 17.873 -4.405 -1.580 1.00 12.35 C ATOM 263 N SER A 33 20.070 -0.419 -2.316 1.00 5.38 N ATOM 264 CA SER A 33 20.953 0.551 -1.677 1.00 4.80 C ATOM 265 C SER A 33 20.506 1.011 -0.287 1.00 1.28 C ATOM 266 O SER A 33 21.337 1.462 0.502 1.00 5.58 O ATOM 267 CB SER A 33 21.124 1.770 -2.588 1.00 1.00 C ATOM 268 OG SER A 33 19.873 2.398 -2.796 1.00 5.72 O ATOM 269 N ASP A 34 19.209 0.918 0.011 1.00 1.00 N ATOM 270 CA ASP A 34 18.706 1.317 1.330 1.00 1.33 C ATOM 271 C ASP A 34 19.517 0.597 2.400 1.00 4.71 C ATOM 272 O ASP A 34 19.657 -0.623 2.362 1.00 3.90 O ATOM 273 CB ASP A 34 17.237 0.934 1.504 1.00 3.64 C ATOM 274 CG ASP A 34 16.322 1.680 0.564 1.00 10.10 C ATOM 275 OD1 ASP A 34 16.564 1.643 -0.660 1.00 34.23 O ATOM 276 OD2 ASP A 34 15.352 2.290 1.057 1.00 12.60 O ATOM 277 N ILE A 35 20.036 1.340 3.369 1.00 2.93 N ATOM 278 CA ILE A 35 20.833 0.703 4.405 1.00 3.48 C ATOM 279 C ILE A 35 21.054 1.647 5.583 1.00 5.41 C ATOM 280 O ILE A 35 20.914 2.858 5.453 1.00 3.79 O ATOM 281 CB ILE A 35 22.197 0.252 3.812 1.00 1.84 C ATOM 282 CG1 ILE A 35 22.831 -0.827 4.690 1.00 2.27 C ATOM 283 CG2 ILE A 35 23.133 1.452 3.663 1.00 5.07 C ATOM 284 CD1 ILE A 35 24.018 -1.518 4.029 1.00 5.70 C ATOM 285 N GLU A 36 21.363 1.073 6.739 1.00 4.67 N ATOM 286 CA GLU A 36 21.638 1.846 7.942 1.00 8.88 C ATOM 287 C GLU A 36 22.937 1.275 8.489 1.00 8.06 C ATOM 288 O GLU A 36 23.059 0.065 8.677 1.00 5.17 O ATOM 289 CB GLU A 36 20.507 1.689 8.962 1.00 2.69 C ATOM 290 CG GLU A 36 20.787 2.356 10.301 1.00 8.02 C ATOM 291 CD GLU A 36 19.594 2.310 11.233 1.00 17.36 C ATOM 292 OE1 GLU A 36 18.883 1.284 11.238 1.00 15.29 O ATOM 293 OE2 GLU A 36 19.372 3.294 11.966 1.00 14.36 O ATOM 294 N VAL A 37 23.914 2.143 8.728 1.00 3.70 N ATOM 295 CA VAL A 37 25.210 1.697 9.218 1.00 3.23 C ATOM 296 C VAL A 37 25.706 2.586 10.338 1.00 7.35 C ATOM 297 O VAL A 37 25.658 3.808 10.235 1.00 5.44 O ATOM 298 CB VAL A 37 26.262 1.712 8.090 1.00 1.00 C ATOM 299 CG1 VAL A 37 27.616 1.251 8.628 1.00 5.71 C ATOM 300 CG2 VAL A 37 25.803 0.819 6.943 1.00 4.93 C ATOM 301 N ASP A 38 26.191 1.962 11.404 1.00 4.65 N ATOM 302 CA ASP A 38 26.711 2.699 12.548 1.00 7.24 C ATOM 303 C ASP A 38 27.997 2.088 13.059 1.00 9.24 C ATOM 304 O ASP A 38 28.201 0.878 12.974 1.00 7.97 O ATOM 305 CB ASP A 38 25.707 2.695 13.704 1.00 6.08 C ATOM 306 CG ASP A 38 24.557 3.651 13.485 1.00 11.53 C ATOM 307 OD1 ASP A 38 24.806 4.872 13.410 1.00 12.77 O ATOM 308 OD2 ASP A 38 23.407 3.178 13.394 1.00 12.49 O ATOM 309 N LEU A 39 28.876 2.941 13.569 1.00 3.87 N ATOM 310 CA LEU A 39 30.106 2.470 14.179 1.00 3.85 C ATOM 311 C LEU A 39 29.710 2.491 15.649 1.00 11.34 C ATOM 312 O LEU A 39 28.949 3.363 16.067 1.00 7.55 O ATOM 313 CB LEU A 39 31.260 3.442 13.928 1.00 2.31 C ATOM 314 CG LEU A 39 31.770 3.519 12.487 1.00 9.10 C ATOM 315 CD1 LEU A 39 32.958 4.456 12.413 1.00 7.16 C ATOM 316 CD2 LEU A 39 32.174 2.130 12.023 1.00 6.21 C ATOM 317 N LEU A 40 30.201 1.528 16.421 1.00 6.03 N ATOM 318 CA LEU A 40 29.875 1.450 17.837 1.00 11.60 C ATOM 319 C LEU A 40 31.122 1.465 18.699 1.00 10.58 C ATOM 320 O LEU A 40 32.181 0.990 18.291 1.00 8.71 O ATOM 321 CB LEU A 40 29.109 0.158 18.145 1.00 7.69 C ATOM 322 CG LEU A 40 27.867 -0.211 17.330 1.00 6.51 C ATOM 323 CD1 LEU A 40 27.324 -1.540 17.829 1.00 14.34 C ATOM 324 CD2 LEU A 40 26.812 0.869 17.448 1.00 8.69 C ATOM 325 N LYS A 41 30.981 2.028 19.893 1.00 9.68 N ATOM 326 CA LYS A 41 32.059 2.065 20.869 1.00 11.38 C ATOM 327 C LYS A 41 31.414 1.542 22.142 1.00 8.80 C ATOM 328 O LYS A 41 30.535 2.192 22.712 1.00 11.20 O ATOM 329 CB LYS A 41 32.569 3.484 21.103 1.00 12.19 C ATOM 330 CG LYS A 41 33.722 3.522 22.103 1.00 14.14 C ATOM 331 CD LYS A 41 34.180 4.932 22.406 1.00 12.18 C ATOM 332 CE LYS A 41 35.291 4.914 23.444 1.00 29.29 C ATOM 333 NZ LYS A 41 35.703 6.283 23.853 1.00 25.27 N ATOM 334 N ASN A 42 31.837 0.359 22.567 1.00 11.90 N ATOM 335 CA ASN A 42 31.284 -0.268 23.759 1.00 18.03 C ATOM 336 C ASN A 42 29.760 -0.353 23.672 1.00 27.79 C ATOM 337 O ASN A 42 29.051 -0.056 24.636 1.00 27.23 O ATOM 338 CB ASN A 42 31.706 0.506 25.012 1.00 25.83 C ATOM 339 CG ASN A 42 33.214 0.577 25.168 1.00 18.31 C ATOM 340 OD1 ASN A 42 33.908 -0.431 25.044 1.00 18.76 O ATOM 341 ND2 ASN A 42 33.729 1.772 25.443 1.00 21.84 N ATOM 342 N GLY A 43 29.267 -0.751 22.501 1.00 25.21 N ATOM 343 CA GLY A 43 27.835 -0.895 22.295 1.00 23.86 C ATOM 344 C GLY A 43 27.056 0.380 22.036 1.00 20.96 C ATOM 345 O GLY A 43 25.876 0.325 21.688 1.00 25.63 O