USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 485 hydrogens (0 hets) HEADER LIGASE 09-DEC-19 6LHN TITLE RLGSGG-ATPRT6 UBR BOX COMPND MOL_ID: 1; COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE PRT6; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UBR BOX; COMPND 5 SYNONYM: PROTEIN GREENING AFTER EXTENDED DARKNESS 1,PROTEIN COMPND 6 PROTEOLYSIS 6,RING-TYPE E3 UBIQUITIN TRANSFERASE PRT6; COMPND 7 EC: 2.3.2.27; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; SOURCE 3 ORGANISM_COMMON: MOUSE-EAR CRESS; SOURCE 4 ORGANISM_TAXID: 3702; SOURCE 5 GENE: PRT6, CER3, GED1, AT5G02310/AT5G02300, T1E22.70/T1E22.60; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS PRT6, ARABIDOPSIS THALIANA, LIGASE EXPDTA X-RAY DIFFRACTION AUTHOR L.KIM,D.H.KWON,H.K.SONG REVDAT 1 22-JAN-20 6LHN 0 JRNL AUTH L.KIM,D.H.KWON,J.HEO,M.R.PARK,H.K.SONG JRNL TITL USE OF THE LC3B-FUSION TECHNIQUE FOR BIOCHEMICAL AND JRNL TITL 2 STRUCTURAL STUDIES OF PROTEINS INVOLVED IN THE N-DEGRON JRNL TITL 3 PATHWAY. JRNL REF J.BIOL.CHEM. 2020 JRNL REFN ESSN 1083-351X JRNL PMID 31919097 JRNL DOI 10.1074/JBC.RA119.010912 REMARK 2 REMARK 2 RESOLUTION. 2.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (1.14_3260: ???) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 38.95 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.360 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.5 REMARK 3 NUMBER OF REFLECTIONS : 5522 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.216 REMARK 3 R VALUE (WORKING SET) : 0.213 REMARK 3 FREE R VALUE : 0.250 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.010 REMARK 3 FREE R VALUE TEST SET COUNT : 553 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 38.9500 - 3.9658 0.99 1319 147 0.2021 0.2229 REMARK 3 2 3.9658 - 3.1481 0.99 1239 138 0.2038 0.2514 REMARK 3 3 3.1481 - 2.7502 1.00 1207 134 0.2381 0.3107 REMARK 3 4 2.7502 - 2.5000 1.00 1204 134 0.2486 0.2883 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.270 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 23.400 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.012 576 REMARK 3 ANGLE : 1.242 780 REMARK 3 CHIRALITY : 0.058 76 REMARK 3 PLANARITY : 0.008 107 REMARK 3 DIHEDRAL : 10.762 326 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 6LHN COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 12-DEC-19. REMARK 100 THE DEPOSITION ID IS D_1300014788. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 24-NOV-19 REMARK 200 TEMPERATURE (KELVIN) : 193 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : PAL/PLS REMARK 200 BEAMLINE : 5C (4A) REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS EIGER X 9M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 5522 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.499 REMARK 200 RESOLUTION RANGE LOW (A) : 42.670 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 REMARK 200 DATA REDUNDANCY : 9.000 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 16.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.50 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.59 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHENIX REMARK 200 STARTING MODEL: 6KGG REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 72.36 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.45 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1.6M AMMONIUM SULFATE, 0.1M MES PH6.5, REMARK 280 VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 3 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 5555 Z,X,Y REMARK 290 6555 Z+1/2,-X+1/2,-Y REMARK 290 7555 -Z+1/2,-X,Y+1/2 REMARK 290 8555 -Z,X+1/2,-Y+1/2 REMARK 290 9555 Y,Z,X REMARK 290 10555 -Y,Z+1/2,-X+1/2 REMARK 290 11555 Y+1/2,-Z+1/2,-X REMARK 290 12555 -Y+1/2,-Z,X+1/2 REMARK 290 13555 Y+1/4,X+3/4,-Z+3/4 REMARK 290 14555 -Y+1/4,-X+1/4,-Z+1/4 REMARK 290 15555 Y+3/4,-X+3/4,Z+1/4 REMARK 290 16555 -Y+3/4,X+1/4,Z+3/4 REMARK 290 17555 X+1/4,Z+3/4,-Y+3/4 REMARK 290 18555 -X+3/4,Z+1/4,Y+3/4 REMARK 290 19555 -X+1/4,-Z+1/4,-Y+1/4 REMARK 290 20555 X+3/4,-Z+3/4,Y+1/4 REMARK 290 21555 Z+1/4,Y+3/4,-X+3/4 REMARK 290 22555 Z+3/4,-Y+3/4,X+1/4 REMARK 290 23555 -Z+3/4,Y+1/4,X+3/4 REMARK 290 24555 -Z+1/4,-Y+1/4,-X+1/4 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 47.70700 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 47.70700 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 47.70700 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 47.70700 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 47.70700 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 47.70700 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 47.70700 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 47.70700 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 47.70700 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 47.70700 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 47.70700 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 47.70700 REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 47.70700 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 47.70700 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 47.70700 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 47.70700 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 47.70700 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 47.70700 REMARK 290 SMTRY1 13 0.000000 1.000000 0.000000 23.85350 REMARK 290 SMTRY2 13 1.000000 0.000000 0.000000 71.56050 REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 71.56050 REMARK 290 SMTRY1 14 0.000000 -1.000000 0.000000 23.85350 REMARK 290 SMTRY2 14 -1.000000 0.000000 0.000000 23.85350 REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 23.85350 REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 71.56050 REMARK 290 SMTRY2 15 -1.000000 0.000000 0.000000 71.56050 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 23.85350 REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 71.56050 REMARK 290 SMTRY2 16 1.000000 0.000000 0.000000 23.85350 REMARK 290 SMTRY3 16 0.000000 0.000000 1.000000 71.56050 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 23.85350 REMARK 290 SMTRY2 17 0.000000 0.000000 1.000000 71.56050 REMARK 290 SMTRY3 17 0.000000 -1.000000 0.000000 71.56050 REMARK 290 SMTRY1 18 -1.000000 0.000000 0.000000 71.56050 REMARK 290 SMTRY2 18 0.000000 0.000000 1.000000 23.85350 REMARK 290 SMTRY3 18 0.000000 1.000000 0.000000 71.56050 REMARK 290 SMTRY1 19 -1.000000 0.000000 0.000000 23.85350 REMARK 290 SMTRY2 19 0.000000 0.000000 -1.000000 23.85350 REMARK 290 SMTRY3 19 0.000000 -1.000000 0.000000 23.85350 REMARK 290 SMTRY1 20 1.000000 0.000000 0.000000 71.56050 REMARK 290 SMTRY2 20 0.000000 0.000000 -1.000000 71.56050 REMARK 290 SMTRY3 20 0.000000 1.000000 0.000000 23.85350 REMARK 290 SMTRY1 21 0.000000 0.000000 1.000000 23.85350 REMARK 290 SMTRY2 21 0.000000 1.000000 0.000000 71.56050 REMARK 290 SMTRY3 21 -1.000000 0.000000 0.000000 71.56050 REMARK 290 SMTRY1 22 0.000000 0.000000 1.000000 71.56050 REMARK 290 SMTRY2 22 0.000000 -1.000000 0.000000 71.56050 REMARK 290 SMTRY3 22 1.000000 0.000000 0.000000 23.85350 REMARK 290 SMTRY1 23 0.000000 0.000000 -1.000000 71.56050 REMARK 290 SMTRY2 23 0.000000 1.000000 0.000000 23.85350 REMARK 290 SMTRY3 23 1.000000 0.000000 0.000000 71.56050 REMARK 290 SMTRY1 24 0.000000 0.000000 -1.000000 23.85350 REMARK 290 SMTRY2 24 0.000000 -1.000000 0.000000 23.85350 REMARK 290 SMTRY3 24 -1.000000 0.000000 0.000000 23.85350 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1400 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 7840 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -4.0 KCAL/MOL 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 BIOMT1 2 0.000000 0.000000 1.000000 -23.85350 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 -23.85350 REMARK 350 BIOMT3 2 1.000000 0.000000 0.000000 23.85350 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 GLY A 189 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 LEU A 114 -80.00 -60.37 REMARK 500 HIS A 187 47.67 -146.41 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 202 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 121 SG REMARK 620 2 CYS A 146 SG 114.9 REMARK 620 3 CYS A 149 SG 110.6 98.1 REMARK 620 4 CYS A 170 SG 104.8 113.5 115.3 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 203 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 134 SG REMARK 620 2 CYS A 137 SG 116.4 REMARK 620 3 HIS A 155 ND1 122.6 103.1 REMARK 620 4 HIS A 158 ND1 108.3 104.6 99.4 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 201 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 149 SG REMARK 620 