HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-JUL-09 3IDU TITLE CRYSTAL STRUCTURE OF THE CARDB DOMAIN OF THE PF1109 PROTEIN TITLE 2 IN COMPLEX WITH DI-METAL IONS FROM PYROCOCCUS FURIOSUS, TITLE 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET PFR193A COMPND MOL_ID: 1; COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: CARDB DOMAIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; SOURCE 3 ORGANISM_TAXID: 2261; SOURCE 4 STRAIN: DSM 3638; SOURCE 5 GENE: PF1109; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+ MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PET 21-23C; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: BL21 KEYWDS ALL BETA-PROTEIN, STRUCTURAL GENOMICS, PSI-2, PROTEIN KEYWDS 2 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS KEYWDS 3 CONSORTIUM, NESG, UNKNOWN FUNCTION EXPDTA X-RAY DIFFRACTION AUTHOR F.FOROUHAR,H.NEELY,J.SEETHARAMAN,M.MAO,R.XIAO,C.CICCOSANTI, AUTHOR 2 D.LEE,J.K.EVERETT,R.NAIR,T.B.ACTON,B.ROST,G.T.MONTELIONE, AUTHOR 3 J.F.HUNT,L.TONG,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM AUTHOR 4 (NESG) REVDAT 1 04-AUG-09 3IDU 0 JRNL AUTH F.FOROUHAR,H.NEELY,J.SEETHARAMAN,M.MAO,R.XIAO, JRNL AUTH 2 C.CICCOSANTI,D.LEE,J.K.EVERETT,R.NAIR,T.B.ACTON, JRNL AUTH 3 B.ROST,G.T.MONTELIONE,J.F.HUNT,L.TONG JRNL TITL NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET JRNL TITL 2 PFR193A JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.2 & XTALVIEW 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) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.49 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 389113.812 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 84.8 REMARK 3 NUMBER OF REFLECTIONS : 37635 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) : 0.190 REMARK 3 FREE R VALUE : 0.212 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1883 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 10 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.76 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 55.30 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2385 REMARK 3 BIN R VALUE (WORKING SET) : 0.2150 REMARK 3 BIN FREE R VALUE : 0.2580 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 100 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.026 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1782 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 4 REMARK 3 SOLVENT ATOMS : 209 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 9.60 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.10 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.79000 REMARK 3 B22 (A**2) : 7.27000 REMARK 3 B33 (A**2) : -5.48000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.28000 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) : 0.08 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) : 0.21 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.12 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.20 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 28.30 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.73 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.40 REMARK 3 BSOL : 53.47 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: NULL REMARK 4 REMARK 4 3IDU COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-JUL-09. REMARK 100 THE RCSB ID CODE IS RCSB054287. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 23-JUN-09 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X4A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97947 REMARK 200 MONOCHROMATOR : SI 111 CHANNEL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 43069 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 95.8 REMARK 200 DATA REDUNDANCY : 3.100 REMARK 200 R MERGE (I) : 0.05500 REMARK 200 R SYM (I) : 0.04500 REMARK 200 FOR THE DATA SET : 21.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.76 REMARK 200 COMPLETENESS FOR SHELL (%) : 85.2 REMARK 200 DATA REDUNDANCY IN SHELL : 2.60 REMARK 200 R MERGE FOR SHELL (I) : 0.27300 REMARK 200 R SYM FOR SHELL (I) : 0.22000 REMARK 200 FOR SHELL : 3.340 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 2KL6 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 31.65 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN SOLUTION: 100MM NACL, 5MM REMARK 280 DTT, 0.02% NAN3, 10MM TRIS-HCL (PH 7.5) . RESERVOIR SOLUTION: REMARK 280 0.1M SODIUM ACETATE (PH 5), 20% PEG 4K, AND 0.1M MAGNESIUM REMARK 280 SULFATE, MICROBATCH, UNDER OIL, TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,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 36.33250 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 MSE A 422 REMARK 465 ALA A 432 REMARK 465 THR A 433 REMARK 465 LEU A 541 REMARK 465 GLU A 542 REMARK 465 HIS A 543 REMARK 465 HIS A 544 REMARK 465 HIS A 545 REMARK 465 HIS A 546 REMARK 465 HIS A 547 REMARK 465 HIS A 548 REMARK 465 MSE B 422 REMARK 465 THR B 423 REMARK 465 ASP B 424 REMARK 465 TYR B 425 REMARK 465 ASP B 426 REMARK 465 LYS B 427 REMARK 465 LEU B 428 REMARK 465 SER B 429 REMARK 465 ASN B 430 REMARK 465 LEU B 431 REMARK 465 ALA B 432 REMARK 465 HIS B 543 REMARK 465 HIS B 544 REMARK 465 HIS B 545 REMARK 465 HIS B 546 REMARK 465 HIS B 547 REMARK 465 HIS B 548 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLU B 436 74.76 13.96 REMARK 500 LYS B 494 53.54 39.50 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH B 193 DISTANCE = 6.43 ANGSTROMS 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 MN A 601 MN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 439 OD1 REMARK 620 2 LEU A 440 O 92.6 REMARK 620 3 GLU A 525 OE1 91.3 93.4 REMARK 620 4 ASN A 527 O 86.8 179.3 86.2 REMARK 620 5 ASN A 530 OD1 93.6 94.2 170.7 86.2 REMARK 620 6 ASN A 531 OD1 176.7 89.3 91.3 91.3 83.6 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MN A 602 MN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 518 OD2 REMARK 620 2 VAL A 523 O 91.4 REMARK 620 3 GLU A 525 OE2 100.2 101.0 REMARK 620 4 GLU A 528 OE2 165.5 101.7 83.3 REMARK 620 5 HOH A 33 O 77.5 160.4 96.8 88.1 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MN B 601 MN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP B 439 OD1 REMARK 620 2 LEU B 440 O 99.9 REMARK 620 3 GLU B 525 OE1 93.9 93.3 REMARK 620 4 ASN B 527 O 75.3 174.5 89.7 REMARK 620 5 ASN B 530 OD1 91.5 95.8 168.4 81.7 REMARK 620 6 ASN B 531 OD1 171.3 85.8 92.3 98.6 81.3 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MN B 602 MN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP B 518 OD2 REMARK 620 2 ASN B 521 OD1 96.2 REMARK 620 3 VAL B 523 O 83.9 89.6 REMARK 620 4 GLU B 525 OE2 94.6 167.7 97.4 REMARK 620 5 GLU B 528 OE2 168.8 83.9 107.3 84.3 REMARK 620 6 HOH B 91 O 83.7 83.8 165.3 91.5 85.2 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 MN A 601 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MN A 602 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MN B 601 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MN B 602 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: PFR193A RELATED DB: TARGETDB DBREF 3IDU A 423 540 UNP Q8U1U6 Q8U1U6_PYRFU 423 540 DBREF 3IDU B 423 540 UNP Q8U1U6 Q8U1U6_PYRFU 423 540 SEQADV 3IDU MSE A 422 UNP Q8U1U6 INITIATING METHIONINE SEQADV 3IDU LEU A 541 UNP Q8U1U6 EXPRESSION TAG SEQADV 3IDU GLU A 542 UNP Q8U1U6 EXPRESSION TAG SEQADV 3IDU HIS A 543 UNP Q8U1U6 EXPRESSION TAG SEQADV 3IDU HIS A 544 UNP Q8U1U6 EXPRESSION TAG SEQADV 3IDU HIS A 545 UNP Q8U1U6 EXPRESSION TAG SEQADV 3IDU HIS A 546 UNP Q8U1U6 EXPRESSION TAG SEQADV 3IDU HIS A 547 UNP Q8U1U6 EXPRESSION TAG SEQADV 3IDU HIS A 548 UNP Q8U1U6 EXPRESSION TAG SEQADV 3IDU MSE B 422 UNP Q8U1U6 INITIATING METHIONINE SEQADV 3IDU LEU B 541 UNP Q8U1U6 EXPRESSION TAG SEQADV 3IDU GLU B 542 UNP Q8U1U6 EXPRESSION TAG SEQADV 3IDU HIS B 543 UNP Q8U1U6 EXPRESSION TAG SEQADV 3IDU HIS B 544 UNP Q8U1U6 EXPRESSION TAG SEQADV 3IDU HIS B 545 UNP Q8U1U6 EXPRESSION TAG SEQADV 3IDU HIS B 546 UNP Q8U1U6 EXPRESSION TAG SEQADV 3IDU HIS B 547 UNP Q8U1U6 EXPRESSION TAG SEQADV 3IDU HIS B 548 UNP Q8U1U6 EXPRESSION TAG SEQRES 1 A 127 MSE THR ASP TYR ASP LYS LEU SER ASN LEU ALA THR THR SEQRES 2 A 127 PHE GLU PHE PRO ASP LEU THR VAL GLU ILE LYS GLY PRO SEQRES 3 A 127 ASP VAL VAL GLY VAL ASN LYS LEU ALA GLU TYR GLU VAL SEQRES 4 A 127 HIS VAL LYS ASN LEU GLY GLY ILE GLY VAL PRO SER THR SEQRES 5 A 127 LYS VAL ARG VAL TYR ILE ASN GLY THR LEU TYR LYS ASN SEQRES 6 A 127 TRP THR VAL SER LEU GLY PRO LYS GLU GLU LYS VAL LEU SEQRES 7 A 127 THR PHE ASN TRP THR PRO THR GLN GLU GLY MSE TYR ARG SEQRES 8 A 127 ILE ASN ALA THR VAL ASP GLU GLU ASN THR VAL VAL GLU SEQRES 9 A 127 LEU ASN GLU ASN ASN ASN VAL ALA THR PHE ASP VAL SER SEQRES 10 A 127 VAL VAL LEU GLU HIS HIS HIS HIS HIS HIS SEQRES 1 B 127 MSE THR ASP TYR ASP LYS LEU SER ASN LEU ALA THR THR SEQRES 2 B 127 PHE GLU PHE PRO ASP LEU THR VAL GLU ILE LYS GLY PRO SEQRES 3 B 127 ASP VAL VAL GLY VAL ASN LYS LEU ALA GLU TYR GLU VAL SEQRES 4 B 127 HIS VAL LYS ASN LEU GLY GLY ILE GLY VAL PRO SER THR SEQRES 5 B 127 LYS VAL ARG VAL TYR ILE ASN GLY THR LEU TYR LYS ASN SEQRES 6 B 127 TRP THR VAL SER LEU GLY PRO LYS GLU GLU LYS VAL LEU SEQRES 7 B 127 THR PHE ASN TRP THR PRO THR GLN GLU GLY MSE TYR ARG SEQRES 8 B 127 ILE ASN ALA THR VAL ASP GLU GLU ASN THR VAL VAL GLU SEQRES 9 B 127 LEU ASN GLU ASN ASN ASN VAL ALA THR PHE ASP VAL SER SEQRES 10 B 127 VAL VAL LEU GLU HIS HIS HIS HIS HIS HIS MODRES 3IDU MSE A 510 MET SELENOMETHIONINE MODRES 3IDU MSE B 510 MET SELENOMETHIONINE HET MSE A 510 8 HET MSE B 510 8 HET MN A 601 1 HET MN A 602 1 HET MN B 601 1 HET MN B 602 1 HETNAM MSE SELENOMETHIONINE HETNAM MN MANGANESE (II) ION FORMUL 1 MSE 2(C5 H11 N O2 SE) FORMUL 3 MN 4(MN 2+) FORMUL 7 HOH *209(H2 O) SHEET 1 A 3 LEU A 440 LYS A 445 0 SHEET 2 A 3 ALA A 456 ASN A 464 -1 O HIS A 461 N GLU A 443 SHEET 3 A 3 GLU A 496 TRP A 503 -1 O LEU A 499 N VAL A 460 SHEET 1 B 5 VAL A 449 GLY A 451 0 SHEET 2 B 5 VAL A 532 VAL A 540 1 O VAL A 540 N VAL A 450 SHEET 3 B 5 GLY A 509 VAL A 517 -1 N ILE A 513 O PHE A 535 SHEET 4 B 5 VAL A 470 ILE A 479 -1 N TYR A 478 O ASN A 514 SHEET 5 B 5 THR A 482 LEU A 491 -1 O TYR A 484 N VAL A 477 SHEET 1 C 3 LEU B 440 LYS B 445 0 SHEET 2 C 3 ALA B 456 ASN B 464 -1 O GLU B 459 N LYS B 445 SHEET 3 C 3 GLU B 495 TRP B 503 -1 O LEU B 499 N VAL B 460 SHEET 1 D 5 VAL B 449 GLY B 451 0 SHEET 2 D 5 VAL B 532 VAL B 540 1 O SER B 538 N VAL B 450 SHEET 3 D 5 GLY B 509 VAL B 517 -1 N GLY B 509 O VAL B 539 SHEET 4 D 5 VAL B 470 ILE B 479 -1 N TYR B 478 O ASN B 514 SHEET 5 D 5 THR B 482 LEU B 491 -1 O LEU B 491 N VAL B 470 LINK C GLY A 509 N MSE A 510 1555 1555 1.33 LINK C MSE A 510 N TYR A 511 1555 1555 1.33 LINK C GLY B 509 N MSE B 510 1555 1555 1.33 LINK C MSE B 510 N TYR B 511 1555 1555 1.33 LINK OD1 ASP A 439 MN MN A 601 1555 1555 2.34 LINK O LEU A 440 MN MN A 601 1555 1555 2.24 LINK OD2 ASP A 518 MN MN A 602 1555 1555 2.26 LINK O VAL A 523 MN MN A 602 1555 1555 2.35 LINK OE1 GLU A 525 MN MN A 601 1555 1555 2.25 LINK OE2 GLU A 525 MN MN A 602 1555 1555 2.19 LINK O ASN A 527 MN MN A 601 1555 1555 2.24 LINK OE2 GLU A 528 MN MN A 602 1555 1555 2.32 LINK OD1 ASN A 530 MN MN A 601 1555 1555 2.19 LINK OD1 ASN A 531 MN MN A 601 1555 1555 2.21 LINK OD1 ASP B 439 MN MN B 601 1555 1555 2.41 LINK O LEU B 440 MN MN B 601 1555 1555 2.20 LINK OD2 ASP B 518 MN MN B 602 1555 1555 2.21 LINK OD1 ASN B 521 MN MN B 602 1555 1555 2.42 LINK O VAL B 523 MN MN B 602 1555 1555 2.37 LINK OE1 GLU B 525 MN MN B 601 1555 1555 2.28 LINK OE2 GLU B 525 MN MN B 602 1555 1555 2.20 LINK O ASN B 527 MN MN B 601 1555 1555 2.23 LINK OE2 GLU B 528 MN MN B 602 1555 1555 2.33 LINK OD1 ASN B 530 MN MN B 601 1555 1555 2.24 LINK OD1 ASN B 531 MN MN B 601 1555 1555 2.23 LINK MN MN A 602 O HOH A 33 1555 1555 2.33 LINK MN MN B 602 O HOH B 91 1555 1555 2.24 SITE 1 AC1 6 ASP A 439 LEU A 440 GLU A 525 ASN A 527 SITE 2 AC1 6 ASN A 530 ASN A 531 SITE 1 AC2 6 HOH A 33 ASP A 518 ASN A 521 VAL A 523 SITE 2 AC2 6 GLU A 525 GLU A 528 SITE 1 AC3 6 ASP B 439 LEU B 440 GLU B 525 ASN B 527 SITE 2 AC3 6 ASN B 530 ASN B 531 SITE 1 AC4 6 HOH B 91 ASP B 518 ASN B 521 VAL B 523 SITE 2 AC4 6 GLU B 525 GLU B 528 CRYST1 24.551 72.665 58.456 90.00 93.44 90.00 P 1 21 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 0.040732 0.000000 0.002451 0.00000 SCALE2 0.000000 0.013762 0.000000 0.00000 SCALE3 0.000000 0.000000 0.017138 0.00000 REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3IDU.PDB, MODEL/S 1 3IDU.PDB REMARK PdbStat -- SEQRES 1 A 439 THR ASP TYR ASP LYS LEU SER ASN LEU THR PHE GLU PHE SEQRES 2 A 439 PRO ASP LEU THR VAL GLU ILE LYS GLY PRO ASP VAL VAL SEQRES 3 A 439 GLY VAL ASN LYS LEU ALA GLU TYR GLU VAL HIS VAL LYS SEQRES 4 A 439 ASN LEU GLY GLY ILE GLY VAL PRO SER THR LYS VAL ARG SEQRES 5 A 439 VAL TYR ILE ASN GLY THR LEU TYR LYS ASN TRP THR VAL SEQRES 6 A 439 SER LEU GLY PRO LYS GLU GLU LYS VAL LEU THR PHE ASN SEQRES 7 A 439 TRP THR PRO THR GLN GLU GLY MSE TYR ARG ILE ASN ALA SEQRES 8 A 439 THR VAL ASP GLU GLU ASN THR VAL VAL GLU LEU ASN GLU SEQRES 9 A 439 ASN ASN ASN VAL ALA THR PHE ASP VAL SER VAL VAL THR SEQRES 10 A 439 THR PHE GLU PHE PRO ASP LEU THR VAL GLU ILE LYS GLY SEQRES 11 A 439 PRO ASP VAL VAL GLY VAL ASN LYS LEU ALA GLU TYR GLU SEQRES 12 A 439 VAL HIS VAL LYS ASN LEU GLY GLY ILE GLY VAL PRO SER SEQRES 13 A 439 THR LYS VAL ARG VAL TYR ILE ASN GLY THR LEU TYR LYS SEQRES 14 A 439 ASN TRP THR VAL SER LEU GLY PRO LYS GLU GLU LYS VAL SEQRES 15 A 439 LEU THR PHE ASN TRP THR PRO THR GLN GLU GLY MSE TYR SEQRES 16 A 439 ARG ILE ASN ALA THR VAL ASP GLU GLU ASN THR VAL VAL SEQRES 17 A 439 GLU LEU ASN GLU ASN ASN ASN VAL ALA THR PHE ASP VAL SEQRES 18 A 439 SER VAL VAL LEU GLU MN MN MN MN HOH HOH HOH HOH SEQRES 19 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 22 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 23 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 24 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 25 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 26 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 27 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 28 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 29 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 30 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 31 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 32 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 33 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 34 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3IDU.PDB, MODEL/S 1 3IDU.PDB REMARK PdbStat -- SEQRES 1 A 439 THR ASP TYR ASP LYS LEU SER ASN LEU THR PHE GLU PHE SEQRES 2 A 439 PRO ASP LEU THR VAL GLU ILE LYS GLY PRO ASP VAL VAL SEQRES 3 A 439 GLY VAL ASN LYS LEU ALA GLU TYR GLU VAL HIS VAL LYS SEQRES 4 A 439 ASN LEU GLY GLY ILE GLY VAL PRO SER THR LYS VAL ARG SEQRES 5 A 439 VAL TYR ILE ASN GLY THR LEU TYR LYS ASN TRP THR VAL SEQRES 6 A 439 SER LEU GLY PRO LYS GLU GLU LYS VAL LEU THR PHE ASN SEQRES 7 A 439 TRP THR PRO THR GLN GLU GLY MSE TYR ARG ILE ASN ALA SEQRES 8 A 439 THR VAL ASP GLU GLU ASN THR VAL VAL GLU LEU ASN GLU SEQRES 9 A 439 ASN ASN ASN VAL ALA THR PHE ASP VAL SER VAL VAL THR SEQRES 10 A 439 THR PHE GLU PHE PRO ASP LEU THR VAL GLU ILE LYS GLY SEQRES 11 A 439 PRO ASP VAL VAL GLY VAL ASN LYS LEU ALA GLU TYR GLU SEQRES 12 A 439 VAL HIS VAL LYS ASN LEU GLY GLY ILE GLY VAL PRO SER SEQRES 13 A 439 THR LYS VAL ARG VAL TYR ILE ASN GLY THR LEU TYR LYS SEQRES 14 A 439 ASN TRP THR VAL SER LEU GLY PRO LYS GLU GLU LYS VAL SEQRES 15 A 439 LEU THR PHE ASN TRP THR PRO THR GLN GLU GLY MSE TYR SEQRES 16 A 439 ARG ILE ASN ALA THR VAL ASP GLU GLU ASN THR VAL VAL SEQRES 17 A 439 GLU LEU ASN GLU ASN ASN ASN VAL ALA THR PHE ASP VAL SEQRES 18 A 439 SER VAL VAL LEU GLU MN MN MN MN HOH HOH HOH HOH SEQRES 19 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 22 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 23 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 24 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 25 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 26 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 27 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 28 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 29 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 30 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 31 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 32 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 33 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 34 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3IDU.PDB, MODEL/S 1 3IDU.PDB