ATOM 346 N GLU A 44 27.706 1.526 22.206 1.00 13.88 N ATOM 347 CA GLU A 44 27.065 2.818 21.995 1.00 14.99 C ATOM 348 C GLU A 44 27.344 3.345 20.593 1.00 15.66 C ATOM 349 O GLU A 44 28.468 3.279 20.106 1.00 13.49 O ATOM 350 CB GLU A 44 27.574 3.834 23.023 1.00 24.96 C ATOM 351 CG GLU A 44 27.198 3.534 24.470 1.00 30.10 C ATOM 352 CD GLU A 44 25.755 3.880 24.789 1.00 46.26 C ATOM 353 OE1 GLU A 44 25.335 5.016 24.488 1.00 47.27 O ATOM 354 OE2 GLU A 44 25.042 3.023 25.352 1.00 33.08 O ATOM 355 N ARG A 45 26.312 3.879 19.953 1.00 12.45 N ATOM 356 CA ARG A 45 26.445 4.425 18.609 1.00 16.00 C ATOM 357 C ARG A 45 27.329 5.672 18.599 1.00 15.48 C ATOM 358 O ARG A 45 27.163 6.564 19.430 1.00 19.39 O ATOM 359 CB ARG A 45 25.056 4.766 18.061 1.00 12.17 C ATOM 360 CG ARG A 45 25.048 5.548 16.764 1.00 27.57 C ATOM 361 CD ARG A 45 23.619 5.746 16.274 1.00 29.67 C ATOM 362 NE ARG A 45 23.552 6.552 15.059 1.00 41.22 N ATOM 363 CZ ARG A 45 23.793 7.858 15.011 1.00 47.93 C ATOM 364 NH1 ARG A 45 24.117 8.516 16.115 1.00 48.83 N ATOM 365 NH2 ARG A 45 23.707 8.507 13.857 1.00 40.81 N ATOM 366 N ILE A 46 28.281 5.719 17.671 1.00 7.94 N ATOM 367 CA ILE A 46 29.160 6.877 17.541 1.00 8.09 C ATOM 368 C ILE A 46 28.415 7.879 16.659 1.00 14.48 C ATOM 369 O ILE A 46 28.218 7.651 15.468 1.00 10.05 O ATOM 370 CB ILE A 46 30.513 6.484 16.895 1.00 6.08 C ATOM 371 CG1 ILE A 46 31.253 5.508 17.813 1.00 10.15 C ATOM 372 CG2 ILE A 46 31.359 7.724 16.639 1.00 10.90 C ATOM 373 CD1 ILE A 46 32.554 4.971 17.241 1.00 13.79 C ATOM 374 N GLU A 47 27.990 8.985 17.262 1.00 17.83 N ATOM 375 CA GLU A 47 27.231 10.014 16.560 1.00 23.98 C ATOM 376 C GLU A 47 28.038 10.752 15.499 1.00 24.25 C ATOM 377 O GLU A 47 27.525 11.077 14.429 1.00 25.34 O ATOM 378 CB GLU A 47 26.679 11.024 17.569 1.00 33.47 C ATOM 379 CG GLU A 47 25.743 12.060 16.974 1.00 53.45 C ATOM 380 CD GLU A 47 24.440 11.456 16.490 1.00 66.19 C ATOM 381 OE1 GLU A 47 23.694 10.902 17.326 1.00 59.58 O ATOM 382 OE2 GLU A 47 24.161 11.535 15.275 1.00 65.83 O ATOM 383 N LYS A 48 29.303 11.010 15.803 1.00 13.47 N ATOM 384 CA LYS A 48 30.178 11.729 14.893 1.00 24.38 C ATOM 385 C LYS A 48 31.016 10.823 13.994 1.00 21.74 C ATOM 386 O LYS A 48 32.017 10.262 14.431 1.00 14.47 O ATOM 387 CB LYS A 48 31.106 12.640 15.702 1.00 26.34 C ATOM 388 CG LYS A 48 32.110 13.427 14.882 1.00 29.56 C ATOM 389 CD LYS A 48 33.051 14.200 15.794 1.00 33.29 C ATOM 390 CE LYS A 48 34.007 15.068 14.997 1.00 50.95 C ATOM 391 NZ LYS A 48 33.279 16.107 14.218 1.00 61.91 N ATOM 392 N VAL A 49 30.590 10.667 12.744 1.00 17.01 N ATOM 393 CA VAL A 49 31.338 9.870 11.776 1.00 10.20 C ATOM 394 C VAL A 49 31.580 10.791 10.585 1.00 15.47 C ATOM 395 O VAL A 49 30.678 11.060 9.791 1.00 15.53 O ATOM 396 CB VAL A 49 30.568 8.613 11.329 1.00 7.87 C ATOM 397 CG1 VAL A 49 31.385 7.855 10.287 1.00 7.12 C ATOM 398 CG2 VAL A 49 30.304 7.713 12.535 1.00 9.70 C ATOM 399 N GLU A 50 32.815 11.272 10.489 1.00 7.12 N ATOM 400 CA GLU A 50 33.240 12.217 9.463 1.00 13.36 C ATOM 401 C GLU A 50 33.110 11.825 7.996 1.00 19.43 C ATOM 402 O GLU A 50 32.853 12.682 7.149 1.00 16.94 O ATOM 403 CB GLU A 50 34.693 12.625 9.727 1.00 19.22 C ATOM 404 CG GLU A 50 34.909 13.405 11.013 1.00 44.63 C ATOM 405 CD GLU A 50 34.252 14.773 10.986 1.00 54.17 C ATOM 406 OE1 GLU A 50 34.423 15.532 11.962 1.00 65.17 O ATOM 407 OE2 GLU A 50 33.566 15.092 9.992 1.00 63.53 O ATOM 408 N HIS A 51 33.282 10.546 7.685 1.00 10.35 N ATOM 409 CA HIS A 51 33.224 10.119 6.291 1.00 6.92 C ATOM 410 C HIS A 51 32.238 8.997 5.987 1.00 3.60 C ATOM 411 O HIS A 51 32.171 7.998 6.698 1.00 6.88 O ATOM 412 CB HIS A 51 34.624 9.701 5.845 1.00 14.30 C ATOM 413 CG HIS A 51 35.658 10.766 6.035 1.00 21.79 C ATOM 414 ND1 HIS A 51 35.761 11.860 5.203 1.00 25.21 N ATOM 415 CD2 HIS A 51 36.616 10.920 6.979 1.00 31.85 C ATOM 416 CE1 HIS A 51 36.739 12.642 5.626 1.00 31.43 C ATOM 417 NE2 HIS A 51 37.273 12.095 6.703 1.00 29.86 N ATOM 418 N SER A 52 31.472 9.183 4.916 1.00 9.01 N ATOM 419 CA SER A 52 30.493 8.199 4.466 1.00 5.16 C ATOM 420 C SER A 52 30.500 8.296 2.942 1.00 15.14 C ATOM 421 O SER A 52 29.829 9.148 2.366 1.00 16.36 O ATOM 422 CB SER A 52 29.102 8.536 5.010 1.00 11.20 C ATOM 423 OG SER A 52 28.177 7.497 4.737 1.00 9.94 O ATOM 424 N ASP A 53 31.273 7.427 2.299 1.00 7.19 N ATOM 425 CA ASP A 53 31.393 7.439 0.843 1.00 9.62 C ATOM 426 C ASP A 53 30.648 6.285 0.184 1.00 8.88 C ATOM 427 O ASP A 53 30.994 5.120 0.385 1.00 8.55 O ATOM 428 CB ASP A 53 32.872 