2 CYS A 172 SG 109.9 REMARK 620 3 CYS A 184 SG 115.7 104.4 REMARK 620 4 HIS A 187 ND1 114.4 118.1 93.1 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 203 DBREF 6LHN A 119 189 UNP F4KCC2 PRT6_ARATH 119 189 SEQADV 6LHN ARG A 113 UNP F4KCC2 EXPRESSION TAG SEQADV 6LHN LEU A 114 UNP F4KCC2 EXPRESSION TAG SEQADV 6LHN GLY A 115 UNP F4KCC2 EXPRESSION TAG SEQADV 6LHN SER A 116 UNP F4KCC2 EXPRESSION TAG SEQADV 6LHN GLY A 117 UNP F4KCC2 EXPRESSION TAG SEQADV 6LHN GLY A 118 UNP F4KCC2 EXPRESSION TAG SEQRES 1 A 77 ARG LEU GLY SER GLY GLY GLY VAL CYS GLY SER VAL TRP SEQRES 2 A 77 GLY GLN ASN ASP ILE ALA TYR ARG CYS ARG THR CYS GLU SEQRES 3 A 77 ASN ASP PRO THR CYS ALA ILE CYS VAL PRO CYS PHE GLN SEQRES 4 A 77 ASN GLY ASP HIS ASN SER HIS ASP TYR SER ILE ILE TYR SEQRES 5 A 77 THR GLY GLY GLY CYS CYS ASP CYS GLY ASP GLU THR ALA SEQRES 6 A 77 TRP LYS PRO ASP GLY PHE CYS SER ASN HIS LYS GLY HET ZN A 201 1 HET ZN A 202 1 HET ZN A 203 1 HETNAM ZN ZINC ION FORMUL 2 ZN 3(ZN 2+) HELIX 1 AA1 VAL A 147 ASN A 152 1 6 HELIX 2 AA2 LYS A 179 PHE A 183 5 5 HELIX 3 AA3 CYS A 184 LYS A 188 5 5 SHEET 1 AA1 2 VAL A 124 TRP A 125 0 SHEET 2 AA1 2 GLY A 168 CYS A 169 -1 O GLY A 168 N TRP A 125 SHEET 1 AA2 3 ILE A 145 CYS A 146 0 SHEET 2 AA2 3 ASP A 129 CYS A 134 -1 N TYR A 132 O ILE A 145 SHEET 3 AA2 3 TYR A 160 THR A 165 -1 O ILE A 163 N ALA A 131 LINK SG CYS A 121 ZN ZN A 202 1555 1555 2.39 LINK SG CYS A 134 ZN ZN A 203 1555 1555 2.37 LINK SG CYS A 137 ZN ZN A 203 1555 1555 2.29 LINK SG CYS A 146 ZN ZN A 202 1555 1555 2.43 LINK SG CYS A 149 ZN ZN A 201 1555 1555 2.36 LINK SG CYS A 149 ZN ZN A 202 1555 1555 2.34 LINK ND1 HIS A 155 ZN ZN A 203 1555 1555 1.99 LINK ND1 HIS A 158 ZN ZN A 203 1555 1555 2.01 LINK SG CYS A 170 ZN ZN A 202 1555 1555 2.36 LINK SG CYS A 172 ZN ZN A 201 1555 1555 2.34 LINK SG CYS A 184 ZN ZN A 201 1555 1555 2.45 LINK ND1 HIS A 187 ZN ZN A 201 1555 1555 2.10 SITE *** AC1 4 CYS A 149 CYS A 172 CYS A 184 HIS A 187 SITE *** AC2 4 CYS A 121 CYS A 146 CYS A 149 CYS A 170 SITE *** AC3 4 CYS A 134 CYS A 137 HIS A 155 HIS A 158 CRYST1 95.414 95.414 95.414 90.00 90.00 90.00 P 43 3 2 24 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 0.010481 0.000000 0.000000 0.00000 SCALE2 0.000000 0.010481 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010481 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 155 HIS HD1 : A 155 HIS ND1 : A 203 ZNZN :(H bumps) USER MOD NoAdj-H: A 158 HIS HD1 : A 158 HIS ND1 : A 203 ZNZN :(H bumps) USER MOD NoAdj-H: A 187 HIS HD1 : A 187 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 132 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 151 GLN : amide:sc= -0.0903 K(o=-0.09,f=-0.71) USER MOD Single : A 116 SER OG : rot 178:sc= 0.368 USER MOD Single : A 123 SER OG : rot 86:sc= 1.42 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 ASN : amide:sc= -0.451 K(o=-0.45,f=-1.2) USER MOD Single : A 136 THR OG1 : rot -140:sc= 0.221 USER MOD Single : A 139 ASN : amide:sc= -0.491 K(o=-0.49,f=-1.2) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 CYS SG : rot -158:sc= 0.944 USER MOD Single : A 152 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.3!) USER MOD Single : A 156 ASN : amide:sc= -2.58! C(o=-2.6!,f=-6.1!) USER MOD Single : A 157 SER OG : rot 180:sc= 0 USER MOD Single : A 160 TYR OH : rot 180:sc= 0 USER MOD Single : A 161 SER OG : rot 180:sc= 0 USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 165 THR OG1 : rot -158:sc= 0.205 USER MOD Single : A 169 CYS SG : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot -53:sc= -0.818! USER MOD Single : A 179 LYS NZ :NH3+ -171:sc= -0.261 (180deg=-0.574) USER MOD Single : A 185 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 186 ASN : amide:sc= -0.0663 X(o=-0.066,f=-0.062) USER MOD Single : A 188 LYS NZ :NH3+ -128:sc= -0.802 (180deg=-2.35!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 113 -18.117 -10.745 10.756 1.00 38.35 N ATOM 2 CA ARG A 113 -19.391 -11.377 10.365 1.00 37.54 C ATOM 3 C ARG A 113 -19.634 -12.590 11.250 1.00 42.70 C ATOM 4 O ARG A 113 -18.729 -13.042 11.898 1.00 35.94 O ATOM 5 CB ARG A 113 -19.360 -11.741 8.892 1.00 37.81 C ATOM 6 CG ARG A 113 -20.124 -10.795 7.992 1.00 42.58 C ATOM 7 CD ARG A 113 -19.885 -11.159 6.561 1.00 40.24 C ATOM 8 NE ARG A 113 -20.293 -10.116 5.665 1.00 58.80 N ATOM 9 CZ ARG A 113 -19.483 -9.260 5.105 1.00 43.22 C ATOM 10 NH1 ARG A 113 -18.198 -9.325 5.329 1.00 57.72 N ATOM 11 NH2 ARG A 113 -19.955 -8.337 4.317 1.00 53.54 N ATOM 0 HA ARG A 113 -20.127 -10.758 10.491 1.00 37.54 H new ATOM 0 HB2 ARG A 113 -18.436 -11.772 8.598 1.00 37.81 H new ATOM 0 HB3 ARG A 113 -19.722 -12.634 8.784 1.00 37.81 H new ATOM 0 HG2 ARG A 113 -21.072 -10.839 8.192 1.00 42.58 H new ATOM 0 HG3 ARG A 113 -19.842 -9.881 8.154 1.00 42.58 H new ATOM 0 HD2 ARG A 113 -18.943 -11.347 6.429 1.00 40.24 H new ATOM 0 HD3 ARG A 113 -20.369 -11.973 6.350 1.00 40.24 H new ATOM 0 HE ARG A 113 -21.131 -10.050 5.484 1.00 58.80 H new ATOM 0 HH11 ARG A 113 -17.882 -9.934 5.848 1.00 57.72 H new ATOM 0 HH12 ARG A 113 -17.668 -8.759 4.958 1.00 57.72 H new ATOM 0 HH21 ARG A 113 -20.800 -8.292 4.166 1.00 53.54 H new ATOM 0 HH22 ARG A 113 -19.421 -7.773 3.948 1.00 53.54 H new ATOM 24 N LEU A 114 -20.831 -13.124 11.220 1.00 38.54 N ATOM 25 CA LEU A 114 -21.207 -14.234 12.115 1.00 45.34 C ATOM 26 C LEU A 114 -20.324 -15.450 11.887 1.00 48.64 C ATOM 27 O LEU A 114 -19.479 -15.694 12.720 1.00 62.97 O ATOM 28 CB LEU A 114 -22.697 -14.540 11.997 1.00 37.76 C ATOM 29 CG LEU A 114 -23.547 -13.656 12.880 1.00 42.25 C ATOM 30 CD1 LEU A 114 -25.004 -13.956 12.747 1.00 41.03 C ATOM 31 CD2 LEU A 114 -23.107 -13.784 14.302 1.00 41.71 C ATOM 0 H LEU A 114 -21.458 -12.868 10.690 1.00 38.54 H new ATOM 0 HA LEU A 114 -21.052 -13.961 13.033 1.00 45.34 H new ATOM 0 HB2 LEU A 114 -22.974 -14.430 11.074 1.00 37.76 H new ATOM 0 HB3 LEU A 114 -22.852 -15.469 12.231 1.00 37.76 H new ATOM 0 HG LEU A 114 -23.422 -12.740 12.587 1.00 42.25 H new ATOM 0 HD11 LEU A 114 -25.510 -13.368 13.329 1.00 41.03 H new ATOM 0 HD12 LEU A 114 -25.281 -13.817 11.828 1.00 41.03 H new ATOM 0 HD13 LEU A 114 -25.169 -14.878 12.998 1.00 41.03 H new ATOM 0 HD21 LEU A 114 -23.656 -13.215 14.863 1.00 41.71 H new ATOM 0 HD22 LEU A 114 -23.200 -14.706 14.588 1.00 41.71 H new ATOM 0 HD23 LEU A 114 -22.178 -13.515 14.379 1.00 41.71 H new ATOM 43 N GLY A 115 -20.533 -16.273 10.892 1.00 42.53 N ATOM 44 CA GLY A 115 -19.666 -17.443 10.710 1.00 59.49 C ATOM 45 C GLY A 115 -19.684 -18.527 11.776 1.00 47.43 C ATOM 46 O GLY A 115 -20.438 -18.543 12.687 1.00 57.75 O ATOM 0 H GLY A 115 -21.159 -16.188 10.309 1.00 42.53 H new ATOM 0 HA2 GLY A 115 -19.900 -17.856 9.864 1.00 59.49 H new ATOM 0 HA3 GLY A 115 -18.753 -17.125 10.627 1.00 59.49 H new ATOM 50 N SER A 116 -18.846 -19.501 11.573 1.00 46.43 N ATOM 51 CA SER A 116 -18.727 -20.671 12.447 1.00 55.64 C ATOM 52 C SER A 116 -17.507 -20.522 13.323 1.00 52.23 C ATOM 53 O SER A 116 -16.684 -19.686 13.071 1.00 56.79 O ATOM 54 CB SER A 116 -18.660 -21.915 11.663 1.00 51.81 C ATOM 55 OG SER A 116 -17.336 -22.217 11.333 1.00 58.37 O ATOM 0 H SER A 116 -18.304 -19.518 10.905 1.00 46.43 H new ATOM 0 HA SER A 116 -19.517 -20.724 13.008 1.00 55.64 H new ATOM 0 HB2 SER A 116 -19.047 -22.645 12.172 1.00 51.81 H new ATOM 0 HB3 SER A 116 -19.187 -21.822 10.854 1.00 51.81 H new ATOM 0 HG SER A 116 -17.311 -22.941 10.907 1.00 58.37 H new ATOM 61 N GLY A 117 -17.475 -21.317 14.358 1.00 55.16 N ATOM 62 CA GLY A 117 -16.352 -21.389 15.251 1.00 57.53 C ATOM 63 C GLY A 117 -15.504 -22.625 15.017 1.00 66.57 C ATOM 64 O GLY A 117 -15.434 -23.183 13.912 1.00 74.42 O ATOM 0 H GLY A 117 -18.121 -21.844 14.569 1.00 55.16 H new ATOM 0 HA2 GLY A 117 -15.803 -20.597 15.140 1.00 57.53 H new ATOM 0 HA3 GLY A 117 -16.670 -21.387 16.167 1.00 57.53 H new ATOM 68 N GLY A 118 -14.850 -23.067 16.068 1.00 59.33 N ATOM 69 CA GLY A 118 -14.115 -24.308 15.976 1.00 52.16 C ATOM 70 C GLY A 118 -12.798 -24.077 15.295 1.00 61.63 C ATOM 71 O GLY A 118 -12.097 -23.091 15.577 1.00 65.47 O ATOM 0 H GLY A 118 -14.817 -22.673 16.832 1.00 59.33 H new ATOM 0 HA2 GLY A 118 -13.969 -24.672 16.863 1.00 52.16 H new ATOM 0 HA3 GLY A 118 -14.632 -24.963 15.482 1.00 52.16 H new ATOM 75 N GLY A 119 -12.453 -24.975 14.381 1.00 56.55 N ATOM 76 CA GLY A 119 -11.138 -24.967 13.771 1.00 51.27 C ATOM 77 C GLY A 119 -11.053 -24.101 12.534 1.00 50.51 C ATOM 78 O GLY A 119 -10.955 -24.618 11.415 1.00 58.10 O ATOM 0 H GLY A 119 -12.972 -25.601 14.101 1.00 56.55 H new ATOM 0 HA2 GLY A 119 -10.489 -24.655 14.421 1.00 51.27 H new ATOM 0 HA3 GLY A 119 -10.891 -25.876 13.539 1.00 51.27 H new ATOM 82 N VAL A 120 -11.101 -22.781 12.736 1.00 52.86 N ATOM 83 CA VAL A 120 -10.994 -21.782 11.680 1.00 57.59 C ATOM 84 C VAL A 120 -9.656 -21.080 11.832 1.00 56.72 C ATOM 85 O VAL A 120 -9.139 -20.921 12.941 1.00 59.96 O ATOM 86 CB VAL A 120 -12.147 -20.759 11.741 1.00 49.80 C ATOM 87 CG1 VAL A 120 -13.481 -21.457 11.533 1.00 59.45 C ATOM 88 CG2 VAL A 120 -12.131 -20.034 13.062 1.00 62.71 C ATOM 0 H VAL A 120 -11.200 -22.436 13.518 1.00 52.86 H new ATOM 0 HA VAL A 120 -11.054 -22.221 10.817 1.00 57.59 H new ATOM 0 HB VAL A 120 -12.026 -20.109 11.031 1.00 49.80 H new ATOM 0 HG11 VAL A 120 -14.198 -20.805 11.573 1.00 59.45 H new ATOM 0 HG12 VAL A 120 -13.488 -21.891 10.665 1.00 59.45 H new ATOM 0 HG13 VAL A 120 -13.610 -22.122 12.227 1.00 59.45 H new ATOM 0 HG21 VAL A 120 -12.859 -19.394 13.089 1.00 62.71 H new ATOM 0 HG22 VAL A 120 -12.236 -20.674 13.784 1.00 62.71 H new ATOM 0 HG23 VAL A 120 -11.287 -19.567 13.165 1.00 62.71 H new ATOM 98 N CYS A 121 -9.106 -20.635 10.717 1.00 58.58 N ATOM 99 CA CYS A 121 -7.816 -19.959 10.735 1.00 54.57 C ATOM 100 C CYS A 121 -7.976 -18.521 11.218 1.00 50.77 C ATOM 101 O CYS A 121 -8.729 -17.737 10.627 1.00 62.55 O ATOM 102 CB CYS A 121 -7.214 -19.999 9.337 1.00 50.45 C ATOM 103 SG CYS A 121 -5.806 -18.882 9.099 1.00 47.18 S ATOM 0 H CYS A 121 -9.461 -20.713 9.937 1.00 58.58 H new ATOM 0 HA CYS A 121 -7.219 -20.413 11.351 1.00 54.57 H new ATOM 0 HB2 CYS A 121 -6.930 -20.906 9.144 1.00 50.45 H new ATOM 0 HB3 CYS A 121 -7.904 -19.775 8.693 1.00 50.45 H new ATOM 108 N GLY A 122 -7.239 -18.152 12.265 1.00 54.33 N ATOM 109 CA GLY A 122 -7.351 -16.798 12.780 1.00 64.11 C ATOM 110 C GLY A 122 -6.942 -15.730 11.777 1.00 69.72 C ATOM 111 O GLY A 122 -7.517 -14.631 11.764 1.00 67.19 O ATOM 0 H GLY A 122 -6.682 -18.659 12.680 1.00 54.33 H new ATOM 0 HA2 GLY A 122 -8.268 -16.639 13.055 1.00 64.11 H new ATOM 0 HA3 GLY A 122 -6.799 -16.715 13.573 1.00 64.11 H new ATOM 115 N SER A 123 -6.000 -16.060 10.889 1.00 52.70 N ATOM 116 CA SER A 123 -5.145 -15.070 10.246 1.00 53.66 C ATOM 117 C SER A 123 -5.884 -13.816 9.799 1.00 45.12 C ATOM 118 O SER A 123 -6.995 -13.872 9.262 1.00 53.50 O ATOM 119 CB SER A 123 -4.451 -15.700 9.050 1.00 50.26 C ATOM 120 OG SER A 123 -3.633 -16.778 9.442 1.00 72.21 O ATOM 0 H SER A 123 -5.842 -16.869 10.645 1.00 52.70 H new ATOM 0 HA SER A 123 -4.502 -14.787 10.915 1.00 53.66 H new ATOM 0 HB2 SER A 123 -5.115 -16.010 8.414 1.00 50.26 H new ATOM 0 HB3 SER A 123 -3.914 -15.032 8.596 1.00 50.26 H new ATOM 0 HG SER A 123 -4.093 -17.480 9.480 1.00 72.21 H new ATOM 126 N VAL A 124 -5.216 -12.681 10.004 1.00 50.21 N ATOM 127 CA VAL A 124 -5.718 -11.349 9.705 1.00 46.44 C ATOM 128 C VAL A 124 -4.728 -10.665 8.780 1.00 47.69 C ATOM 129 O VAL A 124 -3.521 -10.901 8.869 1.00 58.12 O ATOM 130 CB VAL A 124 -5.903 -10.545 10.998 1.00 46.96 C ATOM 131 CG1 VAL A 124 -6.418 -9.170 10.691 1.00 57.91 C ATOM 132 CG2 VAL A 124 -6.855 -11.279 11.915 1.00 47.38 C ATOM 0 H VAL A 124 -4.423 -12.671 10.336 1.00 50.21 H new ATOM 0 HA VAL A 124 -6.584 -11.407 9.271 1.00 46.44 H new ATOM 0 HB VAL A 124 -5.046 -10.451 11.442 1.00 46.96 H new ATOM 0 HG11 VAL A 124 -6.530 -8.674 11.517 1.00 57.91 H new ATOM 0 HG12 VAL A 124 -5.785 -8.707 10.120 1.00 57.91 H new ATOM 0 HG13 VAL A 124 -7.273 -9.238 10.237 1.00 57.91 H new ATOM 0 HG21 VAL A 124 -6.973 -10.771 12.733 1.00 47.38 H new ATOM 0 HG22 VAL A 124 -7.713 -11.384 11.474 1.00 47.38 H new ATOM 0 HG23 VAL A 124 -6.491 -12.153 12.127 1.00 47.38 H new ATOM 142 N TRP A 125 -5.233 -9.820 7.886 1.00 41.63 N ATOM 143 CA TRP A 125 -4.409 -9.160 6.879 1.00 47.19 C ATOM 144 C TRP A 125 -4.259 -7.671 7.187 1.00 41.47 C ATOM 145 O TRP A 125 -5.239 -6.978 7.470 1.00 45.30 O ATOM 146 CB TRP A 125 -5.003 -9.360 5.470 1.00 49.02 C ATOM 147 CG TRP A 125 -5.048 -10.798 5.066 1.00 41.19 C ATOM 148 CD1 TRP A 125 -4.010 -11.656 5.054 1.00 45.93 C ATOM 149 CD2 TRP A 125 -6.194 -11.546 4.635 1.00 40.60 C ATOM 150 NE1 TRP A 125 -4.425 -12.905 4.652 1.00 46.15 N ATOM 151 CE2 TRP A 125 -5.764 -12.861 4.391 1.00 45.46 C ATOM 152 CE3 TRP A 125 -7.542 -11.233 4.438 1.00 41.56 C ATOM 153 CZ2 TRP A 125 -6.627 -13.866 3.973 1.00 42.38 C ATOM 154 CZ3 TRP A 125 -8.395 -12.234 4.000 1.00 39.18 C ATOM 155 CH2 TRP A 125 -7.927 -13.533 3.771 1.00 32.15 C ATOM 0 H TRP A 125 -6.067 -9.613 7.847 1.00 41.63 H new ATOM 0 HA TRP A 125 -3.528 -9.566 6.902 1.00 47.19 H new ATOM 0 HB2 TRP A 125 -5.900 -8.992 5.445 1.00 49.02 H new ATOM 0 HB3 TRP A 125 -4.475 -8.863 4.826 1.00 49.02 H new ATOM 0 HD1 TRP A 125 -3.136 -11.436 5.285 1.00 45.93 H new ATOM 0 HE1 TRP A 125 -3.923 -13.599 4.577 1.00 46.15 H new ATOM 0 HE3 TRP A 125 -7.859 -10.373 4.597 1.00 41.56 H new ATOM 0 HZ2 TRP A 125 -6.325 -14.735 3.837 1.00 42.38 H new ATOM 0 HZ3 TRP A 125 -9.293 -12.039 3.856 1.00 39.18 H new ATOM 0 HH2 TRP A 125 -8.521 -14.184 3.473 1.00 32.15 H new ATOM 166 N GLY A 126 -3.025 -7.181 7.096 1.00 58.21 N ATOM 167 CA GLY A 126 -2.740 -5.766 7.199 1.00 54.12 C ATOM 168 C GLY A 126 -2.637 -5.119 5.830 1.00 53.93 C ATOM 169 O GLY A 126 -3.053 -5.676 4.815 1.00 58.59 O ATOM 0 H GLY A 126 -2.328 -7.670 6.972 1.00 58.21 H new ATOM 0 HA2 GLY A 126 -3.438 -5.331 7.712 1.00 54.12 H new ATOM 0 HA3 GLY A 126 -1.909 -5.636 7.683 1.00 54.12 H new ATOM 173 N GLN A 127 -2.035 -3.935 5.801 1.00 62.12 N ATOM 174 CA GLN A 127 -2.321 -3.035 4.693 1.00 70.01 C ATOM 175 C GLN A 127 -1.539 -3.364 3.427 1.00 71.75 C ATOM 176 O GLN A 127 -1.833 -2.778 2.368 1.00 83.40 O ATOM 177 CB GLN A 127 -2.068 -1.584 5.109 1.00 69.51 C ATOM 178 CG GLN A 127 -0.726 -1.036 4.681 1.00 70.14 C ATOM 179 CD GLN A 127 -0.559 0.432 5.013 1.00 79.71 C ATOM 180 OE1 GLN A 127 -0.557 1.281 4.123 1.00 84.03 O ATOM 181 NE2 GLN A 127 -0.443 0.741 6.307 1.00 75.46 N ATOM 0 H GLN A 127 -1.479 -3.642 6.388 1.00 62.12 H new ATOM 0 HA GLN A 127 -3.259 -3.157 4.476 1.00 70.01 H new ATOM 0 HB2 GLN A 127 -2.767 -1.025 4.735 1.00 69.51 H new ATOM 0 HB3 GLN A 127 -2.139 -1.519 6.074 1.00 69.51 H new ATOM 0 HG2 GLN A 127 -0.021 -1.543 5.113 1.00 70.14 H new ATOM 0 HG3 GLN A 127 -0.620 -1.161 3.725 1.00 70.14 H new ATOM 0 HE21 GLN A 127 -0.449 0.118 6.900 1.00 75.46 H new ATOM 0 HE22 GLN A 127 -0.363 1.563 6.547 1.00 75.46 H new ATOM 190 N ASN A 128 -0.561 -4.270 3.489 1.00 50.24 N ATOM 191 CA ASN A 128 0.143 -4.683 2.268 1.00 59.99 C ATOM 192 C ASN A 128 0.443 -6.172 2.390 1.00 64.23 C ATOM 193 O ASN A 128 1.568 -6.612 2.588 1.00 68.72 O ATOM 194 CB ASN A 128 1.406 -3.845 2.031 1.00 71.07 C ATOM 195 CG ASN A 128 1.115 -2.467 1.398 1.00 95.68 C ATOM 196 OD1 ASN A 128 1.107 -1.431 2.080 1.00 89.26 O ATOM 197 ND2 ASN A 128 0.855 -2.466 0.084 1.00 88.56 N ATOM 0 H ASN A 128 -0.293 -4.652 4.211 1.00 50.24 H new ATOM 0 HA ASN A 128 -0.414 -4.529 1.489 1.00 59.99 H new ATOM 0 HB2 ASN A 128 1.864 -3.715 2.876 1.00 71.07 H new ATOM 0 HB3 ASN A 128 2.010 -4.338 1.454 1.00 71.07 H new ATOM 0 HD21 ASN A 128 0.674 -1.728 -0.318 1.00 88.56 H new ATOM 0 HD22 ASN A 128 0.869 -3.204 -0.358 1.00 88.56 H new ATOM 204 N ASP A 129 -0.608 -6.965 2.246 1.00 58.91 N ATOM 205 CA ASP A 129 -0.563 -8.397 2.472 1.00 47.30 C ATOM 206 C ASP A 129 -1.065 -9.139 1.234 1.00 44.40 C ATOM 207 O ASP A 129 -1.572 -8.547 0.281 1.00 43.34 O ATOM 208 CB ASP A 129 -1.414 -8.746 3.693 1.00 47.17 C ATOM 209 CG ASP A 129 -0.705 -9.662 4.654 1.00 65.11 C ATOM 210 OD1 ASP A 129 -0.193 -10.736 4.229 1.00 66.52 O ATOM 211 OD2 ASP A 129 -0.673 -9.282 5.851 1.00 61.90 O1- ATOM 0 H ASP A 129 -1.383 -6.678 2.009 1.00 58.91 H new ATOM 0 HA ASP A 129 0.353 -8.670 2.639 1.00 47.30 H new ATOM 0 HB2 ASP A 129 -1.662 -7.929 4.154 1.00 47.17 H new ATOM 0 HB3 ASP A 129 -2.237 -9.167 3.399 1.00 47.17 H new ATOM 216 N ILE A 130 -0.897 -10.453 1.233 1.00 41.73 N ATOM 217 CA ILE A 130 -1.362 -11.276 0.129 1.00 35.95 C ATOM 218 C ILE A 130 -2.381 -12.283 0.646 1.00 37.29 C ATOM 219 O ILE A 130 -2.129 -12.990 1.631 1.00 38.20 O ATOM 220 CB ILE A 130 -0.203 -12.027 -0.546 1.00 49.84 C ATOM 221 CG1 ILE A 130 0.700 -11.098 -1.343 1.00 48.04 C ATOM 222 CG2 ILE A 130 -0.740 -13.100 -1.526 1.00 48.61 C ATOM 223 CD1 ILE A 130 1.591 -11.825 -2.353 1.00 48.05 C ATOM 0 H ILE A 130 -0.513 -10.890 1.867 1.00 41.73 H new ATOM 0 HA ILE A 130 -1.767 -10.692 -0.531 1.00 35.95 H new ATOM 0 HB ILE A 130 0.305 -12.435 0.173 1.00 49.84 H new ATOM 0 HG12 ILE A 130 0.151 -10.452 -1.814 1.00 48.04 H new ATOM 0 HG13 ILE A 130 1.261 -10.599 -0.729 1.00 48.04 H new ATOM 0 HG21 ILE A 130 0.005 -13.562 -1.941 1.00 48.61 H new ATOM 0 HG22 ILE A 130 -1.285 -13.738 -1.040 1.00 48.61 H new ATOM 0 HG23 ILE A 130 -1.277 -12.673 -2.212 1.00 48.61 H new ATOM 0 HD11 ILE A 130 2.139 -11.179 -2.825 1.00 48.05 H