REMARK PdbStat -- SEQRES 1 A 439 THR ASP TYR ASP LYS LEU SER ASN LEU THR PHE GLU PHE SEQRES 2 A 439 PRO ASP LEU THR VAL GLU ILE LYS GLY PRO ASP VAL VAL SEQRES 3 A 439 GLY VAL ASN LYS LEU ALA GLU TYR GLU VAL HIS VAL LYS SEQRES 4 A 439 ASN LEU GLY GLY ILE GLY VAL PRO SER THR LYS VAL ARG SEQRES 5 A 439 VAL TYR ILE ASN GLY THR LEU TYR LYS ASN TRP THR VAL SEQRES 6 A 439 SER LEU GLY PRO LYS GLU GLU LYS VAL LEU THR PHE ASN SEQRES 7 A 439 TRP THR PRO THR GLN GLU GLY MSE TYR ARG ILE ASN ALA SEQRES 8 A 439 THR VAL ASP GLU GLU ASN THR VAL VAL GLU LEU ASN GLU SEQRES 9 A 439 ASN ASN ASN VAL ALA THR PHE ASP VAL SER VAL VAL THR SEQRES 10 A 439 THR PHE GLU PHE PRO ASP LEU THR VAL GLU ILE LYS GLY SEQRES 11 A 439 PRO ASP VAL VAL GLY VAL ASN LYS LEU ALA GLU TYR GLU SEQRES 12 A 439 VAL HIS VAL LYS ASN LEU GLY GLY ILE GLY VAL PRO SER SEQRES 13 A 439 THR LYS VAL ARG VAL TYR ILE ASN GLY THR LEU TYR LYS SEQRES 14 A 439 ASN TRP THR VAL SER LEU GLY PRO LYS GLU GLU LYS VAL SEQRES 15 A 439 LEU THR PHE ASN TRP THR PRO THR GLN GLU GLY MSE TYR SEQRES 16 A 439 ARG ILE ASN ALA THR VAL ASP GLU GLU ASN THR VAL VAL SEQRES 17 A 439 GLU LEU ASN GLU ASN ASN ASN VAL ALA THR PHE ASP VAL SEQRES 18 A 439 SER VAL VAL LEU GLU MN MN MN MN HOH HOH HOH HOH SEQRES 19 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 22 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 23 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 24 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 25 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 26 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 27 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 28 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 29 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 30 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 31 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 32 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 33 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 34 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 3IDU.PDB, MODEL/S 1 3IDU.PDB REMARK PdbStat -- SEQRES 1 A 439 THR ASP TYR ASP LYS LEU SER ASN LEU THR PHE GLU PHE SEQRES 2 A 439 PRO ASP LEU THR VAL GLU ILE LYS GLY PRO ASP VAL VAL SEQRES 3 A 439 GLY VAL ASN LYS LEU ALA GLU TYR GLU VAL HIS VAL LYS SEQRES 4 A 439 ASN LEU GLY GLY ILE GLY VAL PRO SER THR LYS VAL ARG SEQRES 5 A 439 VAL TYR ILE ASN GLY THR LEU TYR LYS ASN TRP THR VAL SEQRES 6 A 439 SER LEU GLY PRO LYS GLU GLU LYS VAL LEU THR PHE ASN SEQRES 7 A 439 TRP THR PRO THR GLN GLU GLY MSE TYR ARG ILE ASN ALA SEQRES 8 A 439 THR VAL ASP GLU GLU ASN THR VAL VAL GLU LEU ASN GLU SEQRES 9 A 439 ASN ASN ASN VAL ALA THR PHE ASP VAL SER VAL VAL THR SEQRES 10 A 439 THR PHE GLU PHE PRO ASP LEU THR VAL GLU ILE LYS GLY SEQRES 11 A 439 PRO ASP VAL VAL GLY VAL ASN LYS LEU ALA GLU TYR GLU SEQRES 12 A 439 VAL HIS VAL LYS ASN LEU GLY GLY ILE GLY VAL PRO SER SEQRES 13 A 439 THR LYS VAL ARG VAL TYR ILE ASN GLY THR LEU TYR LYS SEQRES 14 A 439 ASN TRP THR VAL SER LEU GLY PRO LYS GLU GLU LYS VAL SEQRES 15 A 439 LEU THR PHE ASN TRP THR PRO THR GLN GLU GLY MSE TYR SEQRES 16 A 439 ARG ILE ASN ALA THR VAL ASP GLU GLU ASN THR VAL VAL SEQRES 17 A 439 GLU LEU ASN GLU ASN ASN ASN VAL ALA THR PHE ASP VAL SEQRES 18 A 439 SER VAL VAL LEU GLU MN MN MN MN HOH HOH HOH HOH SEQRES 19 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 20 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 21 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 22 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 23 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 24 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 25 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 26 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 27 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 28 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 29 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 30 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 31 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 32 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 33 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 34 A 439 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH MODEL 1 REMARK CONFORMATION 1 ENERGY 0.0000 REMARK FAMILY or FILE: 3IDU.pdb ATOM 1 N THR A 2 1.100 -7.877 17.393 1.00 48.30 N ATOM 2 CA THR A 2 1.694 -9.246 17.371 1.00 46.11 C ATOM 3 C THR A 2 2.285 -9.578 16.007 1.00 45.18 C ATOM 4 O THR A 2 3.073 -10.513 15.873 1.00 48.42 O ATOM 5 CB THR A 2 0.642 -10.317 17.715 1.00 48.83 C ATOM 6 OG1 THR A 2 1.209 -11.620 17.530 1.00 41.66 O ATOM 7 CG2 THR A 2 -0.581 -10.168 16.823 1.00 49.66 C ATOM 8 N ASP A 3 1.896 -8.812 14.995 1.00 46.90 N ATOM 9 CA ASP A 3 2.392 -9.038 13.644 1.00 40.57 C ATOM 10 C ASP A 3 3.857 -8.635 13.494 1.00 35.70 C ATOM 11 O ASP A 3 4.248 -7.518 13.835 1.00 28.32 O ATOM 12 CB ASP A 3 1.541 -8.261 12.632 1.00 43.88 C ATOM 13 CG ASP A 3 0.698 -9.170 11.758 1.00 50.54 C ATOM 14 OD1 ASP A 3 1.282 -10.036 11.069 1.00 55.35 O ATOM 15 OD2 ASP A 3 -0.544 -9.018 11.752 1.00 46.16 O ATOM 16 N TYR A 4 4.665 -9.562 12.991 1.00 32.51 N ATOM 17 CA TYR A 4 6.083 -9.317 12.756 1.00 29.76 C ATOM 18 C TYR A 4 6.508 -10.056 11.497 1.00 26.95 C ATOM 19 O TYR A 4 6.220 -11.242 11.342 1.00 19.96 O ATOM 20 CB TYR A 4 6.936 -9.790 13.937 1.00 19.82 C ATOM 21 CG TYR A 4 6.759 -8.967 15.189 1.00 29.45 C ATOM 22 CD1 TYR A 4 7.069 -7.607 15.204 1.00 33.21 C ATOM 23 CD2 TYR A 4 6.261 -9.541 16.353 1.00 31.10 C ATOM 24 CE1 TYR A 4 6.883 -6.839 16.351 1.00 33.83 C ATOM 25 CE2 TYR A 4 6.072 -8.784 17.502 1.00 30.35 C ATOM 26 CZ TYR A 4 6.383 -7.436 17.495 1.00 31.08 C ATOM 27 OH TYR A 4 6.185 -6.689 18.634 1.00 31.53 O ATOM 28 N ASP A 5 7.175 -9.336 10.598 1.00 27.75 N ATOM 29 CA ASP A 5 7.671 -9.898 9.343 1.00 23.87 C ATOM 30 C ASP A 5 8.907 -9.113 8.906 1.00 19.62 C ATOM 31 O ASP A 5 9.363 -8.226 9.631 1.00 21.44 O ATOM 32 CB ASP A 5 6.577 -9.865 8.264 1.00 30.41 C ATOM 33 CG ASP A 5 6.050 -8.465 7.985 1.00 30.27 C ATOM 34 OD1 ASP A 5 5.025 -8.357 7.277 1.00 35.59 O ATOM 35 OD2 ASP A 5 6.650 -7.479 8.456 1.00 30.43 O ATOM 36 N LYS A 6 9.461 -9.428 7.738 1.00 24.22 N ATOM 37 CA LYS A 6 10.665 -8.731 7.287 1.00 23.78 C ATOM 38 C LYS A 6 10.456 -7.241 7.052 1.00 27.70 C ATOM 39 O LYS A 6 11.400 -6.516 6.732 1.00 27.96 O ATOM 40 CB LYS A 6 11.236 -9.382 6.017 1.00 29.69 C ATOM 41 CG LYS A 6 10.594 -8.967 4.700 1.00 35.53 C ATOM 42 CD LYS A 6 9.268 -9.650 4.451 1.00 37.87 C ATOM 43 CE LYS A 6 8.816 -9.424 3.010 1.00 41.75 C ATOM 44 NZ LYS A 6 7.497 -10.060 2.715 1.00 44.90 N ATOM 45 N LEU A 7 9.221 -6.784 7.211 1.00 22.88 N ATOM 46 CA LEU A 7 8.907 -5.372 7.023 1.00 27.46 C ATOM 47 C LEU A 7 8.433 -4.777 8.348 1.00 26.36 C ATOM 48 O LEU A 7 8.139 -3.584 8.440 1.00 27.21 O ATOM 49 CB LEU A 7 7.813 -5.215 5.963 1.00 29.49 C ATOM 50 CG LEU A 7 7.489 -3.791 5.512 1.00 33.54 C ATOM 51 CD1 LEU A 7 8.692 -3.197 4.783 1.00 38.17 C ATOM 52 CD2 LEU A 7 6.275 -3.811 4.599 1.00 35.84 C ATOM 53 N SER A 8 8.371 -5.619 9.375 1.00 29.66 N ATOM 54 CA SER A 8 7.922 -5.191 10.693 1.00 24.63 C ATOM 55 C SER A 8 8.723 -5.810 11.833 1.00 28.05 C ATOM 56 O SER A 8 8.647 -7.017 12.075 1.00 25.40 O ATOM 57 CB SER A 8 6.445 -5.539 10.878 1.00 29.10 C ATOM 58 OG SER A 8 6.024 -5.260 12.204 1.00 32.81 O ATOM 59 N ASN A 9 9.481 -4.975 12.534 1.00 27.14 N ATOM 60 CA ASN A 9 10.280 -5.429 13.663 1.00 26.23 C ATOM 61 C ASN A 9 9.853 -4.704 14.930 1.00 26.70 C ATOM 62 O ASN A 9 9.304 -3.606 14.868 1.00 32.68 O ATOM 63 CB ASN A 9 11.765 -5.185 13.402 1.00 30.01 C ATOM 64 CG ASN A 9 12.301 -6.048 12.282 1.00 32.41 C ATOM 65 OD1 ASN A 9 12.039 -5.801 11.103 1.00 48.80 O ATOM 66 ND2 ASN A 9 13.043 -7.080 12.646 1.00 22.97 N ATOM 67 N LEU A 10 10.104 -5.325 16.077 1.00 29.49 N ATOM 68 CA LEU A 10 9.734 -4.735 17.356 1.00 30.32 C ATOM 69 C LEU A 10 10.532 -3.469 17.655 1.00 32.98 C ATOM 70 O LEU A 10 11.598 -3.240 17.084 1.00 35.63 O ATOM 71 CB LEU A 10 9.927 -5.762 18.476 1.00 29.33 C ATOM 72 CG LEU A 10 9.668 -5.303 19.915 1.00 31.09 C ATOM 73 CD1 LEU A 10 9.302 -6.503 20.769 1.00 38.91 C ATOM 74 CD2 LEU A 10 10.897 -4.597 20.468 1.00 35.21 C ATOM 75 N THR A 13 10.016 1.334 21.321 1.00 52.95 N ATOM 76 CA THR A 13 9.665 2.747 21.215 1.00 46.40 C ATOM 77 C THR A 13 8.190 2.930 20.864 1.00 43.22 C ATOM 78 O THR A 13 7.653 2.230 20.006 1.00 45.62 O ATOM 79 CB THR A 13 10.509 3.451 20.140 1.00 48.78 C ATOM 80 OG1 THR A 13 10.131 4.832 20.063 1.00 53.77 O ATOM 81 CG2 THR A 13 10.299 2.790 18.788 1.00 51.08 C ATOM 82 N PHE A 14 7.545 3.878 21.536 1.00 35.20 N ATOM 83 CA PHE A 14 6.135 4.168 21.310 1.00 30.01 C ATOM 84 C PHE A 14 5.925 5.667 21.181 1.00 21.82 C ATOM 85 O PHE A 14 4.795 6.145 21.166 1.00 22.20 O ATOM 86 CB PHE A 14 5.293 3.634 22.470 1.00 33.96 C ATOM 87 CG PHE A 14 5.200 2.140 22.510 1.00 43.28 C ATOM 88 CD1 PHE A 14 4.502 1.451 21.524 1.00 46.08 C ATOM 89 CD2 PHE A 14 5.816 1.417 23.527 1.00 45.22 C ATOM 90 CE1 PHE A 14 4.415 0.063 21.548 1.00 47.38 C ATOM 91 CE2 PHE A 14 5.737 0.028 23.561 1.00 48.88 C ATOM 92 CZ PHE A 14 5.034 -0.651 22.568 1.00 50.94 C ATOM 93 N GLU A 15 7.020 6.406 21.078 1.00 19.29 N ATOM 94 CA GLU A 15 6.926 7.851 20.972 1.00 15.04 C ATOM 95 C GLU A 15 6.850 8.367 19.542 1.00 9.64 C ATOM 96 O GLU A 15 6.783 9.575 19.328 1.00 12.46 O ATOM 97 CB GLU A 15 8.109 8.502 21.693 1.00 19.84 C ATOM 98 CG GLU A 15 8.214 8.142 23.169 1.00 31.23 C ATOM 99 CD GLU A 15 6.946 8.458 23.936 1.00 38.07 C ATOM 100 OE1 GLU A 15 6.417 9.581 23.784 1.00 37.76 O ATOM 101 OE2 GLU A 15 6.479 7.586 24.698 1.00 45.41 O ATOM 102 N PHE A 16 6.857 7.467 18.560 1.00 10.82 N ATOM 103 CA PHE A 16 6.787 7.889 17.157 1.00 10.38 C ATOM 104 C PHE A 16 5.985 6.958 16.276 1.00 9.82 C ATOM 105 O PHE A 16 5.930 5.753 16.516 1.00 13.03 O ATOM 106 CB PHE A 16 8.175 7.951 16.510 1.00 13.47 C ATOM 107 CG PHE A 16 9.142 8.853 17.200 1.00 10.09 C ATOM 108 CD1 PHE A 16 9.925 8.382 18.248 1.00 13.54 C ATOM 109 CD2 PHE A 16 9.299 10.165 16.778 1.00 9.15 C ATOM 110 CE1 PHE A 16 10.857 9.207 18.867 1.00 12.80 C ATOM 111 CE2 PHE A 16 10.225 11.000 17.387 1.00 11.02 C ATOM 112 CZ PHE A 16 11.010 10.521 18.436 1.00 13.41 C ATOM 113 N PRO A 17 5.348 7.506 15.235 1.00 7.86 N ATOM 114 CA PRO A 17 4.599 6.597 14.374 1.00 8.34 C ATOM 115 C PRO A 17 5.640 6.049 13.394 1.00 13.49 C ATOM 116 O PRO A 17 6.792 6.481 13.413 1.00 9.35 O ATOM 117 CB PRO A 17 3.587 7.524 13.687 1.00 14.54 C ATOM 118 CG PRO A 17 4.334 8.821 13.578 1.00 15.01 C ATOM 119 CD PRO A 17 5.062 8.917 14.917 1.00 8.68 C ATOM 120 N ASP A 18 5.262 5.069 12.584 1.00 7.80 N ATOM 121 CA ASP A 18 6.161 4.562 11.553 1.00 6.77 C ATOM 122 C ASP A 18 5.310 3.966 10.460 1.00 6.79 C ATOM 123 O ASP A 18 4.783 2.862 10.581 1.00 7.11 O ATOM 124 CB ASP A 18 7.157 3.504 12.042 1.00 9.59 C ATOM 125 CG ASP A 18 8.153 3.121 10.945 1.00 11.69 C ATOM 126 OD1 ASP A 18 8.107 3.764 9.875 1.00 12.49 O ATOM 127 OD2 ASP A 18 8.977 2.199 11.132 1.00 17.38 O ATOM 128 N LEU A 19 5.179 4.729 9.392 1.00 7.57 N ATOM 129 CA LEU A 19 4.387 4.328 8.254 1.00 7.40 C ATOM 130 C LEU A 19 5.163 3.417 7.324 1.00 12.04 C ATOM 131 O LEU A 19 6.342 3.633 7.071 1.00 8.33 O ATOM 132 CB LEU A 19 3.951 5.577 7.500 1.00 7.75 C ATOM 133 CG LEU A 19 3.108 6.535 8.335 1.00 6.62 C ATOM 134 CD1 LEU A 19 3.052 7.904 7.673 1.00 6.32 C ATOM 135 CD2 LEU A 19 1.709 5.954 8.492 1.00 9.48 C ATOM 136 N THR A 20 4.489 2.397 6.810 1.00 8.41 N ATOM 137 CA THR A 20 5.117 1.473 5.882 1.00 9.00 C ATOM 138 C THR A 20 4.078 1.049 4.851 1.00 9.40 C ATOM 139 O THR A 20 2.876 1.151 5.096 1.00 9.46 O ATOM 140 CB THR A 20 5.655 0.221 6.603 1.00 13.71 C ATOM 141 OG1 THR A 20 6.578 -0.460 5.742 1.00 24.73 O ATOM 142 CG2 THR A 20 4.517 -0.719 6.948 1.00 5.22 C ATOM 143 N VAL A 21 4.540 0.577 3.701 1.00 10.38 N ATOM 144 CA VAL A 21 3.637 0.136 2.644 1.00 10.26 C ATOM 145 C VAL A 21 4.138 -1.133 1.968 1.00 11.53 C ATOM 146 O VAL A 21 5.343 -1.374 1.877 1.00 11.20 O ATOM 147 CB VAL A 21 3.462 1.213 1.550 1.00 12.07 C ATOM 148 CG1 VAL A 21 2.696 2.398 2.094 1.00 22.00 C ATOM 149 CG2 VAL A 21 4.824 1.645 1.027 1.00 11.81 C ATOM 150 N GLU A 22 3.193 -1.937 1.491 1.00 11.58 N ATOM 151 CA GLU A 22 3.503 -3.181 0.802 1.00 11.72 C ATOM 152 C GLU A 22 2.409 -3.402 -0.236 1.00 13.68 C ATOM 153 O GLU A 22 1.240 -3.108 0.015 1.00 12.68 O ATOM 154 CB GLU A 22 3.514 -4.356 1.782 1.00 14.30 C ATOM 155 CG GLU A 22 4.422 -5.500 1.359 1.00 25.54 C ATOM 156 CD GLU A 22 4.087 -6.808 2.057 1.00 25.38 C ATOM 157 OE1 GLU A 22 3.720 -6.774 3.247 1.00 25.10 O ATOM 158 OE2 GLU A 22 4.201 -7.869 1.413 1.00 32.68 O ATOM 159 N ILE A 23 2.790 -3.914 -1.401 1.00 12.73 N ATOM 160 CA ILE A 23 1.836 -4.179 -2.474 1.00 10.31 C ATOM 161 C ILE A 23 1.649 -5.686 -2.608 1.00 10.12 C ATOM 162 O ILE A 23 2.613 -6.441 -2.504 1.00 15.29 O ATOM 163 CB ILE A 23 2.357 -3.657 -3.824 1.00 11.82 C ATOM 164 CG1 ILE A 23 2.536 -2.139 -3.770 1.00 10.47 C ATOM 165 CG2 ILE A 23 1.403 -4.069 -4.939 1.00 10.85 C ATOM 166 CD1 ILE A 23 3.510 -1.615 -4.807 1.00 20.40 C ATOM 167 N LYS A 24 0.413 -6.121 -2.827 1.00 13.05 N ATOM 168 CA LYS A 24 0.132 -7.542 -3.005 1.00 18.59 C ATOM 169 C LYS A 24 -0.831 -7.742 -4.166 1.00 14.70 C ATOM 170 O LYS A 24 -1.799 -6.999 -4.316 1.00 17.21 O ATOM 171 CB LYS A 24 -0.463 -8.149 -1.731 1.00 17.12 C ATOM 172 CG LYS A 24 0.490 -8.157 -0.556 1.00 24.94 C ATOM 173 CD LYS A 24 0.005 -9.076 0.549 1.00 26.69 C ATOM 174 CE LYS A 24 0.973 -9.056 1.720 1.00 31.99 C ATOM 175 NZ LYS A 24 0.591 -10.036 2.767 1.00 38.90 N ATOM 176 N GLY A 25 -0.556 -8.744 -4.992 1.00 18.24 N ATOM 177 CA GLY A 25 -1.412 -9.016 -6.132 1.00 16.97 C ATOM 178 C GLY A 25 -0.697 -9.876 -7.157 1.00 14.82 C ATOM 179 O GLY A 25 0.436 -10.285 -6.924 1.00 16.17 O ATOM 180 N PRO A 26 -1.326 -10.164 -8.308 1.00 19.87 N ATOM 181 CA PRO A 26 -0.693 -10.992 -9.341 1.00 25.03 C ATOM 182 C PRO A 26 0.564 -10.370 -9.938 1.00 26.15 C ATOM 183 O PRO A 26 0.577 -9.194 -10.304 1.00 31.61 O ATOM 184 CB PRO A 26 -1.805 -11.159 -10.372 1.00 23.59 C ATOM 185 CG PRO A 26 -2.547 -9.864 -10.264 1.00 29.42 C ATOM 186 CD PRO A 26 -2.641 -9.678 -8.761 1.00 22.81 C ATOM 187 N ASP A 27 1.621 -11.170 -10.027 1.00 19.23 N ATOM 188 CA ASP A 27 2.884 -10.714 -10.587 1.00 24.74 C ATOM 189 C ASP A 27 2.897 -10.951 -12.095 1.00 33.05 C ATOM 190 O ASP A 27 3.850 -10.593 -12.790 1.00 26.13 O ATOM 191 CB ASP A 27 4.055 -11.445 -9.921 1.00 30.74 C ATOM 192 CG ASP A 27 3.938 -12.956 -10.017 1.00 39.54 C ATOM 193 OD1 ASP A 27 2.899 -13.505 -9.592 1.00 42.18 O ATOM 194 OD2 ASP A 27 4.888 -13.598 -10.512 1.00 38.26 O ATOM 195 N VAL A 28 1.823 -11.557 -12.590 1.00 32.96 N ATOM 196 CA VAL A 28 1.675 -11.843 -14.011 1.00 31.30 C ATOM 197 C VAL A 28 0.213 -11.656 -14.393 1.00 32.99 C ATOM 198 O VAL A 28 -0.667 -12.307 -13.833 1.00 28.64 O ATOM 199 CB VAL A 28 2.094 -13.290 -14.340 1.00 34.12 C ATOM 200 CG1 VAL A 28 1.955 -13.540 -15.832 1.00 36.46 C ATOM 201 CG2 VAL A 28 3.527 -13.532 -13.892 1.00 31.10 C ATOM 202 N VAL A 29 -0.040 -10.759 -15.341 1.00 31.19 N ATOM 203 CA VAL A 29 -1.401 -10.487 -15.789 1.00 35.15 C ATOM 204 C VAL A 29 -1.502 -10.475 -17.310 1.00 38.07 C ATOM 205 O VAL A 29 -0.512 -10.248 -18.006 1.00 42.83 O ATOM 206 CB VAL A 29 -1.903 -9.127 -15.253 1.00 33.36 C ATOM 207 CG1 VAL A 29 -1.991 -9.163 -13.736 1.00 26.84 C ATOM 208 CG2 VAL A 29 -0.969 -8.019 -15.703 1.00 40.57 C ATOM 209 N GLY A 30 -2.706 -10.720 -17.819 1.00 37.74 N ATOM 210 CA GLY A 30 -2.917 -10.731 -19.256 1.00 38.43 C ATOM 211 C GLY A 30 -3.495 -9.427 -19.772 1.00 35.76 C ATOM 212 O GLY A 30 -4.322 -8.797 -19.110 1.00 26.82 O ATOM 213 N VAL A 31 -3.064 -9.020 -20.961 1.00 31.41 N ATOM 214 CA VAL A 31 -3.543 -7.781 -21.559 1.00 31.47 C ATOM 215 C VAL A 31 -5.072 -7.719 -21.576 1.00 31.22 C ATOM 216 O VAL A 31 -5.747 -8.715 -21.841 1.00 27.37 O ATOM 217 CB VAL A 31 -3.009 -7.620 -23.002 1.00 36.01 C ATOM 218 CG1 VAL A 31 -3.487 -8.777 -23.870 1.00 41.53 C ATOM 219 CG2 VAL A 31 -3.468 -6.292 -23.582 1.00 36.83 C ATOM 220 N ASN A 32 -5.606 -6.540 -21.275 1.00 35.22 N ATOM 221 CA ASN A 32 -7.048 -6.309 -21.258 1.00 30.41 C ATOM 222 C ASN A 32 -7.786 -7.205 -20.269 1.00 34.11 C ATOM 223 O ASN A 32 -8.946 -7.564 -20.487 1.00 33.36 O ATOM 224 CB ASN A 32 -7.626 -6.499 -22.662 1.00 36.48 C ATOM 225 CG ASN A 32 -6.966 -5.597 -23.688 1.00 38.52 C ATOM 226 OD1 ASN A 32 -6.948 -4.374 -23.536 1.00 38.14 O ATOM 227 ND2 ASN A 32 -6.418 -6.196 -24.739 1.00 41.20 N ATOM 228 N LYS A 33 -7.112 -7.555 -19.178 1.00 31.68 N ATOM 229 CA LYS A 33 -7.705 -8.399 -18.148 1.00 34.99 C ATOM 230 C LYS A 33 -7.715 -7.678 -16.807 