7.383 0.433 1.00 13.75 C ATOM 429 CG ASP A 53 33.722 8.427 1.143 1.00 23.24 C ATOM 430 OD1 ASP A 53 33.209 9.528 1.421 1.00 12.00 O ATOM 431 OD2 ASP A 53 34.910 8.151 1.410 1.00 21.97 O ATOM 432 N LEU A 54 29.638 6.620 -0.616 1.00 7.75 N ATOM 433 CA LEU A 54 28.838 5.619 -1.315 1.00 6.54 C ATOM 434 C LEU A 54 29.145 5.627 -2.809 1.00 10.68 C ATOM 435 O LEU A 54 29.351 6.683 -3.408 1.00 7.83 O ATOM 436 CB LEU A 54 27.347 5.894 -1.113 1.00 3.57 C ATOM 437 CG LEU A 54 26.373 4.906 -1.764 1.00 7.10 C ATOM 438 CD1 LEU A 54 26.383 3.595 -0.983 1.00 7.58 C ATOM 439 CD2 LEU A 54 24.974 5.497 -1.779 1.00 7.25 C ATOM 440 N SER A 55 29.171 4.438 -3.399 1.00 3.83 N ATOM 441 CA SER A 55 29.434 4.280 -4.821 1.00 3.58 C ATOM 442 C SER A 55 28.761 2.999 -5.288 1.00 1.00 C ATOM 443 O SER A 55 28.215 2.249 -4.482 1.00 1.00 O ATOM 444 CB SER A 55 30.943 4.190 -5.082 1.00 3.07 C ATOM 445 OG SER A 55 31.518 3.046 -4.467 1.00 7.96 O ATOM 446 N PHE A 56 28.780 2.772 -6.594 1.00 4.73 N ATOM 447 CA PHE A 56 28.215 1.561 -7.167 1.00 6.04 C ATOM 448 C PHE A 56 29.061 1.178 -8.374 1.00 4.14 C ATOM 449 O PHE A 56 29.697 2.034 -8.986 1.00 9.73 O ATOM 450 CB PHE A 56 26.736 1.771 -7.555 1.00 2.12 C ATOM 451 CG PHE A 56 26.507 2.815 -8.623 1.00 7.24 C ATOM 452 CD1 PHE A 56 26.610 2.490 -9.973 1.00 8.10 C ATOM 453 CD2 PHE A 56 26.157 4.117 -8.273 1.00 6.14 C ATOM 454 CE1 PHE A 56 26.364 3.451 -10.964 1.00 5.87 C ATOM 455 CE2 PHE A 56 25.910 5.085 -9.254 1.00 7.31 C ATOM 456 CZ PHE A 56 26.014 4.749 -10.598 1.00 8.06 C ATOM 457 N SER A 57 29.110 -0.113 -8.685 1.00 4.22 N ATOM 458 CA SER A 57 29.869 -0.587 -9.840 1.00 6.27 C ATOM 459 C SER A 57 28.783 -0.872 -10.866 1.00 11.84 C ATOM 460 O SER A 57 28.460 -0.018 -11.692 1.00 13.56 O ATOM 461 CB SER A 57 30.648 -1.859 -9.487 1.00 6.55 C ATOM 462 OG SER A 57 29.799 -2.846 -8.934 1.00 6.78 O ATOM 463 N LYS A 58 28.211 -2.068 -10.806 1.00 10.45 N ATOM 464 CA LYS A 58 27.104 -2.404 -11.689 1.00 17.82 C ATOM 465 C LYS A 58 25.965 -1.595 -11.071 1.00 26.11 C ATOM 466 O LYS A 58 26.059 -1.192 -9.910 1.00 10.15 O ATOM 467 CB LYS A 58 26.780 -3.898 -11.607 1.00 10.51 C ATOM 468 CG LYS A 58 27.851 -4.815 -12.171 1.00 21.44 C ATOM 469 CD LYS A 58 27.917 -4.712 -13.685 1.00 38.83 C ATOM 470 CE LYS A 58 28.885 -5.728 -14.269 1.00 46.78 C ATOM 471 NZ LYS A 58 28.902 -5.675 -15.758 1.00 39.56 N ATOM 472 N ASP A 59 24.899 -1.348 -11.826 1.00 11.95 N ATOM 473 CA ASP A 59 23.779 -0.578 -11.289 1.00 14.03 C ATOM 474 C ASP A 59 23.150 -1.226 -10.059 1.00 18.01 C ATOM 475 O ASP A 59 22.461 -0.562 -9.288 1.00 12.60 O ATOM 476 CB ASP A 59 22.702 -0.376 -12.358 1.00 16.40 C ATOM 477 CG ASP A 59 23.101 0.647 -13.403 1.00 21.20 C ATOM 478 OD1 ASP A 59 24.138 1.317 -13.220 1.00 18.03 O ATOM 479 OD2 ASP A 59 22.369 0.789 -14.404 1.00 20.81 O ATOM 480 N TRP A 60 23.397 -2.519 -9.872 1.00 9.82 N ATOM 481 CA TRP A 60 22.828 -3.247 -8.741 1.00 10.51 C ATOM 482 C TRP A 60 23.852 -3.686 -7.697 1.00 19.63 C ATOM 483 O TRP A 60 23.638 -4.672 -6.993 1.00 11.53 O ATOM 484 CB TRP A 60 22.069 -4.474 -9.251 1.00 11.13 C ATOM 485 CG TRP A 60 22.913 -5.342 -10.124 1.00 20.39 C ATOM 486 CD1 TRP A 60 23.816 -6.285 -9.718 1.00 20.27 C ATOM 487 CD2 TRP A 60 22.982 -5.309 -11.555 1.00 17.37 C ATOM 488 NE1 TRP A 60 24.443 -6.840 -10.809 1.00 23.83 N ATOM 489 CE2 TRP A 60 23.950 -6.259 -11.948 1.00 20.24 C ATOM 490 CE3 TRP A 60 22.319 -4.568 -12.543 1.00 35.60 C ATOM 491 CZ2 TRP A 60 24.274 -6.489 -13.292 1.00 34.58 C ATOM 492 CZ3 TRP A 60 22.642 -4.796 -13.881 1.00 24.62 C ATOM 493 CH2 TRP A 60 23.611 -5.750 -14.240 1.00 25.63 C ATOM 494 N SER A 61 24.962 -2.964 -7.595 1.00 8.13 N ATOM 495 CA SER A 61 25.981 -3.311 -6.608 1.00 4.93 C ATOM 496 C SER A 61 26.527 -2.046 -5.958 1.00 7.18 C ATOM 497 O SER A 61 27.233 -1.264 -6.599 1.00 5.07 O ATOM 498 CB SER A 61 27.113 -4.098 -7.268 1.00 11.51 C ATOM 499 OG SER A 61 28.052 -4.538 -6.301 1.00 12.98 O ATOM 500 N PHE A 62 26.191 -1.850 -4.686 1.00 2.19 N ATOM 501 CA PHE A 62 26.625 -0.666 -3.949 1.00 1.00 C ATOM 502 C PHE A 62 27.747 -0.940 -2.961 1.00 11.73 C ATOM 503 O PHE A 62 27.904 -2.060 -2.466 1.00 2.80 O ATOM 504 CB PHE A 62 25.432 -0.040 -3.216 1.00 1.57 C ATOM 505 CG PHE A 62 24.509 0.733 -4.116 1.00 4.35 C ATOM 506 CD1 PHE A 62 24.560 2.126 -4.161 1.00 5.49 C ATOM 507 CD2 PHE A 62 23.601 0.068 -4.937 1.00 4.91 C ATOM 508 CE1 PHE A 62 23.716 2.847 -5.014 1.00 4.99 C ATOM 509 CE2 PHE A 62 22.752 0.779 -5.795 1.00 9.82 C ATOM 510 CZ PHE A 62 22.811 2.171 -5.832 1.00 4.73 C ATOM 511 N TYR A 63 28.520 0.105 -2.682 1.00 3.81 N ATOM 512 CA TYR A 63 29.650 0.026 -1.768 1.00 3.62 C ATOM 513 C TYR A 63 29.659 1.254 -0.878 1.00 5.07 C ATOM 514 O TYR A 63 29.472 2.372 -1.356 1.00 5.16 O ATOM 515 CB TYR A 63 30.961 -0.026 -2.553 1.00 3.19 C ATOM 516 CG TYR A 63 31.004 -1.157 -3.544 1.00 3.40 C ATOM 517 CD1 TYR A 63 30.393 -1.038 -4.792 1.00 5.70 C ATOM 518 CD2 TYR A 63 31.581 -2.381 -3.205 1.00 4.94 C ATOM 519 CE1 TYR A 63 30.348 -2.109 -5.674 1.00 10.08 C ATOM 520 CE2 TYR A 63 31.541 -3.460 -4.082 1.00 8.07 C ATOM 521 CZ TYR A 63 30.922 -3.316 -5.312 1.00 11.23 C ATOM 522 OH TYR A 63 30.863 -4.385 -6.175 1.00 12.27 O ATOM 523 N LEU A 64 29.884 1.040 0.413 1.00 2.65 N ATOM 524 CA LEU A 64 29.923 2.139 1.363 1.00 5.08 C ATOM 525 C LEU A 64 31.127 2.041 2.278 1.00 4.51 C ATOM 526 O LEU A 64 31.350 1.007 2.909 1.00 5.21 O ATOM 527 CB LEU A 64 28.660 2.149 2.230 1.00 4.51 C ATOM 528 CG LEU A 64 28.626 3.243 3.308 1.00 11.02 C ATOM 529 CD1 LEU A 64 28.412 4.594 2.645 1.00 9.26 C ATOM 530 CD2 LEU A 64 27.511 2.963 4.307 1.00 13.20 C ATOM 531 N LEU A 65 31.913 3.113 2.332 1.00 3.06 N ATOM 532 CA LEU A 65 33.057 3.170 3.228 1.00 3.25 C ATOM 533 C LEU A 65 32.642 4.203 4.269 1.00 4.06 C ATOM 534 O LEU A 65 32.461 5.384 3.955 1.00 7.34 O ATOM 535 CB LEU A 65 34.326 3.629 2.508 1.00 8.39 C ATOM 536 CG LEU A 65 35.561 3.626 3.420 1.00 5.46 C ATOM 537 CD1 LEU A 65 35.807 2.214 3.939 1.00 6.67 C ATOM 538 CD2 LEU A 65 36.778 4.133 2.657 1.00 8.20 C ATOM 539 N TYR A 66 32.489 3.742 5.503 1.00 3.55 N ATOM 540 CA TYR A 66 32.044 4.578 6.615 1.00 3.71 C ATOM 541 C TYR A 66 33.165 4.597 7.643 1.00 2.41 C ATOM 542 O TYR A 66 33.427 3.588 8.296 1.00 5.85 O ATOM 543 CB TYR A 66 30.781 3.938 7.200 1.00 4.04 C ATOM 544 CG TYR A 66 29.983 4.753 8.190 1.00 3.95 C ATOM 545 CD1 TYR A 66 29.311 5.914 7.802 1.00 5.30 C ATOM 546 CD2 TYR A 66 29.833 4.314 9.507 1.00 7.69 C ATOM 547 CE1 TYR A 66 28.497 6.613 8.705 1.00 6.56 C ATOM 548 CE2 TYR A 66 29.029 5.001 10.414 1.00 4.88 C ATOM 549 CZ TYR A 66 28.363 6.146 10.010 1.00 6.19 C ATOM 550 OH TYR A 66 27.563 6.812 10.914 1.00 7.58 O ATOM 551 N TYR A 67 33.831 5.738 7.788 1.00 6.72 N ATOM 552 CA TYR A 67 34.936 5.823 8.734 1.00 6.34 C ATOM 553 C TYR A 67 35.095 7.183 9.396 1.00 4.91 C ATOM 554 O TYR A 67 34.552 8.188 8.933 1.00 5.53 O ATOM 555 CB TYR A 67 36.253 5.441 8.049 1.00 4.20 C ATOM 556 CG TYR A 67 36.729 6.411 6.985 1.00 12.76 C ATOM 557 CD1 TYR A 67 36.098 6.486 5.745 1.00 15.27 C ATOM 558 CD2 TYR A 67 37.829 7.236 7.215 1.00 19.75 C ATOM 559 CE1 TYR A 67 36.554 7.356 4.755 1.00 22.04 C ATOM 560 CE2 TYR A 67 38.294 8.109 6.235 1.00 23.93 C ATOM 561 CZ TYR A 67 37.652 8.163 5.007 1.00 26.37 C ATOM 562 OH TYR A 67 38.111 9.019 4.034 1.00 37.65 O ATOM 563 N THR A 68 35.857 7.202 10.483 1.00 9.12 N ATOM 564 CA THR A 68 36.097 8.436 11.217 1.00 8.04 C ATOM 565 C THR A 68 37.293 8.231 12.141 1.00 8.22 C ATOM 566 O THR A 68 37.622 7.101 12.503 1.00 7.00 O ATOM 567 CB THR A 68 34.849 8.830 12.046 1.00 8.78 C ATOM 568 OG1 THR A 68 34.943 10.206 12.435 1.00 11.70 O ATOM 569 CG2 THR A 68 34.735 7.963 13.293 1.00 12.99 C ATOM 570 N GLU A 69 37.954 9.319 12.513 1.00 9.37 N ATOM 571 CA GLU A 69 39.107 9.212 13.398 1.00 5.46 C ATOM 572 C GLU A 69 38.702 8.777 14.803 1.00 7.38 C ATOM 573 O GLU A 69 37.624 9.126 15.289 1.00 9.98 O ATOM 574 CB GLU A 69 39.849 10.550 13.458 1.00 15.44 C ATOM 575 CG GLU A 69 41.022 10.556 14.420 1.00 13.15 C ATOM 576 CD GLU A 69 41.934 11.750 14.218 1.00 33.77 C ATOM 577 OE1 GLU A 69 41.417 12.867 14.015 1.00 24.19 O ATOM 578 OE2 GLU A 69 43.168 11.571 14.270 1.00 31.67 O ATOM 579 N PHE A 70 39.564 7.997 15.447 1.00 11.87 N ATOM 580 CA PHE A 70 39.300 7.533 16.802 1.00 11.80 C ATOM 581 C PHE A 70 40.604 7.244 17.539 1.00 11.59 C ATOM 582 O PHE A 70 41.674 7.211 16.933 1.00 10.86 O ATOM 583 CB PHE A 70 38.384 6.291 16.776 1.00 14.57 C ATOM 584 CG PHE A 70 39.082 4.990 16.438 1.00 5.27 C ATOM 585 CD1 PHE A 70 40.043 4.921 15.431 1.00 5.75 C ATOM 586 CD2 PHE A 70 38.730 3.817 17.103 1.00 6.50 C ATOM 587 CE1 PHE A 70 40.641 3.696 15.093 1.00 4.61 C ATOM 588 CE2 PHE A 70 39.319 2.590 16.773 1.00 7.89 C ATOM 589 CZ PHE A 70 40.276 2.530 15.767 1.00 7.33 C ATOM 590 N THR A 71 40.513 7.068 18.852 1.00 13.45 N ATOM 591 CA THR A 71 41.687 6.777 19.669 1.00 11.87 C ATOM 592 C THR A 71 41.351 5.581 20.549 1.00 13.46 C ATOM 593 O THR A 71 40.923 5.739 21.692 1.00 17.90 