new ATOM 0 HD12 ILE A 130 2.163 -12.454 -1.886 1.00 48.05 H new ATOM 0 HD13 ILE A 130 1.036 -12.304 -2.988 1.00 48.05 H new ATOM 235 N ALA A 131 -3.477 -12.436 -0.083 1.00 40.30 N ATOM 236 CA ALA A 131 -4.371 -13.566 0.123 1.00 40.17 C ATOM 237 C ALA A 131 -4.671 -14.205 -1.226 1.00 36.64 C ATOM 238 O ALA A 131 -4.173 -13.775 -2.267 1.00 41.87 O ATOM 239 CB ALA A 131 -5.659 -13.134 0.837 1.00 43.94 C ATOM 0 H ALA A 131 -3.722 -11.895 -0.705 1.00 40.30 H new ATOM 0 HA ALA A 131 -3.940 -14.218 0.697 1.00 40.17 H new ATOM 0 HB1 ALA A 131 -6.235 -13.905 0.961 1.00 43.94 H new ATOM 0 HB2 ALA A 131 -5.438 -12.754 1.702 1.00 43.94 H new ATOM 0 HB3 ALA A 131 -6.120 -12.470 0.300 1.00 43.94 H new ATOM 245 N TYR A 132 -5.490 -15.251 -1.207 1.00 37.36 N ATOM 246 CA TYR A 132 -5.930 -15.924 -2.416 1.00 39.30 C ATOM 247 C TYR A 132 -7.441 -15.871 -2.481 1.00 40.12 C ATOM 248 O TYR A 132 -8.126 -16.166 -1.491 1.00 36.53 O ATOM 249 CB TYR A 132 -5.480 -17.393 -2.472 1.00 40.52 C ATOM 250 CG TYR A 132 -4.059 -17.569 -2.910 1.00 42.00 C ATOM 251 CD1 TYR A 132 -3.749 -17.776 -4.251 1.00 44.16 C ATOM 252 CD2 TYR A 132 -3.025 -17.529 -1.990 1.00 34.23 C ATOM 253 CE1 TYR A 132 -2.445 -17.946 -4.664 1.00 41.08 C ATOM 254 CE2 TYR A 132 -1.709 -17.692 -2.395 1.00 41.67 C ATOM 255 CZ TYR A 132 -1.425 -17.902 -3.726 1.00 44.06 C ATOM 256 OH TYR A 132 -0.134 -18.065 -4.133 1.00 50.61 O ATOM 0 H TYR A 132 -5.807 -15.591 -0.484 1.00 37.36 H new ATOM 0 HA TYR A 132 -5.527 -15.466 -3.170 1.00 39.30 H new ATOM 0 HB2 TYR A 132 -5.592 -17.791 -1.595 1.00 40.52 H new ATOM 0 HB3 TYR A 132 -6.060 -17.878 -3.079 1.00 40.52 H new ATOM 0 HD1 TYR A 132 -4.434 -17.800 -4.880 1.00 44.16 H new ATOM 0 HD2 TYR A 132 -3.215 -17.391 -1.090 1.00 34.23 H new ATOM 0 HE1 TYR A 132 -2.251 -18.089 -5.562 1.00 41.08 H new ATOM 0 HE2 TYR A 132 -1.021 -17.660 -1.770 1.00 41.67 H new ATOM 0 HH TYR A 132 0.378 -18.016 -3.469 1.00 50.61 H new ATOM 266 N ARG A 133 -7.954 -15.492 -3.642 1.00 39.78 N ATOM 267 CA ARG A 133 -9.355 -15.728 -3.944 1.00 40.44 C ATOM 268 C ARG A 133 -9.477 -17.052 -4.704 1.00 40.44 C ATOM 269 O ARG A 133 -8.599 -17.412 -5.483 1.00 36.11 O ATOM 270 CB ARG A 133 -9.936 -14.566 -4.748 1.00 32.92 C ATOM 271 CG ARG A 133 -11.199 -14.922 -5.463 1.00 44.88 C ATOM 272 CD ARG A 133 -11.937 -13.711 -5.967 1.00 47.55 C ATOM 273 NE ARG A 133 -13.315 -14.059 -6.243 1.00 44.56 N ATOM 274 CZ ARG A 133 -14.139 -13.322 -6.971 1.00 52.61 C ATOM 275 NH1 ARG A 133 -13.713 -12.182 -7.500 1.00 51.36 N ATOM 276 NH2 ARG A 133 -15.392 -13.729 -7.173 1.00 48.13 N ATOM 0 H ARG A 133 -7.510 -15.099 -4.265 1.00 39.78 H new ATOM 0 HA ARG A 133 -9.865 -15.787 -3.121 1.00 40.44 H new ATOM 0 HB2 ARG A 133 -10.107 -13.821 -4.151 1.00 32.92 H new ATOM 0 HB3 ARG A 133 -9.278 -14.266 -5.395 1.00 32.92 H new ATOM 0 HG2 ARG A 133 -10.991 -15.504 -6.210 1.00 44.88 H new ATOM 0 HG3 ARG A 133 -11.776 -15.423 -4.865 1.00 44.88 H new ATOM 0 HD2 ARG A 133 -11.900 -13.001 -5.307 1.00 47.55 H new ATOM 0 HD3 ARG A 133 -11.512 -13.374 -6.771 1.00 47.55 H new ATOM 0 HE ARG A 133 -13.618 -14.793 -5.912 1.00 44.56 H new ATOM 0 HH11 ARG A 133 -12.903 -11.924 -7.370 1.00 51.36 H new ATOM 0 HH12 ARG A 133 -14.247 -11.702 -7.973 1.00 51.36 H new ATOM 0 HH21 ARG A 133 -15.664 -14.469 -6.831 1.00 48.13 H new ATOM 0 HH22 ARG A 133 -15.928 -13.251 -7.646 1.00 48.13 H new ATOM 290 N CYS A 134 -10.554 -17.796 -4.444 1.00 49.62 N ATOM 291 CA CYS A 134 -10.843 -19.001 -5.220 1.00 45.54 C ATOM 292 C CYS A 134 -12.326 -19.028 -5.551 1.00 35.63 C ATOM 293 O CYS A 134 -13.128 -19.439 -4.704 1.00 36.97 O ATOM 294 CB CYS A 134 -10.461 -20.296 -4.509 1.00 46.34 C ATOM 295 SG CYS A 134 -10.720 -21.673 -5.694 1.00 38.86 S ATOM 0 H CYS A 134 -11.126 -17.621 -3.826 1.00 49.62 H new ATOM 0 HA CYS A 134 -10.299 -18.957 -6.022 1.00 45.54 H new ATOM 0 HB2 CYS A 134 -9.536 -20.266 -4.218 1.00 46.34 H new ATOM 0 HB3 CYS A 134 -11.004 -20.422 -3.715 1.00 46.34 H new ATOM 300 N ARG A 135 -12.670 -18.638 -6.789 1.00 43.99 N ATOM 301 CA ARG A 135 -14.067 -18.624 -7.203 1.00 42.87 C ATOM 302 C ARG A 135 -14.702 -20.013 -7.093 1.00 38.70 C ATOM 303 O ARG A 135 -15.927 -20.119 -6.985 1.00 41.45 O ATOM 304 CB ARG A 135 -14.201 -18.030 -8.622 1.00 41.82 C ATOM 305 CG ARG A 135 -13.752 -16.524 -8.806 1.00 56.17 C ATOM 306 CD ARG A 135 -14.039 -15.895 -10.251 1.00 67.07 C ATOM 307 NE ARG A 135 -13.549 -14.503 -10.478 1.00 96.76 N ATOM 308 CZ ARG A 135 -14.326 -13.415 -10.676 1.00 85.07 C ATOM 309 NH1 ARG A 135 -15.653 -13.522 -10.670 1.00 68.41 N ATOM 310 NH2 ARG A 135 -13.787 -12.200 -10.877 1.00 70.39 N ATOM 0 H ARG A 135 -12.112 -18.382 -7.391 1.00 43.99 H new ATOM 0 HA ARG A 135 -14.560 -18.050 -6.596 1.00 42.87 H new ATOM 0 HB2 ARG A 135 -13.681 -18.578 -9.230 1.00 41.82 H new ATOM 0 HB3 ARG A 135 -15.129 -18.105 -8.896 1.00 41.82 H new ATOM 0 HG2 ARG A 135 -14.204 -15.984 -8.139 1.00 56.17 H new ATOM 0 HG3 ARG A 135 -12.801 -16.461 -8.625 1.00 56.17 H new ATOM 0 HD2 ARG A 135 -13.637 -16.472 -10.919 1.00 67.07 H new ATOM 0 HD3 ARG A 135 -14.997 -15.909 -10.404 1.00 67.07 H new ATOM 0 HE ARG A 135 -12.697 -14.383 -10.483 1.00 96.76 H new ATOM 0 HH11 ARG A 135 -16.022 -14.288 -10.539 1.00 68.41 H new ATOM 0 HH12 ARG A 135 -16.141 -12.825 -10.797 1.00 68.41 H new ATOM 0 HH21 ARG A 135 -12.932 -12.104 -10.881 1.00 70.39 H new ATOM 0 HH22 ARG A 135 -14.297 -11.519 -11.001 1.00 70.39 H new ATOM 324 N THR A 136 -13.903 -21.076 -7.009 1.00 46.85 N ATOM 325 CA THR A 136 -14.469 -22.418 -6.949 1.00 35.24 C ATOM 326 C THR A 136 -14.878 -22.820 -5.534 1.00 46.24 C ATOM 327 O THR A 136 -15.920 -23.456 -5.356 1.00 43.74 O ATOM 328 CB THR A 136 -13.468 -23.431 -7.495 1.00 41.85 C ATOM 329 OG1 THR A 136 -12.984 -22.959 -8.748 1.00 49.21 O ATOM 330 CG2 THR A 136 -14.105 -24.785 -7.680 1.00 39.76 C ATOM 0 H THR A 136 -13.044 -21.042 -6.986 1.00 46.85 H new ATOM 0 HA THR A 136 -15.271 -22.411 -7.494 1.00 35.24 H new ATOM 0 HB THR A 136 -12.741 -23.527 -6.860 1.00 41.85 H new ATOM 0 HG1 THR A 136 -12.914 -23.603 -9.282 1.00 49.21 H new ATOM 0 HG21 THR A 136 -13.447 -25.408 -8.027 1.00 39.76 H new ATOM 0 HG22 THR A 136 -14.435 -25.107 -6.827 1.00 39.76 H new ATOM 0 HG23 THR A 136 -14.843 -24.713 -8.305 1.00 39.76 H new ATOM 338 N CYS A 137 -14.051 -22.536 -4.525 1.00 49.53 N ATOM 339 CA CYS A 137 -14.378 -22.902 -3.152 1.00 47.22 C ATOM 340 C CYS A 137 -15.177 -21.847 -2.416 1.00 42.11 C ATOM 341 O CYS A 137 -15.590 -22.098 -1.278 1.00 43.46 O ATOM 342 CB CYS A 137 -13.111 -23.165 -2.338 1.00 45.31 C ATOM 343 SG CYS A 137 -12.049 -24.349 -3.100 1.00 43.77 S ATOM 0 H CYS A 137 -13.297 -22.132 -4.618 1.00 49.53 H new ATOM 0 HA CYS A 137 -14.920 -23.702 -3.231 1.00 47.22 H new ATOM 0 HB2 CYS A 137 -12.628 -22.332 -2.219 1.00 45.31 H new ATOM 0 HB3 CYS A 137 -13.358 -23.479 -1.454 1.00 45.31 H new ATOM 348 N GLU A 138 -15.368 -20.673 -3.002 1.00 45.38 N ATOM 349 CA GLU A 138 -15.889 -19.552 -2.241 1.00 51.95 C ATOM 350 C GLU A 138 -17.405 -19.575 -2.187 1.00 39.29 C ATOM 351 O GLU A 138 -18.073 -19.996 -3.129 1.00 50.81 O ATOM 352 CB GLU A 138 -15.426 -18.225 -2.834 1.00 37.29 C ATOM 353 CG GLU A 138 -16.074 -17.881 -4.136 1.00 40.22 C ATOM 354 CD GLU A 138 -15.567 -16.552 -4.709 1.00 46.89 C ATOM 355 OE1 GLU A 138 -14.420 -16.096 -4.365 1.00 57.80 O ATOM 356 OE2 GLU A 138 -16.320 -15.980 -5.511 1.00 41.13 O1- ATOM 0 H GLU A 138 -15.204 -20.507 -3.830 1.00 45.38 H new ATOM 0 HA GLU A 138 -15.543 -19.637 -1.339 1.00 51.95 H new ATOM 0 HB2 GLU A 138 -15.606 -17.516 -2.197 1.00 37.29 H new ATOM 0 HB3 GLU A 138 -14.465 -18.256 -2.960 1.00 37.29 H new ATOM 0 HG2 GLU A 138 -15.906 -18.591 -4.775 1.00 40.22 H new ATOM 0 HG3 GLU A 138 -17.035 -17.832 -4.013 1.00 40.22 H new ATOM 363 N ASN A 139 -17.940 -19.103 -1.065 1.00 41.42 N ATOM 364 CA ASN A 139 -19.383 -18.930 -0.938 1.00 42.51 C ATOM 365 C ASN A 139 -19.859 -17.631 -1.563 1.00 41.87 C ATOM 366 O ASN A 139 -20.980 -17.581 -2.059 1.00 45.45 O ATOM 367 CB ASN A 139 -19.794 -18.947 0.532 1.00 36.21 C ATOM 368 CG ASN A 139 -19.899 -20.353 1.101 1.00 48.06 C ATOM 369 OD1 ASN A 139 -19.737 -21.380 0.399 1.00 41.73 O ATOM 370 ND2 ASN A 139 -20.180 -20.407 2.407 1.00 54.40 N ATOM 0 H ASN A 139 -17.488 -18.878 -0.369 1.00 41.42 H new ATOM 0 HA ASN A 139 -19.797 -19.669 -1.411 1.00 42.51 H new ATOM 0 HB2 ASN A 139 -19.148 -18.441 1.049 1.00 36.21 H new ATOM 0 HB3 ASN A 139 -20.649 -18.499 0.629 1.00 36.21 H new ATOM 0 HD21 ASN A 139 -20.257 -21.169 2.799 1.00 54.40 H new ATOM 0 HD22 ASN A 139 -20.284 -19.680 2.855 1.00 54.40 H new ATOM 377 N ASP A 140 -19.043 -16.581 -1.528 1.00 36.44 N ATOM 378 CA ASP A 140 -19.391 -15.313 -2.146 1.00 38.84 C ATOM 379 C ASP A 140 -18.103 -14.606 -2.530 1.00 38.98 C ATOM 380 O ASP A 140 -17.011 -15.049 -2.154 1.00 43.65 O ATOM 381 CB ASP A 140 -20.248 -14.450 -1.213 1.00 43.94 C ATOM 382 CG ASP A 140 -19.640 -14.297 0.185 1.00 51.55 C ATOM 383 OD1 ASP A 140 -19.995 -15.093 1.077 1.00 53.07 O ATOM 384 OD2 ASP A 140 -18.801 -13.382 0.394 1.00 47.85 O1- ATOM 0 H ASP A 140 -18.273 -16.587 -1.145 1.00 36.44 H new ATOM 0 HA ASP A 140 -19.927 -15.471 -2.939 1.00 38.84 H new ATOM 0 HB2 ASP A 140 -20.364 -13.572 -1.608 1.00 43.94 H new ATOM 0 HB3 ASP A 140 -21.131 -14.845 -1.135 1.00 43.94 H new ATOM 389 N PRO A 141 -18.195 -13.509 -3.309 1.00 41.70 N ATOM 390 CA PRO A 141 -16.984 -12.951 -3.957 1.00 42.43 C ATOM 391 C PRO A 141 -15.955 -12.335 -3.010 1.00 40.45 C ATOM 392 O PRO A 141 -14.798 -12.174 -3.421 1.00 52.74 O ATOM 393 CB PRO A 141 -17.546 -11.897 -4.920 1.00 45.55 C ATOM 394 CG PRO A 141 -18.969 -12.333 -5.174 1.00 41.11 C ATOM 395 CD PRO A 141 -19.429 -12.918 -3.865 1.00 34.71 C ATOM 0 HA PRO A 141 -16.478 -13.660 -4.383 1.00 42.43 H new ATOM 0 HB2 PRO A 141 -17.513 -11.010 -4.530 1.00 45.55 H new ATOM 0 HB3 PRO A 141 -17.035 -11.864 -5.744 1.00 45.55 H new ATOM 0 HG2 PRO A 141 -19.525 -11.584 -5.440 1.00 41.11 H new ATOM 0 HG3 PRO A 141 -19.015 -12.988 -5.888 1.00 41.11 H new ATOM 0 HD2 PRO A 141 -19.797 -12.239 -3.278 1.00 34.71 H new ATOM 0 HD3 PRO A 141 -20.120 -13.586 -3.994 1.00 34.71 H new ATOM 403 N THR A 142 -16.280 -12.082 -1.755 1.00 37.19 N ATOM 404 CA THR A 142 -15.325 -11.498 -0.830 1.00 35.92 C ATOM 405 C THR A 142 -14.620 -12.517 0.061 1.00 48.69 C ATOM 406 O THR A 142 -13.825 -12.119 0.928 1.00 43.64 O ATOM 407 CB THR A 142 -16.044 -10.456 0.021 1.00 49.82 C ATOM 408 OG1 THR A 142 -17.039 -11.104 0.813 1.00 37.20 O ATOM 409 CG2 THR A 142 -16.706 -9.420 -0.891 1.00 39.36 C ATOM 0 H THR A 142 -17.054 -12.242 -1.416 1.00 37.19 H new ATOM 0 HA THR A 142 -14.623 -11.091 -1.361 1.00 35.92 H new ATOM 0 HB THR A 142 -15.407 -10.010 0.601 1.00 49.82 H new ATOM 0 HG1 THR A 142 -17.437 -10.534 1.285 1.00 37.20 H new ATOM 0 HG21 THR A 142 -17.163 -8.757 -0.350 1.00 39.36 H new ATOM 0 HG22 THR A 142 -16.028 -8.984 -1.431 1.00 39.36 H new ATOM 0 HG23 THR A 142 -17.346 -9.861 -1.471 1.00 39.36 H new ATOM 417 N CYS A 143 -14.866 -13.815 -0.131 1.00 43.39 N ATOM 418 CA CYS A 143 -14.126 -14.830 0.609 1.00 40.97 C ATOM 419 C CYS A 143 -12.700 -14.961 0.069 1.00 35.12 C ATOM 420 O CYS A 143 -12.425 -14.746 -1.114 1.00 41.98 O ATOM 421 CB CYS A 143 -14.871 -16.174 0.559 1.00 41.74 C ATOM 422 SG CYS A 143 -16.585 -16.074 1.166 1.00 41.79 S ATOM 0 H CYS A 143 -15.452 -14.123 -0.680 1.00 43.39 H new ATOM 0 HA CYS A 143 -14.063 -14.556 1.537 1.00 40.97 H new ATOM 0 HB2 CYS A 143 -14.877 -16.499 -0.355 1.00 41.74 H new ATOM 0 HB3 CYS A 143 -14.385 -16.825 1.088 1.00 41.74 H new ATOM 0 HG CYS A 143 -16.956 -17.165 1.500 1.00 41.79 H new ATOM 428 N ALA A 144 -11.795 -15.340 0.957 1.00 41.16 N ATOM 429 CA ALA A 144 -10.382 -15.421 0.621 1.00 40.86 C ATOM 430 C ALA A 144 -9.711 -16.225 1.714 1.00 35.50 C ATOM 431 O ALA A 144 -10.226 -16.318 2.831 1.00 39.38 O ATOM 432 CB ALA A 144 -9.748 -14.034 0.509 1.00 42.86 C ATOM 0 H ALA A 144 -11.980 -15.557 1.768 1.00 41.16 H new ATOM 0 HA ALA A 144 -10.270 -15.845 -0.244 1.00 40.86 H new ATOM 0 HB1 ALA A 144 -8.809 -14.125 0.285 1.00 42.86 H new ATOM 0 HB2 ALA A 144 -10.198 -13.527 -0.185 1.00 42.86 H new ATOM 0 HB3 ALA A 144 -9.834 -13.569 1.356 1.00 42.86 H new ATOM 438 N ILE A 145 -8.553 -16.796 1.396 1.00 38.44 N ATOM 439 CA ILE A 145 -7.788 -17.530 2.392 1.00 38.55 C ATOM 440 C ILE A 145 -6.342 -17.093 2.327 1.00 41.73 C ATOM 441 O ILE A 145 -5.871 -16.562 1.317 1.00 36.66 O ATOM 442 CB ILE A 145 -7.890 -19.048 2.211 1.00 39.08 C ATOM 443 CG1 ILE A 145 -7.446 -19.442 0.806 1.00 37.63 C ATOM 444 CG2 ILE A 145 -9.307 -19.493 2.503 1.00 41.63 C ATOM 445 CD1 ILE A 145 -7.471 -20.943 0.617 1.00 35.66 C ATOM 0 H ILE A 145 -8.196 -16.769 0.614 1.00 38.44 H new ATOM 0 HA ILE A 145 -8.163 -17.327 3.263 1.00 38.55 H new ATOM 0 HB ILE A 145 -7.298 -19.497 2.835 1.00 39.08 H new ATOM 0 HG12 ILE A 145 -8.027 -19.023 0.152 1.00 37.63 H new ATOM 0 HG13 ILE A 145 -6.550 -19.109 0.643 1.00 37.63 H new ATOM 0 HG21 ILE A 145 -9.375 -20.454 2.389 1.00 41.63 H new ATOM 0 HG22 ILE A 145 -9.538 -19.259 3.415 1.00 41.63 H new ATOM 0 HG23 ILE A 145 -9.917 -19.052 1.892 1.00 41.63 H new ATOM 0 HD11 ILE A 145 -7.184 -21.161 -0.284 1.00 35.66 H new ATOM 0 HD12 ILE A 145 -6.872 -21.360 1.256 1.00 35.66 H new ATOM 0 HD13 ILE A 145 -8.373 -21.272 0.757 1.00 35.66 H new ATOM 457 N CYS A 146 -5.645 -17.305 3.436 1.00 32.55 N ATOM 458 CA CYS A 146 -4.286 -16.821 3.525 1.00 36.18 C ATOM 459 C CYS A 146 -3.361 -17.787 2.757 1.00 36.49 C ATOM 460 O CYS A 146 -3.741 -18.903 2.339 1.00 41.98 O ATOM 461 CB CYS A 146 -3.935 -16.644 5.011 1.00 38.43 C ATOM 462 SG CYS A 146 -3.613 -18.249 5.731 1.00 46.85 S ATOM 0 H CYS A 146 -5.937 -17.718 4.132 1.00 32.55 H new ATOM 0 HA CYS A 146 -4.171 -15.953 3.107 1.00 36.18 H new ATOM 0 HB2 CYS A 146 -3.157 -16.073 5.105 1.00 38.43 H new ATOM 0 HB3 CYS A 146 -4.665 -16.208 5.478 1.00 38.43 H new ATOM 467 N VAL A 147 -2.155 -17.302 2.506 1.00 35.38 N ATOM 468 CA VAL A 147 -1.239 -18.010 1.613 1.00 38.84 C ATOM 469 C VAL A 147 -0.992 -19.425 2.093 1.00 34.15 C ATOM 470 O VAL A 147 -1.128 -20.370 1.282 1.00 42.13 O ATOM 471 CB VAL A 147 0.065 -17.201 1.469 1.00 38.73 C ATOM 472 CG1 VAL A 147 1.168 -18.006 0.747 1.00 42.51 C ATOM 473 CG2 VAL A 147 -0.249 -15.907 0.759 1.00 34.54 C ATOM 0 H VAL A 147 -1.845 -16.571 2.837 1.00 35.38 H new ATOM 0 HA VAL A 147 -1.642 -18.089 0.734 1.00 38.84 H new ATOM 0 HB VAL A 147 0.420 -17.004 2.350 1.00 38.73 H new ATOM 0 HG11 VAL A 147 1.970 -17.465 0.676 1.00 42.51 H new ATOM 0 HG12 VAL A 147 1.365 -18.810 1.252 1.00 42.51 H new ATOM 0 HG13 VAL A 147 0.863 -18.249 -0.141 1.00 42.51 H new ATOM 0 HG21 VAL A 147 0.563 -15.386 0.661 1.00 34.54 H new ATOM 0 HG22 VAL A 147 -0.617 -16.100 -0.118 1.00 34.54 H new ATOM 0 HG23 VAL A 147 -0.896 -15.402 1.277 1.00 34.54 H new ATOM 483 N PRO A 148 -0.592 -19.669 3.344 1.00 36.79 N ATOM 484 CA PRO A 148 -0.408 -21.052 3.819 1.00 31.72 C ATOM 485 C PRO A 148 -1.627 -21.957 3.652 1.00 46.31 C ATOM 486 O PRO A 148 -1.491 -23.130 3.257 1.00 44.84 O ATOM 487 CB PRO A 148 -0.062 -20.877 5.298 1.00 36.43 C ATOM 488 CG PRO A 148 0.261 -19.464 5.495 1.00 33.72 C ATOM 489 CD PRO A 148 -0.306 -18.659 4.382 1.00 42.94 C ATOM 0 HA PRO A 148 0.273 -21.502 3.295 1.00 31.72 H new ATOM 0 HB2 PRO A 148 -0.808 -21.140 5.859 1.00 36.43 H new ATOM 0 HB3 PRO A 148 0.690 -21.439 5.544 1.00 36.43 H new ATOM 0 HG2 PRO A 148 -0.097 -19.157 6.343 1.00 33.72 H new ATOM 0 HG3 PRO A 148 1.223 -19.346 5.534 1.00 33.72 H new ATOM 0 HD2 PRO A 148 -1.109 -18.188 4.654 1.00 42.94 H new ATOM 0 HD3 PRO A 148 0.322 -17.990 4.067 1.00 42.94 H new ATOM 497 N CYS A 149 -2.819 -21.453 3.977 1.00 45.53 N ATOM 498 CA CYS A 149 -4.022 -22.264 3.826 1.00 39.82 C ATOM 499 C CYS A 149 -4.222 -22.672 2.369 1.00 40.61 C ATOM 500 O CYS A 149 -4.690 -23.776 2.079 1.00 39.87 O ATOM 501 CB CYS A 149 -5.221 -21.485 4.369 1.00 36.84 C ATOM 502 SG CYS A 149 -5.183 -21.450 6.247 1.00 34.54 S ATOM 0 H CYS A 149 -2.949 -20.659 4.281 1.00 45.53 H new ATOM 0 HA CYS A 149 -3.929 -23.084 4.336 1.00 39.82 H new ATOM 0 HB2 CYS A 149 -5.209 -20.579 4.022 1.00 36.84 H new ATOM 0 HB3 CYS A 149 -6.046 -21.895 4.064 1.00 36.84 H new ATOM 507 N PHE A 150 -3.935 -21.769 1.432 1.00 38.24 N ATOM 508 CA PHE A 150 -4.133 -22.077 0.021 1.00 39.64 C ATOM 509 C PHE A 150 -3.133 -23.135 -0.416 1.00 47.43 C ATOM 510 O PHE A 150 -3.500 -24.134 -1.048 1.00 41.23 O ATOM 511 CB PHE A 150 -3.993 -20.787 -0.802 1.00 50.43 C ATOM 512 CG PHE A 150 -4.069 -21.006 -2.296 1.00 49.19 C ATOM 513 CD1 PHE A 150 -5.298 -21.059 -2.944 1.00 49.59 C ATOM 514 CD2 PHE A 150 -2.913 -21.190 -3.058 1.00 47.65 C ATOM 515 CE1 PHE A 150 -5.382 -21.284 -4.333 1.00 48.85 C ATOM 516 CE2 PHE A 150 -2.988 -21.429 -4.448 1.00 38.71 C ATOM 517 CZ PHE A 150 -4.222 -21.472 -5.081 1.00 42.30 C ATOM 0 H PHE A 150 -3.628 -20.982 1.592 1.00 38.24 H new ATOM 0 HA PHE A 150 -5.023 -22.434 -0.125 1.00 39.64 H new ATOM 0 HB2 PHE A 150 -4.691 -20.168 -0.538 1.00 50.43 H new ATOM 0 HB3 PHE A 150 -3.145 -20.367 -0.588 1.00 50.43 H new ATOM 0 HD1 PHE A 150 -6.079 -20.944 -2.452 1.00 49.59 H new ATOM 0 HD2 PHE A 150 -2.081 -21.155 -2.644 1.00 47.65 H new ATOM 0 HE1 PHE A 150 -6.213 -21.307 -4.750 1.00 48.85 H new ATOM 0 HE2 PHE A 150 -2.209 -21.558 -4.940 1.00 38.71 H new ATOM 0 HZ PHE A 150 -4.274 -21.625 -5.997 1.00 42.30 H new