1.00 27.11 C ATOM 231 O LYS A 33 -6.702 -7.129 -16.382 1.00 30.73 O ATOM 232 CB LYS A 33 -6.930 -9.715 -18.027 1.00 36.11 C ATOM 233 CG LYS A 33 -7.036 -10.604 -19.255 1.00 42.38 C ATOM 234 CD LYS A 33 -6.264 -11.900 -19.076 1.00 42.69 C ATOM 235 CE LYS A 33 -6.432 -12.807 -20.284 1.00 46.30 C ATOM 236 NZ LYS A 33 -5.676 -14.083 -20.139 1.00 52.40 N ATOM 237 N LEU A 34 -8.871 -7.679 -16.150 1.00 30.54 N ATOM 238 CA LEU A 34 -9.026 -7.026 -14.855 1.00 31.22 C ATOM 239 C LEU A 34 -8.142 -7.675 -13.797 1.00 30.12 C ATOM 240 O LEU A 34 -8.222 -8.880 -13.565 1.00 31.33 O ATOM 241 CB LEU A 34 -10.488 -7.092 -14.403 1.00 33.24 C ATOM 242 CG LEU A 34 -10.810 -6.487 -13.033 1.00 39.17 C ATOM 243 CD1 LEU A 34 -10.526 -4.994 -13.053 1.00 34.51 C ATOM 244 CD2 LEU A 34 -12.269 -6.747 -12.683 1.00 34.03 C ATOM 245 N ALA A 35 -7.299 -6.870 -13.159 1.00 29.38 N ATOM 246 CA ALA A 35 -6.410 -7.364 -12.115 1.00 30.31 C ATOM 247 C ALA A 35 -6.650 -6.562 -10.838 1.00 29.26 C ATOM 248 O ALA A 35 -6.773 -5.337 -10.877 1.00 26.42 O ATOM 249 CB ALA A 35 -4.955 -7.237 -12.557 1.00 20.03 C ATOM 250 N GLU A 36 -6.716 -7.257 -9.707 1.00 29.05 N ATOM 251 CA GLU A 36 -6.953 -6.600 -8.428 1.00 31.52 C ATOM 252 C GLU A 36 -5.716 -6.640 -7.536 1.00 28.97 C ATOM 253 O GLU A 36 -5.157 -7.707 -7.280 1.00 26.95 O ATOM 254 CB GLU A 36 -8.136 -7.265 -7.714 1.00 34.14 C ATOM 255 CG GLU A 36 -9.432 -7.240 -8.521 1.00 47.40 C ATOM 256 CD GLU A 36 -10.584 -7.946 -7.825 1.00 51.95 C ATOM 257 OE1 GLU A 36 -11.690 -7.990 -8.405 1.00 56.49 O ATOM 258 OE2 GLU A 36 -10.386 -8.456 -6.703 1.00 55.88 O ATOM 259 N TYR A 37 -5.289 -5.469 -7.072 1.00 19.19 N ATOM 260 CA TYR A 37 -4.121 -5.375 -6.203 1.00 22.49 C ATOM 261 C TYR A 37 -4.494 -4.788 -4.858 1.00 16.16 C ATOM 262 O TYR A 37 -5.532 -4.148 -4.718 1.00 16.32 O ATOM 263 CB TYR A 37 -3.033 -4.507 -6.839 1.00 22.46 C ATOM 264 CG TYR A 37 -2.381 -5.129 -8.050 1.00 18.78 C ATOM 265 CD1 TYR A 37 -2.973 -5.044 -9.310 1.00 20.72 C ATOM 266 CD2 TYR A 37 -1.185 -5.832 -7.929 1.00 19.70 C ATOM 267 CE1 TYR A 37 -2.383 -5.648 -10.423 1.00 24.31 C ATOM 268 CE2 TYR A 37 -0.590 -6.438 -9.030 1.00 27.08 C ATOM 269 CZ TYR A 37 -1.193 -6.344 -10.272 1.00 23.17 C ATOM 270 OH TYR A 37 -0.609 -6.957 -11.356 1.00 26.19 O ATOM 271 N GLU A 38 -3.646 -5.016 -3.863 1.00 15.94 N ATOM 272 CA GLU A 38 -3.899 -4.482 -2.536 1.00 18.92 C ATOM 273 C GLU A 38 -2.676 -3.749 -2.019 1.00 17.24 C ATOM 274 O GLU A 38 -1.546 -4.221 -2.155 1.00 19.29 O ATOM 275 CB GLU A 38 -4.259 -5.600 -1.553 1.00 25.33 C ATOM 276 CG GLU A 38 -5.415 -6.482 -1.993 1.00 26.46 C ATOM 277 CD GLU A 38 -5.838 -7.458 -0.914 1.00 32.36 C ATOM 278 OE1 GLU A 38 -4.954 -8.121 -0.331 1.00 34.83 O ATOM 279 OE2 GLU A 38 -7.055 -7.569 -0.654 1.00 39.30 O ATOM 280 N VAL A 39 -2.911 -2.581 -1.437 1.00 12.58 N ATOM 281 CA VAL A 39 -1.834 -1.800 -0.860 1.00 13.49 C ATOM 282 C VAL A 39 -2.038 -1.898 0.647 1.00 10.31 C ATOM 283 O VAL A 39 -3.057 -1.453 1.169 1.00 11.42 O ATOM 284 CB VAL A 39 -1.901 -0.324 -1.301 1.00 13.77 C ATOM 285 CG1 VAL A 39 -0.789 0.464 -0.625 1.00 17.66 C ATOM 286 CG2 VAL A 39 -1.762 -0.228 -2.825 1.00 23.11 C ATOM 287 N HIS A 40 -1.084 -2.522 1.332 1.00 9.95 N ATOM 288 CA HIS A 40 -1.152 -2.680 2.779 1.00 12.34 C ATOM 289 C HIS A 40 -0.356 -1.558 3.440 1.00 13.86 C ATOM 290 O HIS A 40 0.869 -1.525 3.350 1.00 11.54 O ATOM 291 CB HIS A 40 -0.577 -4.040 3.193 1.00 12.47 C ATOM 292 CG HIS A 40 -1.402 -5.206 2.743 1.00 21.29 C ATOM 293 ND1 HIS A 40 -1.940 -6.120 3.622 1.00 19.15 N ATOM 294 CD2 HIS A 40 -1.810 -5.586 1.508 1.00 20.76 C ATOM 295 CE1 HIS A 40 -2.647 -7.012 2.949 1.00 25.51 C ATOM 296 NE2 HIS A 40 -2.584 -6.710 1.665 1.00 17.71 N ATOM 297 N VAL A 41 -1.059 -0.635 4.090 1.00 11.11 N ATOM 298 CA VAL A 41 -0.407 0.489 4.760 1.00 11.43 C ATOM 299 C VAL A 41 -0.508 0.262 6.264 1.00 10.91 C ATOM 300 O VAL A 41 -1.592 0.009 6.794 1.00 7.65 O ATOM 301 CB VAL A 41 -1.067 1.837 4.357 1.00 9.32 C ATOM 302 CG1 VAL A 41 -2.512 1.881 4.831 1.00 17.27 C ATOM 303 CG2 VAL A 41 -0.274 3.004 4.925 1.00 12.16 C ATOM 304 N LYS A 42 0.627 0.338 6.955 1.00 6.82 N ATOM 305 CA LYS A 42 0.633 0.102 8.391 1.00 6.05 C ATOM 306 C LYS A 42 1.345 1.192 9.172 1.00 7.98 C ATOM 307 O LYS A 42 2.190 1.908 8.636 1.00 8.22 O ATOM 308 CB LYS A 42 1.316 -1.239 8.683 1.00 10.16 C ATOM 309 CG LYS A 42 0.889 -2.350 7.731 1.00 23.50 C ATOM 310 CD LYS A 42 1.755 -3.595 7.841 1.00 22.64 C ATOM 311 CE LYS A 42 1.432 -4.403 9.086 1.00 31.30 C ATOM 312 NZ LYS A 42 2.114 -5.739 9.068 1.00 26.98 N ATOM 313 N ASN A 43 0.973 1.321 10.440 1.00 7.43 N ATOM 314 CA ASN A 43 1.619 2.263 11.339 1.00 9.62 C ATOM 315 C ASN A 43 2.190 1.359 12.416 1.00 14.30 C ATOM 316 O ASN A 43 1.455 0.859 13.263 1.00 11.25 O ATOM 317 CB ASN A 43 0.626 3.235 11.974 1.00 9.88 C ATOM 318 CG ASN A 43 1.298 4.183 12.953 1.00 13.81 C ATOM 319 OD1 ASN A 43 2.522 4.166 13.111 1.00 8.07 O ATOM 320 ND2 ASN A 43 0.501 5.023 13.609 1.00 8.36 N ATOM 321 N LEU A 44 3.496 1.131 12.369 1.00 11.39 N ATOM 322 CA LEU A 44 4.147 0.265 13.342 1.00 14.27 C ATOM 323 C LEU A 44 4.399 0.970 14.668 1.00 18.61 C ATOM 324 O LEU A 44 4.749 0.322 15.653 1.00 14.85 O ATOM 325 CB LEU A 44 5.482 -0.226 12.784 1.00 13.35 C ATOM 326 CG LEU A 44 5.461 -0.805 11.370 1.00 11.12 C ATOM 327 CD1 LEU A 44 6.883 -1.119 10.920 1.00 12.92 C ATOM 328 CD2 LEU A 44 4.593 -2.049 11.335 1.00 16.20 C ATOM 329 N GLY A 45 4.213 2.288 14.685 1.00 13.63 N ATOM 330 CA GLY A 45 4.469 3.071 15.884 1.00 14.65 C ATOM 331 C GLY A 45 3.383 3.161 16.939 1.00 15.83 C ATOM 332 O GLY A 45 2.266 2.686 16.742 1.00 11.61 O ATOM 333 N GLY A 46 3.725 3.792 18.061 1.00 10.09 N ATOM 334 CA GLY A 46 2.787 3.944 19.164 1.00 9.87 C ATOM 335 C GLY A 46 2.008 5.249 19.145 1.00 7.31 C ATOM 336 O GLY A 46 1.200 5.515 20.040 1.00 13.84 O ATOM 337 N ILE A 47 2.263 6.070 18.131 1.00 8.48 N ATOM 338 CA ILE A 47 1.572 7.344 17.971 1.00 7.94 C ATOM 339 C ILE A 47 0.794 7.253 16.669 1.00 6.54 C ATOM 340 O ILE A 47 1.304 6.739 15.676 1.00 8.17 O ATOM 341 CB ILE A 47 2.565 8.520 17.894 1.00 8.05 C ATOM 342 CG1 ILE A 47 3.377 8.594 19.186 1.00 15.61 C ATOM 343 CG2 ILE A 47 1.814 9.820 17.650 1.00 11.95 C ATOM 344 CD1 ILE A 47 2.551 8.856 20.427 1.00 19.68 C ATOM 345 N GLY A 48 -0.446 7.728 16.681 1.00 6.40 N ATOM 346 CA GLY A 48 -1.260 7.662 15.482 1.00 6.15 C ATOM 347 C GLY A 48 -0.938 8.713 14.435 1.00 11.25 C ATOM 348 O GLY A 48 -0.191 9.665 14.685 1.00 10.47 O ATOM 349 N VAL A 49 -1.515 8.524 13.252 1.00 6.53 N ATOM 350 CA VAL A 49 -1.338 9.427 12.128 1.00 7.55 C ATOM 351 C VAL A 49 -2.718 9.826 11.629 1.00 11.11 C ATOM 352 O VAL A 49 -3.361 9.079 10.901 1.00 9.18 O ATOM 353 CB VAL A 49 -0.569 8.741 10.982 1.00 11.06 C ATOM 354 CG1 VAL A 49 -0.440 9.690 9.803 1.00 7.92 C ATOM 355 CG2 VAL A 49 0.819 8.316 11.485 1.00 10.19 C ATOM 356 N PRO A 50 -3.196 11.011 12.033 1.00 11.82 N ATOM 357 CA PRO A 50 -4.513 11.511 11.627 1.00 7.94 C ATOM 358 C PRO A 50 -4.713 11.606 10.123 1.00 11.42 C ATOM 359 O PRO A 50 -5.813 11.375 9.619 1.00 13.12 O ATOM 360 CB PRO A 50 -4.583 12.880 12.304 1.00 15.03 C ATOM 361 CG PRO A 50 -3.765 12.683 13.541 1.00 13.30 C ATOM 362 CD PRO A 50 -2.576 11.901 13.029 1.00 15.43 C ATOM 363 N SER A 51 -3.650 11.939 9.399 1.00 12.16 N ATOM 364 CA SER A 51 -3.760 12.079 7.955 1.00 11.44 C ATOM 365 C SER A 51 -2.432 11.998 7.213 1.00 10.77 C ATOM 366 O SER A 51 -1.480 12.693 7.551 1.00 11.29 O ATOM 367 CB SER A 51 -4.426 13.418 7.613 1.00 13.75 C ATOM 368 OG SER A 51 -4.653 13.532 6.214 1.00 21.82 O ATOM 369 N THR A 52 -2.375 11.134 6.206 1.00 11.56 N ATOM 370 CA THR A 52 -1.187 11.006 5.379 1.00 7.62 C ATOM 371 C THR A 52 -1.622 10.523 4.008 1.00 11.80 C ATOM 372 O THR A 52 -2.687 9.918 3.851 1.00 12.21 O ATOM 373 CB THR A 52 -0.143 10.028 5.961 1.00 11.83 C ATOM 374 OG1 THR A 52 1.079 10.145 5.214 1.00 11.38 O ATOM 375 CG2 THR A 52 -0.634 8.595 5.874 1.00 14.36 C ATOM 376 N LYS A 53 -0.801 10.806 3.007 1.00 10.16 N ATOM 377 CA LYS A 53 -1.129 10.420 1.648 1.00 9.45 C ATOM 378 C LYS A 53 -0.441 9.142 1.189 1.00 11.87 C ATOM 379 O LYS A 53 0.731 8.904 1.482 1.00 12.32 O ATOM 380 CB LYS A 53 -0.782 11.568 0.693 1.00 11.27 C ATOM 381 CG LYS A 53 -1.532 12.868 0.986 1.00 16.57 C ATOM 382 CD LYS A 53 -1.184 13.958 -0.019 1.00 26.28 C ATOM 383 CE LYS A 53 -1.963 15.242 0.245 1.00 37.73 C ATOM 384 NZ LYS A 53 -1.627 16.325 -0.729 1.00 44.02 N ATOM 385 N VAL A 54 -1.195 8.320 0.473 1.00 9.05 N ATOM 386 CA VAL A 54 -0.677 7.082 -0.081 1.00 7.19 C ATOM 387 C VAL A 54 -0.849 7.239 -1.592 1.00 10.72 C ATOM 388 O VAL A 54 -1.882 7.730 -2.063 1.00 8.60 O ATOM 389 CB VAL A 54 -1.477 5.851 0.416 1.00 11.70 C ATOM 390 CG1 VAL A 54 -0.951 4.578 -0.244 1.00 13.64 C ATOM 391 CG2 VAL A 54 -1.360 5.741 1.931 1.00 8.61 C ATOM 392 N ARG A 55 0.169 6.840 -2.343 1.00 9.01 N ATOM 393 CA ARG A 55 0.135 6.957 -3.787 1.00 8.79 C ATOM 394 C ARG A 55 0.639 5.686 -4.449 1.00 8.15 C ATOM 395 O ARG A 55 1.544 5.016 -3.940 1.00 13.45 O ATOM 396 CB ARG A 55 1.002 8.143 -4.245 1.00 7.05 C ATOM 397 CG ARG A 55 0.619 9.505 -3.649 1.00 10.82 C ATOM 398 CD ARG A 55 1.541 10.611 -4.168 1.00 18.47 C ATOM 399 NE ARG A 55 1.213 11.953 -3.675 1.00 20.64 N ATOM 400 CZ ARG A 55 1.525 12.420 -2.467 1.00 26.08 C ATOM 401 NH1 ARG A 55 2.176 11.659 -1.600 1.00 17.66 N ATOM 402 NH2 ARG A 55 1.205 13.664 -2.132 1.00 27.04 N ATOM 403 N VAL A 56 0.027 5.347 -5.578 1.00 7.55 N ATOM 404 CA VAL A 56 0.432 4.183 -6.354 1.00 7.23 C ATOM 405 C VAL A 56 0.842 4.695 -7.730 1.00 8.32 C ATOM 406 O VAL A 56 0.147 5.506 -8.340 1.00 10.24 O ATOM 407 CB VAL A 56 -0.712 3.141 -6.490 1.00 10.49 C ATOM 408 CG1 VAL A 56 -0.407 2.173 -7.633 1.00 11.79 C ATOM 409 CG2 VAL A 56 -0.846 2.358 -5.195 1.00 11.63 C ATOM 410 N TYR A 57 1.994 4.220 -8.188 1.00 12.83 N ATOM 411 CA TYR A 57 2.565 4.590 -9.474 1.00 15.13 C ATOM 412 C TYR A 57 2.758 3.336 -10.305 1.00 14.34 C ATOM 413 O TYR A 57 3.041 2.265 -9.769 1.00 15.33 O ATOM 414 CB TYR A 57 3.947 5.221 -9.290 1.00 11.00 C ATOM 415 CG TYR A 57 3.991 6.491 -8.479 1.00 10.65 C ATOM 416 CD1 TYR A 57 3.886 7.735 -9.095 1.00 7.55 C ATOM 417 CD2 TYR A 57 4.169 6.453 -7.096 1.00 9.56 C ATOM 418 CE1 TYR A 57 3.961 8.908 -8.362 1.00 12.17 C ATOM 419 CE2 TYR A 57 4.243 7.625 -6.354 1.00 13.44 C ATOM 420 CZ TYR A 57 4.139 8.849 -6.992 1.00 11.53 C ATOM 421 OH TYR A 57 4.212 10.006 -6.253 1.00 13.92 O ATOM 422 N ILE A 58 2.616 3.479 -11.615 1.00 11.20 N ATOM 423 CA ILE A 58 2.824 2.374 -12.538 1.00 11.04 C ATOM 424 C ILE A 58 3.848 2.914 -13.534 1.00 10.72 C ATOM 425 O ILE A 58 3.563 3.856 -14.269 1.00 12.22 O ATOM 426 CB ILE A 58 1.509 1.985 -13.233 1.00 12.29 C ATOM 427 CG1 ILE A 58 0.532 1.440 -12.183 1.00 15.96 C ATOM 428 CG2 ILE A 58 1.775 0.958 -14.328 1.00 17.25 C ATOM 429 CD1 ILE A 58 -0.824 1.049 -12.728 1.00 17.86 C ATOM 430 N ASN A 59 5.038 2.315 -13.538 1.00 9.40 N ATOM 431 CA ASN A 59 6.137 2.755 -14.395 1.00 12.36 C ATOM 432 C ASN A 59 6.423 4.248 -14.217 1.00 15.82 C ATOM 433 O ASN A 59 6.635 4.984 -15.184 1.00 15.15 O ATOM 434 CB ASN A 59 5.863 2.411 -15.866 1.00 12.07 C ATOM 435 CG ASN A 59 6.357 1.019 -16.234 1.00 14.11 C ATOM 436 OD1 ASN A 59 6.910 0.308 -15.393 1.00 15.55 O ATOM 437 ND2 ASN A 59 6.168 0.626 -17.490 1.00 15.92 N ATOM 438 N GLY A 60 6.417 4.681 -12.957 1.00 13.65 N ATOM 439 CA GLY A 60 6.714 6.064 -12.619 1.00 11.10 C ATOM 440 C GLY A 60 5.602 7.081 -12.751 1.00 13.75 C ATOM 441 O GLY A 60 5.741 8.206 -12.273 1.00 15.44 O ATOM 442 N THR A 61 4.506 6.706 -13.401 1.00 15.87 N ATOM 443 CA THR A 61 3.393 7.631 -13.574 1.00 15.62 C ATOM 444 C THR A 61 2.318 7.356 -12.524 1.00 12.35 C ATOM 445 O THR A 61 1.906 6.216 -12.333 1.00 9.94 O ATOM 446 CB THR A 61 2.794 7.510 -14.989 1.00 18.28 C ATOM 447 OG1 THR A 61 3.794 7.866 -15.956 1.00 18.15 O ATOM 448 CG2 THR A 61 1.591 8.436 -15.145 1.00 20.11 C ATOM 449 N LEU A 62 1.881 8.408 -11.841 1.00 10.81 N ATOM 450 CA LEU A 62 0.870 8.280 -10.803 1.00 9.56 C ATOM 451 C LEU A 62 -0.390 7.629 -11.347 1.00 14.32 C ATOM 452 O LEU A 62 -0.863 7.969 -12.436 1.00 10.77 O ATOM 453 CB LEU A 62 0.537 9.659 -10.217 1.00 11.14 C ATOM 454 CG LEU A 62 -0.427 9.735 -9.023 1.00 11.58 C ATOM 455 CD1 LEU A 62 0.178 9.037 -7.818 1.00 13.77 C ATOM 456 CD2 LEU A 62 -0.729 11.187 -8.700 1.00 15.60 C ATOM 457 N TYR A 63 -0.926 6.691 -10.576 1.00 9.25 N ATOM 458 CA TYR A 63 -2.131 5.977 -10.962 1.00 11.22 C ATOM 459 C TYR A 63 -3.293 6.269 -10.020 1.00 11.20 C ATOM 460 O TYR A 63 -4.381 6.624 -10.461 1.00 12.98 O ATOM 461 CB TYR A 63 -1.863 4.470 -10.992 1.00 9.88 C ATOM 462 CG TYR A 63 -3.058 3.660 -11.443 1.00 9.84 C ATOM 463 CD1 TYR A 63 -3.654 2.726 -10.597 1.00 12.52 C ATOM 464 CD2 TYR A 63 -3.599 3.835 -12.716 1.00 12.21 C ATOM 465 CE1 TYR A 63 -4.757 1.983 -11.008 1.00 16.01 C ATOM 466 CE2 TYR A 63 -4.701 3.100 -13.136 1.00 20.53 C ATOM 467 CZ TYR A 63 -5.275 2.176 -12.278 1.00 17.45 C ATOM 468 OH TYR A 63 -6.366 1.450 -12.696 1.00 16.44 O ATOM 469 N LYS A 64 -3.071 6.129 -8.718 1.00 10.78 N ATOM 470 CA LYS A 64 -4.156 6.377 -7.780 1.00 12.29 C ATOM 471 C LYS A 64 -3.638 6.969 -6.483 1.00 10.91 C ATOM 472 O LYS A 64 -2.496 6.731 -6.091 1.00 10.82 O ATOM 473 CB LYS A 64 -4.905 5.070 -7.500 1.00 10.51 C ATOM 474 CG LYS A 64 -6.225 5.229 -6.759 1.00 18.20 C ATOM 475 CD LYS A 64 -6.930 3.886 -6.639 1.00 13.97 C ATOM 476 CE LYS A 64 -8.245 4.001 -5.881 1.00 27.41 C ATOM 477 NZ LYS A 64 -8.923 2.680 -5.740 1.00 25.90 N ATOM 478 N ASN A 65 -4.481 7.755 -5.823 1.00 14.24 N ATOM 479 CA ASN A 65 -4.088 8.363 -4.565 1.00 16.34 C ATOM 480 C ASN A 65 -5.159 8.207 -3.499 1.00 12.78 C ATOM 481 O ASN A 65 -6.355 8.138 -3.795 1.00 15.99 O ATOM 482 CB ASN A 65 -3.730 9.844 -4.766 1.00 24.82 C ATOM 483 CG ASN A 65 -4.780 10.601 -5.540 1.00 38.70 C ATOM 484 OD1 ASN A 65 -5.942 10.666 -5.134 1.00 48.65 O ATOM 485 ND2 ASN A 65 -4.376 11.190 -6.665 1.00 26.18 N ATOM 486 N TRP A 66 -4.701 8.124 -2.256 1.00 9.22 N ATOM 487 CA TRP A 66 -5.562 7.965 -1.091 1.00 11.84 C ATOM 488 C TRP A 66 -5.067 8.881 0.013 1.00 14.00 C ATOM 489 O TRP A 66 -3.892 9.240 0.065 1.00 12.19 O ATOM 490 CB TRP A 66 -5.471 6.548 -0.531 1.00 10.72 C ATOM 491 CG TRP A 66 -5.963 5.442 -1.390 1.00 13.57 C ATOM 492 CD1 TRP A 66 -7.190 4.848 -1.332 1.00 13.79 C ATOM 493 CD2 TRP A 66 -5.207 4.709 -2.355 1.00 10.81 C ATOM 494 NE1 TRP A 66 -7.241 3.781 -2.192 1.00 17.02 N ATOM 495 CE2 TRP A 66 -6.037 3.674 -2.837 1.00 9.71 C ATOM 496 CE3 TRP A 66 -3.904 4.824 -2.861 1.00 11.58 C ATOM 497 CZ2 TRP A 66 -5.608 2.754 -3.797 1.00 14.18 C ATOM 498 CZ3 TRP A 66 -3.477 3.913 -3.813 1.00 15.77 C ATOM 499 CH2 TRP A 66 -4.329 2.889 -4.273 1.00 13.46 C ATOM 500 N THR A 67 -5.977 9.231 0.909 1.00 9.41 N ATOM 501 CA THR A 67 -5.657 10.040 2.074 1.00 13.21 C ATOM 502 C THR A 67 -6.173 9.159 3.203 1.00 15.87 C ATOM 503 O THR A 67 -7.380 8.936 3.306 1.00 16.47 O ATOM 504 CB THR A 67 -6.427 11.378 2.061 1.00 15.16 C ATOM 505 OG1 THR A 67 -5.866 12.245 1.069 1.00 19.37 O ATOM 506 CG2 THR A 67 -6.360 12.055 3.421 1.00 23.18 C ATOM 507 N VAL A 68 -5.278 8.635 4.037 1.00 8.65 N ATOM 508 CA VAL A 68 -5.724 7.756 5.110 1.00 12.44 C ATOM 509 C VAL A 68 -5.235 8.148 6.490 1.00 14.56 C ATOM 510 O VAL A 68 -4.330 8.967 6.639 1.00 9.01 O ATOM 511 CB VAL A 68 -5.289 6.291 4.866 1.00 17.45 C ATOM 512 CG1 VAL A 68 -5.722 5.842 3.484 1.00 23.60 C ATOM 513 CG2 VAL A 68 -3.792 6.154 5.040 1.00 18.55 C ATOM 514 N SER A 69 -5.873 7.561 7.497 1.00 8.66 N ATOM 515 CA SER A 69 -5.503 7.789 8.878 1.00 6.58 C ATOM 516 C SER A 69 -5.146 6.422 9.428 1.00 9.49 C ATOM 517 O SER A 69 -5.690 5.410 8.985 1.00 9.34 O ATOM 518 CB SER A 69 -6.670 8.379 9.673 1.00 10.93 C ATOM 519 OG SER A 69 -7.765 7.480 9.694 1.00 14.51 O ATOM 520 N LEU A 70 -4.212 6.379 10.374 1.00 10.01 N ATOM 521 CA LEU A 70 -3.808 5.113 10.971 1.00 9.36 C ATOM 522 C LEU A 70 -3.446 5.296 12.424 1.00 14.72 C ATOM 523 O LEU A 70 -2.529 6.048 12.758 1.00 14.32 O ATOM 524 CB LEU A 70 -2.606 4.519 10.235 1.00 7.55 C ATOM 525 CG LEU A 70 -2.844 3.991 8.822 1.00 13.29 C ATOM 526 CD1 LEU A 70 -1.491 3.747 8.160 1.00 14.30 C ATOM 527 CD2 LEU A 70 -3.670 2.718 8.860 1.00 11.80 C ATOM 528 N GLY A 71 -4.179 4.609 13.288 1.00 9.08 N ATOM 529 CA GLY A 71 -3.895 4.694 14.704 1.00 11.05 C ATOM 530 C GLY A 71 -2.650 3.882 14.995 1.00 10.33 C ATOM 531 O GLY A 71 -2.097 3.238 14.099 1.00 8.78 O ATOM 532 N PRO A 72 -2.173 3.900 16.242 1.00 10.25 N ATOM 533 CA PRO A 72 -0.975 3.128 16.581 1.00 11.83 C ATOM 534 C PRO A 72 -1.169 1.639 16.280 1.00 13.21 C ATOM 535 O PRO A 72 -2.229 1.070 16.553 1.00 8.92 O ATOM 536 CB PRO A 72 -0.783 3.418 18.073 1.00 10.10 C ATOM 537 CG PRO A 72 -2.156 3.784 18.549 1.00 15.13 