O ATOM 594 CB THR A 71 42.056 7.977 20.563 1.00 18.64 C ATOM 595 OG1 THR A 71 42.242 9.141 19.748 1.00 21.59 O ATOM 596 CG2 THR A 71 43.342 7.693 21.327 1.00 25.38 C ATOM 597 N PRO A 72 41.544 4.363 20.023 1.00 12.19 N ATOM 598 CA PRO A 72 41.255 3.130 20.755 1.00 12.94 C ATOM 599 C PRO A 72 42.208 2.816 21.902 1.00 20.09 C ATOM 600 O PRO A 72 43.391 3.158 21.861 1.00 19.67 O ATOM 601 CB PRO A 72 41.314 2.069 19.662 1.00 12.20 C ATOM 602 CG PRO A 72 42.415 2.578 18.790 1.00 13.35 C ATOM 603 CD PRO A 72 42.084 4.060 18.683 1.00 18.66 C ATOM 604 N THR A 73 41.666 2.170 22.927 1.00 21.27 N ATOM 605 CA THR A 73 42.434 1.750 24.093 1.00 27.62 C ATOM 606 C THR A 73 42.148 0.262 24.241 1.00 38.26 C ATOM 607 O THR A 73 41.091 -0.210 23.823 1.00 28.33 O ATOM 608 CB THR A 73 41.983 2.473 25.379 1.00 20.73 C ATOM 609 OG1 THR A 73 40.606 2.175 25.639 1.00 31.75 O ATOM 610 CG2 THR A 73 42.160 3.974 25.238 1.00 26.86 C ATOM 611 N GLU A 74 43.082 -0.473 24.831 1.00 34.10 N ATOM 612 CA GLU A 74 42.922 -1.912 25.011 1.00 45.54 C ATOM 613 C GLU A 74 41.686 -2.298 25.823 1.00 45.08 C ATOM 614 O GLU A 74 41.373 -3.482 25.952 1.00 57.55 O ATOM 615 CB GLU A 74 44.171 -2.500 25.677 1.00 43.01 C ATOM 616 CG GLU A 74 44.426 -2.007 27.098 1.00 49.19 C ATOM 617 CD GLU A 74 44.703 -0.516 27.167 1.00 49.95 C ATOM 618 OE1 GLU A 74 45.670 -0.059 26.520 1.00 63.53 O ATOM 619 OE2 GLU A 74 43.955 0.198 27.869 1.00 60.78 O ATOM 620 N LYS A 75 40.982 -1.307 26.362 1.00 30.90 N ATOM 621 CA LYS A 75 39.795 -1.574 27.172 1.00 30.29 C ATOM 622 C LYS A 75 38.474 -1.352 26.435 1.00 50.19 C ATOM 623 O LYS A 75 37.436 -1.870 26.850 1.00 39.37 O ATOM 624 CB LYS A 75 39.814 -0.708 28.435 1.00 47.27 C ATOM 625 CG LYS A 75 39.728 0.787 28.165 1.00 47.62 C ATOM 626 CD LYS A 75 39.702 1.585 29.459 1.00 51.59 C ATOM 627 CE LYS A 75 39.617 3.079 29.186 1.00 41.70 C ATOM 628 NZ LYS A 75 39.588 3.874 30.446 1.00 54.12 N ATOM 629 N ASP A 76 38.507 -0.581 25.353 1.00 19.66 N ATOM 630 CA ASP A 76 37.292 -0.309 24.590 1.00 21.26 C ATOM 631 C ASP A 76 37.075 -1.305 23.461 1.00 18.77 C ATOM 632 O ASP A 76 38.027 -1.836 22.889 1.00 28.57 O ATOM 633 CB ASP A 76 37.323 1.109 24.015 1.00 23.25 C ATOM 634 CG ASP A 76 37.270 2.177 25.091 1.00 24.64 C ATOM 635 OD1 ASP A 76 36.329 2.148 25.911 1.00 38.03 O ATOM 636 OD2 ASP A 76 38.166 3.046 25.117 1.00 36.63 O ATOM 637 N GLU A 77 35.809 -1.554 23.147 1.00 22.34 N ATOM 638 CA GLU A 77 35.452 -2.480 22.080 1.00 17.52 C ATOM 639 C GLU A 77 34.765 -1.695 20.969 1.00 13.60 C ATOM 640 O GLU A 77 33.863 -0.901 21.230 1.00 18.56 O ATOM 641 CB GLU A 77 34.505 -3.562 22.608 1.00 24.73 C ATOM 642 CG GLU A 77 33.188 -3.025 23.146 1.00 41.37 C ATOM 643 CD GLU A 77 32.224 -4.124 23.551 1.00 67.90 C ATOM 644 OE1 GLU A 77 31.860 -4.948 22.684 1.00 63.37 O ATOM 645 OE2 GLU A 77 31.828 -4.163 24.736 1.00 59.31 O ATOM 646 N TYR A 78 35.202 -1.911 19.734 1.00 13.98 N ATOM 647 CA TYR A 78 34.611 -1.212 18.601 1.00 14.03 C ATOM 648 C TYR A 78 33.980 -2.187 17.626 1.00 15.79 C ATOM 649 O TYR A 78 34.438 -3.320 17.481 1.00 11.27 O ATOM 650 CB TYR A 78 35.665 -0.366 17.888 1.00 10.14 C ATOM 651 CG TYR A 78 36.156 0.787 18.729 1.00 12.31 C ATOM 652 CD1 TYR A 78 37.192 0.618 19.647 1.00 15.50 C ATOM 653 CD2 TYR A 78 35.561 2.043 18.628 1.00 9.82 C ATOM 654 CE1 TYR A 78 37.625 1.677 20.443 1.00 12.39 C ATOM 655 CE2 TYR A 78 35.985 3.106 19.419 1.00 13.95 C ATOM 656 CZ TYR A 78 37.017 2.916 20.323 1.00 16.61 C ATOM 657 OH TYR A 78 37.437 3.968 21.102 1.00 19.97 O ATOM 658 N ALA A 79 32.924 -1.742 16.956 1.00 10.38 N ATOM 659 CA ALA A 79 32.236 -2.595 16.005 1.00 5.71 C ATOM 660 C ALA A 79 31.440 -1.783 15.000 1.00 9.11 C ATOM 661 O ALA A 79 31.340 -0.560 15.105 1.00 7.95 O ATOM 662 CB ALA A 79 31.306 -3.542 16.748 1.00 10.11 C ATOM 663 N CYS A 80 30.881 -2.481 14.020 1.00 3.01 N ATOM 664 CA CYS A 80 30.056 -1.850 13.002 1.00 2.94 C ATOM 665 C CYS A 80 28.720 -2.581 12.994 1.00 6.16 C ATOM 666 O CYS A 80 28.680 -3.811 12.967 1.00 6.81 O ATOM 667 CB CYS A 80 30.702 -1.966 11.623 1.00 2.30 C ATOM 668 SG CYS A 80 29.805 -1.039 10.340 1.00 9.99 S ATOM 669 N ARG A 81 27.633 -1.819 13.035 1.00 3.33 N ATOM 670 CA ARG A 81 26.292 -2.393 13.027 1.00 6.35 C ATOM 671 C ARG A 81 25.601 -2.023 11.725 1.00 11.37 C ATOM 672 O ARG A 81 25.519 -0.847 11.362 1.00 6.60 O ATOM 673 CB ARG A 81 25.477 -1.866 14.200 1.00 2.81 C ATOM 674 CG ARG A 81 24.107 -2.512 14.331 1.00 9.85 C ATOM 675 CD ARG A 81 23.419 -2.022 15.592 