ATOM 527 N GLN A 151 -1.864 -22.946 -0.043 1.00 34.92 N ATOM 528 CA GLN A 151 -0.818 -23.846 -0.495 1.00 47.58 C ATOM 529 C GLN A 151 -0.888 -25.189 0.219 1.00 52.38 C ATOM 530 O GLN A 151 -0.441 -26.199 -0.334 1.00 49.80 O ATOM 531 CB GLN A 151 0.561 -23.219 -0.273 1.00 47.86 C ATOM 532 CG GLN A 151 0.898 -21.985 -1.108 1.00 43.94 C ATOM 533 CD GLN A 151 0.797 -22.215 -2.602 1.00 51.46 C ATOM 534 OE1 GLN A 151 0.939 -23.339 -3.078 1.00 57.21 O ATOM 535 NE2 GLN A 151 0.565 -21.136 -3.357 1.00 60.92 N ATOM 0 H GLN A 151 -1.596 -22.307 0.467 1.00 34.92 H new ATOM 0 HA GLN A 151 -0.956 -23.997 -1.443 1.00 47.58 H new ATOM 0 HB2 GLN A 151 0.637 -22.980 0.664 1.00 47.86 H new ATOM 0 HB3 GLN A 151 1.233 -23.896 -0.449 1.00 47.86 H new ATOM 0 HG2 GLN A 151 0.301 -21.263 -0.859 1.00 43.94 H new ATOM 0 HG3 GLN A 151 1.798 -21.695 -0.894 1.00 43.94 H new ATOM 0 HE21 GLN A 151 0.471 -20.365 -2.988 1.00 60.92 H new ATOM 0 HE22 GLN A 151 0.510 -21.213 -4.212 1.00 60.92 H new ATOM 544 N ASN A 152 -1.430 -25.231 1.440 1.00 51.70 N ATOM 545 CA ASN A 152 -1.641 -26.506 2.117 1.00 44.42 C ATOM 546 C ASN A 152 -2.980 -27.120 1.800 1.00 45.51 C ATOM 547 O ASN A 152 -3.433 -27.986 2.549 1.00 50.92 O ATOM 548 CB ASN A 152 -1.508 -26.358 3.626 1.00 43.31 C ATOM 549 CG ASN A 152 -0.078 -26.260 4.051 1.00 45.53 C ATOM 550 OD1 ASN A 152 0.822 -26.778 3.376 1.00 64.65 O ATOM 551 ND2 ASN A 152 0.163 -25.555 5.133 1.00 45.62 N ATOM 0 H ASN A 152 -1.679 -24.539 1.886 1.00 51.70 H new ATOM 0 HA ASN A 152 -0.950 -27.099 1.783 1.00 44.42 H new ATOM 0 HB2 ASN A 152 -1.987 -25.566 3.917 1.00 43.31 H new ATOM 0 HB3 ASN A 152 -1.924 -27.117 4.063 1.00 43.31 H new ATOM 0 HD21 ASN A 152 0.973 -25.438 5.398 1.00 45.62 H new ATOM 0 HD22 ASN A 152 -0.489 -25.211 5.576 1.00 45.62 H new ATOM 558 N GLY A 153 -3.630 -26.678 0.725 1.00 48.29 N ATOM 559 CA GLY A 153 -4.864 -27.276 0.260 1.00 38.27 C ATOM 560 C GLY A 153 -4.753 -27.510 -1.233 1.00 35.76 C ATOM 561 O GLY A 153 -3.739 -27.204 -1.840 1.00 57.72 O ATOM 0 H GLY A 153 -3.360 -26.017 0.246 1.00 48.29 H new ATOM 0 HA2 GLY A 153 -5.027 -28.114 0.721 1.00 38.27 H new ATOM 0 HA3 GLY A 153 -5.615 -26.694 0.455 1.00 38.27 H new ATOM 565 N ASP A 154 -5.829 -28.010 -1.808 1.00 46.58 N ATOM 566 CA ASP A 154 -5.858 -28.461 -3.194 1.00 55.85 C ATOM 567 C ASP A 154 -6.761 -27.567 -4.042 1.00 56.69 C ATOM 568 O ASP A 154 -7.990 -27.659 -3.948 1.00 57.87 O ATOM 569 CB ASP A 154 -6.349 -29.908 -3.230 1.00 62.30 C ATOM 570 CG ASP A 154 -6.240 -30.533 -4.606 1.00 78.17 C ATOM 571 OD1 ASP A 154 -7.056 -31.424 -4.926 1.00 70.97 O ATOM 572 OD2 ASP A 154 -5.333 -30.148 -5.371 1.00 86.40 O1- ATOM 0 H ASP A 154 -6.581 -28.101 -1.400 1.00 46.58 H new ATOM 0 HA ASP A 154 -4.964 -28.409 -3.567 1.00 55.85 H new ATOM 0 HB2 ASP A 154 -5.835 -30.435 -2.599 1.00 62.30 H new ATOM 0 HB3 ASP A 154 -7.274 -29.938 -2.938 1.00 62.30 H new ATOM 577 N HIS A 155 -6.161 -26.744 -4.917 1.00 58.62 N ATOM 578 CA HIS A 155 -6.939 -25.830 -5.758 1.00 59.92 C ATOM 579 C HIS A 155 -6.486 -25.852 -7.222 1.00 63.00 C ATOM 580 O HIS A 155 -6.577 -24.829 -7.908 1.00 54.31 O ATOM 581 CB HIS A 155 -6.864 -24.396 -5.200 1.00 57.78 C ATOM 582 CG HIS A 155 -7.390 -24.262 -3.803 1.00 44.53 C ATOM 583 ND1 HIS A 155 -8.731 -24.111 -3.521 1.00 33.65 N ATOM 584 CD2 HIS A 155 -6.755 -24.292 -2.607 1.00 41.67 C ATOM 585 CE1 HIS A 155 -8.901 -24.065 -2.214 1.00 40.33 C ATOM 586 NE2 HIS A 155 -7.714 -24.163 -1.635 1.00 40.91 N ATOM 0 H HIS A 155 -5.310 -26.703 -5.035 1.00 58.62 H new ATOM 0 HA HIS A 155 -7.859 -26.138 -5.738 1.00 59.92 H new ATOM 0 HB2 HIS A 155 -5.941 -24.098 -5.219 1.00 57.78 H new ATOM 0 HB3 HIS A 155 -7.365 -23.804 -5.783 1.00 57.78 H new ATOM 0 HD2 HIS A 155 -5.840 -24.383 -2.470 1.00 41.67 H new ATOM 0 HE1 HIS A 155 -9.716 -23.978 -1.774 1.00 40.33 H new ATOM 0 HE2 HIS A 155 -7.568 -24.148 -0.788 1.00 40.91 H new ATOM 594 N ASN A 156 -6.058 -27.020 -7.731 1.00 71.37 N ATOM 595 CA ASN A 156 -5.212 -27.061 -8.923 1.00 69.68 C ATOM 596 C ASN A 156 -5.882 -26.410 -10.114 1.00 72.46 C ATOM 597 O ASN A 156 -5.300 -25.544 -10.782 1.00 79.63 O ATOM 598 CB ASN A 156 -4.855 -28.492 -9.315 1.00 75.79 C ATOM 599 CG ASN A 156 -4.037 -29.193 -8.290 1.00 84.63 C ATOM 600 OD1 ASN A 156 -4.266 -29.057 -7.090 1.00 86.07 O ATOM 601 ND2 ASN A 156 -3.065 -29.966 -8.755 1.00 86.38 N ATOM 0 H ASN A 156 -6.248 -27.790 -7.399 1.00 71.37 H new ATOM 0 HA ASN A 156 -4.408 -26.571 -8.690 1.00 69.68 H new ATOM 0 HB2 ASN A 156 -5.672 -28.993 -9.467 1.00 75.79 H new ATOM 0 HB3 ASN A 156 -4.370 -28.480 -10.155 1.00 75.79 H new ATOM 0 HD21 ASN A 156 -2.562 -30.400 -8.209 1.00 86.38 H new ATOM 0 HD22 ASN A 156 -2.938 -30.034 -9.603 1.00 86.38 H new ATOM 608 N SER A 157 -7.065 -26.897 -10.460 1.00 53.77 N ATOM 609 CA SER A 157 -7.807 -26.362 -11.589 1.00 78.05 C ATOM 610 C SER A 157 -8.968 -25.479 -11.142 1.00 74.55 C ATOM 611 O SER A 157 -9.900 -25.241 -11.919 1.00 67.88 O ATOM 612 CB SER A 157 -8.317 -27.496 -12.477 1.00 90.12 C ATOM 613 OG SER A 157 -9.093 -28.402 -11.724 1.00117.65 O ATOM 0 H SER A 157 -7.458 -27.543 -10.050 1.00 53.77 H new ATOM 0 HA SER A 157 -7.197 -25.807 -12.099 1.00 78.05 H new ATOM 0 HB2 SER A 157 -8.848 -27.132 -13.203 1.00 90.12 H new ATOM 0 HB3 SER A 157 -7.567 -27.961 -12.880 1.00 90.12 H new ATOM 0 HG SER A 157 -9.368 -29.019 -12.224 1.00117.65 H new ATOM 619 N HIS A 158 -8.929 -24.988 -9.910 1.00 68.51 N ATOM 620 CA HIS A 158 -9.910 -24.011 -9.491 1.00 58.36 C ATOM 621 C HIS A 158 -9.581 -22.662 -10.094 1.00 52.80 C ATOM 622 O HIS A 158 -8.453 -22.404 -10.528 1.00 47.51 O ATOM 623 CB HIS A 158 -9.937 -23.855 -7.983 1.00 54.97 C ATOM 624 CG HIS A 158 -10.157 -25.133 -7.261 1.00 52.98 C ATOM 625 ND1 HIS A 158 -10.303 -25.196 -5.896 1.00 56.96 N ATOM 626 CD2 HIS A 158 -10.262 -26.397 -7.715 1.00 41.83 C ATOM 627 CE1 HIS A 158 -10.474 -26.452 -5.534 1.00 53.73 C ATOM 628 NE2 HIS A 158 -10.449 -27.199 -6.621 1.00 49.89 N ATOM 0 H HIS A 158 -8.350 -25.206 -9.312 1.00 68.51 H new ATOM 0 HA HIS A 158 -10.776 -24.325 -9.794 1.00 58.36 H new ATOM 0 HB2 HIS A 158 -9.098 -23.466 -7.690 1.00 54.97 H new ATOM 0 HB3 HIS A 158 -10.639 -23.230 -7.742 1.00 54.97 H new ATOM 0 HD2 HIS A 158 -10.216 -26.672 -8.602 1.00 41.83 H new ATOM 0 HE1 HIS A 158 -10.592 -26.758 -4.664 1.00 53.73 H new ATOM 0 HE2 HIS A 158 -10.536 -28.054 -6.640 1.00 49.89 H new ATOM 636 N ASP A 159 -10.576 -21.776 -10.079 1.00 43.52 N ATOM 637 CA ASP A 159 -10.396 -20.435 -10.624 1.00 44.00 C ATOM 638 C ASP A 159 -9.925 -19.544 -9.477 1.00 40.88 C ATOM 639 O ASP A 159 -10.664 -18.716 -8.947 1.00 41.00 O ATOM 640 CB ASP A 159 -11.685 -19.950 -11.280 1.00 44.20 C ATOM 641 CG ASP A 159 -11.532 -18.611 -11.964 1.00 59.90 C ATOM 642 OD1 ASP A 159 -10.385 -18.085 -12.076 1.00 67.33 O ATOM 643 OD2 ASP A 159 -12.583 -18.071 -12.373 1.00 70.84 O1- ATOM 0 H ASP A 159 -11.359 -21.932 -9.759 1.00 43.52 H new ATOM 0 HA ASP A 159 -9.728 -20.417 -11.327 1.00 44.00 H new ATOM 0 HB2 ASP A 159 -11.979 -20.608 -11.930 1.00 44.20 H new ATOM 0 HB3 ASP A 159 -12.380 -19.886 -10.607 1.00 44.20 H new ATOM 648 N TYR A 160 -8.661 -19.731 -9.091 1.00 39.50 N ATOM 649 CA TYR A 160 -8.080 -18.919 -8.040 1.00 39.71 C ATOM 650 C TYR A 160 -7.352 -17.719 -8.637 1.00 44.93 C ATOM 651 O TYR A 160 -7.056 -17.656 -9.840 1.00 47.91 O ATOM 652 CB TYR A 160 -7.114 -19.730 -7.154 1.00 43.45 C ATOM 653 CG TYR A 160 -5.907 -20.241 -7.905 1.00 48.21 C ATOM 654 CD1 TYR A 160 -4.765 -19.453 -8.030 1.00 45.22 C ATOM 655 CD2 TYR A 160 -5.914 -21.495 -8.509 1.00 46.30 C ATOM 656 CE1 TYR A 160 -3.687 -19.892 -8.732 1.00 42.16 C ATOM 657 CE2 TYR A 160 -4.836 -21.939 -9.205 1.00 42.79 C ATOM 658 CZ TYR A 160 -3.728 -21.132 -9.325 1.00 38.00 C ATOM 659 OH TYR A 160 -2.635 -21.562 -10.015 1.00 52.75 O ATOM 0 H TYR A 160 -8.132 -20.320 -9.427 1.00 39.50 H new ATOM 0 HA TYR A 160 -8.808 -18.609 -7.479 1.00 39.71 H new ATOM 0 HB2 TYR A 160 -6.818 -19.175 -6.416 1.00 43.45 H new ATOM 0 HB3 TYR A 160 -7.591 -20.482 -6.769 1.00 43.45 H new ATOM 0 HD1 TYR A 160 -4.740 -18.615 -7.628 1.00 45.22 H new ATOM 0 HD2 TYR A 160 -6.667 -22.036 -8.435 1.00 46.30 H new ATOM 0 HE1 TYR A 160 -2.929 -19.359 -8.810 1.00 42.16 H new ATOM 0 HE2 TYR A 160 -4.846 -22.782 -9.598 1.00 42.79 H new ATOM 0 HH TYR A 160 -2.783 -22.328 -10.326 1.00 52.75 H new ATOM 669 N SER A 161 -7.058 -16.759 -7.760 1.00 45.63 N ATOM 670 CA SER A 161 -6.248 -15.611 -8.104 1.00 40.13 C ATOM 671 C SER A 161 -5.587 -15.102 -6.835 1.00 36.38 C ATOM 672 O SER A 161 -6.078 -15.294 -5.725 1.00 44.42 O ATOM 673 CB SER A 161 -7.093 -14.522 -8.770 1.00 33.29 C ATOM 674 OG SER A 161 -8.113 -14.083 -7.895 1.00 