C ATOM 538 CD PRO A 72 -2.709 4.606 17.417 1.00 13.46 C ATOM 539 N LYS A 73 -0.145 1.025 15.698 1.00 7.56 N ATOM 540 CA LYS A 73 -0.183 -0.388 15.362 1.00 8.71 C ATOM 541 C LYS A 73 -1.391 -0.776 14.511 1.00 12.79 C ATOM 542 O LYS A 73 -1.875 -1.901 14.604 1.00 20.53 O ATOM 543 CB LYS A 73 -0.158 -1.231 16.645 1.00 12.45 C ATOM 544 CG LYS A 73 1.142 -1.131 17.434 1.00 16.60 C ATOM 545 CD LYS A 73 1.153 -2.106 18.607 1.00 30.88 C ATOM 546 CE LYS A 73 2.487 -2.099 19.342 1.00 33.07 C ATOM 547 NZ LYS A 73 2.473 -2.983 20.546 1.00 46.02 N ATOM 548 N GLU A 74 -1.885 0.144 13.688 1.00 9.32 N ATOM 549 CA GLU A 74 -3.035 -0.157 12.837 1.00 10.52 C ATOM 550 C GLU A 74 -2.610 -0.407 11.390 1.00 15.84 C ATOM 551 O GLU A 74 -1.594 0.116 10.922 1.00 12.73 O ATOM 552 CB GLU A 74 -4.061 0.982 12.875 1.00 13.78 C ATOM 553 CG GLU A 74 -5.355 0.631 12.148 1.00 20.12 C ATOM 554 CD GLU A 74 -6.411 1.731 12.188 1.00 27.64 C ATOM 555 OE1 GLU A 74 -7.550 1.470 11.741 1.00 22.71 O ATOM 556 OE2 GLU A 74 -6.116 2.849 12.657 1.00 24.69 O ATOM 557 N GLU A 75 -3.389 -1.222 10.690 1.00 11.99 N ATOM 558 CA GLU A 75 -3.108 -1.534 9.298 1.00 10.33 C ATOM 559 C GLU A 75 -4.381 -1.399 8.490 1.00 8.70 C ATOM 560 O GLU A 75 -5.471 -1.711 8.973 1.00 9.26 O ATOM 561 CB GLU A 75 -2.578 -2.967 9.156 1.00 12.39 C ATOM 562 CG GLU A 75 -2.319 -3.379 7.707 1.00 16.25 C ATOM 563 CD GLU A 75 -1.841 -4.815 7.566 1.00 28.49 C ATOM 564 OE1 GLU A 75 -1.573 -5.238 6.421 1.00 20.24 O ATOM 565 OE2 GLU A 75 -1.733 -5.524 8.592 1.00 28.65 O ATOM 566 N LYS A 76 -4.246 -0.911 7.266 1.00 8.14 N ATOM 567 CA LYS A 76 -5.394 -0.780 6.384 1.00 9.13 C ATOM 568 C LYS A 76 -5.028 -1.339 5.024 1.00 14.56 C ATOM 569 O LYS A 76 -3.878 -1.243 4.586 1.00 13.24 O ATOM 570 CB LYS A 76 -5.826 0.683 6.261 1.00 13.35 C ATOM 571 CG LYS A 76 -6.569 1.201 7.481 1.00 10.37 C ATOM 572 CD LYS A 76 -7.025 2.649 7.318 1.00 12.60 C ATOM 573 CE LYS A 76 -7.860 3.075 8.520 1.00 13.06 C ATOM 574 NZ LYS A 76 -8.268 4.506 8.477 1.00 15.18 N ATOM 575 N VAL A 77 -6.011 -1.949 4.372 1.00 11.48 N ATOM 576 CA VAL A 77 -5.812 -2.525 3.057 1.00 15.50 C ATOM 577 C VAL A 77 -6.554 -1.671 2.045 1.00 17.07 C ATOM 578 O VAL A 77 -7.781 -1.549 2.085 1.00 16.80 O ATOM 579 CB VAL A 77 -6.338 -3.981 2.985 1.00 16.19 C ATOM 580 CG1 VAL A 77 -6.094 -4.556 1.593 1.00 17.50 C ATOM 581 CG2 VAL A 77 -5.641 -4.834 4.034 1.00 15.89 C ATOM 582 N LEU A 78 -5.788 -1.050 1.159 1.00 13.97 N ATOM 583 CA LEU A 78 -6.339 -0.200 0.117 1.00 20.97 C ATOM 584 C LEU A 78 -6.349 -1.036 -1.148 1.00 16.72 C ATOM 585 O LEU A 78 -5.430 -1.815 -1.388 1.00 22.46 O ATOM 586 CB LEU A 78 -5.450 1.026 -0.082 1.00 17.77 C ATOM 587 CG LEU A 78 -5.116 1.829 1.177 1.00 17.72 C ATOM 588 CD1 LEU A 78 -4.279 3.034 0.782 1.00 18.97 C ATOM 589 CD2 LEU A 78 -6.396 2.268 1.872 1.00 19.56 C ATOM 590 N THR A 79 -7.382 -0.888 -1.961 1.00 15.79 N ATOM 591 CA THR A 79 -7.448 -1.674 -3.177 1.00 14.52 C ATOM 592 C THR A 79 -7.556 -0.812 -4.418 1.00 15.75 C ATOM 593 O THR A 79 -7.970 0.346 -4.357 1.00 18.04 O ATOM 594 CB THR A 79 -8.654 -2.627 -3.155 1.00 23.57 C ATOM 595 OG1 THR A 79 -9.860 -1.859 -3.071 1.00 26.88 O ATOM 596 CG2 THR A 79 -8.568 -3.567 -1.963 1.00 28.81 C ATOM 597 N PHE A 80 -7.160 -1.385 -5.543 1.00 17.98 N ATOM 598 CA PHE A 80 -7.252 -0.700 -6.822 1.00 20.03 C ATOM 599 C PHE A 80 -7.210 -1.744 -7.924 1.00 27.30 C ATOM 600 O PHE A 80 -6.468 -2.727 -7.838 1.00 27.12 O ATOM 601 CB PHE A 80 -6.117 0.325 -7.001 1.00 20.54 C ATOM 602 CG PHE A 80 -4.750 -0.284 -7.174 1.00 18.53 C ATOM 603 CD1 PHE A 80 -3.950 -0.560 -6.068 1.00 15.60 C ATOM 604 CD2 PHE A 80 -4.256 -0.566 -8.448 1.00 24.73 C ATOM 605 CE1 PHE A 80 -2.675 -1.106 -6.227 1.00 16.28 C ATOM 606 CE2 PHE A 80 -2.984 -1.113 -8.619 1.00 17.65 C ATOM 607 CZ PHE A 80 -2.191 -1.383 -7.506 1.00 21.10 C ATOM 608 N ASN A 81 -8.031 -1.544 -8.947 1.00 21.96 N ATOM 609 CA ASN A 81 -8.067 -2.472 -10.067 1.00 28.10 C ATOM 610 C ASN A 81 -7.239 -1.901 -11.203 1.00 26.15 C ATOM 611 O ASN A 81 -7.114 -0.686 -11.345 1.00 19.98 O ATOM 612 CB ASN A 81 -9.504 -2.695 -10.546 1.00 31.35 C ATOM 613 CG ASN A 81 -10.419 -3.192 -9.441 1.00 38.80 C ATOM 614 OD1 ASN A 81 -10.013 -3.985 -8.586 1.00 41.94 O ATOM 615 ND2 ASN A 81 -11.669 -2.738 -9.463 1.00 38.86 N ATOM 616 N TRP A 82 -6.667 -2.787 -12.008 1.00 23.80 N ATOM 617 CA TRP A 82 -5.857 -2.368 -13.137 1.00 28.95 C ATOM 618 C TRP A 82 -6.037 -3.308 -14.320 1.00 32.01 C ATOM 619 O TRP A 82 -5.776 -4.509 -14.223 1.00 33.03 O ATOM 620 CB TRP A 82 -4.381 -2.313 -12.743 1.00 26.12 C ATOM 621 CG TRP A 82 -3.473 -1.927 -13.875 1.00 25.94 C ATOM 622 CD1 TRP A 82 -3.681 -0.936 -14.794 1.00 25.42 C ATOM 623 CD2 TRP A 82 -2.192 -2.489 -14.176 1.00 18.62 C ATOM 624 NE1 TRP A 82 -2.606 -0.846 -15.647 1.00 22.97 N ATOM 625 CE2 TRP A 82 -1.677 -1.788 -15.291 1.00 17.99 C ATOM 626 CE3 TRP A 82 -1.427 -3.519 -13.613 1.00 18.80 C ATOM 627 CZ2 TRP A 82 -0.431 -2.081 -15.851 1.00 12.30 C ATOM 628 CZ3 TRP A 82 -0.186 -3.811 -14.168 1.00 21.59 C ATOM 629 CH2 TRP A 82 0.299 -3.092 -15.279 1.00 16.02 C ATOM 630 N THR A 83 -6.485 -2.745 -15.436 1.00 24.93 N ATOM 631 CA THR A 83 -6.695 -3.511 -16.654 1.00 29.30 C ATOM 632 C THR A 83 -5.689 -3.036 -17.696 1.00 27.51 C ATOM 633 O THR A 83 -5.938 -2.059 -18.406 1.00 32.52 O ATOM 634 CB THR A 83 -8.119 -3.303 -17.203 1.00 29.33 C ATOM 635 OG1 THR A 83 -9.074 -3.547 -16.161 1.00 32.05 O ATOM 636 CG2 THR A 83 -8.385 -4.261 -18.355 1.00 32.37 C ATOM 637 N PRO A 84 -4.527 -3.710 -17.784 1.00 21.54 N ATOM 638 CA PRO A 84 -3.457 -3.380 -18.732 1.00 19.78 C ATOM 639 C PRO A 84 -3.945 -3.392 -20.176 1.00 26.86 C ATOM 640 O PRO A 84 -4.802 -4.199 -20.539 1.00 27.11 O ATOM 641 CB PRO A 84 -2.423 -4.477 -18.487 1.00 20.08 C ATOM 642 CG PRO A 84 -2.622 -4.820 -17.061 1.00 23.43 C ATOM 643 CD PRO A 84 -4.122 -4.830 -16.917 1.00 26.29 C ATOM 644 N THR A 85 -3.384 -2.502 -20.992 1.00 26.76 N ATOM 645 CA THR A 85 -3.746 -2.393 -22.403 1.00 24.78 C ATOM 646 C THR A 85 -2.610 -2.867 -23.309 1.00 30.23 C ATOM 647 O THR A 85 -2.838 -3.232 -24.464 1.00 36.59 O ATOM 648 CB THR A 85 -4.071 -0.938 -22.780 1.00 22.68 C ATOM 649 OG1 THR A 85 -2.922 -0.118 -22.536 1.00 24.66 O ATOM 650 CG2 THR A 85 -5.240 -0.416 -21.957 1.00 27.23 C ATOM 651 N GLN A 86 -1.389 -2.857 -22.782 1.00 27.27 N ATOM 652 CA GLN A 86 -0.209 -3.282 -23.535 1.00 39.82 C ATOM 653 C GLN A 86 0.604 -4.278 -22.714 1.00 39.71 C ATOM 654 O GLN A 86 0.521 -4.290 -21.486 1.00 42.03 O ATOM 655 CB GLN A 86 0.673 -2.073 -23.871 1.00 43.13 C ATOM 656 CG GLN A 86 0.042 -1.051 -24.807 1.00 48.64 C ATOM 657 CD GLN A 86 -0.148 -1.583 -26.216 1.00 55.36 C ATOM 658 OE1 GLN A 86 -0.905 -2.528 -26.438 1.00 59.31 O ATOM 659 NE2 GLN A 86 0.545 -0.978 -27.177 1.00 57.40 N ATOM 660 N GLU A 87 1.395 -5.108 -23.389 1.00 42.23 N ATOM 661 CA GLU A 87 2.217 -6.094 -22.695 1.00 44.64 C ATOM 662 C GLU A 87 3.573 -5.508 -22.324 1.00 43.62 C ATOM 663 O GLU A 87 3.942 -4.430 -22.791 1.00 47.88 O ATOM 664 CB GLU A 87 2.431 -7.333 -23.567 1.00 49.67 C ATOM 665 CG GLU A 87 3.234 -7.071 -24.829 1.00 56.69 C ATOM 666 CD GLU A 87 3.690 -8.349 -25.506 1.00 61.88 C ATOM 667 OE1 GLU A 87 4.302 -8.262 -26.592 1.00 65.97 O ATOM 668 OE2 GLU A 87 3.442 -9.441 -24.950 1.00 61.97 O ATOM 669 N GLY A 88 4.313 -6.227 -21.486 1.00 46.03 N ATOM 670 CA GLY A 88 5.625 -5.765 -21.068 1.00 45.01 C ATOM 671 C GLY A 88 5.846 -5.892 -19.573 1.00 43.99 C ATOM 672 O GLY A 88 4.958 -6.331 -18.839 1.00 37.53 O HETATM 673 N MSE A 89 7.039 -5.510 -19.124 1.00 43.47 N HETATM 674 CA MSE A 89 7.392 -5.569 -17.709 1.00 46.84 C HETATM 675 C MSE A 89 7.115 -4.219 -17.054 1.00 46.00 C HETATM 676 O MSE A 89 7.776 -3.226 -17.354 1.00 47.12 O HETATM 677 CB MSE A 89 8.872 -5.922 -17.545 1.00 47.36 C HETATM 678 CG MSE A 89 9.332 -6.015 -16.098 1.00 53.62 C HETATM 679 SE MSE A 89 8.481 -7.467 -15.139 1.00 77.35 HETATM 680 CE MSE A 89 9.902 -8.777 -15.284 1.00 56.34 C ATOM 681 N TYR A 90 6.139 -4.196 -16.152 1.00 41.26 N ATOM 682 CA TYR A 90 5.752 -2.974 -15.460 1.00 30.81 C ATOM 683 C TYR A 90 6.180 -2.981 -13.995 1.00 33.51 C ATOM 684 O TYR A 90 6.174 -4.024 -13.342 1.00 28.31 O ATOM 685 CB TYR A 90 4.234 -2.793 -15.549 1.00 40.37 C ATOM 686 CG TYR A 90 3.714 -2.584 -16.954 1.00 40.05 C ATOM 687 CD1 TYR A 90 3.470 -1.302 -17.445 1.00 40.49 C ATOM 688 CD2 TYR A 90 3.470 -3.668 -17.797 1.00 43.07 C ATOM 689 CE1 TYR A 90 2.994 -1.102 -18.739 1.00 45.22 C ATOM 690 CE2 TYR A 90 2.995 -3.482 -19.094 1.00 44.67 C ATOM 691 CZ TYR A 90 2.758 -2.198 -19.558 1.00 47.54 C ATOM 692 OH TYR A 90 2.285 -2.010 -20.838 1.00 53.64 O ATOM 693 N ARG A 91 6.554 -1.810 -13.487 1.00 23.84 N ATOM 694 CA ARG A 91 6.969 -1.667 -12.094 1.00 24.05 C ATOM 695 C ARG A 91 5.938 -0.842 -11.331 1.00 20.17 C ATOM 696 O ARG A 91 5.672 0.309 -11.674 1.00 15.14 O ATOM 697 CB ARG A 91 8.338 -0.984 -12.012 1.00 24.05 C ATOM 698 CG ARG A 91 8.782 -0.657 -10.586 1.00 28.45 C ATOM 699 CD ARG A 91 10.179 -0.031 -10.541 1.00 26.42 C ATOM 700 NE ARG A 91 11.219 -0.938 -11.027 1.00 45.00 N ATOM 701 CZ ARG A 91 11.592 -1.054 -12.300 1.00 46.54 C ATOM 702 NH1 ARG A 91 11.012 -0.314 -13.236 1.00 47.75 N ATOM 703 NH2 ARG A 91 12.549 -1.910 -12.638 1.00 36.46 N ATOM 704 N ILE A 92 5.342 -1.442 -10.307 1.00 16.17 N ATOM 705 CA ILE A 92 4.351 -0.744 -9.496 1.00 11.82 C ATOM 706 C ILE A 92 5.049 -0.236 -8.238 1.00 12.15 C ATOM 707 O ILE A 92 5.766 -0.984 -7.576 1.00 16.24 O ATOM 708 CB ILE A 92 3.183 -1.678 -9.056 1.00 10.10 C ATOM 709 CG1 ILE A 92 2.369 -2.138 -10.271 1.00 18.26 C ATOM 710 CG2 ILE A 92 2.231 -0.926 -8.128 1.00 18.01 C ATOM 711 CD1 ILE A 92 3.144 -2.930 -11.287 1.00 29.12 C ATOM 712 N ASN A 93 4.855 1.041 -7.927 1.00 9.83 N ATOM 713 CA ASN A 93 5.439 1.626 -6.735 1.00 10.73 C ATOM 714 C ASN A 93 4.310 2.151 -5.873 1.00 11.58 C ATOM 715 O ASN A 93 3.300 2.632 -6.380 1.00 11.69 O ATOM 716 CB ASN A 93 6.381 2.796 -7.067 1.00 11.36 C ATOM 717 CG ASN A 93 7.755 2.341 -7.532 1.00 10.53 C ATOM 718 OD1 ASN A 93 8.158 2.608 -8.662 1.00 14.37 O ATOM 719 ND2 ASN A 93 8.482 1.656 -6.656 1.00 12.36 N ATOM 720 N ALA A 94 4.479 2.038 -4.562 1.00 11.31 N ATOM 721 CA ALA A 94 3.492 2.542 -3.627 1.00 7.72 C ATOM 722 C ALA A 94 4.281 3.352 -2.613 1.00 11.67 C ATOM 723 O ALA A 94 5.352 2.933 -2.174 1.00 12.46 O ATOM 724 CB ALA A 94 2.763 1.393 -2.947 1.00 11.25 C ATOM 725 N THR A 95 3.775 4.526 -2.263 1.00 7.58 N ATOM 726 CA THR A 95 4.466 5.367 -1.297 1.00 6.14 C ATOM 727 C THR A 95 3.505 5.905 -0.254 1.00 10.51 C ATOM 728 O THR A 95 2.316 6.085 -0.520 1.00 10.80 O ATOM 729 CB THR A 95 5.134 6.585 -1.970 1.00 10.43 C ATOM 730 OG1 THR A 95 4.124 7.506 -2.407 1.00 11.19 O ATOM 731 CG2 THR A 95 5.958 6.148 -3.175 1.00 10.70 C ATOM 732 N VAL A 96 4.026 6.160 0.938 1.00 7.09 N ATOM 733 CA VAL A 96 3.218 6.733 1.999 1.00 6.70 C ATOM 734 C VAL A 96 4.039 7.884 2.581 1.00 8.75 C ATOM 735 O VAL A 96 5.249 7.769 2.770 1.00 8.51 O ATOM 736 CB VAL A 96 2.834 5.677 3.065 1.00 7.74 C ATOM 737 CG1 VAL A 96 4.078 5.074 3.697 1.00 9.65 C ATOM 738 CG2 VAL A 96 1.943 6.314 4.122 1.00 4.59 C ATOM 739 N ASP A 97 3.363 9.001 2.834 1.00 7.95 N ATOM 740 CA ASP A 97 3.997 10.219 3.323 1.00 10.63 C ATOM 741 C ASP A 97 5.203 10.573 2.467 1.00 10.27 C ATOM 742 O ASP A 97 6.283 10.864 2.980 1.00 10.33 O ATOM 743 CB ASP A 97 4.442 10.113 4.782 1.00 17.01 C ATOM 744 CG ASP A 97 4.924 11.450 5.323 1.00 13.48 C ATOM 745 OD1 ASP A 97 4.383 12.481 4.871 1.00 12.86 O ATOM 746 OD2 ASP A 97 5.820 11.484 6.193 1.00 11.66 O ATOM 747 N GLU A 98 5.014 10.555 1.156 1.00 7.46 N ATOM 748 CA GLU A 98 6.098 10.870 0.245 1.00 13.62 C ATOM 749 C GLU A 98 6.616 12.290 0.456 1.00 14.72 C ATOM 750 O GLU A 98 7.795 12.559 0.230 1.00 21.59 O ATOM 751 CB GLU A 98 5.629 10.693 -1.197 1.00 13.82 C ATOM 752 CG GLU A 98 6.752 10.411 -2.163 1.00 16.81 C ATOM 753 CD GLU A 98 6.258 10.259 -3.583 1.00 20.48 C ATOM 754 OE1 GLU A 98 5.221 9.589 -3.784 1.00 16.03 O ATOM 755 OE2 GLU A 98 6.912 10.799 -4.496 1.00 23.07 O ATOM 756 N GLU A 99 5.737 13.196 0.890 1.00 12.93 N ATOM 757 CA GLU A 99 6.118 14.595 1.130 1.00 20.92 C ATOM 758 C GLU A 99 6.790 14.747 2.490 1.00 18.10 C ATOM 759 O GLU A 99 7.179 15.845 2.888 1.00 16.19 O ATOM 760 CB GLU A 99 4.888 15.504 1.078 1.00 23.57 C ATOM 761 CG GLU A 99 3.736 15.025 1.943 1.00 34.31 C ATOM 762 CD GLU A 99 2.763 14.144 1.179 1.00 40.31 C ATOM 763 OE1 GLU A 99 2.040 14.683 0.311 1.00 48.11 O ATOM 764 OE2 GLU A 99 2.723 12.920 1.438 1.00 29.60 O ATOM 765 N ASN A 100 6.927 13.620 3.180 1.00 14.73 N ATOM 766 CA ASN A 100 7.527 13.546 4.502 1.00 17.46 C ATOM 767 C ASN A 100 7.102 14.665 5.440 1.00 16.64 C ATOM 768 O ASN A 100 7.902 15.513 5.846 1.00 19.23 O ATOM 769 CB ASN A 100 9.049 13.488 4.404 1.00 24.48 C ATOM 770 CG ASN A 100 9.698 13.216 5.747 1.00 27.66 C ATOM 771 OD1 ASN A 100 9.138 12.495 6.597 1.00 15.58 O ATOM 772 ND2 ASN A 100 10.886 13.775 5.949 1.00 37.07 N ATOM 773 N THR A 101 5.821 14.649 5.782 1.00 14.19 N ATOM 774 CA THR A 101 5.257 15.633 6.692 1.00 15.40 C ATOM 775 C THR A 101 5.018 14.975 8.052 1.00 17.76 C ATOM 776 O THR A 101 4.522 15.610 8.983 1.00 14.49 O ATOM 777 CB THR A 101 3.931 16.200 6.139 1.00 16.60 C ATOM 778 OG1 THR A 101 3.039 15.124 5.827 1.00 22.73 O ATOM 779 CG2 THR A 101 4.190 17.015 4.875 1.00 24.39 C ATOM 780 N VAL A 102 5.384 13.699 8.161 1.00 13.06 N ATOM 781 CA VAL A 102 5.220 12.948 9.403 1.00 10.80 C ATOM 782 C VAL A 102 6.568 12.416 9.886 1.00 8.04 C ATOM 783 O VAL A 102 7.217 11.658 9.176 1.00 10.93 O ATOM 784 CB VAL A 102 4.269 11.739 9.213 1.00 11.60 C ATOM 785 CG1 VAL A 102 4.070 11.019 10.536 1.00 13.50 C ATOM 786 CG2 VAL A 102 2.933 12.205 8.651 1.00 15.10 C ATOM 787 N VAL A 103 6.994 12.828 11.080 1.00 10.68 N ATOM 788 CA VAL A 103 8.263 12.348 11.635 1.00 12.10 C ATOM 789 C VAL A 103 8.036 10.930 12.128 1.00 8.66 C ATOM 790 O VAL A 103 7.191 10.703 12.985 1.00 9.57 O ATOM 791 CB VAL A 103 8.740 13.235 12.806 1.00 16.35 C ATOM 792 CG1 VAL A 103 9.985 12.622 13.463 1.00 10.53 C ATOM 793 CG2 VAL A 103 9.070 14.629 12.282 1.00 21.40 C ATOM 794 N GLU A 104 8.791 9.978 11.583 1.00 11.00 N ATOM 795 CA GLU A 104 8.639 8.574 11.954 1.00 9.47 C ATOM 796 C GLU A 104 9.931 7.945 12.438 1.00 9.44 C ATOM 797 O GLU A 104 11.010 8.536 12.358 1.00 9.67 O ATOM 798 CB GLU A 104 8.180 7.744 10.756 1.00 9.83 C ATOM 799 CG GLU A 104 6.998 8.278 9.974 1.00 12.79 C ATOM 800 CD GLU A 104 6.994 7.746 8.550 1.00 9.44 C ATOM 801 OE1 GLU A 104 7.146 6.523 8.370 1.00 10.98 O ATOM 802 OE2 GLU A 104 6.844 8.547 7.609 1.00 9.90 O ATOM 803 N LEU A 105 9.799 6.711 12.905 1.00 9.15 N ATOM 804 CA LEU A 105 10.936 5.934 13.374 1.00 10.75 C ATOM 805 C LEU A 105 11.827 5.580 12.184 1.00 9.15 C ATOM 806 O LEU A 105 13.025 5.352 12.342 1.00 11.05 O ATOM 807 CB LEU A 105 10.452 4.638 14.024 1.00 13.15 C ATOM 808 CG LEU A 105 9.488 4.756 15.202 1.00 16.11 C ATOM 809 CD1 LEU A 105 8.922 3.382 15.525 1.00 23.14 C ATOM 810 CD2 LEU A 105 10.213 5.340 16.407 1.00 21.69 C ATOM 811 N ASN A 106 11.239 5.539 10.993 1.00 8.25 N ATOM 812 CA ASN A 106 11.982 5.189 9.789 1.00 7.19 C ATOM 813 C ASN A 106 11.310 5.836 8.578 1.00 10.64 C ATOM 814 O ASN A 106 10.104 5.694 8.380 1.00 9.45 O ATOM 815 CB ASN A 106 12.006 3.663 9.641 1.00 10.26 C ATOM 816 CG ASN A 106 12.892 3.189 8.501 1.00 14.03 C ATOM 817 OD1 ASN A 106 13.425 3.988 7.727 1.00 15.13 O ATOM 818 ND2 ASN A 106 13.046 1.873 8.390 1.00 11.22 N ATOM 819 N GLU A 107 12.086 6.570 7.787 1.00 10.59 N ATOM 820 CA GLU A 107 11.544 7.225 6.595 1.00 13.96 C ATOM 821 C GLU A 107 11.971 6.437 5.357 1.00 16.73 C ATOM 822 O GLU A 107 11.598 6.773 4.229 1.00 17.06 O ATOM 823 CB GLU A 107 12.065 8.669 6.479 1.00 10.99 C ATOM 824 CG GLU A 107 12.059 9.486 7.775 1.00 15.96 C ATOM 825 CD GLU A 107 10.667 9.807 8.301 1.00 24.47 C ATOM 826 OE1 GLU A 107 10.570 10.347 9.432 1.00 22.86 O ATOM 827 OE2 GLU A 107 9.675 9.532 7.590 1.00 18.55 O ATOM 828 N ASN A 108 12.740 5.375 5.574 1.00 15.35 N ATOM 829 CA ASN A 108 13.239 4.571 4.472 1.00 11.98 C ATOM 830 C ASN A 108 12.461 3.285 4.187 1.00 14.37 C ATOM 831 O ASN A 108 12.886 2.467 3.373 1.00 19.68 O ATOM 832 CB ASN A 108 14.726 4.261 4.700 1.00 13.81 C ATOM 833 CG ASN A 108 15.552 5.520 4.939 1.00 19.53 C ATOM 834 OD1 ASN A 108 15.985 5.797 6.065 1.00 15.57 O ATOM 835 ND2 ASN A 108 15.753 6.303 3.881 1.00 18.04 N ATOM 836 N ASN A 109 11.319 3.110 4.847 1.00 11.73 N ATOM 837 CA ASN A 109 10.482 1.934 4.620 1.00 13.10 C ATOM 838 C ASN A 109 9.108 2.418 4.160 1.00 11.39 C ATOM 839 O ASN A 109 8.092 1.738 4.333 1.00 9.44 O ATOM 840 CB ASN A 109 10.353 1.094 5.902 1.00 15.49 C ATOM 841 CG ASN A 109 9.731 1.865 7.059 1.00 13.92 C ATOM 842 