1.00 12.92 C ATOM 676 NE ARG A 81 23.234 -0.576 15.554 1.00 21.28 N ATOM 677 CZ ARG A 81 23.074 0.187 16.629 1.00 33.72 C ATOM 678 NH1 ARG A 81 23.078 -0.359 17.838 1.00 17.37 N ATOM 679 NH2 ARG A 81 22.913 1.496 16.493 1.00 14.03 N ATOM 680 N VAL A 82 25.092 -3.034 11.036 1.00 3.59 N ATOM 681 CA VAL A 82 24.436 -2.824 9.757 1.00 4.31 C ATOM 682 C VAL A 82 23.026 -3.392 9.720 1.00 12.60 C ATOM 683 O VAL A 82 22.788 -4.509 10.179 1.00 6.01 O ATOM 684 CB VAL A 82 25.254 -3.484 8.617 1.00 1.92 C ATOM 685 CG1 VAL A 82 24.522 -3.352 7.296 1.00 1.00 C ATOM 686 CG2 VAL A 82 26.634 -2.854 8.530 1.00 4.82 C ATOM 687 N ASN A 83 22.097 -2.604 9.182 1.00 3.06 N ATOM 688 CA ASN A 83 20.712 -3.034 9.019 1.00 1.00 C ATOM 689 C ASN A 83 20.419 -2.936 7.528 1.00 5.48 C ATOM 690 O ASN A 83 20.694 -1.912 6.900 1.00 5.43 O ATOM 691 CB ASN A 83 19.751 -2.138 9.802 1.00 9.45 C ATOM 692 CG ASN A 83 19.483 -2.655 11.201 1.00 42.89 C ATOM 693 OD1 ASN A 83 19.012 -3.777 11.379 1.00 45.58 O ATOM 694 ND2 ASN A 83 19.778 -1.836 12.201 1.00 48.44 N ATOM 695 N HIS A 84 19.878 -4.012 6.965 1.00 3.33 N ATOM 696 CA HIS A 84 19.564 -4.082 5.539 1.00 3.87 C ATOM 697 C HIS A 84 18.375 -5.029 5.406 1.00 1.75 C ATOM 698 O HIS A 84 18.128 -5.836 6.303 1.00 7.26 O ATOM 699 CB HIS A 84 20.782 -4.630 4.778 1.00 1.37 C ATOM 700 CG HIS A 84 20.676 -4.525 3.285 1.00 4.21 C ATOM 701 ND1 HIS A 84 20.393 -5.608 2.480 1.00 4.42 N ATOM 702 CD2 HIS A 84 20.835 -3.468 2.452 1.00 2.54 C ATOM 703 CE1 HIS A 84 20.382 -5.223 1.215 1.00 2.70 C ATOM 704 NE2 HIS A 84 20.648 -3.929 1.171 1.00 3.16 N ATOM 705 N VAL A 85 17.637 -4.944 4.301 1.00 5.23 N ATOM 706 CA VAL A 85 16.478 -5.815 4.138 1.00 3.12 C ATOM 707 C VAL A 85 16.842 -7.293 4.107 1.00 7.77 C ATOM 708 O VAL A 85 16.014 -8.145 4.443 1.00 5.95 O ATOM 709 CB VAL A 85 15.661 -5.467 2.866 1.00 4.75 C ATOM 710 CG1 VAL A 85 15.035 -4.093 3.021 1.00 15.15 C ATOM 711 CG2 VAL A 85 16.547 -5.518 1.633 1.00 4.93 C ATOM 712 N THR A 86 18.080 -7.594 3.726 1.00 2.64 N ATOM 713 CA THR A 86 18.546 -8.981 3.655 1.00 3.75 C ATOM 714 C THR A 86 18.923 -9.540 5.028 1.00 7.90 C ATOM 715 O THR A 86 19.169 -10.736 5.165 1.00 2.51 O ATOM 716 CB THR A 86 19.782 -9.119 2.732 1.00 7.67 C ATOM 717 OG1 THR A 86 20.832 -8.260 3.204 1.00 4.86 O ATOM 718 CG2 THR A 86 19.425 -8.742 1.291 1.00 6.02 C ATOM 719 N LEU A 87 18.972 -8.673 6.036 1.00 5.57 N ATOM 720 CA LEU A 87 19.329 -9.083 7.395 1.00 5.94 C ATOM 721 C LEU A 87 18.116 -8.985 8.314 1.00 9.44 C ATOM 722 O LEU A 87 17.663 -7.888 8.633 1.00 11.11 O ATOM 723 CB LEU A 87 20.454 -8.189 7.929 1.00 4.30 C ATOM 724 CG LEU A 87 21.739 -8.132 7.097 1.00 6.29 C ATOM 725 CD1 LEU A 87 22.634 -6.997 7.587 1.00 6.37 C ATOM 726 CD2 LEU A 87 22.459 -9.464 7.176 1.00 9.45 C ATOM 727 N SER A 88 17.595 -10.133 8.741 1.00 5.89 N ATOM 728 CA SER A 88 16.426 -10.159 9.616 1.00 5.64 C ATOM 729 C SER A 88 16.715 -9.458 10.939 1.00 10.12 C ATOM 730 O SER A 88 15.823 -8.872 11.551 1.00 12.66 O ATOM 731 CB SER A 88 15.980 -11.603 9.866 1.00 7.46 C ATOM 732 OG SER A 88 17.068 -12.416 10.262 1.00 9.86 O ATOM 733 N GLN A 89 17.967 -9.524 11.371 1.00 7.50 N ATOM 734 CA GLN A 89 18.398 -8.874 12.602 1.00 8.34 C ATOM 735 C GLN A 89 19.626 -8.051 12.233 1.00 5.65 C ATOM 736 O GLN A 89 20.384 -8.433 11.344 1.00 6.99 O ATOM 737 CB GLN A 89 18.775 -9.916 13.661 1.00 14.53 C ATOM 738 CG GLN A 89 17.632 -10.835 14.083 1.00 11.85 C ATOM 739 CD GLN A 89 16.431 -10.073 14.615 1.00 40.36 C ATOM 740 OE1 GLN A 89 16.560 -9.231 15.503 1.00 39.09 O ATOM 741 NE2 GLN A 89 15.252 -10.372 14.075 1.00 35.40 N ATOM 742 N PRO A 90 19.834 -6.903 12.897 1.00 10.49 N ATOM 743 CA PRO A 90 21.015 -6.109 12.549 1.00 7.73 C ATOM 744 C PRO A 90 22.282 -6.937 12.741 1.00 6.35 C ATOM 745 O PRO A 90 22.387 -7.721 13.687 1.00 9.51 O ATOM 746 CB PRO A 90 20.929 -4.920 13.507 1.00 15.01 C ATOM 747 CG PRO A 90 20.204 -5.489 14.694 1.00 28.25 C ATOM 748 CD PRO A 90 19.121 -6.316 14.044 1.00 16.04 C ATOM 749 N LYS A 91 23.233 -6.778 11.832 1.00 5.83 N ATOM 750 CA LYS A 91 24.476 -7.525 11.918 1.00 5.81 C ATOM 751 C LYS A 91 25.553 -6.669 12.558 1.00 9.45 C ATOM 752 O LYS A 91 25.778 -5.532 12.153 1.00 7.88 O ATOM 753 CB LYS A 91 24.930 -7.977 10.529 1.00 8.26 C ATOM 754 CG LYS A 91 26.185 -8.838 10.549 1.00 19.99 C ATOM 755 CD LYS A 91 26.545 -9.366 9.166 1.00 27.33 C ATOM 756 CE LYS A 91 25.486 -10.315 8.635 1.00 40.35 C ATOM 757 NZ LYS A 91 25.884 -10.908 7.325 1.00 47.17 N ATOM 758 N ILE A 92 26.206 -7.219 13.575 1.00 5.23 N ATOM 759 CA ILE A 92 27.266 -6.499 14.262 1.00 5.94 C ATOM 760 C ILE A 92 28.583 -7.217 14.034 1.00 10.29 C ATOM 761 O ILE A 92 28.731 -8.389 14.378 1.00 11.31 O ATOM 762 CB ILE A 92 26.996 -6.410 15.779 1.00 8.85 C ATOM 763 CG1 ILE A 92 25.673 -5.683 16.028 1.00 11.75 C ATOM 764 CG2 ILE A 92 28.142 -5.680 16.468 1.00 14.74 C ATOM 765 CD1 ILE A 92 25.236 -5.667 17.474 1.00 16.55 C ATOM 766 N VAL A 93 29.531 -6.514 13.425 1.00 8.10 N ATOM 767 CA VAL A 93 30.845 -7.076 13.158 1.00 7.44 C ATOM 768 C VAL A 93 31.826 -6.307 14.021 1.00 13.19 C ATOM 769 O VAL A 93 31.963 -5.091 13.894 1.00 6.78 O ATOM 770 CB VAL A 93 31.237 -6.923 11.673 1.00 6.34 C ATOM 771 CG1 VAL A 93 32.647 -7.449 11.446 1.00 11.20 C ATOM 772 CG2 VAL A 93 30.241 -7.679 10.795 1.00 12.33 C ATOM 773 N LYS A 94 32.498 -7.020 14.915 1.00 14.66 N ATOM 774 CA LYS A 94 33.455 -6.389 15.808 1.00 11.67 C ATOM 775 C LYS A 94 34.761 -6.048 15.109 1.00 15.84 C ATOM 776 O LYS A 94 35.133 -6.661 14.104 1.00 14.92 O ATOM 777 CB LYS A 94 33.744 -7.306 17.002 1.00 20.51 C ATOM 778 CG LYS A 94 32.535 -7.596 17.871 1.00 26.19 C ATOM 779 CD LYS A 94 32.903 -8.495 19.042 1.00 41.19 C ATOM 780 CE LYS A 94 31.704 -8.752 19.940 1.00 47.27 C ATOM 781 NZ LYS A 94 32.056 -9.604 21.110 1.00 53.10 N ATOM 782 N TRP A 95 35.446 -5.043 15.639 1.00 12.29 N ATOM 783 CA TRP A 95 36.732 -4.642 15.104 1.00 13.40 C ATOM 784 C TRP A 95 37.762 -5.496 15.825 1.00 20.26 C ATOM 785 O TRP A 95 37.769 -5.566 17.056 1.00 27.16 O ATOM 786 CB TRP A 95 37.002 -3.162 15.393 1.00 15.49 C ATOM 787 CG TRP A 95 38.421 -2.749 15.145 1.00 11.27 C ATOM 788 CD1 TRP A 95 39.126 -2.884 13.984 1.00 15.26 C ATOM 789 CD2 TRP A 95 39.310 -2.132 16.086 1.00 14.99 C ATOM 790 NE1 TRP A 95 40.399 -2.390 14.142 1.00 21.95 N ATOM 791 CE2 TRP A 95 40.539 -1.922 15.423 1.00 14.68 C ATOM 792 CE3 TRP A 95 39.186 -1.735 17.425 1.00 20.80 C ATOM 793 CZ2 TRP A 95 41.640 -1.332 16.053 1.00 17.71 C ATOM 794 CZ3 TRP A 95 40.283 -1.147 18.053 1.00 20.40 C ATOM 795 CH2 TRP A 95 41.493 -0.953 17.364 1.00 12.57 C ATOM 796 N ASP A 96 38.614 -6.161 15.056 1.00 19.31 N ATOM 797 CA ASP A 96 39.659 -6.994 15.633 1.00 38.22 C ATOM 798 C ASP A 96 40.954 -6.186 15.715 1.00 41.70 C ATOM 799 O ASP A 96 41.881 -6.473 14.927 1.00 61.54 O ATOM 800 CB ASP A 96 39.880 -8.243 14.780 1.00 35.17 C ATOM 801 CG ASP A 96 40.806 -9.240 15.444 1.00 45.90 C ATOM 802 OD1 ASP A 96 41.919 -8.840 15.843 1.00 33.75 O ATOM 803 OD2 ASP A 96 40.421 -10.422 15.568 1.00 45.64 O TER 804 ASP A 96 HETATM 805 NA NA A 100 16.750 -5.880 8.209 1.00 15.25 Na HETATM 806 O HOH A 101 27.570 5.718 13.490 1.00 8.12 O HETATM 807 O HOH A 102 32.347 3.959 -1.793 1.00 10.51 O HETATM 808 O HOH A 103 42.468 0.333 3.154 1.00 11.57 O HETATM 809 O HOH A 104 17.601 -2.451 2.829 1.00 8.71 O HETATM 810 O HOH A 105 33.179 -5.549 2.885 1.00 6.83 O HETATM 811 O HOH A 106 14.609 -6.255 -1.884 1.00 10.37 O HETATM 812 O HOH A 107 23.081 0.472 12.523 1.00 12.98 O HETATM 813 O HOH A 108 21.490 -12.319 4.822 1.00 11.69 O HETATM 814 O HOH A 109 21.395 4.660 13.135 1.00 20.47 O HETATM 815 O HOH A 110 25.401 -9.832 14.751 1.00 15.91 O HETATM 816 O HOH A 111 39.991 1.644 3.370 1.00 13.53 O HETATM 817 O HOH A 112 19.068 -12.332 7.479 1.00 14.01 O HETATM 818 O HOH A 113 40.222 3.908 4.778 1.00 15.93 O HETATM 819 O HOH A 114 36.048 -7.258 9.945 1.00 14.12 O HETATM 820 O HOH A 115 35.826 11.006 14.744 1.00 18.68 O HETATM 821 O HOH A 116 31.011 -1.745 20.387 1.00 18.41 O HETATM 822 O HOH A 117 43.587 9.292 16.111 1.00 10.88 O HETATM 823 O HOH A 118 30.334 -10.080 6.018 1.00 16.94 O HETATM 824 O HOH A 119 28.883 1.572 27.253 1.00 29.66 O HETATM 825 O HOH A 120 33.766 10.336 16.272 1.00 16.67 O HETATM 826 O HOH A 121 50.955 5.653 14.539 1.00 17.03 O HETATM 827 O HOH A 122 26.881 0.787 -13.651 1.00 20.86 O HETATM 828 O HOH A 123 15.888 -3.791 7.376 1.00 11.91 O HETATM 829 O HOH A 124 19.819 -0.406 -8.460 1.00 10.92 O HETATM 830 O HOH A 125 37.751 6.451 20.183 1.00 16.41 O HETATM 831 O HOH A 126 34.269 2.202 -1.178 1.00 20.31 O HETATM 832 O HOH A 127 19.996 -14.562 4.862 1.00 8.01 O HETATM 833 O HOH A 128 31.157 10.896 -0.579 1.00 25.57 O HETATM 834 O HOH A 129 14.565 -0.222 -1.948 1.00 18.80 O HETATM 835 O HOH A 130 36.470 -3.957 -3.050 1.00 29.72 O HETATM 836 O HOH A 131 19.538 -12.500 11.216 1.00 32.11 O HETATM 837 O HOH A 132 32.004 7.777 -3.502 1.00 16.84 O HETATM 838 O HOH A 133 29.484 10.108 -3.934 1.00 22.54 