OD1 ASN A 109 9.534 3.074 6.978 1.00 10.80 O ATOM 843 ND2 ASN A 109 9.432 1.161 8.150 1.00 10.20 N ATOM 844 N ASN A 110 9.098 3.600 3.553 1.00 9.13 N ATOM 845 CA ASN A 110 7.869 4.224 3.077 1.00 8.90 C ATOM 846 C ASN A 110 7.613 3.996 1.595 1.00 6.69 C ATOM 847 O ASN A 110 6.689 4.579 1.033 1.00 10.10 O ATOM 848 CB ASN A 110 7.914 5.728 3.358 1.00 10.02 C ATOM 849 CG ASN A 110 7.782 6.050 4.829 1.00 10.86 C ATOM 850 OD1 ASN A 110 8.456 5.458 5.668 1.00 11.91 O ATOM 851 ND2 ASN A 110 6.918 7.002 5.149 1.00 8.43 N ATOM 852 N VAL A 111 8.419 3.152 0.959 1.00 10.00 N ATOM 853 CA VAL A 111 8.249 2.884 -0.466 1.00 10.99 C ATOM 854 C VAL A 111 8.242 1.390 -0.776 1.00 11.72 C ATOM 855 O VAL A 111 9.100 0.645 -0.298 1.00 12.56 O ATOM 856 CB VAL A 111 9.375 3.547 -1.288 1.00 15.15 C ATOM 857 CG1 VAL A 111 9.187 3.242 -2.766 1.00 21.19 C ATOM 858 CG2 VAL A 111 9.379 5.050 -1.052 1.00 13.55 C ATOM 859 N ALA A 112 7.269 0.968 -1.579 1.00 11.81 N ATOM 860 CA ALA A 112 7.134 -0.423 -1.989 1.00 12.35 C ATOM 861 C ALA A 112 7.367 -0.531 -3.494 1.00 15.28 C ATOM 862 O ALA A 112 7.054 0.391 -4.256 1.00 14.62 O ATOM 863 CB ALA A 112 5.742 -0.945 -1.640 1.00 14.29 C ATOM 864 N THR A 113 7.928 -1.658 -3.915 1.00 14.44 N ATOM 865 CA THR A 113 8.197 -1.903 -5.324 1.00 15.85 C ATOM 866 C THR A 113 7.646 -3.283 -5.654 1.00 18.21 C ATOM 867 O THR A 113 7.900 -4.248 -4.935 1.00 21.15 O ATOM 868 CB THR A 113 9.712 -1.858 -5.615 1.00 15.15 C ATOM 869 OG1 THR A 113 10.244 -0.611 -5.150 1.00 23.19 O ATOM 870 CG2 THR A 113 9.975 -1.981 -7.111 1.00 26.45 C ATOM 871 N PHE A 114 6.876 -3.366 -6.730 1.00 13.45 N ATOM 872 CA PHE A 114 6.275 -4.623 -7.142 1.00 17.90 C ATOM 873 C PHE A 114 6.265 -4.680 -8.664 1.00 19.65 C ATOM 874 O PHE A 114 5.718 -3.799 -9.328 1.00 22.45 O ATOM 875 CB PHE A 114 4.852 -4.712 -6.581 1.00 20.82 C ATOM 876 CG PHE A 114 4.251 -6.084 -6.649 1.00 23.11 C ATOM 877 CD1 PHE A 114 3.749 -6.582 -7.846 1.00 31.10 C ATOM 878 CD2 PHE A 114 4.202 -6.888 -5.513 1.00 25.12 C ATOM 879 CE1 PHE A 114 3.205 -7.862 -7.916 1.00 36.31 C ATOM 880 CE2 PHE A 114 3.660 -8.172 -5.570 1.00 23.99 C ATOM 881 CZ PHE A 114 3.161 -8.660 -6.776 1.00 27.99 C ATOM 882 N ASP A 115 6.886 -5.719 -9.209 1.00 25.34 N ATOM 883 CA ASP A 115 6.973 -5.902 -10.650 1.00 22.79 C ATOM 884 C ASP A 115 5.873 -6.817 -11.187 1.00 23.93 C ATOM 885 O ASP A 115 5.597 -7.876 -10.621 1.00 24.41 O ATOM 886 CB ASP A 115 8.358 -6.451 -10.995 1.00 19.11 C ATOM 887 CG ASP A 115 9.463 -5.456 -10.684 1.00 31.02 C ATOM 888 OD1 ASP A 115 10.492 -5.852 -10.094 1.00 35.45 O ATOM 889 OD2 ASP A 115 9.303 -4.264 -11.032 1.00 34.06 O ATOM 890 N VAL A 116 5.249 -6.395 -12.283 1.00 24.58 N ATOM 891 CA VAL A 116 4.172 -7.157 -12.904 1.00 21.99 C ATOM 892 C VAL A 116 4.450 -7.394 -14.383 1.00 29.07 C ATOM 893 O VAL A 116 4.784 -6.465 -15.118 1.00 29.15 O ATOM 894 CB VAL A 116 2.820 -6.418 -12.775 1.00 26.69 C ATOM 895 CG1 VAL A 116 1.724 -7.209 -13.475 1.00 22.94 C ATOM 896 CG2 VAL A 116 2.474 -6.221 -11.308 1.00 20.35 C ATOM 897 N SER A 117 4.307 -8.639 -14.819 1.00 30.04 N ATOM 898 CA SER A 117 4.541 -8.975 -16.216 1.00 34.80 C ATOM 899 C SER A 117 3.222 -9.135 -16.967 1.00 39.21 C ATOM 900 O SER A 117 2.474 -10.085 -16.728 1.00 36.93 O ATOM 901 CB SER A 117 5.354 -10.266 -16.320 1.00 30.21 C ATOM 902 OG SER A 117 5.636 -10.577 -17.673 1.00 39.26 O ATOM 903 N VAL A 118 2.939 -8.197 -17.867 1.00 31.76 N ATOM 904 CA VAL A 118 1.715 -8.238 -18.661 1.00 34.95 C ATOM 905 C VAL A 118 1.980 -8.987 -19.962 1.00 34.19 C ATOM 906 O VAL A 118 2.872 -8.620 -20.725 1.00 36.56 O ATOM 907 CB VAL A 118 1.209 -6.817 -18.999 1.00 37.60 C ATOM 908 CG1 VAL A 118 -0.075 -6.899 -19.814 1.00 31.29 C ATOM 909 CG2 VAL A 118 0.972 -6.032 -17.718 1.00 36.67 C ATOM 910 N VAL A 119 1.204 -10.036 -20.209 1.00 36.34 N ATOM 911 CA VAL A 119 1.373 -10.838 -21.415 1.00 39.55 C ATOM 912 C VAL A 119 0.074 -10.946 -22.208 1.00 37.18 C ATOM 913 O VAL A 119 -0.953 -11.371 -21.681 1.00 36.48 O ATOM 914 CB VAL A 119 1.856 -12.257 -21.063 1.00 38.51 C ATOM 915 CG1 VAL A 119 2.210 -13.017 -22.331 1.00 41.76 C ATOM 916 CG2 VAL A 119 3.054 -12.177 -20.129 1.00 35.89 C TER 918 VAL A 119 ATOM 918 N THR B 12 8.371 -21.991 -15.437 1.00 45.09 N ATOM 919 CA THR B 12 7.676 -22.444 -16.673 1.00 42.92 C ATOM 920 C THR B 12 7.106 -23.848 -16.484 1.00 40.79 C ATOM 921 O THR B 12 7.611 -24.818 -17.047 1.00 52.00 O ATOM 922 CB THR B 12 8.639 -22.451 -17.877 1.00 45.36 C ATOM 923 OG1 THR B 12 9.289 -21.178 -17.974 1.00 42.56 O ATOM 924 CG2 THR B 12 7.873 -22.717 -19.169 1.00 46.32 C ATOM 925 N THR B 13 6.054 -23.941 -15.679 1.00 33.50 N ATOM 926 CA THR B 13 5.386 -25.206 -15.387 1.00 24.89 C ATOM 927 C THR B 13 4.555 -25.685 -16.576 1.00 23.04 C ATOM 928 O THR B 13 4.483 -25.007 -17.598 1.00 22.91 O ATOM 929 CB THR B 13 4.456 -25.041 -14.188 1.00 25.63 C ATOM 930 OG1 THR B 13 3.497 -24.016 -14.478 1.00 23.44 O ATOM 931 CG2 THR B 13 5.252 -24.640 -12.956 1.00 23.16 C ATOM 932 N PHE B 14 3.919 -26.846 -16.429 1.00 20.16 N ATOM 933 CA PHE B 14 3.101 -27.411 -17.499 1.00 24.62 C ATOM 934 C PHE B 14 1.894 -28.197 -16.982 1.00 26.12 C ATOM 935 O PHE B 14 2.020 -29.018 -16.075 1.00 25.74 O ATOM 936 CB PHE B 14 3.965 -28.319 -18.383 1.00 23.04 C ATOM 937 CG PHE B 14 3.228 -28.913 -19.549 1.00 22.72 C ATOM 938 CD1 PHE B 14 2.665 -30.183 -19.465 1.00 23.64 C ATOM 939 CD2 PHE B 14 3.081 -28.192 -20.728 1.00 22.27 C ATOM 940 CE1 PHE B 14 1.967 -30.726 -20.544 1.00 22.94 C ATOM 941 CE2 PHE B 14 2.386 -28.723 -21.811 1.00 18.04 C ATOM 942 CZ PHE B 14 1.828 -29.992 -21.719 1.00 21.47 C ATOM 943 N GLU B 15 0.732 -27.931 -17.578 1.00 28.44 N ATOM 944 CA GLU B 15 -0.536 -28.584 -17.242 1.00 28.37 C ATOM 945 C GLU B 15 -0.588 -29.380 -15.942 1.00 27.18 C ATOM 946 O GLU B 15 -0.604 -30.614 -15.950 1.00 22.81 O ATOM 947 CB GLU B 15 -0.970 -29.498 -18.387 1.00 29.04 C ATOM 948 CG GLU B 15 -1.190 -28.778 -19.700 1.00 38.16 C ATOM 949 CD GLU B 15 -2.203 -29.482 -20.578 1.00 42.68 C ATOM 950 OE1 GLU B 15 -3.399 -29.496 -20.206 1.00 38.57 O ATOM 951 OE2 GLU B 15 -1.806 -30.023 -21.632 1.00 42.30 O ATOM 952 N PHE B 16 -0.645 -28.669 -14.824 1.00 20.91 N ATOM 953 CA PHE B 16 -0.695 -29.308 -13.520 1.00 18.66 C ATOM 954 C PHE B 16 -1.386 -28.364 -12.547 1.00 14.43 C ATOM 955 O PHE B 16 -1.202 -27.151 -12.614 1.00 21.01 O ATOM 956 CB PHE B 16 0.726 -29.616 -13.040 1.00 19.15 C ATOM 957 CG PHE B 16 0.971 -31.070 -12.755 1.00 22.20 C ATOM 958 CD1 PHE B 16 0.583 -31.627 -11.543 1.00 30.81 C ATOM 959 CD2 PHE B 16 1.578 -31.887 -13.704 1.00 24.50 C ATOM 960 CE1 PHE B 16 0.795 -32.975 -11.277 1.00 31.48 C ATOM 961 CE2 PHE B 16 1.794 -33.238 -13.448 1.00 30.81 C ATOM 962 CZ PHE B 16 1.402 -33.783 -12.230 1.00 30.71 C ATOM 963 N PRO B 17 -2.199 -28.908 -11.634 1.00 14.79 N ATOM 964 CA PRO B 17 -2.900 -28.064 -10.663 1.00 13.35 C ATOM 965 C PRO B 17 -1.996 -27.546 -9.547 1.00 14.72 C ATOM 966 O PRO B 17 -0.897 -28.057 -9.332 1.00 19.26 O ATOM 967 CB PRO B 17 -3.980 -28.997 -10.126 1.00 17.59 C ATOM 968 CG PRO B 17 -3.270 -30.320 -10.116 1.00 23.02 C ATOM 969 CD PRO B 17 -2.574 -30.324 -11.467 1.00 15.45 C ATOM 970 N ASP B 18 -2.457 -26.504 -8.864 1.00 12.54 N ATOM 971 CA ASP B 18 -1.740 -25.953 -7.716 1.00 10.66 C ATOM 972 C ASP B 18 -2.732 -25.271 -6.796 1.00 10.78 C ATOM 973 O ASP B 18 -3.204 -24.169 -7.066 1.00 10.96 O ATOM 974 CB ASP B 18 -0.655 -24.953 -8.114 1.00 11.72 C ATOM 975 CG ASP B 18 0.092 -24.418 -6.898 1.00 25.59 C ATOM 976 OD1 ASP B 18 0.164 -25.158 -5.888 1.00 20.63 O ATOM 977 OD2 ASP B 18 0.603 -23.278 -6.941 1.00 22.80 O ATOM 978 N LEU B 19 -3.039 -25.947 -5.700 1.00 11.14 N ATOM 979 CA LEU B 19 -3.980 -25.444 -4.713 1.00 7.30 C ATOM 980 C LEU B 19 -3.320 -24.517 -3.709 1.00 11.49 C ATOM 981 O LEU B 19 -2.185 -24.739 -3.290 1.00 9.59 O ATOM 982 CB LEU B 19 -4.600 -26.622 -3.969 1.00 9.49 C ATOM 983 CG LEU B 19 -5.383 -27.560 -4.889 1.00 9.42 C ATOM 984 CD1 LEU B 19 -5.560 -28.919 -4.256 1.00 8.75 C ATOM 985 CD2 LEU B 19 -6.738 -26.904 -5.180 1.00 12.22 C ATOM 986 N THR B 20 -4.044 -23.478 -3.318 1.00 10.78 N ATOM 987 CA THR B 20 -3.542 -22.543 -2.319 1.00 15.25 C ATOM 988 C THR B 20 -4.745 -22.010 -1.546 1.00 12.83 C ATOM 989 O THR B 20 -5.882 -22.137 -1.998 1.00 10.09 O ATOM 990 CB THR B 20 -2.733 -21.379 -2.966 1.00 15.62 C ATOM 991 OG1 THR B 20 -2.089 -20.616 -1.939 1.00 15.38 O ATOM 992 CG2 THR B 20 -3.636 -20.468 -3.782 1.00 12.11 C ATOM 993 N VAL B 21 -4.500 -21.440 -0.370 1.00 13.24 N ATOM 994 CA VAL B 21 -5.584 -20.912 0.453 1.00 13.13 C ATOM 995 C VAL B 21 -5.230 -19.618 1.171 1.00 11.39 C ATOM 996 O VAL B 21 -4.064 -19.337 1.438 1.00 10.08 O ATOM 997 CB VAL B 21 -6.040 -21.933 1.534 1.00 13.94 C ATOM 998 CG1 VAL B 21 -6.814 -23.074 0.898 1.00 19.99 C ATOM 999 CG2 VAL B 21 -4.832 -22.459 2.291 1.00 13.77 C ATOM 1000 N GLU B 22 -6.263 -18.836 1.469 1.00 9.06 N ATOM 1001 CA GLU B 22 -6.131 -17.568 2.181 1.00 15.19 C ATOM 1002 C GLU B 22 -7.345 -17.415 3.086 1.00 8.87 C ATOM 1003 O GLU B 22 -8.417 -17.947 2.794 1.00 14.83 O ATOM 1004 CB GLU B 22 -6.101 -16.392 1.206 1.00 12.19 C ATOM 1005 CG GLU B 22 -4.719 -15.919 0.817 1.00 31.83 C ATOM 1006 CD GLU B 22 -4.774 -14.751 -0.145 1.00 35.50 C ATOM 1007 OE1 GLU B 22 -5.521 -13.786 0.139 1.00 29.05 O ATOM 1008 OE2 GLU B 22 -4.070 -14.796 -1.179 1.00 44.39 O ATOM 1009 N ILE B 23 -7.173 -16.684 4.181 1.00 9.94 N ATOM 1010 CA ILE B 23 -8.259 -16.447 5.126 1.00 9.73 C ATOM 1011 C ILE B 23 -8.570 -14.952 5.207 1.00 11.04 C ATOM 1012 O ILE B 23 -7.661 -14.128 5.309 1.00 10.34 O ATOM 1013 CB ILE B 23 -7.879 -16.929 6.546 1.00 6.84 C ATOM 1014 CG1 ILE B 23 -7.682 -18.448 6.545 1.00 9.30 C ATOM 1015 CG2 ILE B 23 -8.956 -16.530 7.542 1.00 9.15 C ATOM 1016 CD1 ILE B 23 -6.942 -18.959 7.773 1.00 11.03 C ATOM 1017 N LYS B 24 -9.852 -14.611 5.155 1.00 9.31 N ATOM 1018 CA LYS B 24 -10.291 -13.222 5.265 1.00 11.34 C ATOM 1019 C LYS B 24 -11.299 -13.164 6.407 1.00 11.52 C ATOM 1020 O LYS B 24 -12.023 -14.126 6.651 1.00 13.08 O ATOM 1021 CB LYS B 24 -10.954 -12.753 3.962 1.00 14.33 C ATOM 1022 CG LYS B 24 -10.024 -12.703 2.755 1.00 12.83 C ATOM 1023 CD LYS B 24 -8.890 -11.709 2.951 1.00 19.77 C ATOM 1024 CE LYS B 24 -7.963 -11.676 1.740 1.00 34.54 C ATOM 1025 NZ LYS B 24 -6.801 -10.763 1.959 1.00 38.70 N ATOM 1026 N GLY B 25 -11.345 -12.047 7.119 1.00 9.96 N ATOM 1027 CA GLY B 25 -12.296 -11.945 8.210 1.00 9.60 C ATOM 1028 C GLY B 25 -11.898 -10.911 9.240 1.00 10.33 C ATOM 1029 O GLY B 25 -10.904 -10.209 9.060 1.00 10.25 O ATOM 1030 N PRO B 26 -12.664 -10.788 10.333 1.00 11.59 N ATOM 1031 CA PRO B 26 -12.350 -9.812 11.380 1.00 14.68 C ATOM 1032 C PRO B 26 -11.190 -10.288 12.247 1.00 14.57 C ATOM 1033 O PRO B 26 -11.133 -11.460 12.624 1.00 12.75 O ATOM 1034 CB PRO B 26 -13.658 -9.715 12.155 1.00 14.01 C ATOM 1035 CG PRO B 26 -14.193 -11.120 12.065 1.00 11.53 C ATOM 1036 CD PRO B 26 -13.947 -11.461 10.605 1.00 12.72 C ATOM 1037 N ASP B 27 -10.266 -9.383 12.562 1.00 13.51 N ATOM 1038 CA ASP B 27 -9.114 -9.738 13.389 1.00 14.27 C ATOM 1039 C ASP B 27 -9.346 -9.349 14.843 1.00 14.39 C ATOM 1040 O ASP B 27 -8.517 -9.616 15.711 1.00 13.20 O ATOM 1041 CB ASP B 27 -7.841 -9.084 12.842 1.00 16.75 C ATOM 1042 CG ASP B 27 -7.863 -7.576 12.948 1.00 23.35 C ATOM 1043 OD1 ASP B 27 -8.942 -6.977 12.777 1.00 29.42 O ATOM 1044 OD2 ASP B 27 -6.789 -6.988 13.191 1.00 36.48 O ATOM 1045 N VAL B 28 -10.480 -8.704 15.099 1.00 17.38 N ATOM 1046 CA VAL B 28 -10.853 -8.324 16.457 1.00 16.24 C ATOM 1047 C VAL B 28 -12.357 -8.533 16.585 1.00 15.31 C ATOM 1048 O VAL B 28 -13.146 -7.914 15.864 1.00 18.06 O ATOM 1049 CB VAL B 28 -10.509 -6.849 16.771 1.00 16.64 C ATOM 1050 CG1 VAL B 28 -10.814 -6.554 18.236 1.00 23.14 C ATOM 1051 CG2 VAL B 28 -9.038 -6.578 16.486 1.00 19.18 C ATOM 1052 N VAL B 29 -12.749 -9.424 17.492 1.00 11.70 N ATOM 1053 CA VAL B 29 -14.159 -9.727 17.703 1.00 18.18 C ATOM 1054 C VAL B 29 -14.503 -9.795 19.188 1.00 18.73 C ATOM 1055 O VAL B 29 -13.618 -9.841 20.044 1.00 14.37 O ATOM 1056 CB VAL B 29 -14.562 -11.080 17.047 1.00 16.92 C ATOM 1057 CG1 VAL B 29 -14.084 -11.120 15.603 1.00 14.82 C ATOM 1058 CG2 VAL B 29 -13.994 -12.247 17.836 1.00 19.82 C ATOM 1059 N GLY B 30 -15.799 -9.799 19.483 1.00 20.75 N ATOM 1060 CA GLY B 30 -16.243 -9.863 20.862 1.00 22.86 C ATOM 1061 C GLY B 30 -16.630 -11.271 21.261 1.00 22.79 C ATOM 1062 O GLY B 30 -17.141 -12.039 20.443 1.00 23.69 O ATOM 1063 N VAL B 31 -16.384 -11.616 22.520 1.00 20.11 N ATOM 1064 CA VAL B 31 -16.717 -12.942 23.021 1.00 23.57 C ATOM 1065 C VAL B 31 -18.230 -13.159 22.984 1.00 21.27 C ATOM 1066 O VAL B 31 -19.010 -12.233 23.220 1.00 23.58 O ATOM 1067 CB VAL B 31 -16.201 -13.135 24.466 1.00 25.04 C ATOM 1068 CG1 VAL B 31 -16.829 -12.100 25.386 1.00 27.64 C ATOM 1069 CG2 VAL B 31 -16.515 -14.543 24.947 1.00 33.24 C ATOM 1070 N ASN B 32 -18.628 -14.388 22.669 1.00 21.33 N ATOM 1071 CA ASN B 32 -20.031 -14.774 22.576 1.00 22.67 C ATOM 1072 C ASN B 32 -20.784 -14.026 21.478 1.00 24.19 C ATOM 1073 O ASN B 32 -21.999 -13.836 21.558 1.00 27.01 O ATOM 1074 CB ASN B 32 -20.731 -14.587 23.929 1.00 21.40 C ATOM 1075 CG ASN B 32 -20.170 -15.505 25.009 1.00 36.26 C ATOM 1076 OD1 ASN B 32 -20.077 -16.721 24.819 1.00 36.26 O ATOM 1077 ND2 ASN B 32 -19.796 -14.928 26.147 1.00 34.51 N ATOM 1078 N LYS B 33 -20.049 -13.608 20.450 1.00 22.29 N ATOM 1079 CA LYS B 33 -20.622 -12.901 19.308 1.00 17.79 C ATOM 1080 C LYS B 33 -20.331 -13.730 18.055 1.00 19.02 C ATOM 1081 O LYS B 33 -19.360 -14.483 18.017 1.00 20.48 O ATOM 1082 CB LYS B 33 -19.989 -11.514 19.163 1.00 25.48 C ATOM 1083 CG LYS B 33 -20.121 -10.630 20.391 1.00 29.04 C ATOM 1084 CD LYS B 33 -21.571 -10.314 20.702 1.00 32.63 C ATOM 1085 CE LYS B 33 -21.679 -9.383 21.902 1.00 41.16 C ATOM 1086 NZ LYS B 33 -23.087 -8.981 22.176 1.00 45.61 N ATOM 1087 N LEU B 34 -21.169 -13.589 17.034 1.00 19.88 N ATOM 1088 CA LEU B 34 -20.989 -14.340 15.797 1.00 17.20 C ATOM 1089 C LEU B 34 -20.020 -13.637 14.846 1.00 18.40 C ATOM 1090 O LEU B 34 -20.251 -12.496 14.449 1.00 17.07 O ATOM 1091 CB LEU B 34 -22.339 -14.526 15.100 1.00 18.09 C ATOM 1092 CG LEU B 34 -22.346 -15.481 13.902 1.00 22.24 C ATOM 1093 CD1 LEU B 34 -22.052 -16.890 14.392 1.00 23.13 C ATOM 1094 CD2 LEU B 34 -23.693 -15.435 13.198 1.00 23.15 C ATOM 1095 N ALA B 35 -18.935 -14.319 14.487 1.00 12.94 N ATOM 1096 CA ALA B 35 -17.949 -13.757 13.570 1.00 12.57 C ATOM 1097 C ALA B 35 -17.937 -14.592 12.296 1.00 15.45 C ATOM 1098 O ALA B 35 -17.918 -15.821 12.356 1.00 16.53 O ATOM 1099 CB ALA B 35 -16.565 -13.761 14.215 1.00 10.56 C ATOM 1100 N GLU B 36 -17.955 -13.929 11.146 1.00 11.21 N ATOM 1101 CA GLU B 36 -17.948 -14.635 9.873 1.00 14.06 C ATOM 1102 C GLU B 36 -16.605 -14.523 9.166 1.00 14.57 C ATOM 1103 O GLU B 36 -16.056 -13.428 9.019 1.00 8.02 O ATOM 1104 CB GLU B 36 -19.043 -14.083 8.959 1.00 20.86 C ATOM 1105 CG GLU B 36 -19.110 -14.755 7.600 1.00 26.42 C ATOM 1106 CD GLU B 36 -20.159 -14.136 6.702 1.00 41.56 C ATOM 1107 OE1 GLU B 36 -19.985 -12.965 6.303 1.00 46.22 O ATOM 1108 OE2 GLU B 36 -21.161 -14.819 6.401 1.00 36.74 O ATOM 1109 N TYR B 37 -16.088 -15.666 8.725 1.00 9.38 N ATOM 1110 CA TYR B 37 -14.817 -15.709 8.020 1.00 6.17 C ATOM 1111 C TYR B 37 -14.979 -16.301 6.642 1.00 11.08 C ATOM 1112 O TYR B 37 -15.967 -16.978 6.351 1.00 15.71 O ATOM 1113 CB TYR B 37 -13.786 -16.530 8.800 1.00 9.82 C ATOM 1114 CG TYR B 37 -13.390 -15.878 10.096 1.00 10.22 C ATOM 1115 CD1 TYR B 37 -14.215 -15.955 11.216 1.00 11.57 C ATOM 1116 CD2 TYR B 37 -12.231 -15.108 10.182 1.00 11.11 C ATOM 1117 CE1 TYR B 37 -13.897 -15.272 12.390 1.00 9.53 C ATOM 1118 CE2 TYR B 37 -11.908 -14.424 11.349 1.00 11.73 C ATOM 1119 CZ TYR B 37 -12.745 -14.506 12.444 1.00 14.64 C ATOM 1120 OH TYR B 37 -12.448 -13.801 13.584 1.00 13.96 O ATOM 1121 N GLU B 38 -14.000 -16.031 5.792 1.00 13.73 N ATOM 1122 CA GLU B 38 -14.011 -16.556 4.440 1.00 17.51 C ATOM 1123 C GLU B 38 -12.704 -17.283 4.208 1.00 15.05 C ATOM 1124 O GLU B 38 -11.637 -16.820 4.612 1.00 13.40 O ATOM 1125 CB GLU B 38 -14.132 -15.426 3.413 1.00 15.45 C ATOM 1126 CG GLU B 38 -15.293 -14.483 3.651 1.00 17.96 C ATOM 1127 CD GLU B 38 -15.418 -13.439 2.558 1.00 26.73 C ATOM 1128 OE1 GLU B 38 -14.375 -13.044 1.988 1.00 25.08 O ATOM 1129 OE2 GLU B 38 -16.556 -13.002 2.285 1.00 26.12 O ATOM 1130 N VAL B 39 -12.799 -18.439 3.571 1.00 9.81 N ATOM 1131 CA VAL B 39 -11.622 -19.210 3.238 1.00 8.58 C ATOM 1132 C VAL B 39 -11.622 -19.209 1.720 1.00 10.67 C ATOM 1133 O VAL B 39 -12.510 -19.777 1.085 1.00 11.99 O ATOM 1134 CB VAL B 39 -11.707 -20.651 3.790 1.00 10.91 C ATOM 1135 CG1 VAL B 39 -10.513 -21.458 3.311 1.00 14.99 C ATOM 1136 CG2 VAL B 39 -11.727 -20.621 5.316 1.00 15.91 C ATOM 1137 N HIS B 40 -10.658 -18.505 1.141 1.00 11.39 N ATOM 1138 CA HIS B 40 -10.543 -18.425 -0.310 1.00 11.64 C ATOM 1139 C HIS B 40 -9.594 -19.529 -0.754 1.00 15.00 C ATOM 1140 O HIS B 40 -8.407 -19.511 -0.420 1.00 15.53 O ATOM 1141 CB HIS B 40 -9.993 -17.057 -0.716 1.00 15.02 C ATOM 1142 CG HIS B 40 -10.874 -15.912 -0.322 1.00 18.57 C ATOM 1143 ND1 HIS B 40 -10.594 -14.606 -0.666 1.00 26.95 N ATOM 1144 CD2 HIS B 40 -12.036 -15.872 0.374 1.00 26.57 C ATOM 1145 CE1 HIS B 40 -11.542 -13.815 -0.201 1.00 26.62 C ATOM 1146 NE2 HIS B 40 -12.431 -14.558 0.434 1.00 22.14 N ATOM 1147 N VAL B 41 -10.132 -20.499 -1.488 1.00 12.16 N ATOM 1148 CA VAL B 41 -9.348 -21.622 -1.985 1.00 12.61 C ATOM 1149 C VAL B 41 -9.220 -21.461 -3.496 1.00 10.98 C ATOM 1150 O VAL B 41 -10.215 -21.303 -4.198 1.00 11.47 O ATOM 1151 CB VAL B 41 -10.027 -22.978 -1.629 1.00 16.44 C ATOM 1152 CG1 VAL B 41 -11.393 -23.068 -2.272 1.00 23.82 C ATOM 1153 CG2 VAL B 41 -9.141 -24.142 -2.054 1.00 11.25 C ATOM 1154 N LYS B 42 -7.990 -21.485 -3.997 1.00 11.05 N ATOM 1155 CA LYS B 42 -7.780 -21.295 -5.424 1.00 11.77 C ATOM 1156 C LYS B 42 -6.932 -22.374 -6.068 1.00 13.40 C ATOM 1157 O LYS B 42 -6.174 -23.075 -5.399 1.00 11.66 O ATOM 1158 CB LYS B 42 -7.103 -19.944 -5.676 1.00 18.82 C ATOM 1159 CG LYS B 42 -7.594 -18.815 -4.792 1.00 32.00 C ATOM 1160 CD LYS B 42 -7.107 -17.464 -5.291 1.00 35.53 C ATOM 1161 CE LYS B 42 -5.585 -17.401 -5.380 1.00 37.89 C ATOM 1162 NZ LYS B 42 -5.121 -16.070 -5.889 1.00 40.60 N ATOM 1163 N ASN B 43 -7.080 -22.497 -7.382 1.00 9.93 N ATOM 1164 CA ASN B 43 -6.290 -23.435 -8.160 1.00 14.92 C ATOM 1165 C ASN B 43 -5.577 -22.569 -9.189 1.00 18.86 C ATOM 1166 O ASN B 43 -6.206 -22.014 -10.087 1.00 19.38 O ATOM 1167 CB ASN B 43 -7.170 -24.469 -8.863 1.00 11.94 C ATOM 1168 CG ASN B 43 -6.376 -25.361 -9.804 1.00 16.38 C ATOM 1169 OD1 ASN B 43 -5.169 -25.555 -9.629 1.00 15.60 O ATOM 1170 ND2 ASN B 43 -7.052 -25.919 -10.802 1.00 18.30 N ATOM 1171 N LEU B 44 -4.266 -22.440 -9.033 1.00 16.75 N ATOM 1172 CA LEU B 44 -3.457 -21.628 -9.932 1.00 20.53 C ATOM 1173 C LEU B 44 -3.012 -22.415 -11.161 1.00 19.91 C ATOM 1174 O LEU B 44 -2.427 -21.850 -12.082 1.00 23.58 O ATOM 1175 CB LEU B 44 -2.218 -21.119 -9.192 1.00 19.63 C ATOM 1176 CG LEU B 44 -2.449 -20.346 -7.896 1.00 16.71 C ATOM 1177 CD1 LEU B 44 -1.113 -20.075 -7.226 1.00 24.44 C ATOM 1178 CD2 LEU B 44 -3.180 -19.040 -8.191 1.00 23.11 C ATOM 1179 N GLY B 45 -3.293 -23.715 -11.166 1.00 19.17 N ATOM 1180 CA GLY B 45 -2.891 -24.566 -12.274 1.00 17.06 C ATOM 1181 C GLY B 45 -3.782 -24.562 -13.502 1.00 19.49 C ATOM 1182 O GLY B 45 -4.913 -24.068 -13.470 1.00 17.37 O ATOM 1183 N GLY B 46 -3.264 -25.131 -14.589 1.00 16.90 N ATOM 1184 CA GLY B 46 -4.002 -25.193 -15.843 1.00 18.55 C ATOM 1185 C GLY B 46 -4.916 -26.400 -15.946 1.00 17.95 C ATOM 1186 O GLY B 46 -5.644 -26.564 -16.931 1.00 21.74 O ATOM 1187 N ILE B 47 -4.857 -27.261 -14.936 1.00 18.88 N ATOM 1188 CA ILE B 47 -5.695 -28.454 -14.875 1.00 15.38 C ATOM 1189 C ILE B 47 -6.530 -28.350 -13.607 1.00 14.14 C ATOM 1190 O ILE B 47 -6.040 -27.900 -12.572 1.00 16.74 O ATOM 1191 CB ILE B 47 -4.846 -29.743 -14.834 1.00 21.23 C ATOM 1192 CG1 ILE B 47 -4.184 -29.966 -16.195 1.00 24.81 C ATOM 1193 CG2 ILE B 47 -5.715 -30.934 -14.454 1.00 24.66 C ATOM 1194 CD1 ILE B 47 -3.437 -31.277 -16.302 1.00 28.59 C ATOM 1195 N GLY B 48 -7.793 -28.757 -13.691 1.00 12.89 N ATOM 1196 CA GLY B 48 -8.668 -28.667 -12.538 1.00 12.77 C ATOM 1197 C GLY B 48 -8.446 -29.699 -11.451 1.00 12.86 C ATOM 1198 O GLY B 48 -7.671 -30.642 -11.600 1.00 11.60 O ATOM 1199 N VAL B 49 -9.134 -29.499 -10.333 1.00 11.88 N ATOM 1200 CA VAL B 49 -9.060 -30.415 -9.208 1.00 11.27 C ATOM 1201 C VAL B 49 -10.505 -30.785 -8.900 1.00 9.51 C ATOM 1202 O VAL B 49 -11.254 -29.997 -8.323 1.00 12.02 O ATOM 1203 CB VAL B 49 -8.389 -29.742 -7.983 1.00 10.68 C ATOM 1204 CG1 VAL B 49 -8.382 -30.695 -6.788 1.00 13.36 C ATOM 1205 CG2 VAL B 49 -6.959 -29.347 -8.336 1.00 11.13 C ATOM 1206 N PRO B 50 -10.922 -31.990 -9.320 1.00 15.69 N ATOM 1207 CA PRO B 50 -12.277 -32.505 -9.115 1.00 16.78 C ATOM 1208 C PRO B 50 -12.710 -32.523 -7.658 1.00 13.76 C ATOM 1209 O PRO B 50 -13.846 -32.171 -7.337 1.00 15.87 O ATOM 1210 CB PRO B 50 -12.204 -33.907 -9.716 1.00 16.08 C ATOM 1211 CG PRO B 50 -11.229 -33.729 -10.835 1.00 17.61 C ATOM 1212 CD PRO B 50 -10.144 -32.902 -10.179 1.00 17.99 C ATOM 1213 N SER B 51 -11.802 -32.922 -6.775 1.00 12.33 N ATOM 1214 CA SER B 51 -12.126 -32.995 -5.361 1.00 16.07 C ATOM 1215 C SER B 51 -10.903 -32.906 -4.448 1.00 15.89 C ATOM 1216 O SER B 51 -9.917 -33.619 -4.637 1.00 16.13 O ATOM 1217 CB SER B 51 -12.878 -34.302 -5.076 1.00 18.21 C ATOM 1218 OG SER B 51 -13.279 -34.386 -3.722 1.00 23.75 O ATOM 1219 N THR B 52 -10.971 -32.020 -3.462 1.00 13.78 N ATOM 1220 CA THR B 52 -9.886 -31.871 -2.502 1.00 8.85 C ATOM 1221 C THR B 52 -10.480 -31.414 -1.174 1.00 9.62 C ATOM 1222 O THR B 52 -11.549 -30.797 -1.129 1.00 8.50 O ATOM 1223 CB THR B 52 -8.814 -30.866 -2.991 1.00 12.28 C ATOM 1224 OG1 THR B 52 -7.688 -30.910 -2.107 1.00 12.47 O ATOM 1225 CG2 THR B 52 -9.363 -29.448 -3.029 1.00 13.27 C ATOM 1226 N LYS B 53 -9.791 -31.742 -0.091 1.00 9.02 N ATOM 1227 CA LYS B 53 -10.270 -31.395 1.233 1.00 10.36 C ATOM 1228 C LYS B 53 -9.681 -30.099 1.784 1.00 12.92 C ATOM 1229 O LYS B 53 -8.484 -29.839 1.670 1.00 13.27 O ATOM 1230 CB LYS B 53 -9.991 -32.556 2.195 1.00 14.84 C ATOM 1231 CG LYS B 53 -10.744 -33.848 1.830 1.00 16.01 C ATOM 1232 CD LYS B 53 -10.449 -34.986 2.810 1.00 34.65 C ATOM 1233 CE LYS B 53 -11.131 -36.292 2.401 1.00 41.72 C ATOM 1234 NZ LYS B 53 -10.672 -37.447 3.234 1.00 35.88 N ATOM 1235 N VAL B 54 -10.549 -29.274 2.355 1.00 7.84 N ATOM 1236 CA VAL B 54 -10.133 -28.024 2.964 1.00 6.74 C ATOM 1237 C VAL B 54 -10.512 -28.152 4.431 1.00 10.60 C ATOM 1238 O VAL B 54 -11.590 -28.655 4.768 1.00 7.96 O ATOM 1239 CB VAL B 54 -10.861 -26.806 2.344 1.00 8.46 C ATOM 1240 CG1 VAL B 54 -10.462 -25.523 3.085 1.00 9.41 C ATOM 1241 CG2 VAL B 54 -10.504 -26.688 0.872 1.00 6.36 C ATOM 1242 N ARG B 55 -9.615 -27.720 5.305 1.00 7.77 N ATOM 1243 CA ARG B 55 -9.870 -27.805 6.732 1.00 8.56 C ATOM 1244 C ARG B 55 -9.538 -26.481 7.381 1.00 10.61 C ATOM 1245 O ARG B 55 -8.670 -25.747 6.907 1.00 6.72 O ATOM 1246 CB ARG B 55 -9.004 -28.899 7.376 1.00 11.14 C ATOM 1247 CG ARG B 55 -9.210 -30.306 6.821 1.00 15.62 C ATOM 1248 CD ARG B 55 -8.252 -31.311 7.459 1.00 14.18 C ATOM 1249 NE ARG B 55 -8.550 -32.690 7.064 1.00 19.59 N ATOM 1250 CZ ARG B 55 -8.279 -33.217 5.871 1.00 29.39 C ATOM 1251 NH1 ARG B 55 -7.691 -32.487 4.932 1.00 24.41 N ATOM 1252 NH2 ARG B 55 -8.608 -34.478 5.614 1.00 27.61 N ATOM 1253 N VAL B 56 -10.263 -26.164 8.447 1.00 10.68 N ATOM 1254 CA VAL B 56 -10.000 -24.957 9.207 1.00 7.97 C ATOM 1255 C VAL B 56 -9.817 -25.400 10.648 1.00 7.88 C ATOM 1256 O VAL B 56 -10.586 -26.212 11.159 1.00 8.16 O ATOM 1257 CB VAL B 56 -11.160 -23.930 9.120 1.00 8.88 C ATOM 1258 CG1 VAL B 56 -11.083 -22.960 10.283 1.00 7.45 C ATOM 1259 CG2 VAL B 56 -11.062 -23.152 7.812 1.00 7.09 C ATOM 1260 N TYR B 57 -8.771 -24.881 11.280 1.00 5.48 N ATOM 1261 CA TYR B 57 -8.450 -25.183 12.667 1.00 5.33 C ATOM 1262 C TYR B 57 -8.483 -23.874 13.449 1.00 5.46 C ATOM 1263 O TYR B 57 -8.208 -22.802 12.904 1.00 8.33 O ATOM 1264 CB TYR B 57 -7.028 -25.750 12.788 1.00 5.12 C ATOM 1265 CG TYR B 57 -6.759 -27.021 12.018 1.00 5.48 C ATOM 1266 CD1 TYR B 57 -6.815 -28.264 12.649 1.00 8.60 C ATOM 1267 CD2 TYR B 57 -6.412 -26.982 10.670 1.00 9.11 C ATOM 1268 CE1 TYR B 57 -6.527 -29.438 11.957 1.00 12.75 C ATOM 1269 CE2 TYR B 57 -6.125 -28.152 9.967 1.00 11.34 C ATOM 1270 CZ TYR B 57 -6.185 -29.373 10.616 1.00 11.54 C ATOM 1271 OH TYR B 57 -5.920 -30.533 9.926 1.00 11.83 O ATOM 1272 N ILE B 58 -8.829 -23.966 14.726 1.00 5.69 N ATOM 1273 CA ILE B 58 -8.834 -22.809 15.613 1.00 9.21 C ATOM 1274 C ILE B 58 -7.985 -23.280 16.783 1.00 7.92 C ATOM 1275 O ILE B 58 -8.371 -24.201 17.503 1.00 9.13 O ATOM 1276 CB ILE B 58 -10.249 -22.466 16.117 1.00 15.00 C ATOM 1277 CG1 ILE B 58 -11.177 -22.209 14.932 1.00 18.43 C ATOM 1278 CG2 ILE B 58 -10.208 -21.229 17.006 1.00 7.87 C ATOM 1279 CD1 ILE B 58 -10.726 -21.104 14.025 1.00 31.81 C ATOM 1280 N ASN B 59 -6.830 -22.646 16.960 1.00 6.36 N ATOM 1281 CA ASN B 59 -5.884 -23.017 18.010 1.00 14.02 C ATOM 1282 C ASN B 59 -5.536 -24.509 17.995 1.00 9.93 C ATOM 1283 O ASN B 59 -5.484 -25.159 19.038 1.00 9.28 O ATOM 1284 CB ASN B 59 -6.406 -22.597 19.391 1.00 14.51 C ATOM 1285 CG ASN B 59 -6.065 -21.157 19.724 1.00 11.21 C ATOM 1286 OD1 ASN B 59 -5.301 -20.510 19.009 1.00 12.48 O ATOM 1287 ND2 ASN B 59 -6.617 -20.652 20.822 1.00 19.89 N ATOM 1288 N GLY B 60 -5.310 -25.044 16.798 1.00 10.16 N ATOM 1289 CA GLY B 60 -4.936 -26.442 16.663 1.00 7.11 C ATOM 1290 C GLY B 60 -6.059 -27.461 16.657 1.00 9.60 C ATOM 1291 O GLY B 60 -5.827 -28.642 16.389 1.00 11.89 O ATOM 1292 N THR B 61 -7.272 -27.006 16.951 1.00 8.16 N ATOM 1293 CA THR B 61 -8.447 -27.877 16.984 1.00 7.10 C ATOM 1294 C THR B 61 -9.181 -27.836 15.652 1.00 6.49 C ATOM 1295 O THR B 61 -9.537 -26.757 15.189 1.00 9.16 O ATOM 1296 CB THR B 61 -9.449 -27.421 18.066 1.00 15.53 C ATOM 1297 OG1 THR B 61 -8.784 -27.333 19.330 1.00 16.37 O ATOM 1298 CG2 THR B 61 -10.609 -28.412 18.175 1.00 10.17 C ATOM 1299 N LEU B 62 -9.412 -28.993 15.035 1.00 6.35 N ATOM 1300 CA LEU B 62 -10.135 -29.010 13.762 1.00 4.37 C ATOM 1301 C LEU B 62 -11.521 -28.432 14.024 1.00 5.76 C ATOM 1302 O LEU B 62 -12.221 -28.866 14.938 1.00 8.83 O ATOM 1303 CB LEU B 62 -10.267 -30.434 13.221 1.00 9.11 C ATOM 1304 CG LEU B 62 -11.093 -30.528 11.933 1.00 8.73 C ATOM 1305 CD1 LEU B 62 -10.431 -29.709 10.838 1.00 6.88 C ATOM 1306 CD2 LEU B 62 -11.232 -31.985 11.507 1.00 13.38 C ATOM 1307 N TYR B 63 -11.915 -27.459 13.211 1.00 4.21 N ATOM 1308 CA TYR B 63 -13.195 -26.797 13.382 1.00 4.52 C ATOM 1309 C TYR B 63 -14.212 -27.148 12.304 1.00 8.08 C ATOM 1310 O TYR B 63 -15.337 -27.551 12.602 1.00 6.60 O ATOM 1311 CB TYR B 63 -12.978 -25.288 13.413 1.00 8.98 C ATOM 1312 CG TYR B 63 -14.238 -24.514 13.690 1.00 7.66 C ATOM 1313 CD1 TYR B 63 -14.795 -23.689 12.717 1.00 11.06 C ATOM 1314 CD2 TYR B 63 -14.885 -24.619 14.921 1.00 9.61 C ATOM 1315 CE1 TYR B 63 -15.970 -22.984 12.960 1.00 11.62 C ATOM 1316 CE2 TYR B 63 -16.063 -23.917 15.172 1.00 8.84 C ATOM 1317 CZ TYR B 63 -16.595 -23.106 14.187 1.00 8.11 C ATOM 1318 OH TYR B 63 -17.759 -22.417 14.425 1.00 15.29 O ATOM 1319 N LYS B 64 -13.810 -26.998 11.046 1.00 7.63 N ATOM 1320 CA LYS B 64 -14.704 -27.297 9.934 1.00 10.18 C ATOM 1321 C LYS B 64 -13.984 -27.960 8.766 1.00 9.85 C ATOM 1322 O LYS B 64 -12.811 -27.686 8.503 1.00 11.20 O ATOM 1323 CB LYS B 64 -15.403 -26.011 9.459 1.00 15.11 C ATOM 1324 CG LYS B 64 -16.611 -26.258 8.547 1.00 17.59 C ATOM 1325 CD LYS B 64 -17.573 -25.078 8.551 1.00 20.11 C ATOM 1326 CE LYS B 64 -18.734 -25.296 7.587 1.00 30.54 C ATOM 1327 NZ LYS B 64 -19.492 -26.557 7.863 1.00 37.61 N ATOM 1328 N ASN B 65 -14.710 -28.841 8.081 1.00 9.44 N ATOM 1329 CA ASN B 65 -14.207 -29.580 6.923 1.00 12.75 C ATOM 1330 C ASN B 65 -15.075 -29.291 5.711 1.00 9.72 C ATOM 1331 O ASN B 65 -16.285 -29.109 5.837 1.00 12.06 O ATOM 1332 CB ASN B 65 -14.271 -31.099 7.138 1.00 17.17 C ATOM 1333 CG ASN B 65 -13.492 -31.564 8.341 1.00 28.61 C ATOM 1334 OD1 ASN B 65 -13.955 -31.456 9.478 1.00 39.65 O ATOM 1335 ND2 ASN B 65 -12.294 -32.087 8.098 1.00 19.55 N ATOM 1336 N TRP B 66 -14.446 -29.278 4.542 1.00 5.56 N ATOM 1337 CA TRP B 66 -15.136 -29.056 3.274 1.00 6.97 C ATOM 1338 C TRP B 66 -14.464 -29.914 2.216 1.00 10.72 C ATOM 1339 O TRP B 66 -13.265 -30.179 2.286 1.00 9.61 O ATOM 1340 CB TRP B 66 -15.003 -27.610 2.783 1.00 7.34 C ATOM 1341 CG TRP B 66 -15.666 -26.550 3.563 1.00 9.50 C ATOM 1342 CD1 TRP B 66 -16.946 -26.100 3.422 1.00 14.52 C ATOM 1343 CD2 TRP B 66 -15.050 -25.722 4.546 1.00 8.85 C ATOM 1344 NE1 TRP B 66 -17.164 -25.028 4.256 1.00 15.99 N ATOM 1345 CE2 TRP B 66 -16.013 -24.774 4.958 1.00 12.04 C ATOM 1346 CE3 TRP B 66 -13.770 -25.684 5.117 1.00 13.80 C ATOM 1347 CZ2 TRP B 66 -15.740 -23.797 5.917 1.00 13.30 C ATOM 1348 CZ3 TRP B 66 -13.497 -24.711 6.075 1.00 18.26 C ATOM 1349 CH2 TRP B 66 -14.481 -23.779 6.462 1.00 13.55 C ATOM 1350 N THR B 67 -15.245 -30.353 1.239 1.00 9.23 N ATOM 1351 CA THR B 67 -14.712 -31.102 0.110 1.00 12.52 C ATOM 1352 C THR B 67 -15.077 -30.149 -1.022 1.00 15.30 C ATOM 1353 O THR B 67 -16.254 -29.816 -1.201 1.00 15.45 O ATOM 1354 CB THR B 67 -15.420 -32.465 -0.079 1.00 16.37 C ATOM 1355 OG1 THR B 67 -15.109 -33.328 1.023 1.00 18.05 O ATOM 1356 CG2 THR B 67 -14.958 -33.133 -1.372 1.00 19.32 C ATOM 1357 N VAL B 68 -14.077 -29.675 -1.759 1.00 9.16 N ATOM 1358 CA VAL B 68 -14.336 -28.719 -2.829 1.00 9.18 C ATOM 1359 C VAL B 68 -13.820 -29.154 -4.191 1.00 10.50 C ATOM 1360 O VAL B 68 -12.910 -29.971 -4.286 1.00 8.19 O ATOM 1361 CB VAL B 68 -13.717 -27.331 -2.505 1.00 13.41 C ATOM 1362 CG1 VAL B 68 -14.137 -26.886 -1.107 1.00 20.23 C ATOM 1363 CG2 VAL B 68 -12.211 -27.389 -2.614 1.00 25.21 C ATOM 1364 N SER B 69 -14.420 -28.598 -5.239 1.00 10.66 N ATOM 1365 CA SER B 69 -14.025 -28.886 -6.616 1.00 9.44 C ATOM 1366 C SER B 69 -13.601 -27.555 -7.214 1.00 9.60 C ATOM 1367 O SER B 69 -14.213 -26.526 -6.931 1.00 12.51 O ATOM 1368 CB SER B 69 -15.208 -29.445 -7.411 1.00 11.20 C ATOM 1369 OG SER B 69 -16.254 -28.485 -7.474 1.00 13.51 O ATOM 1370 N LEU B 70 -12.561 -27.567 -8.040 1.00 8.53 N ATOM 1371 CA LEU B 70 -12.080 -26.338 -8.658 1.00 8.55 C ATOM 1372 C LEU B 70 -11.637 -26.591 -10.089 1.00 11.14 C ATOM 1373 O LEU B 70 -11.004 -27.603 -10.379 1.00 16.78 O ATOM 1374 CB LEU B 70 -10.902 -25.778 -7.857 1.00 11.48 C ATOM 1375 CG LEU B 70 -11.194 -25.151 -6.491 1.00 14.97 C ATOM 1376 CD1 LEU B 70 -9.903 -25.082 -5.683 1.00 20.66 C ATOM 1377 CD2 LEU B 70 -11.789 -23.759 -6.681 1.00 16.75 C ATOM 1378 N GLY B 71 -11.984 -25.684 -10.992 1.00 12.00 N ATOM 1379 CA GLY B 71 -11.561 -25.859 -12.367 1.00 16.31 C ATOM 1380 C GLY B 71 -10.206 -25.195 -12.503 1.00 15.81 C ATOM 1381 O GLY B 71 -9.668 -24.686 -11.512 1.00 11.16 O ATOM 1382 N PRO B 72 -9.611 -25.198 -13.706 1.00 15.67 N ATOM 1383 CA PRO B 72 -8.305 -24.553 -13.863 1.00 17.26 C ATOM 1384 C PRO B 72 -8.424 -23.049 -13.592 1.00 14.42 C ATOM 1385 O PRO B 72 -9.438 -22.427 -13.921 1.00 13.70 O ATOM 1386 CB PRO B 72 -7.931 -24.869 -15.313 1.00 18.91 C ATOM 1387 CG PRO B 72 -9.264 -25.053 -15.990 1.00 14.92 C ATOM 1388 CD PRO B 72 -10.059 -25.815 -14.967 1.00 19.33 C ATOM 1389 N LYS B 73 -7.386 -22.480 -12.982 1.00 13.93 N ATOM 1390 CA LYS B 73 -7.353 -21.059 -12.645 1.00 20.06 C ATOM 1391 C LYS B 73 -8.703 -20.556 -12.146 1.00 20.51 C ATOM 1392 O LYS B 73 -9.247 -19.578 -12.656 1.00 26.31 O ATOM 1393 CB LYS B 73 -6.890 -20.237 -13.852 1.00 18.89 C ATOM 1394 CG LYS B 73 -5.483 -20.587 -14.310 1.00 21.64 C ATOM 1395 CD LYS B 73 -4.792 -19.411 -14.990 1.00 33.81 C ATOM 1396 CE LYS B 73 -5.533 -18.953 -16.237 1.00 45.51 C ATOM 1397 NZ LYS B 73 -4.872 -17.771 -16.862 1.00 52.25 N ATOM 1398 N GLU B 74 -9.234 -21.238 -11.137 1.00 21.91 N ATOM 1399 CA GLU B 74 -10.523 -20.889 -10.557 1.00 23.06 C ATOM 1400 C GLU B 74 -10.385 -20.670 -9.055 1.00 27.03 C ATOM 1401 O GLU B 74 -9.497 -21.230 -8.410 1.00 16.80 O ATOM 1402 CB GLU B 74 -11.533 -22.011 -10.831 1.00 21.47 C ATOM 1403 CG GLU B 74 -12.929 -21.785 -10.266 1.00 30.38 C ATOM 1404 CD GLU B 74 -13.894 -22.897 -10.650 1.00 33.22 C ATOM 1405 OE1 GLU B 74 -14.095 -23.119 -11.860 1.00 47.26 O ATOM 1406 OE2 GLU B 74 -14.454 -23.548 -9.747 1.00 41.08 O ATOM 1407 N GLU B 75 -11.274 -19.856 -8.502 1.00 22.62 N ATOM 1408 CA GLU B 75 -11.251 -19.566 -7.080 1.00 20.44 C ATOM 1409 C GLU B 75 -12.651 -19.642 -6.500 1.00 21.77 C ATOM 1410 O GLU B 75 -13.604 -19.124 -7.085 1.00 19.97 O ATOM 1411 CB GLU B 75 -10.683 -18.168 -6.834 1.00 25.26 C ATOM 1412 CG GLU B 75 -10.640 -17.780 -5.368 1.00 29.92 C ATOM 1413 CD GLU B 75 -10.255 -16.327 -5.154 1.00 36.74 C ATOM 1414 OE1 GLU B 75 -9.740 -16.009 -4.065 1.00 26.81 O ATOM 1415 OE2 GLU B 75 -10.479 -15.502 -6.065 1.00 39.76 O ATOM 1416 N LYS B 76 -12.773 -20.301 -5.354 1.00 13.75 N ATOM 1417 CA LYS B 76 -14.056 -20.414 -4.678 1.00 12.32 C ATOM 1418 C LYS B 76 -13.920 -19.867 -3.273 1.00 15.34 C ATOM 1419 O LYS B 76 -12.881 -20.026 -2.626 1.00 15.72 O ATOM 1420 CB LYS B 76 -14.533 -21.870 -4.621 1.00 15.54 C ATOM 1421 CG LYS B 76 -15.103 -22.388 -5.930 1.00 12.34 C ATOM 1422 CD LYS B 76 -15.757 -23.753 -5.762 1.00 18.72 C ATOM 1423 CE LYS B 76 -16.321 -24.259 -7.090 1.00 15.95 C ATOM 1424 NZ LYS B 76 -16.913 -25.618 -6.962 1.00 17.87 N ATOM 1425 N VAL B 77 -14.971 -19.209 -2.804 1.00 10.38 N ATOM 1426 CA VAL B 77 -14.952 -18.640 -1.471 1.00 16.03 C ATOM 1427 C VAL B 77 -15.831 -19.442 -0.532 1.00 14.74 C ATOM 1428 O VAL B 77 -17.038 -19.552 -0.735 1.00 16.69 O ATOM 1429 CB VAL B 77 -15.424 -17.177 -1.488 1.00 15.28 C ATOM 1430 CG1 VAL B 77 -15.380 -16.605 -0.079 1.00 16.71 C ATOM 1431 CG2 VAL B 77 -14.544 -16.367 -2.419 1.00 18.11 C ATOM 1432 N LEU B 78 -15.207 -20.026 0.484 1.00 13.60 N ATOM 1433 CA LEU B 78 -15.925 -20.813 1.470 1.00 12.16 C ATOM 1434 C LEU B 78 -16.158 -19.894 2.648 1.00 18.52 C ATOM 1435 O LEU B 78 -15.344 -19.013 2.928 1.00 19.96 O ATOM 1436 CB LEU B 78 -15.085 -22.006 1.926 1.00 9.50 C ATOM 1437 CG LEU B 78 -14.577 -22.949 0.839 1.00 14.34 C ATOM 1438 CD1 LEU B 78 -13.638 -23.966 1.458 1.00 16.10 C ATOM 1439 CD2 LEU B 78 -15.743 -23.626 0.151 1.00 8.26 C ATOM 1440 N THR B 79 -17.270 -20.086 3.337 1.00 16.04 N ATOM 1441 CA THR B 79 -17.550 -19.256 4.487 1.00 16.07 C ATOM 1442 C THR B 79 -17.914 -20.130 5.671 1.00 19.82 C ATOM 1443 O THR B 79 -18.450 -21.224 5.510 1.00 22.13 O ATOM 1444 CB THR B 79 -18.722 -18.287 4.210 1.00 25.15 C ATOM 1445 OG1 THR B 79 -19.942 -19.034 4.095 1.00 29.62 O ATOM 1446 CG2 THR B 79 -18.482 -17.513 2.921 1.00 15.38 C ATOM 1447 N PHE B 80 -17.574 -19.657 6.862 1.00 16.09 N ATOM 1448 CA PHE B 80 -17.921 -20.358 8.082 1.00 13.06 C ATOM 1449 C PHE B 80 -18.154 -19.308 9.162 1.00 18.93 C ATOM 1450 O PHE B 80 -17.700 -18.165 9.044 1.00 11.51 O ATOM 1451 CB PHE B 80 -16.829 -21.355 8.520 1.00 17.19 C ATOM 1452 CG PHE B 80 -15.547 -20.720 9.004 1.00 15.03 C ATOM 1453 CD1 PHE B 80 -14.534 -20.394 8.103 1.00 13.50 C ATOM 1454 CD2 PHE B 80 -15.325 -20.508 10.367 1.00 11.45 C ATOM 1455 CE1 PHE B 80 -13.321 -19.877 8.547 1.00 11.80 C ATOM 1456 CE2 PHE B 80 -14.110 -19.989 10.820 1.00 17.50 C ATOM 1457 CZ PHE B 80 -13.104 -19.675 9.905 1.00 12.38 C ATOM 1458 N ASN B 81 -18.883 -19.705 10.197 1.00 14.27 N ATOM 1459 CA ASN B 81 -19.194 -18.837 11.324 1.00 19.72 C ATOM 1460 C ASN B 81 -18.521 -19.406 12.560 1.00 18.52 C ATOM 1461 O ASN B 81 -18.366 -20.619 12.683 1.00 17.12 O ATOM 1462 CB ASN B 81 -20.703 -18.807 11.584 1.00 25.35 C ATOM 1463 CG ASN B 81 -21.468 -18.021 10.545 1.00 34.30 C ATOM 1464 OD1 ASN B 81 -22.570 -18.412 10.148 1.00 27.02 O ATOM 1465 ND2 ASN B 81 -20.904 -16.898 10.112 1.00 40.76 N ATOM 1466 N TRP B 82 -18.137 -18.525 13.475 1.00 14.74 N ATOM 1467 CA TRP B 82 -17.503 -18.932 14.722 1.00 13.66 C ATOM 1468 C TRP B 82 -17.892 -17.978 15.852 1.00 12.44 C ATOM 1469 O TRP B 82 -17.800 -16.757 15.708 1.00 13.69 O ATOM 1470 CB TRP B 82 -15.979 -18.951 14.559 1.00 8.86 C ATOM 1471 CG TRP B 82 -15.223 -19.146 15.844 1.00 12.92 C ATOM 1472 CD1 TRP B 82 -15.449 -20.099 16.799 1.00 13.58 C ATOM 1473 CD2 TRP B 82 -14.103 -18.378 16.300 1.00 11.67 C ATOM 1474 NE1 TRP B 82 -14.536 -19.970 17.821 1.00 14.86 N ATOM 1475 CE2 TRP B 82 -13.698 -18.924 17.540 1.00 13.02 C ATOM 1476 CE3 TRP B 82 -13.401 -17.283 15.780 1.00 14.24 C ATOM 1477 CZ2 TRP B 82 -12.620 -18.411 18.270 1.00 12.84 C ATOM 1478 CZ3 TRP B 82 -12.325 -16.770 16.510 1.00 12.72 C ATOM 1479 CH2 TRP B 82 -11.948 -17.337 17.740 1.00 17.88 C ATOM 1480 N THR B 83 -18.332 -18.542 16.971 1.00 10.59 N ATOM 1481 CA THR B 83 -18.724 -17.746 18.130 1.00 10.46 C ATOM 1482 C THR B 83 -17.759 -18.059 19.277 1.00 11.52 C ATOM 1483 O THR B 83 -17.886 -19.092 19.943 1.00 16.94 O ATOM 1484 CB THR B 83 -20.180 -18.066 18.570 1.00 13.82 C ATOM 1485 OG1 THR B 83 -21.079 -17.819 17.481 1.00 15.80 O ATOM 1486 CG2 THR B 83 -20.588 -17.195 19.755 1.00 20.24 C ATOM 1487 N PRO B 84 -16.758 -17.183 19.498 1.00 10.75 N ATOM 1488 CA PRO B 84 -15.768 -17.368 20.567 1.00 15.50 C ATOM 1489 C PRO B 84 -16.456 -17.478 21.924 1.00 18.42 C ATOM 1490 O PRO B 84 -17.384 -16.724 22.212 1.00 19.79 O ATOM 1491 CB PRO B 84 -14.912 -16.111 20.469 1.00 12.02 C ATOM 1492 CG PRO B 84 -15.006 -15.745 19.031 1.00 13.65 C ATOM 1493 CD PRO B 84 -16.448 -15.983 18.699 1.00 12.96 C ATOM 1494 N THR B 85 -15.993 -18.407 22.755 1.00 12.71 N ATOM 1495 CA THR B 85 -16.578 -18.617 24.078 1.00 17.51 C ATOM 1496 C THR B 85 -15.789 -17.943 25.191 1.00 21.95 C ATOM 1497 O THR B 85 -16.294 -17.764 26.302 1.00 19.48 O ATOM 1498 CB THR B 85 -16.653 -20.102 24.419 1.00 17.82 C ATOM 1499 OG1 THR B 85 -15.332 -20.650 24.417 1.00 20.60 O ATOM 1500 CG2 THR B 85 -17.503 -20.842 23.401 1.00 19.03 C ATOM 1501 N GLN B 86 -14.546 -17.582 24.901 1.00 18.81 N ATOM 1502 CA GLN B 86 -13.705 -16.941 25.899 1.00 18.94 C ATOM 1503 C GLN B 86 -12.771 -15.945 25.240 1.00 23.12 C ATOM 1504 O GLN B 86 -12.376 -16.122 24.089 1.00 21.11 O ATOM 1505 CB GLN B 86 -12.892 -17.995 26.654 1.00 27.71 C ATOM 1506 CG GLN B 86 -12.908 -17.809 28.163 1.00 38.32 C ATOM 1507 CD GLN B 86 -12.105 -18.862 28.900 1.00 42.50 C ATOM 1508 OE1 GLN B 86 -12.137 -18.930 30.128 1.00 47.65 O ATOM 1509 NE2 GLN B 86 -11.375 -19.687 28.156 1.00 41.59 N ATOM 1510 N GLU B 87 -12.422 -14.893 25.974 1.00 21.66 N ATOM 1511 CA GLU B 87 -11.533 -13.863 25.450 1.00 22.45 C ATOM 1512 C GLU B 87 -10.103 -14.388 25.360 1.00 24.41 C ATOM 1513 O GLU B 87 -9.735 -15.334 26.055 1.00 24.36 O ATOM 1514 CB GLU B 87 -11.587 -12.615 26.341 1.00 29.62 C ATOM 1515 CG GLU B 87 -10.949 -12.779 27.713 1.00 41.37 C ATOM 1516 CD GLU B 87 -11.523 -13.942 28.502 1.00 52.45 C ATOM 1517 OE1 GLU B 87 -12.762 -13.988 28.693 1.00 49.93 O ATOM 1518 OE2 GLU B 87 -10.732 -14.810 28.938 1.00 51.01 O ATOM 1519 N GLY B 88 -9.306 -13.776 24.490 1.00 23.60 N ATOM 1520 CA GLY B 88 -7.929 -14.202 24.328 1.00 20.70 C ATOM 1521 C GLY B 88 -7.487 -14.217 22.879 1.00 23.03 C ATOM 1522 O GLY B 88 -8.215 -13.766 21.995 1.00 17.55 O HETATM 1523 N MSE B 89 -6.286 -14.737 22.639 1.00 20.72 N HETATM 1524 CA MSE B 89 -5.739 -14.817 21.292 1.00 23.81 C HETATM 1525 C MSE B 89 -6.074 -16.156 20.644 1.00 20.00 C HETATM 1526 O MSE B 89 -5.914 -17.208 21.257 1.00 19.40 O HETATM 1527 CB MSE B 89 -4.222 -14.629 21.322 1.00 22.89 C HETATM 1528 CG MSE B 89 -3.776 -13.227 21.678 1.00 38.98 C HETATM 1529 SE MSE B 89 -4.590 -11.884 20.552 1.00 71.76 HETATM 1530 CE MSE B 89 -4.237 -12.680 18.807 1.00 35.10 C ATOM 1531 N TYR B 90 -6.542 -16.113 19.402 1.00 15.06 N ATOM 1532 CA TYR B 90 -6.901 -17.334 18.694 1.00 16.08 C ATOM 1533 C TYR B 90 -6.212 -17.388 17.339 1.00 17.82 C ATOM 1534 O TYR B 90 -6.179 -16.401 16.606 1.00 17.76 O ATOM 1535 CB TYR B 90 -8.421 -17.412 18.515 1.00 16.66 C ATOM 1536 CG TYR B 90 -9.189 -17.710 19.788 1.00 16.10 C ATOM 1537 CD1 TYR B 90 -9.520 -19.023 20.133 1.00 18.25 C ATOM 1538 CD2 TYR B 90 -9.581 -16.685 20.650 1.00 17.48 C ATOM 1539 CE1 TYR B 90 -10.226 -19.310 21.302 1.00 23.28 C ATOM 1540 CE2 TYR B 90 -10.287 -16.963 21.826 1.00 21.81 C ATOM 1541 CZ TYR B 90 -10.606 -18.276 22.145 1.00 25.09 C ATOM 1542 OH TYR B 90 -11.297 -18.560 23.304 1.00 28.31 O ATOM 1543 N ARG B 91 -5.654 -18.546 17.012 1.00 11.40 N ATOM 1544 CA ARG B 91 -4.968 -18.710 15.741 1.00 10.94 C ATOM 1545 C ARG B 91 -5.819 -19.550 14.807 1.00 9.64 C ATOM 1546 O ARG B 91 -6.131 -20.700 15.107 1.00 12.26 O ATOM 1547 CB ARG B 91 -3.618 -19.384 15.970 1.00 11.09 C ATOM 1548 CG ARG B 91 -2.743 -19.480 14.733 1.00 17.10 C ATOM 1549 CD ARG B 91 -1.286 -19.484 15.156 1.00 32.08 C ATOM 1550 NE ARG B 91 -0.928 -18.210 15.780 1.00 39.41 N ATOM 1551 CZ ARG B 91 -0.085 -18.081 16.799 1.00 44.06 C ATOM 1552 NH1 ARG B 91 0.494 -19.152 17.325 1.00 45.92 N ATOM 1553 NH2 ARG B 91 0.181 -16.877 17.288 1.00 47.64 N ATOM 1554 N ILE B 92 -6.210 -18.971 13.683 1.00 7.25 N ATOM 1555 CA ILE B 92 -7.010 -19.704 12.715 1.00 5.52 C ATOM 1556 C ILE B 92 -6.095 -20.172 11.595 1.00 7.42 C ATOM 1557 O ILE B 92 -5.302 -19.392 11.053 1.00 10.04 O ATOM 1558 CB ILE B 92 -8.131 -18.821 12.093 1.00 6.97 C ATOM 1559 CG1 ILE B 92 -9.142 -18.392 13.166 1.00 10.47 C ATOM 1560 CG2 ILE B 92 -8.886 -19.601 11.021 1.00 10.47 C ATOM 1561 CD1 ILE B 92 -8.584 -17.501 14.233 1.00 31.41 C ATOM 1562 N ASN B 93 -6.177 -21.454 11.262 1.00 6.94 N ATOM 1563 CA ASN B 93 -5.374 -22.002 10.172 1.00 4.78 C ATOM 1564 C ASN B 93 -6.330 -22.653 9.184 1.00 8.57 C ATOM 1565 O ASN B 93 -7.358 -23.215 9.567 1.00 11.31 O ATOM 1566 CB ASN B 93 -4.378 -23.071 10.665 1.00 5.66 C ATOM 1567 CG ASN B 93 -3.171 -22.482 11.377 1.00 10.07 C ATOM 1568 OD1 ASN B 93 -3.016 -22.625 12.585 1.00 10.16 O ATOM 1569 ND2 ASN B 93 -2.301 -21.832 10.620 1.00 10.75 N ATOM 1570 N ALA B 94 -6.004 -22.556 7.906 1.00 9.29 N ATOM 1571 CA ALA B 94 -6.816 -23.178 6.870 1.00 6.55 C ATOM 1572 C ALA B 94 -5.820 -23.958 6.032 1.00 10.47 C ATOM 1573 O ALA B 94 -4.709 -23.486 5.787 1.00 11.40 O ATOM 1574 CB ALA B 94 -7.515 -22.114 6.009 1.00 6.77 C ATOM 1575 N THR B 95 -6.196 -25.157 5.616 1.00 7.15 N ATOM 1576 CA THR B 95 -5.310 -25.971 4.800 1.00 5.46 C ATOM 1577 C THR B 95 -6.085 -26.543 3.634 1.00 6.66 C ATOM 1578 O THR B 95 -7.306 -26.686 3.700 1.00 6.48 O ATOM 1579 CB THR B 95 -4.714 -27.178 5.588 1.00 7.18 C ATOM 1580 OG1 THR B 95 -5.754 -28.114 5.905 1.00 7.47 O ATOM 1581 CG2 THR B 95 -4.068 -26.716 6.876 1.00 10.10 C ATOM 1582 N VAL B 96 -5.370 -26.875 2.565 1.00 5.53 N ATOM 1583 CA VAL B 96 -5.999 -27.489 1.406 1.00 7.14 C ATOM 1584 C VAL B 96 -5.119 -28.673 1.003 1.00 12.03 C ATOM 1585 O VAL B 96 -3.891 -28.570 0.959 1.00 11.69 O ATOM 1586 CB VAL B 96 -6.202 -26.474 0.243 1.00 9.31 C ATOM 1587 CG1 VAL B 96 -4.881 -25.861 -0.185 1.00 10.37 C ATOM 1588 CG2 VAL B 96 -6.894 -27.165 -0.930 1.00 11.57 C ATOM 1589 N ASP B 97 -5.768 -29.809 0.761 1.00 10.15 N ATOM 1590 CA ASP B 97 -5.111 -31.071 0.408 1.00 12.15 C ATOM 1591 C ASP B 97 -4.019 -31.462 1.401 1.00 15.72 C ATOM 1592 O ASP B 97 -2.915 -31.859 1.013 1.00 14.12 O ATOM 1593 CB ASP B 97 -4.531 -31.034 -1.006 1.00 10.33 C ATOM 1594 CG ASP B 97 -4.015 -32.396 -1.448 1.00 9.70 C ATOM 1595 OD1 ASP B 97 -4.615 -33.414 -1.040 1.00 15.12 O ATOM 1596 OD2 ASP B 97 -3.030 -32.463 -2.213 1.00 13.11 O ATOM 1597 N GLU B 98 -4.341 -31.363 2.685 1.00 9.98 N ATOM 1598 CA GLU B 98 -3.390 -31.696 3.736 1.00 16.18 C ATOM 1599 C GLU B 98 -2.918 -33.145 3.626 1.00 19.83 C ATOM 1600 O GLU B 98 -1.772 -33.457 3.951 1.00 27.57 O ATOM 1601 CB GLU B 98 -4.019 -31.460 5.108 1.00 13.58 C ATOM 1602 CG GLU B 98 -3.067 -30.845 6.114 1.00 21.19 C ATOM 1603 CD GLU B 98 -3.712 -30.618 7.459 1.00 22.27 C ATOM 1604 OE1 GLU B 98 -4.840 -30.079 7.502 1.00 12.80 O ATOM 1605 OE2 GLU B 98 -3.089 -30.970 8.482 1.00 30.45 O ATOM 1606 N GLU B 99 -3.797 -34.038 3.182 1.00 21.66 N ATOM 1607 CA GLU B 99 -3.410 -35.441 3.036 1.00 28.16 C ATOM 1608 C GLU B 99 -2.598 -35.625 1.751 1.00 29.75 C ATOM 1609 O GLU B 99 -2.102 -36.716 1.470 1.00 35.48 O ATOM 1610 CB GLU B 99 -4.646 -36.343 2.990 1.00 28.40 C ATOM 1611 CG GLU B 99 -5.680 -35.924 1.960 1.00 29.64 C ATOM 1612 CD GLU B 99 -6.669 -34.921 2.516 1.00 37.95 C ATOM 1613 OE1 GLU B 99 -7.492 -35.323 3.365 1.00 44.11 O ATOM 1614 OE2 GLU B 99 -6.618 -33.736 2.115 1.00 34.22 O ATOM 1615 N ASN B 100 -2.462 -34.543 0.991 1.00 20.49 N ATOM 1616 CA ASN B 100 -1.732 -34.534 -0.274 1.00 26.52 C ATOM 1617 C ASN B 100 -2.122 -35.682 -1.200 1.00 23.06 C ATOM 1618 O ASN B 100 -1.309 -36.557 -1.511 1.00 27.53 O ATOM 1619 CB ASN B 100 -0.220 -34.546 -0.030 1.00 33.07 C ATOM 1620 CG ASN B 100 0.578 -34.405 -1.320 1.00 38.58 C ATOM 1621 OD1 ASN B 100 0.213 -33.626 -2.217 1.00 20.58 O ATOM 1622 ND2 ASN B 100 1.679 -35.147 -1.417 1.00 33.59 N ATOM 1623 N THR B 101 -3.376 -35.664 -1.638 1.00 21.94 N ATOM 1624 CA THR B 101 -3.899 -36.679 -2.543 1.00 21.89 C ATOM 1625 C THR B 101 -3.865 -36.149 -3.971 1.00 20.25 C ATOM 1626 O THR B 101 -4.159 -36.872 -4.922 1.00 27.35 O ATOM 1627 CB THR B 101 -5.348 -37.070 -2.182 1.00 20.67 C ATOM 1628 OG1 THR B 101 -6.163 -35.892 -2.109 1.00 23.89 O ATOM 1629 CG2 THR B 101 -5.387 -37.797 -0.845 1.00 30.61 C ATOM 1630 N VAL B 102 -3.514 -34.877 -4.122 1.00 15.27 N ATOM 1631 CA VAL B 102 -3.421 -34.285 -5.448 1.00 16.80 C ATOM 1632 C VAL B 102 -2.039 -33.664 -5.646 1.00 18.51 C ATOM 1633 O VAL B 102 -1.620 -32.763 -4.914 1.00 11.64 O ATOM 1634 CB VAL B 102 -4.586 -33.252 -5.711 1.00 26.28 C ATOM 1635 CG1 VAL B 102 -5.181 -32.776 -4.404 1.00 31.87 C ATOM 1636 CG2 VAL B 102 -4.095 -32.075 -6.550 1.00 19.61 C ATOM 1637 N VAL B 103 -1.314 -34.205 -6.620 1.00 18.25 N ATOM 1638 CA VAL B 103 0.021 -33.728 -6.935 1.00 19.06 C ATOM 1639 C VAL B 103 -0.101 -32.346 -7.544 1.00 11.27 C ATOM 1640 O VAL B 103 -0.850 -32.135 -8.498 1.00 16.92 O ATOM 1641 CB VAL B 103 0.733 -34.667 -7.926 1.00 20.72 C ATOM 1642 CG1 VAL B 103 2.111 -34.117 -8.267 1.00 14.93 C ATOM 1643 CG2 VAL B 103 0.854 -36.051 -7.314 1.00 21.23 C ATOM 1644 N GLU B 104 0.647 -31.407 -6.979 1.00 15.86 N ATOM 1645 CA GLU B 104 0.611 -30.021 -7.418 1.00 10.40 C ATOM 1646 C GLU B 104 1.980 -29.487 -7.805 1.00 13.57 C ATOM 1647 O GLU B 104 3.010 -30.098 -7.510 1.00 15.65 O ATOM 1648 CB GLU B 104 0.070 -29.151 -6.284 1.00 18.60 C ATOM 1649 CG GLU B 104 -1.257 -29.599 -5.700 1.00 11.40 C ATOM 1650 CD GLU B 104 -1.498 -28.971 -4.342 1.00 7.14 C ATOM 1651 OE1 GLU B 104 -1.341 -27.746 -4.225 1.00 8.11 O ATOM 1652 OE2 GLU B 104 -1.839 -29.695 -3.395 1.00 12.60 O ATOM 1653 N LEU B 105 1.987 -28.325 -8.446 1.00 13.53 N ATOM 1654 CA LEU B 105 3.242 -27.696 -8.832 1.00 16.90 C ATOM 1655 C LEU B 105 3.938 -27.241 -7.555 1.00 22.38 C ATOM 1656 O LEU B 105 5.159 -27.306 -7.446 1.00 24.58 O ATOM 1657 CB LEU B 105 2.988 -26.485 -9.726 1.00 13.20 C ATOM 1658 CG LEU B 105 2.333 -26.770 -11.079 1.00 16.50 C ATOM 1659 CD1 LEU B 105 1.954 -25.453 -11.735 1.00 19.34 C ATOM 1660 CD2 LEU B 105 3.299 -27.561 -11.968 1.00 20.83 C ATOM 1661 N ASN B 106 3.147 -26.785 -6.588 1.00 15.28 N ATOM 1662 CA ASN B 106 3.684 -26.314 -5.316 1.00 12.26 C ATOM 1663 C ASN B 106 2.877 -26.956 -4.188 1.00 17.25 C ATOM 1664 O ASN B 106 1.673 -26.743 -4.091 1.00 13.21 O ATOM 1665 CB ASN B 106 3.569 -24.788 -5.244 1.00 17.30 C ATOM 1666 CG ASN B 106 4.334 -24.195 -4.077 1.00 15.39 C ATOM 1667 OD1 ASN B 106 4.549 -24.852 -3.062 1.00 16.78 O ATOM 1668 ND2 ASN B 106 4.736 -22.936 -4.214 1.00 22.14 N ATOM 1669 N GLU B 107 3.529 -27.749 -3.342 1.00 16.42 N ATOM 1670 CA GLU B 107 2.829 -28.411 -2.236 1.00 12.12 C ATOM 1671 C GLU B 107 3.027 -27.628 -0.949 1.00 12.00 C ATOM 1672 O GLU B 107 2.533 -28.018 0.107 1.00 16.25 O ATOM 1673 CB GLU B 107 3.377 -29.826 -2.040 1.00 16.93 C ATOM 1674 CG GLU B 107 3.402 -30.691 -3.295 1.00 17.81 C ATOM 1675 CD GLU B 107 2.023 -31.172 -3.725 1.00 29.96 C ATOM 1676 OE1 GLU B 107 1.953 -32.022 -4.639 1.00 19.67 O ATOM 1677 OE2 GLU B 107 1.015 -30.703 -3.155 1.00 21.16 O ATOM 1678 N ASN B 108 3.731 -26.506 -1.062 1.00 11.99 N ATOM 1679 CA ASN B 108 4.076 -25.683 0.090 1.00 12.29 C ATOM 1680 C ASN B 108 3.384 -24.334 0.221 1.00 15.24 C ATOM 1681 O ASN B 108 3.854 -23.457 0.947 1.00 20.39 O ATOM 1682 CB ASN B 108 5.588 -25.489 0.094 1.00 10.81 C ATOM 1683 CG ASN B 108 6.327 -26.804 0.024 1.00 17.07 C ATOM 1684 OD1 ASN B 108 7.130 -27.044 -0.883 1.00 19.71 O ATOM 1685 ND2 ASN B 108 6.049 -27.676 0.980 1.00 11.33 N ATOM 1686 N ASN B 109 2.274 -24.157 -0.482 1.00 12.48 N ATOM 1687 CA ASN B 109 1.530 -22.909 -0.399 1.00 10.74 C ATOM 1688 C ASN B 109 0.096 -23.315 -0.101 1.00 7.58 C ATOM 1689 O ASN B 109 -0.853 -22.637 -0.483 1.00 12.32 O ATOM 1690 CB ASN B 109 1.624 -22.154 -1.728 1.00 15.42 C ATOM 1691 CG ASN B 109 1.112 -22.968 -2.895 1.00 14.80 C ATOM 1692 OD1 ASN B 109 1.030 -24.193 -2.822 1.00 13.90 O ATOM 1693 ND2 ASN B 109 0.777 -22.290 -3.987 1.00 12.72 N ATOM 1694 N ASN B 110 -0.035 -24.427 0.616 1.00 9.92 N ATOM 1695 CA ASN B 110 -1.333 -25.006 0.953 1.00 12.24 C ATOM 1696 C ASN B 110 -1.840 -24.707 2.356 1.00 12.07 C ATOM 1697 O ASN B 110 -2.814 -25.311 2.790 1.00 10.76 O ATOM 1698 CB ASN B 110 -1.273 -26.527 0.763 1.00 7.88 C ATOM 1699 CG ASN B 110 -1.153 -26.929 -0.695 1.00 13.15 C ATOM 1700 OD1 ASN B 110 -0.397 -26.330 -1.454 1.00 13.48 O ATOM 1701 ND2 ASN B 110 -1.891 -27.957 -1.089 1.00 11.01 N ATOM 1702 N VAL B 111 -1.198 -23.780 3.063 1.00 8.94 N ATOM 1703 CA VAL B 111 -1.612 -23.454 4.424 1.00 11.67 C ATOM 1704 C VAL B 111 -1.701 -21.952 4.654 1.00 14.01 C ATOM 1705 O VAL B 111 -0.857 -21.195 4.174 1.00 12.86 O ATOM 1706 CB VAL B 111 -0.624 -24.053 5.452 1.00 15.01 C ATOM 1707 CG1 VAL B 111 -1.090 -23.757 6.871 1.00 16.51 C ATOM 1708 CG2 VAL B 111 -0.498 -25.552 5.231 1.00 19.55 C ATOM 1709 N ALA B 112 -2.732 -21.529 5.384 1.00 9.33 N ATOM 1710 CA ALA B 112 -2.932 -20.114 5.700 1.00 8.65 C ATOM 1711 C ALA B 112 -3.071 -19.942 7.209 1.00 6.60 C ATOM 1712 O ALA B 112 -3.524 -20.847 7.907 1.00 9.59 O ATOM 1713 CB ALA B 112 -4.173 -19.575 4.992 1.00 14.71 C ATOM 1714 N THR B 113 -2.667 -18.773 7.697 