O HETATM 839 O HOH A 134 16.375 -5.097 -7.770 1.00 17.93 O HETATM 840 O HOH A 135 45.422 5.168 17.896 1.00 16.14 O HETATM 841 O HOH A 136 32.649 -10.068 14.698 1.00 19.22 O HETATM 842 O HOH A 137 29.286 -9.516 16.775 1.00 35.36 O HETATM 843 O HOH A 138 15.083 -7.279 7.213 1.00 16.86 O HETATM 844 O HOH A 139 22.162 -10.383 11.088 1.00 22.87 O HETATM 845 O HOH A 140 28.815 9.376 -0.939 1.00 24.32 O HETATM 846 O HOH A 141 15.320 -6.331 10.480 1.00 26.51 O HETATM 847 O HOH A 142 36.311 -6.684 0.169 1.00 26.80 O HETATM 848 O HOH A 143 14.799 -6.990 13.091 1.00 33.24 O HETATM 849 O HOH A 144 50.529 3.062 15.371 1.00 28.25 O HETATM 850 O HOH A 145 35.191 6.733 19.243 1.00 20.64 O HETATM 851 O HOH A 146 23.225 -2.888 18.867 1.00 25.34 O HETATM 852 O HOH A 147 22.940 -10.590 13.837 1.00 28.02 O HETATM 853 O HOH A 148 35.179 8.202 17.073 1.00 27.22 O HETATM 854 O HOH A 149 37.316 -3.828 19.446 1.00 15.87 O HETATM 855 O HOH A 150 17.370 0.139 9.238 1.00 20.64 O HETATM 856 O HOH A 151 15.745 -5.280 -4.415 1.00 20.45 O HETATM 857 O HOH A 152 21.603 -12.254 9.269 1.00 39.10 O HETATM 858 O HOH A 153 31.512 -5.149 -9.681 1.00 21.30 O HETATM 859 O HOH A 154 23.353 -12.930 6.767 1.00 16.78 O HETATM 860 O HOH A 155 38.981 4.672 23.177 1.00 31.98 O HETATM 861 O HOH A 156 30.741 4.766 24.022 1.00 25.76 O HETATM 862 O HOH A 157 47.348 0.711 15.003 1.00 31.26 O HETATM 863 O HOH A 158 40.859 5.556 6.768 1.00 26.22 O HETATM 864 O HOH A 159 24.920 -6.644 -5.622 1.00 28.49 O HETATM 865 O HOH A 160 42.689 -3.341 11.282 1.00 13.20 O HETATM 866 O HOH A 161 43.450 -4.282 8.872 1.00 16.03 O HETATM 867 O HOH A 162 41.366 -5.599 12.248 1.00 28.32 O HETATM 868 O HOH A 163 37.539 11.948 11.093 1.00 16.78 O HETATM 869 O HOH A 164 30.470 11.076 18.503 1.00 24.84 O HETATM 870 O HOH A 165 38.656 -6.463 7.908 1.00 24.11 O HETATM 871 O HOH A 166 22.859 7.860 18.955 1.00 27.98 O HETATM 872 O HOH A 167 19.483 -1.627 15.208 1.00 19.63 O HETATM 873 O HOH A 168 34.233 -9.382 8.181 1.00 21.53 O HETATM 874 O HOH A 169 28.970 9.577 20.204 1.00 24.25 O HETATM 875 O HOH A 170 25.090 -2.159 -14.529 1.00 20.05 O HETATM 876 O HOH A 171 53.044 11.300 9.946 1.00 28.11 O HETATM 877 O HOH A 172 23.760 0.694 20.314 1.00 23.87 O HETATM 878 O HOH A 173 36.689 3.227 -0.745 1.00 25.94 O HETATM 879 O HOH A 174 13.143 -5.401 -10.333 1.00 26.51 O HETATM 880 O HOH A 175 25.428 -8.920 5.666 1.00 22.87 O HETATM 881 O HOH A 176 37.854 0.125 0.233 0.50 18.09 O HETATM 882 O HOH A 177 51.471 12.069 12.709 1.00 32.91 O HETATM 883 O HOH A 178 38.418 -6.752 12.554 1.00 25.99 O HETATM 884 O HOH A 179 15.106 -1.805 0.979 1.00 15.92 O HETATM 885 O HOH A 180 13.640 -4.196 -0.586 1.00 21.29 O HETATM 886 O HOH A 181 31.574 11.766 3.560 1.00 27.86 O HETATM 887 O HOH A 182 18.112 -0.216 6.606 1.00 29.48 O HETATM 888 O HOH A 183 45.311 1.241 12.154 1.00 17.03 O HETATM 889 O HOH A 184 27.210 7.357 23.936 1.00 29.09 O HETATM 890 O HOH A 185 15.746 -4.442 12.629 1.00 28.14 O HETATM 891 O HOH A 186 44.818 0.360 15.680 1.00 20.79 O HETATM 892 O HOH A 187 45.295 8.001 17.691 1.00 36.02 O HETATM 893 O HOH A 188 12.926 3.195 0.724 1.00 24.33 O HETATM 894 O HOH A 189 16.405 -1.555 5.134 1.00 29.40 O HETATM 895 O HOH A 190 37.111 9.954 18.786 1.00 34.22 O HETATM 896 O HOH A 191 34.359 11.528 2.727 1.00 40.57 O HETATM 897 O HOH A 192 42.172 -5.220 6.490 1.00 21.00 O HETATM 898 O HOH A 193 32.443 4.036 26.249 1.00 42.07 O HETATM 899 O HOH A 194 28.949 -10.732 12.970 1.00 34.78 O HETATM 900 O HOH A 195 21.600 -4.764 17.572 1.00 35.35 O HETATM 901 O HOH A 196 15.985 -7.726 -11.734 1.00 21.50 O HETATM 902 O HOH A 197 26.970 -1.815 25.673 1.00 32.86 O HETATM 903 O HOH A 198 22.124 -7.793 16.334 1.00 25.24 O HETATM 904 O HOH A 199 25.284 6.901 21.278 1.00 27.03 O HETATM 905 O HOH A 200 26.957 3.158 28.081 1.00 29.22 O HETATM 906 O HOH A 201 28.369 11.465 2.295 1.00 35.05 O HETATM 907 O HOH A 202 31.934 -6.634 -5.393 1.00 27.66 O HETATM 908 O HOH A 203 18.470 -5.133 9.301 1.00 17.27 O CONECT 205 668 204 CONECT 668 205 667 CONECT 698 697 805 CONECT 722 721 805 CONECT 796 797 784 CONECT 797 796 800 798 CONECT 798 797 799 CONECT 799 798 CONECT 800 797 801 CONECT 801 800 802 803 CONECT 802 801 CONECT 803 801 CONECT 805 908 846 843 722 CONECT 805 828 698 CONECT 828 805 CONECT 843 805 CONECT 846 805 CONECT 908 805 END If you find results from this site helpful for your research, please cite one of our papers:
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