1.00 6.06 N ATOM 1715 CA THR B 113 -2.722 -18.456 9.122 1.00 9.48 C ATOM 1716 C THR B 113 -3.342 -17.071 9.298 1.00 12.26 C ATOM 1717 O THR B 113 -3.024 -16.151 8.551 1.00 13.87 O ATOM 1718 CB THR B 113 -1.303 -18.449 9.739 1.00 12.94 C ATOM 1719 OG1 THR B 113 -0.724 -19.754 9.611 1.00 12.57 O ATOM 1720 CG2 THR B 113 -1.355 -18.066 11.209 1.00 16.62 C ATOM 1721 N PHE B 114 -4.219 -16.931 10.288 1.00 11.33 N ATOM 1722 CA PHE B 114 -4.900 -15.669 10.557 1.00 11.06 C ATOM 1723 C PHE B 114 -5.164 -15.564 12.058 1.00 12.23 C ATOM 1724 O PHE B 114 -5.891 -16.385 12.623 1.00 11.87 O ATOM 1725 CB PHE B 114 -6.221 -15.648 9.776 1.00 13.94 C ATOM 1726 CG PHE B 114 -6.921 -14.321 9.781 1.00 10.42 C ATOM 1727 CD1 PHE B 114 -7.713 -13.938 10.856 1.00 11.30 C ATOM 1728 CD2 PHE B 114 -6.804 -13.462 8.695 1.00 14.91 C ATOM 1729 CE1 PHE B 114 -8.382 -12.715 10.852 1.00 17.00 C ATOM 1730 CE2 PHE B 114 -7.467 -12.235 8.678 1.00 13.84 C ATOM 1731 CZ PHE B 114 -8.261 -11.863 9.760 1.00 16.41 C ATOM 1732 N ASP B 115 -4.572 -14.565 12.710 1.00 10.49 N ATOM 1733 CA ASP B 115 -4.772 -14.387 14.146 1.00 9.29 C ATOM 1734 C ASP B 115 -5.959 -13.485 14.467 1.00 9.13 C ATOM 1735 O ASP B 115 -6.164 -12.450 13.829 1.00 16.61 O ATOM 1736 CB ASP B 115 -3.522 -13.800 14.809 1.00 12.65 C ATOM 1737 CG ASP B 115 -2.434 -14.828 15.020 1.00 24.27 C ATOM 1738 OD1 ASP B 115 -2.733 -16.039 14.953 1.00 25.05 O ATOM 1739 OD2 ASP B 115 -1.282 -14.423 15.270 1.00 22.51 O ATOM 1740 N VAL B 116 -6.732 -13.880 15.470 1.00 9.69 N ATOM 1741 CA VAL B 116 -7.898 -13.113 15.882 1.00 9.43 C ATOM 1742 C VAL B 116 -7.823 -12.800 17.362 1.00 13.82 C ATOM 1743 O VAL B 116 -7.426 -13.642 18.167 1.00 17.11 O ATOM 1744 CB VAL B 116 -9.209 -13.890 15.612 1.00 13.15 C ATOM 1745 CG1 VAL B 116 -10.409 -13.105 16.142 1.00 14.69 C ATOM 1746 CG2 VAL B 116 -9.358 -14.144 14.123 1.00 15.10 C ATOM 1747 N SER B 117 -8.186 -11.574 17.715 1.00 14.78 N ATOM 1748 CA SER B 117 -8.183 -11.173 19.111 1.00 15.80 C ATOM 1749 C SER B 117 -9.627 -11.139 19.576 1.00 12.97 C ATOM 1750 O SER B 117 -10.458 -10.438 18.998 1.00 15.03 O ATOM 1751 CB SER B 117 -7.551 -9.790 19.274 1.00 18.18 C ATOM 1752 OG SER B 117 -7.677 -9.341 20.612 1.00 20.76 O ATOM 1753 N VAL B 118 -9.927 -11.925 20.603 1.00 13.83 N ATOM 1754 CA VAL B 118 -11.271 -11.978 21.157 1.00 14.78 C ATOM 1755 C VAL B 118 -11.240 -11.234 22.481 1.00 16.52 C ATOM 1756 O VAL B 118 -10.445 -11.562 23.361 1.00 16.55 O ATOM 1757 CB VAL B 118 -11.726 -13.429 21.415 1.00 11.69 C ATOM 1758 CG1 VAL B 118 -13.127 -13.430 22.009 1.00 11.39 C ATOM 1759 CG2 VAL B 118 -11.709 -14.220 20.111 1.00 11.33 C ATOM 1760 N VAL B 119 -12.102 -10.233 22.615 1.00 24.90 N ATOM 1761 CA VAL B 119 -12.158 -9.432 23.831 1.00 28.47 C ATOM 1762 C VAL B 119 -13.571 -9.297 24.388 1.00 31.04 C ATOM 1763 O VAL B 119 -14.556 -9.461 23.668 1.00 27.58 O ATOM 1764 CB VAL B 119 -11.588 -8.015 23.584 1.00 35.34 C ATOM 1765 CG1 VAL B 119 -10.114 -8.101 23.216 1.00 34.79 C ATOM 1766 CG2 VAL B 119 -12.367 -7.328 22.482 1.00 25.06 C ATOM 1767 N LEU B 120 -13.656 -8.999 25.682 1.00 40.20 N ATOM 1768 CA LEU B 120 -14.937 -8.834 26.363 1.00 40.81 C ATOM 1769 C LEU B 120 -15.523 -7.463 26.044 1.00 43.26 C ATOM 1770 O LEU B 120 -14.878 -6.639 25.395 1.00 42.41 O ATOM 1771 CB LEU B 120 -14.738 -8.956 27.875 1.00 44.72 C ATOM 1772 CG LEU B 120 -13.910 -10.154 28.348 1.00 45.15 C ATOM 1773 CD1 LEU B 120 -13.583 -9.998 29.823 1.00 47.74 C ATOM 1774 CD2 LEU B 120 -14.673 -11.439 28.090 1.00 47.49 C ATOM 1775 N GLU B 121 -16.745 -7.222 26.506 1.00 47.74 N ATOM 1776 CA GLU B 121 -17.408 -5.946 26.275 1.00 47.81 C ATOM 1777 C GLU B 121 -18.728 -5.859 27.032 1.00 51.21 C ATOM 1778 O GLU B 121 -18.797 -5.264 28.111 1.00 53.93 O ATOM 1779 CB GLU B 121 -17.655 -5.746 24.779 1.00 47.99 C ATOM 1780 CG GLU B 121 -18.497 -6.830 24.139 1.00 42.71 C ATOM 1781 CD GLU B 121 -18.638 -6.643 22.645 1.00 48.31 C ATOM 1782 OE1 GLU B 121 -19.286 -7.493 21.994 1.00 49.25 O ATOM 1783 OE2 GLU B 121 -18.100 -5.645 22.118 1.00 48.99 O TER 1785 GLU B 121 HETATM 1785 MN MN A 180 8.226 4.662 7.713 1.00 9.80 N HETATM 1786 MN MN A 181 7.635 10.540 7.157 1.00 12.87 N TER 1788 MN A 181 HETATM 1788 MN MN B 180 -0.293 -25.813 -3.620 1.00 13.16 N HETATM 1789 MN MN B 181 -1.073 -31.688 -2.877 1.00 12.43 N TER 1791 MN B 181 HETATM 1791 O HOH A-419 2.835 9.312 -0.570 1.00 11.30 O HETATM 1792 O HOH A-414 6.109 2.857 -10.666 1.00 12.89 O HETATM 1793 O HOH A-413 -1.260 13.430 10.130 1.00 13.92 O HETATM 1794 O HOH A-408 1.566 11.287 13.692 1.00 15.87 O HETATM 1795 O HOH A-407 -7.977 11.547 11.083 1.00 21.61 O HETATM 1796 O HOH A-406 -7.713 -0.039 -19.087 1.00 21.01 O HETATM 1797 O HOH A-405 5.500 -4.460 -1.904 1.00 22.01 O HETATM 1798 O HOH A-404 -0.581 -7.369 5.756 1.00 40.35 O HETATM 1799 O HOH A-403 2.925 15.190 11.324 1.00 14.39 O HETATM 1800 O HOH A-402 11.094 5.050 2.081 1.00 17.80 O HETATM 1801 O HOH A-400 -8.873 8.484 0.293 1.00 16.98 O HETATM 1802 O HOH A-398 14.455 0.630 5.952 1.00 15.08 O HETATM 1803 O HOH A-397 13.584 8.563 11.558 1.00 26.14 O HETATM 1804 O HOH A-394 9.798 8.787 3.230 1.00 18.73 O HETATM 1805 O HOH A-388 8.024 10.175 4.886 1.00 14.70 O HETATM 1806 O HOH A-384 5.893 12.458 14.672 1.00 21.59 O HETATM 1807 O HOH A-383 5.406 14.981 12.564 1.00 22.42 O HETATM 1808 O HOH A-381 4.658 10.355 -16.748 1.00 21.04 O HETATM 1809 O HOH A-380 7.759 11.679 -6.624 1.00 29.22 O HETATM 1810 O HOH A-378 -5.150 -3.052 12.219 1.00 21.35 O HETATM 1811 O HOH A-375 -1.324 6.362 -14.589 1.00 14.32 O HETATM 1812 O HOH A-374 4.615 -2.505 15.546 1.00 22.88 O HETATM 1813 O HOH A-373 4.750 5.624 -17.008 1.00 15.73 O HETATM 1814 O HOH A-372 -1.836 1.404 -25.150 1.00 27.18 O HETATM 1815 O HOH A-369 0.954 4.742 -14.883 1.00 18.78 O HETATM 1816 O HOH A-367 10.014 -1.696 8.495 1.00 25.51 O HETATM 1817 O HOH A-361 -2.350 10.679 -2.358 1.00 23.07 O HETATM 1818 O HOH A-359 -4.853 1.802 16.978 1.00 38.06 O HETATM 1819 O HOH A-357 10.078 0.496 12.675 1.00 31.17 O HETATM 1820 O HOH A-356 -10.761 -1.054 -5.979 1.00 41.71 O HETATM 1821 O HOH A-354 6.443 11.744 17.991 1.00 24.05 O HETATM 1822 O HOH A-352 14.234 0.909 0.463 1.00 37.99 O HETATM 1823 O HOH A-351 -0.933 12.847 -5.294 1.00 21.23 O HETATM 1824 O HOH A-350 2.577 -11.730 -6.388 1.00 37.80 O HETATM 1825 O HOH A-349 -9.112 -3.627 -22.106 1.00 44.68 O HETATM 1826 O HOH A-347 -7.807 -0.863 10.184 1.00 26.24 O HETATM 1827 O HOH A-345 3.123 10.977 -12.048 1.00 25.00 O HETATM 1828 O HOH A-344 0.210 3.456 21.772 1.00 20.78 O HETATM 1829 O HOH A-343 10.951 -0.349 -2.486 1.00 28.30 O HETATM 1830 O HOH A-341 10.810 1.217 1.668 1.00 30.98 O HETATM 1831 O HOH A-340 8.021 18.742 1.064 1.00 36.46 O HETATM 1832 O HOH A-339 -7.133 11.405 7.011 1.00 22.95 O HETATM 1833 O HOH A-338 1.662 12.896 4.902 1.00 35.25 O HETATM 1834 O HOH A-337 1.458 -10.597 -3.722 1.00 23.88 O HETATM 1835 O HOH A-335 -8.389 -2.523 5.864 1.00 21.97 O HETATM 1836 O HOH A-332 2.788 -5.173 5.340 1.00 27.04 O HETATM 1837 O HOH A-331 2.786 -2.459 5.045 1.00 16.61 O HETATM 1838 O HOH A-329 6.639 4.014 18.450 1.00 22.37 O HETATM 1839 O HOH A-328 -9.147 1.546 -8.697 1.00 21.30 O HETATM 1840 O HOH A-326 -4.234 0.479 -25.673 1.00 26.38 O HETATM 1841 O HOH A-323 1.007 13.310 11.987 1.00 20.48 O HETATM 1842 O HOH A-322 -9.533 -1.296 8.087 1.00 31.58 O HETATM 1843 O HOH A-321 -7.961 4.808 12.697 1.00 34.37 O HETATM 1844 O HOH A-319 8.642 -3.345 -1.854 1.00 26.09 O HETATM 1845 O HOH A-318 -10.207 10.151 3.574 1.00 34.23 O HETATM 1846 O HOH A-316 -10.160 2.056 12.186 1.00 26.13 O HETATM 1847 O HOH A-315 -8.859 6.572 -3.944 1.00 25.04 O HETATM 1848 O HOH A-313 6.620 -3.614 14.300 1.00 30.02 O HETATM 1849 O HOH A-312 5.667 2.410 -19.577 1.00 34.54 O HETATM 1850 O HOH A-311 3.404 12.102 -15.150 1.00 30.32 O HETATM 1851 O HOH A-309 -10.137 10.713 9.404 1.00 23.48 O HETATM 1852 O HOH A-308 -5.087 -3.477 -25.844 1.00 37.48 O HETATM 1853 O HOH A-307 -9.980 7.238 8.567 1.00 31.88 O HETATM 1854 O HOH A-306 9.285 -0.922 -15.891 1.00 24.67 O HETATM 1855 O HOH A-304 10.340 -2.312 11.683 1.00 28.11 O HETATM 1856 O HOH A-302 -5.739 -1.628 14.601 1.00 27.78 O HETATM 1857 O HOH A-301 -6.653 0.625 -15.407 1.00 28.52 O HETATM 1858 O HOH A-300 -9.008 9.685 6.833 1.00 29.24 O HETATM 1859 O HOH A-299 4.450 -5.629 7.894 1.00 25.23 O HETATM 1860 O HOH A-293 9.882 20.249 0.041 1.00 44.31 O HETATM 1861 O HOH A-292 3.910 13.007 18.514 1.00 26.71 O HETATM 1862 O HOH A-291 6.047 11.034 21.536 1.00 29.75 O HETATM 1863 O HOH A-290 6.269 -14.580 -8.483 1.00 46.97 O HETATM 1864 O HOH A-289 -8.132 -8.547 -3.387 1.00 48.65 O HETATM 1865 O HOH A-287 4.228 0.033 18.383 1.00 34.51 O HETATM 1866 O HOH A-284 -6.744 -9.994 -9.790 1.00 30.25 O HETATM 1867 O HOH A-283 -9.833 -3.612 1.583 1.00 34.52 O HETATM 1868 O HOH A-280 7.563 17.556 -1.287 1.00 31.74 O HETATM 1869 O HOH A-278 5.681 5.795 -19.524 1.00 33.28 O HETATM 1870 O HOH A-271 -9.590 4.104 10.858 1.00 28.24 O HETATM 1871 O HOH A-267 -3.479 -7.899 5.706 1.00 37.35 O HETATM 1872 O HOH A-266 -4.783 -11.856 -15.900 1.00 33.10 O HETATM 1873 O HOH A-263 7.525 8.047 0.590 1.00 34.03 O HETATM 1874 O HOH A-262 13.834 -3.188 15.431 1.00 34.83 O HETATM 1875 O HOH A-261 3.259 -10.975 -1.776 1.00 43.21 O HETATM 1876 O HOH A-259 12.580 0.491 11.215 1.00 28.69 O HETATM 1877 O HOH A-257 1.050 0.886 20.464 1.00 29.13 O HETATM 1878 O HOH A-256 12.027 1.230 14.312 1.00 38.11 O HETATM 1879 O HOH A-255 9.343 -1.080 14.460 1.00 29.18 O HETATM 1880 O HOH A-252 -11.399 -6.384 -18.646 1.00 27.44 O HETATM 1881 O HOH A-248 14.566 5.195 0.971 1.00 19.63 O HETATM 1882 O HOH A-247 12.263 -1.497 4.244 1.00 34.58 O HETATM 1883 O HOH A-245 11.574 1.193 -7.191 1.00 30.48 O HETATM 1884 O HOH A-244 10.863 3.440 -9.396 1.00 32.59 O HETATM 1885 O HOH A-243 -1.980 -10.455 3.250 1.00 36.29 O HETATM 1886 O HOH A-242 0.251 -14.860 -11.236 1.00 42.93 O HETATM 1887 O HOH A-241 6.066 -9.562 -8.556 1.00 39.60 O HETATM 1888 O HOH A-240 -9.792 -1.488 -14.647 1.00 43.97 O HETATM 1889 O HOH A-239 13.104 -2.129 11.718 1.00 36.76 O HETATM 1890 O HOH A-238 -0.846 -12.811 -24.406 1.00 41.55 O HETATM 1891 O HOH A-237 -5.756 -11.303 -22.806 1.00 34.20 O HETATM 1892 O HOH A-226 -8.671 -5.646 5.794 1.00 35.70 O HETATM 1893 O HOH A-219 -6.289 -3.643 -28.157 1.00 36.44 O TER 1895 HOH A-219 HETATM 1895 O HOH B-420 -6.811 -29.993 3.915 1.00 8.88 O HETATM 1896 O HOH B-418 -5.112 -23.221 14.375 1.00 8.22 O HETATM 1897 O HOH B-417 -17.036 -26.856 -4.299 1.00 13.34 O HETATM 1898 O HOH B-416 -17.251 -29.606 9.232 1.00 15.77 O HETATM 1899 O HOH B-415 -9.191 -34.151 -7.422 1.00 12.99 O HETATM 1900 O HOH B-412 1.751 -26.441 2.325 1.00 18.78 O HETATM 1901 O HOH B-411 -7.437 -33.446 -0.547 1.00 16.96 O HETATM 1902 O HOH B-410 1.364 -21.924 2.802 1.00 16.17 O HETATM 1903 O HOH B-409 -4.549 -15.958 5.203 1.00 21.88 O HETATM 1904 O HOH B-401 -6.059 -27.817 -19.282 1.00 16.85 O HETATM 1905 O HOH B-399 0.368 -19.881 6.884 1.00 23.80 O HETATM 1906 O HOH B-396 6.167 -28.760 -4.219 1.00 28.67 O HETATM 1907 O HOH B-395 -9.365 -14.004 -2.780 1.00 13.64 O HETATM 1908 O HOH B-393 -2.969 -18.542 19.674 1.00 19.83 O HETATM 1909 O HOH B-392 -2.644 -12.814 11.380 1.00 19.85 O HETATM 1910 O HOH B-391 0.666 -21.653 15.781 1.00 20.27 O HETATM 1911 O HOH B-390 -5.884 -32.476 -10.554 1.00 21.92 O HETATM 1912 O HOH B-389 -14.225 -32.823 3.883 1.00 24.27 O HETATM 1913 O HOH B-387 -2.772 -36.059 -8.297 1.00 21.70 O HETATM 1914 O HOH B-386 -14.379 -20.597 21.059 1.00 22.62 O HETATM 1915 O HOH B-385 -9.629 -9.899 6.110 1.00 22.90 O HETATM 1916 O HOH B-382 -18.633 -21.445 17.122 1.00 21.55 O HETATM 1917 O HOH B-379 6.486 -30.265 1.451 1.00 16.99 O HETATM 1918 O HOH B-377 -17.317 -12.567 17.414 1.00 25.21 O HETATM 1919 O HOH B-376 -6.511 -18.643 -9.619 1.00 25.51 O HETATM 1920 O HOH B-371 -2.136 -33.947 -10.114 1.00 30.70 O HETATM 1921 O HOH B-370 -9.043 -31.532 16.406 1.00 19.76 O HETATM 1922 O HOH B-368 -15.777 -32.610 -5.210 1.00 22.82 O HETATM 1923 O HOH B-366 -2.056 -17.893 1.537 1.00 27.65 O HETATM 1924 O HOH B-365 1.081 -30.232 0.815 1.00 16.68 O HETATM 1925 O HOH B-364 -1.304 -17.150 5.851 1.00 23.06 O HETATM 1926 O HOH B-363 -19.608 -22.641 10.311 1.00 26.80 O HETATM 1927 O HOH B-362 -4.892 -11.089 11.891 1.00 19.49 O HETATM 1928 O HOH B-360 -15.896 -32.364 -9.438 1.00 15.86 O HETATM 1929 O HOH B-358 -12.079 -21.766 30.116 1.00 32.95 O HETATM 1930 O HOH B-355 -9.090 -11.721 -1.738 1.00 37.65 O HETATM 1931 O HOH B-353 -15.687 -12.030 6.681 1.00 19.05 O HETATM 1932 O HOH B-348 1.539 -19.409 -4.447 1.00 25.22 O HETATM 1933 O HOH B-346 -0.245 -22.441 13.398 1.00 28.32 O HETATM 1934 O HOH B-342 -3.292 -15.853 18.331 1.00 27.17 O HETATM 1935 O HOH B-336 -22.457 -18.048 3.278 1.00 40.16 O HETATM 1936 O HOH B-334 -15.522 -36.159 -4.259 1.00 44.77 O HETATM 1937 O HOH B-333 -10.295 -34.061 8.762 1.00 33.81 O HETATM 1938 O HOH B-330 -0.850 -31.108 -0.723 1.00 13.52 O HETATM 1939 O HOH B-327 -0.521 -25.671 -15.121 1.00 17.69 O HETATM 1940 O HOH B-325 -6.703 -34.196 -8.706 1.00 22.83 O HETATM 1941 O HOH B-324 -10.803 -36.559 -7.647 1.00 21.35 O HETATM 1942 O HOH B-320 -9.659 -7.813 9.627 1.00 22.41 O HETATM 1943 O HOH B-317 -21.786 -17.863 22.917 1.00 31.72 O HETATM 1944 O HOH B-314 -6.260 -31.108 16.746 1.00 17.15 O HETATM 1945 O HOH B-310 -19.889 -29.660 8.519 1.00 28.47 O HETATM 1946 O HOH B-305 3.962 -33.877 -4.529 1.00 28.38 O HETATM 1947 O HOH B-303 -8.114 -13.662 -4.778 1.00 35.49 O HETATM 1948 O HOH B-298 -19.241 -21.388 -1.305 1.00 29.19 O HETATM 1949 O HOH B-297 -2.321 -16.600 -4.723 1.00 35.12 O HETATM 1950 O HOH B-296 2.333 -22.323 -8.451 1.00 28.64 O HETATM 1951 O HOH B-295 3.518 -22.784 4.681 1.00 40.15 O HETATM 1952 O HOH B-294 -17.320 -18.869 -4.499 1.00 27.27 O HETATM 1953 O HOH B-288 -15.805 -20.264 -8.680 1.00 32.23 O HETATM 1954 O HOH B-286 -0.661 -12.059 13.562 1.00 31.13 O HETATM 1955 O HOH B-285 -22.523 -19.574 0.939 1.00 32.92 O HETATM 1956 O HOH B-282 5.783 -22.704 2.943 1.00 29.45 O HETATM 1957 O HOH B-281 4.663 -21.910 -17.547 1.00 37.77 O HETATM 1958 O HOH B-279 -4.784 -16.050 25.069 1.00 35.33 O HETATM 1959 O HOH B-277 -8.389 -22.268 22.243 1.00 32.59 O HETATM 1960 O HOH B-276 7.874 -20.687 -12.920 1.00 40.00 O HETATM 1961 O HOH B-275 -5.977 -8.975 16.076 1.00 35.62 O HETATM 1962 O HOH B-274 -6.202 -24.559 -18.688 1.00 35.92 O HETATM 1963 O HOH B-273 -6.284 -5.128 11.128 1.00 35.23 O HETATM 1964 O HOH B-272 -17.300 -31.117 -3.718 1.00 35.31 O HETATM 1965 O HOH B-270 -17.297 -11.713 0.115 1.00 37.21 O HETATM 1966 O HOH B-269 5.408 -32.414 0.093 1.00 27.23 O HETATM 1967 O HOH B-268 -5.686 -11.393 -1.275 1.00 45.21 O HETATM 1968 O HOH B-265 -0.285 -25.628 -18.601 1.00 48.22 O HETATM 1969 O HOH B-264 -6.925 -18.831 23.410 1.00 38.98 O HETATM 1970 O HOH B-260 -11.075 -21.867 -15.982 1.00 44.68 O HETATM 1971 O HOH B-258 -4.009 -33.590 -12.042 1.00 28.68 O HETATM 1972 O HOH B-254 -2.214 -12.515 -5.197 1.00 37.55 O HETATM 1973 O HOH B-253 -3.264 -11.415 -3.310 1.00 41.16 O HETATM 1974 O HOH B-251 -5.520 -8.778 4.264 1.00 41.86 O HETATM 1975 O HOH B-250 -7.207 -8.828 8.464 1.00 30.37 O HETATM 1976 O HOH B-249 -7.578 -6.598 20.838 1.00 33.11 O HETATM 1977 O HOH B-246 -10.441 -8.969 26.630 1.00 42.17 O HETATM 1978 O HOH B-236 -0.613 -28.701 -24.272 1.00 29.51 O HETATM 1979 O HOH B-235 -0.414 -26.035 -22.130 1.00 33.88 O HETATM 1980 O HOH B-234 0.912 -23.712 -15.212 1.00 45.72 O HETATM 1981 O HOH B-233 -0.642 -36.585 -10.801 1.00 34.61 O HETATM 1982 O HOH B-232 -6.116 -17.836 -2.286 1.00 33.32 O HETATM 1983 O HOH B-231 -17.808 -12.206 4.890 1.00 23.97 O HETATM 1984 O HOH B-230 -17.936 -13.426 -1.733 1.00 24.48 O HETATM 1985 O HOH B-229 -12.841 -18.028 -10.066 1.00 29.02 O HETATM 1986 O HOH B-228 -14.259 -15.570 -12.998 1.00 38.26 O HETATM 1987 O HOH B-227 -6.982 -5.540 8.605 1.00 41.70 O HETATM 1988 O HOH B-225 -18.428 -9.738 24.333 1.00 31.14 O HETATM 1989 O HOH B-224 -12.248 -36.015 6.474 1.00 32.06 O HETATM 1990 O HOH B-223 -4.589 -32.792 9.465 1.00 38.43 O HETATM 1991 O HOH B-222 -10.159 -22.400 -18.819 1.00 29.69 O HETATM 1992 O HOH B-221 -6.519 -22.182 -17.812 1.00 33.91 O HETATM 1993 O HOH B-220 -12.044 -12.047 -3.045 1.00 37.64 O HETATM 1994 O HOH B-218 -21.715 -17.034 7.710 1.00 47.58 O HETATM 1995 O HOH B-217 -21.355 -19.389 6.360 1.00 47.82 O HETATM 1996 O HOH B-216 -14.175 -22.279 27.435 1.00 25.17 O HETATM 1997 O HOH B-215 -8.012 -8.259 25.575 1.00 37.48 O HETATM 1998 O HOH B-214 -0.510 -18.514 3.870 1.00 33.00 O HETATM 1999 O HOH B-213 -0.083 -29.696 3.505 1.00 37.59 O HETATM 2000 O HOH B-212 6.233 -33.303 -2.954 1.00 33.22 O TER 2001 HOH B-212 ENDMDL MASTER END