53.36 O ATOM 0 H SER A 161 -7.329 -16.763 -6.944 1.00 45.63 H new ATOM 0 HA SER A 161 -5.567 -15.865 -8.746 1.00 40.13 H new ATOM 0 HB2 SER A 161 -6.528 -13.774 -9.019 1.00 33.29 H new ATOM 0 HB3 SER A 161 -7.486 -14.865 -9.588 1.00 33.29 H new ATOM 0 HG SER A 161 -8.568 -13.485 -8.272 1.00 53.36 H new ATOM 680 N ILE A 162 -4.487 -14.452 -7.024 1.00 34.59 N ATOM 681 CA ILE A 162 -3.792 -13.761 -5.959 1.00 37.72 C ATOM 682 C ILE A 162 -4.420 -12.397 -5.764 1.00 43.73 C ATOM 683 O ILE A 162 -4.783 -11.713 -6.734 1.00 41.92 O ATOM 684 CB ILE A 162 -2.300 -13.610 -6.298 1.00 39.71 C ATOM 685 CG1 ILE A 162 -1.514 -14.887 -6.014 1.00 41.08 C ATOM 686 CG2 ILE A 162 -1.710 -12.519 -5.467 1.00 43.00 C ATOM 687 CD1 ILE A 162 -0.128 -14.880 -6.667 1.00 44.75 C ATOM 0 H ILE A 162 -4.101 -14.389 -7.790 1.00 34.59 H new ATOM 0 HA ILE A 162 -3.867 -14.277 -5.141 1.00 37.72 H new ATOM 0 HB ILE A 162 -2.241 -13.409 -7.245 1.00 39.71 H new ATOM 0 HG12 ILE A 162 -1.416 -14.996 -5.055 1.00 41.08 H new ATOM 0 HG13 ILE A 162 -2.017 -15.651 -6.337 1.00 41.08 H new ATOM 0 HG21 ILE A 162 -0.769 -12.423 -5.680 1.00 43.00 H new ATOM 0 HG22 ILE A 162 -2.170 -11.686 -5.653 1.00 43.00 H new ATOM 0 HG23 ILE A 162 -1.808 -12.739 -4.527 1.00 43.00 H new ATOM 0 HD11 ILE A 162 0.332 -15.708 -6.459 1.00 44.75 H new ATOM 0 HD12 ILE A 162 -0.224 -14.796 -7.629 1.00 44.75 H new ATOM 0 HD13 ILE A 162 0.386 -14.131 -6.327 1.00 44.75 H new ATOM 699 N ILE A 163 -4.483 -11.958 -4.510 1.00 37.23 N ATOM 700 CA ILE A 163 -4.970 -10.626 -4.216 1.00 29.30 C ATOM 701 C ILE A 163 -4.103 -9.969 -3.155 1.00 38.42 C ATOM 702 O ILE A 163 -3.750 -10.574 -2.135 1.00 40.29 O ATOM 703 CB ILE A 163 -6.441 -10.646 -3.782 1.00 45.18 C ATOM 704 CG1 ILE A 163 -6.635 -11.501 -2.544 1.00 40.88 C ATOM 705 CG2 ILE A 163 -7.318 -11.264 -4.860 1.00 48.09 C ATOM 706 CD1 ILE A 163 -8.085 -11.957 -2.330 1.00 39.80 C ATOM 0 H ILE A 163 -4.249 -12.417 -3.822 1.00 37.23 H new ATOM 0 HA ILE A 163 -4.915 -10.102 -5.031 1.00 29.30 H new ATOM 0 HB ILE A 163 -6.687 -9.723 -3.613 1.00 45.18 H new ATOM 0 HG12 ILE A 163 -6.065 -12.283 -2.608 1.00 40.88 H new ATOM 0 HG13 ILE A 163 -6.344 -11.000 -1.766 1.00 40.88 H new ATOM 0 HG21 ILE A 163 -8.242 -11.266 -4.564 1.00 48.09 H new ATOM 0 HG22 ILE A 163 -7.241 -10.746 -5.676 1.00 48.09 H new ATOM 0 HG23 ILE A 163 -7.031 -12.175 -5.028 1.00 48.09 H new ATOM 0 HD11 ILE A 163 -8.139 -12.497 -1.526 1.00 39.80 H new ATOM 0 HD12 ILE A 163 -8.658 -11.180 -2.237 1.00 39.80 H new ATOM 0 HD13 ILE A 163 -8.375 -12.483 -3.092 1.00 39.80 H new ATOM 718 N TYR A 164 -3.749 -8.725 -3.412 1.00 40.21 N ATOM 719 CA TYR A 164 -3.043 -7.897 -2.446 1.00 42.67 C ATOM 720 C TYR A 164 -4.094 -7.185 -1.617 1.00 36.70 C ATOM 721 O TYR A 164 -4.818 -6.332 -2.112 1.00 38.65 O ATOM 722 CB TYR A 164 -2.122 -6.965 -3.191 1.00 32.73 C ATOM 723 CG TYR A 164 -1.154 -7.758 -3.983 1.00 36.23 C ATOM 724 CD1 TYR A 164 -1.411 -8.088 -5.310 1.00 46.66 C ATOM 725 CD2 TYR A 164 0.005 -8.224 -3.402 1.00 39.75 C ATOM 726 CE1 TYR A 164 -0.507 -8.831 -6.049 1.00 42.20 C ATOM 727 CE2 TYR A 164 0.920 -8.948 -4.120 1.00 44.23 C ATOM 728 CZ TYR A 164 0.660 -9.255 -5.447 1.00 44.44 C ATOM 729 OH TYR A 164 1.567 -9.990 -6.170 1.00 52.14 O ATOM 0 H TYR A 164 -3.912 -8.330 -4.158 1.00 40.21 H new ATOM 0 HA TYR A 164 -2.483 -8.409 -1.842 1.00 42.67 H new ATOM 0 HB2 TYR A 164 -2.636 -6.386 -3.775 1.00 32.73 H new ATOM 0 HB3 TYR A 164 -1.651 -6.392 -2.566 1.00 32.73 H new ATOM 0 HD1 TYR A 164 -2.203 -7.805 -5.707 1.00 46.66 H new ATOM 0 HD2 TYR A 164 0.170 -8.044 -2.505 1.00 39.75 H new ATOM 0 HE1 TYR A 164 -0.683 -9.041 -6.938 1.00 42.20 H new ATOM 0 HE2 TYR A 164 1.710 -9.232 -3.720 1.00 44.23 H new ATOM 0 HH TYR A 164 2.226 -10.179 -5.684 1.00 52.14 H new ATOM 739 N THR A 165 -4.257 -7.626 -0.390 1.00 37.77 N ATOM 740 CA THR A 165 -5.376 -7.193 0.417 1.00 42.01 C ATOM 741 C THR A 165 -4.881 -6.156 1.410 1.00 51.75 C ATOM 742 O THR A 165 -3.703 -6.139 1.773 1.00 55.27 O ATOM 743 CB THR A 165 -6.011 -8.377 1.137 1.00 49.37 C ATOM 744 OG1 THR A 165 -7.038 -7.877 2.000 1.00 52.73 O ATOM 745 CG2 THR A 165 -4.967 -9.164 1.933 1.00 45.28 C ATOM 0 H THR A 165 -3.728 -8.181 -0.001 1.00 37.77 H new ATOM 0 HA THR A 165 -6.058 -6.800 -0.150 1.00 42.01 H new ATOM 0 HB THR A 165 -6.392 -8.988 0.487 1.00 49.37 H new ATOM 0 HG1 THR A 165 -7.196 -8.440 2.603 1.00 52.73 H new ATOM 0 HG21 THR A 165 -5.396 -9.910 2.381 1.00 45.28 H new ATOM 0 HG22 THR A 165 -4.284 -9.498 1.330 1.00 45.28 H new ATOM 0 HG23 THR A 165 -4.558 -8.583 2.594 1.00 45.28 H new ATOM 753 N GLY A 166 -5.770 -5.257 1.804 1.00 48.00 N ATOM 754 CA GLY A 166 -5.453 -4.349 2.871 1.00 45.96 C ATOM 755 C GLY A 166 -6.159 -4.658 4.153 1.00 41.15 C ATOM 756 O GLY A 166 -5.975 -3.932 5.135 1.00 60.36 O ATOM 0 H GLY A 166 -6.555 -5.162 1.465 1.00 48.00 H new ATOM 0 HA2 GLY A 166 -4.496 -4.366 3.026 1.00 45.96 H new ATOM 0 HA3 GLY A 166 -5.680 -3.447 2.595 1.00 45.96 H new ATOM 760 N GLY A 167 -6.987 -5.693 4.171 1.00 46.56 N ATOM 761 CA GLY A 167 -7.694 -6.062 5.382 1.00 52.17 C ATOM 762 C GLY A 167 -8.515 -7.329 5.211 1.00 47.65 C ATOM 763 O GLY A 167 -8.795 -7.780 4.096 1.00 39.86 O ATOM 0 H GLY A 167 -7.152 -6.193 3.491 1.00 46.56 H new ATOM 0 HA2 GLY A 167 -7.055 -6.188 6.101 1.00 52.17 H new ATOM 0 HA3 GLY A 167 -8.278 -5.334 5.647 1.00 52.17 H new ATOM 767 N GLY A 168 -8.888 -7.899 6.354 1.00 41.75 N ATOM 768 CA GLY A 168 -9.791 -9.014 6.438 1.00 39.72 C ATOM 769 C GLY A 168 -9.177 -10.159 7.188 1.00 40.55 C ATOM 770 O GLY A 168 -8.133 -10.026 7.841 1.00 35.55 O ATOM 0 H GLY A 168 -8.607 -7.630 7.121 1.00 41.75 H new ATOM 0 HA2 GLY A 168 -10.609 -8.737 6.879 1.00 39.72 H new ATOM 0 HA3 GLY A 168 -10.034 -9.303 5.545 1.00 39.72 H new ATOM 774 N CYS A 169 -9.856 -11.308 7.098 1.00 40.12 N ATOM 775 CA CYS A 169 -9.370 -12.513 7.749 1.00 46.22 C ATOM 776 C CYS A 169 -9.607 -13.744 6.864 1.00 49.54 C ATOM 777 O CYS A 169 -10.475 -13.787 5.979 1.00 40.55 O ATOM 778 CB CYS A 169 -10.014 -12.679 9.164 1.00 41.68 C ATOM 779 SG CYS A 169 -11.840 -12.524 9.265 1.00 71.62 S ATOM 0 H CYS A 169 -10.594 -11.404 6.667 1.00 40.12 H new ATOM 0 HA CYS A 169 -8.412 -12.429 7.876 1.00 46.22 H new ATOM 0 HB2 CYS A 169 -9.765 -13.551 9.509 1.00 41.68 H new ATOM 0 HB3 CYS A 169 -9.621 -12.017 9.755 1.00 41.68 H new ATOM 0 HG CYS A 169 -12.193 -12.675 10.402 1.00 71.62 H new ATOM 785 N CYS A 170 -8.788 -14.751 7.123 1.00 36.78 N ATOM 786 CA CYS A 170 -8.821 -15.969 6.340 1.00 42.22 C ATOM 787 C CYS A 170 -10.080 -16.760 6.652 1.00 44.80 C ATOM 788 O CYS A 170 -10.429 -16.950 7.819 1.00 48.13 O ATOM 789 CB CYS A 170 -7.579 -16.809 6.641 1.00 29.85 C ATOM 790 SG CYS A 170 -7.619 -18.346 5.843 1.00 35.72 S ATOM 0 H CYS A 170 -8.202 -14.747 7.753 1.00 36.78 H new ATOM 0 HA CYS A 170 -8.827 -15.740 5.397 1.00 42.22 H new ATOM 0 HB2 CYS A 170 -6.787 -16.323 6.363 1.00 29.85 H new ATOM 0 HB3 CYS A 170 -7.507 -16.945 7.599 1.00 29.85 H new ATOM 795 N ASP A 171 -10.737 -17.259 5.607 1.00 40.56 N ATOM 796 CA ASP A 171 -11.986 -18.002 5.739 1.00 42.73 C ATOM 797 C ASP A 171 -11.776 -19.506 5.862 1.00 36.11 C ATOM 798 O ASP A 171 -12.765 -20.246 5.877 1.00 43.82 O ATOM 799 CB ASP A 171 -12.901 -17.709 4.542 1.00 31.68 C ATOM 800 CG ASP A 171 -13.363 -16.258 4.515 1.00 41.73 C ATOM 801 OD1 ASP A 171 -13.823 -15.779 5.571 1.00 44.26 O ATOM 802 OD2 ASP A 171 -13.228 -15.588 3.457 1.00 42.25 O1- ATOM 0 H ASP A 171 -10.467 -17.174 4.795 1.00 40.56 H new ATOM 0 HA ASP A 171 -12.401 -17.702 6.563 1.00 42.73 H new ATOM 0 HB2 ASP A 171 -12.430 -17.912 3.719 1.00 31.68 H new ATOM 0 HB3 ASP A 171 -13.675 -18.293 4.578 1.00 31.68 H new ATOM 807 N CYS A 172 -10.525 -19.969 5.979 1.00 41.41 N ATOM 808 CA CYS A 172 -10.241 -21.401 5.952 1.00 40.65 C ATOM 809 C CYS A 172 -10.803 -22.078 7.183 1.00 36.78 C ATOM 810 O CYS A 172 -10.524 -21.675 8.314 1.00 47.58 O ATOM 811 CB CYS A 172 -8.746 -21.684 5.863 1.00 44.24 C ATOM 812 SG CYS A 172 -8.365 -23.439 5.429 1.00 37.62 S ATOM 0 H CYS A 172 -9.832 -19.469 6.074 1.00 41.41 H new ATOM 0 HA CYS A 172 -10.667 -21.758 5.157 1.00 40.65 H new ATOM 0 HB2 CYS A 172 -8.351 -21.099 5.198 1.00 44.24 H new ATOM 0 HB3 CYS A 172 -8.331 -21.469 6.713 1.00 44.24 H new ATOM 817 N GLY A 173 -11.564 -23.142 6.963 1.00 49.40 N ATOM 818 CA GLY A 173 -12.177 -23.871 8.044 1.00 57.68 C ATOM 819 C GLY A 173 -13.581 -23.424 8.390 1.00 50.98 C ATOM 820 O GLY A 173 -14.315 -24.165 9.041 1.00 58.13 O ATOM 0 H GLY A 173 -11.735 -23.456 6.181 1.00 49.40 H new ATOM 0 HA2 GLY A 173 -12.198 -24.813 7.812 1.00 57.68 H new ATOM 0 HA3 GLY A 173 -11.619 -23.785 8.833 1.00 57.68 H new ATOM 824 N ASP A 174 -13.988 -22.248 7.955 1.00 51.25 N ATOM 825 CA ASP A 174 -15.315 -21.745 8.254 1.00 47.47 C ATOM 826 C ASP A 174 -16.237 -22.110 7.097 1.00 48.19 C ATOM 827 O ASP A 174 -16.172 -21.508 6.020 1.00 50.13 O ATOM 828 CB ASP A 174 -15.274 -20.245 8.499 1.00 47.60 C ATOM 829 CG ASP A 174 -16.640 -19.693 8.807 1.00 52.34 C ATOM 830 OD1 ASP A 174 -17.599 -20.495 8.790 1.00 50.49 O ATOM 831 OD2 ASP A 174 -16.761 -18.479 9.050 1.00 54.15 O1- ATOM 0 H ASP A 174 -13.506 -21.718 7.479 1.00 51.25 H new ATOM 0 HA ASP A 174 -15.656 -22.150 9.067 1.00 47.47 H new ATOM 0 HB2 ASP A 174 -14.674 -20.054 9.237 1.00 47.60 H new ATOM 0 HB3 ASP A 174 -14.913 -19.799 7.717 1.00 47.60 H new ATOM 836 N GLU A 175 -17.096 -23.102 7.311 1.00 50.23 N ATOM 837 CA GLU A 175 -17.913 -23.596 6.212 1.00 49.45 C ATOM 838 C GLU A 175 -19.049 -22.648 5.865 1.00 53.57 C ATOM 839 O GLU A 175 -19.736 -22.888 4.869 1.00 38.80 O ATOM 840 CB GLU A 175 -18.474 -24.980 6.530 1.00 55.76 C ATOM 841 CG GLU A 175 -19.173 -25.110 7.898 1.00 91.45 C ATOM 842 CD GLU A 175 -18.199 -25.164 9.091 1.00107.23 C ATOM 843 OE1 GLU A 175 -17.125 -25.811 9.002 1.00 77.68 O ATOM 844 OE2 GLU A 175 -18.498 -24.518 10.118 1.00 87.69 O1- ATOM 0 H GLU A 175 -17.219 -23.494 8.067 1.00 50.23 H new ATOM 0 HA GLU A 175 -17.330 -23.656 5.439 1.00 49.45 H new ATOM 0 HB2 GLU A 175 -19.106 -25.224 5.836 1.00 55.76 H new ATOM 0 HB3 GLU A 175 -17.749 -25.623 6.492 1.00 55.76 H new ATOM 0 HG2 GLU A 175 -19.775 -24.359 8.017 1.00 91.45 H new ATOM 0 HG3 GLU A 175 -19.717 -25.913 7.899 1.00 91.45 H new ATOM 851 N THR A 176 -19.263 -21.573 6.640 1.00 50.74 N ATOM 852 CA THR A 176 -20.193 -20.552 6.165 1.00 51.68 C ATOM 853 C THR A 176 -19.561 -19.579 5.177 1.00 45.32 C ATOM 854 O THR A 176 -20.294 -18.772 4.605 1.00 44.40 O ATOM 855 CB THR A 176 -20.822 -19.758 7.313 1.00 41.46 C ATOM 856 OG1 THR A 176 -19.820 -19.274 8.208 1.00 54.68 O ATOM 857 CG2 THR A 176 -21.796 -20.634 8.065 1.00 57.15 C ATOM 0 H THR A 176 -18.898 -21.425 7.404 1.00 50.74 H new ATOM 0 HA THR A 176 -20.887 -21.048 5.703 1.00 51.68 H new ATOM 0 HB THR A 176 -21.291 -18.996 6.937 1.00 41.46 H new ATOM 0 HG1 THR A 176 -19.330 -19.911 8.452 1.00 54.68 H new ATOM 0 HG21 THR A 176 -22.192 -20.128 8.791 1.00 57.15 H new ATOM 0 HG22 THR A 176 -22.494 -20.934 7.462 1.00 57.15 H new ATOM 0 HG23 THR A 176 -21.328 -21.403 8.425 1.00 57.15 H new ATOM 865 N ALA A 177 -18.239 -19.668 4.928 1.00 51.68 N ATOM 866 CA ALA A 177 -17.561 -18.823 3.948 1.00 44.78 C ATOM 867 C ALA A 177 -16.842 -19.598 2.849 1.00 40.13 C ATOM 868 O ALA A 177 -16.604 -19.038 1.774 1.00 37.09 O ATOM 869 CB ALA A 177 -16.551 -17.900 4.649 1.00 42.58 C ATOM 0 H ALA A 177 -17.719 -20.224 5.328 1.00 51.68 H new ATOM 0 HA ALA A 177 -18.263 -18.309 3.519 1.00 44.78 H new ATOM 0 HB1 ALA A 177 -16.108 -17.344 3.989 1.00 42.58 H new ATOM 0 HB2 ALA A 177 -17.016 -17.336 5.286 1.00 42.58 H new ATOM 0 HB3 ALA A 177 -15.891 -18.437 5.115 1.00 42.58 H new ATOM 875 N TRP A 178 -16.575 -20.880 3.049 1.00 46.51 N ATOM 876 CA TRP A 178 -15.647 -21.617 2.202 1.00 48.37 C ATOM 877 C TRP A 178 -16.100 -23.061 2.170 1.00 35.46 C ATOM 878 O TRP A 178 -16.370 -23.624 3.232 1.00 42.62 O ATOM 879 CB TRP A 178 -14.224 -21.511 2.772 1.00 32.67 C ATOM 880 CG TRP A 178 -13.108 -21.676 1.798 1.00 41.15 C ATOM 881 CD1 TRP A 178 -12.331 -22.789 1.624 1.00 42.92 C ATOM 882 CD2 TRP A 178 -12.596 -20.684 0.895 1.00 39.31 C ATOM 883 NE1 TRP A 178 -11.380 -22.556 0.661 1.00 45.54 N ATOM 884 CE2 TRP A 178 -11.517 -21.272 0.197 1.00 48.01 C ATOM 885 CE3 TRP A 178 -12.948 -19.362 0.602 1.00 39.83 C ATOM 886 CZ2 TRP A 178 -10.793 -20.583 -0.787 1.00 38.84 C ATOM 887 CZ3 TRP A 178 -12.228 -18.679 -0.362 1.00 42.17 C ATOM 888 CH2 TRP A 178 -11.159 -19.293 -1.048 1.00 38.92 C ATOM 0 H TRP A 178 -16.926 -21.348 3.679 1.00 46.51 H new ATOM 0 HA TRP A 178 -15.637 -21.251 1.304 1.00 48.37 H new ATOM 0 HB2 TRP A 178 -14.131 -20.645 3.198 1.00 32.67 H new ATOM 0 HB3 TRP A 178 -14.124 -22.181 3.466 1.00 32.67 H new ATOM 0 HD1 TRP A 178 -12.432 -23.587 2.090 1.00 42.92 H new ATOM 0 HE1 TRP A 178 -10.793 -23.124 0.392 1.00 45.54 H new ATOM 0 HE3 TRP A 178 -13.653 -18.950 1.047 1.00 39.83 H new ATOM 0 HZ2 TRP A 178 -10.092 -20.988 -1.244 1.00 38.84 H new ATOM 0 HZ3 TRP A 178 -12.453 -17.799 -0.561 1.00 42.17 H new ATOM 0 HH2 TRP A 178 -10.694 -18.809 -1.692 1.00 38.92 H new ATOM 899 N LYS A 179 -16.186 -23.642 0.974 1.00 41.83 N ATOM 900 CA LYS A 179 -16.529 -25.066 0.822 1.00 47.19 C ATOM 901 C LYS A 179 -15.511 -25.941 1.557 1.00 49.38 C ATOM 902 O LYS A 179 -14.300 -25.741 1.389 1.00 43.51 O ATOM 903 CB LYS A 179 -16.593 -25.456 -0.665 1.00 34.10 C ATOM 904 CG LYS A 179 -17.939 -25.078 -1.314 1.00 50.91 C ATOM 905 CD LYS A 179 -18.025 -25.214 -2.847 1.00 51.69 C ATOM 906 CE LYS A 179 -18.943 -24.117 -3.481 1.00 57.91 C ATOM 907 NZ LYS A 179 -19.797 -23.264 -2.534 1.00 64.17 N ATOM 0 H LYS A 179 -16.049 -23.230 0.231 1.00 41.83 H new ATOM 0 HA LYS A 179 -17.405 -25.211 1.213 1.00 47.19 H new ATOM 0 HB2 LYS A 179 -15.872 -25.018 -1.143 1.00 34.10 H new ATOM 0 HB3 LYS A 179 -16.452 -26.412 -0.753 1.00 34.10 H new ATOM 0 HG2 LYS A 179 -18.632 -25.631 -0.921 1.00 50.91 H new ATOM 0 HG3 LYS A 179 -18.142 -24.159 -1.079 1.00 50.91 H new ATOM 0 HD2 LYS A 179 -17.135 -25.149 -3.227 1.00 51.69 H new ATOM 0 HD3 LYS A 179 -18.368 -26.093 -3.074 1.00 51.69 H new ATOM 0 HE2 LYS A 179 -18.380 -23.518 -3.995 1.00 57.91 H new ATOM 0 HE3 LYS A 179 -19.540 -24.554 -4.108 1.00 57.91 H new ATOM 0 HZ1 LYS A 179 -20.367 -22.772 -3.009 1.00 64.17 H new ATOM 0 HZ2 LYS A 179 -20.252 -23.796 -1.984 1.00 64.17 H new ATOM 0 HZ3 LYS A 179 -19.269 -22.729 -2.058 1.00 64.17 H new ATOM 921 N PRO A 180 -15.952 -26.906 2.384 1.00 50.96 N ATOM 922 CA PRO A 180 -14.977 -27.679 3.186 1.00 50.22 C ATOM 923 C PRO A 180 -13.934 -28.436 2.366 1.00 54.87 C ATOM 924 O PRO A 180 -12.821 -28.652 2.868 1.00 54.96 O ATOM 925 CB PRO A 180 -15.873 -28.629 4.001 1.00 43.84 C ATOM 926 CG PRO A 180 -17.219 -27.916 4.050 1.00 48.77 C ATOM 927 CD PRO A 180 -17.337 -27.323 2.668 1.00 48.18 C ATOM 0 HA PRO A 180 -14.425 -27.095 3.729 1.00 50.22 H new ATOM 0 HB2 PRO A 180 -15.947 -29.498 3.577 1.00 43.84 H new ATOM 0 HB3 PRO A 180 -15.517 -28.777 4.891 1.00 43.84 H new ATOM 0 HG2 PRO A 180 -17.945 -28.531 4.241 1.00 48.77 H new ATOM 0 HG3 PRO A 180 -17.239 -27.232 4.738 1.00 48.77 H new ATOM 0 HD2 PRO A 180 -17.659 -27.972 2.023 1.00 48.18 H new ATOM 0 HD3 PRO A 180 -17.952 -26.573 2.648 1.00 48.18 H new ATOM 935 N ASP A 181 -14.250 -28.844 1.128 1.00 45.14 N ATOM 936 CA ASP A 181 -13.253 -29.502 0.294 1.00 46.15 C ATOM 937 C ASP A 181 -12.086 -28.571 -0.021 1.00 53.48 C ATOM 938 O ASP A 181 -11.052 -29.017 -0.520 1.00 51.13 O ATOM 939 CB ASP A 181 -13.879 -29.996 -1.013 1.00 60.04 C ATOM 940 CG ASP A 181 -14.524 -31.366 -0.877 1.00 73.58 C ATOM 941 OD1 ASP A 181 -14.303 -32.050 0.173 1.00 82.68 O ATOM 942 OD2 ASP A 181 -15.255 -31.757 -1.806 1.00 85.58 O1- ATOM 0 H ASP A 181 -15.023 -28.748 0.764 1.00 45.14 H new ATOM 0 HA ASP A 181 -12.916 -30.261 0.795 1.00 46.15 H new ATOM 0 HB2 ASP A 181 -14.546 -29.357 -1.309 1.00 60.04 H new ATOM 0 HB3 ASP A 181 -13.196 -30.032 -1.701 1.00 60.04 H new ATOM 947 N GLY A 182 -12.261 -27.270 0.169 1.00 46.83 N ATOM 948 CA GLY A 182 -11.205 -26.307 -0.040 1.00 45.48 C ATOM 949 C GLY A 182 -10.448 -25.942 1.211 1.00 43.73 C ATOM 950 O GLY A 182 -9.607 -25.033 1.167 1.00 44.15 O ATOM 0 H GLY A 182 -13.005 -26.923 0.425 1.00 46.83 H new ATOM 0 HA2 GLY A 182 -10.581 -26.662 -0.692 1.00 45.48 H new ATOM 0 HA3 GLY A 182 -11.586 -25.501 -0.422 1.00 45.48 H new ATOM 954 N PHE A 183 -10.735 -26.602 2.328 1.00 41.21 N ATOM 955 CA PHE A 183 -9.959 -26.403 3.539 1.00 45.16 C ATOM 956 C PHE A 183 -8.548 -26.956 3.338 1.00 45.60 C ATOM 957 O PHE A 183 -8.312 -27.889 2.558 1.00 43.83 O ATOM 958 CB PHE A 183 -10.615 -27.113 4.740 1.00 42.53 C ATOM 959 CG PHE A 183 -11.935 -26.536 5.182 1.00 45.07 C ATOM 960 CD1 PHE A 183 -12.718 -27.215 6.096 1.00 59.28 C ATOM 961 CD2 PHE A 183 -12.389 -25.324 4.713 1.00 56.25 C ATOM 962 CE1 PHE A 183 -13.928 -26.708 6.509 1.00 56.44 C ATOM 963 CE2 PHE A 183 -13.598 -24.814 5.130 1.00 46.67 C ATOM 964 CZ PHE A 183 -14.363 -25.500 6.023 1.00 51.48 C ATOM 0 H PHE A 183 -11.377 -27.170 2.403 1.00 41.21 H new ATOM 0 HA PHE A 183 -9.922 -25.452 3.724 1.00 45.16 H new ATOM 0 HB2 PHE A 183 -10.746 -28.047 4.513 1.00 42.53 H new ATOM 0 HB3 PHE A 183 -9.999 -27.086 5.489 1.00 42.53 H new ATOM 0 HD1 PHE A 183 -12.422 -28.028 6.437 1.00 59.28 H new ATOM 0 HD2 PHE A 183 -11.873 -24.844 4.107 1.00 56.25 H new ATOM 0 HE1 PHE A 183 -14.450 -27.182 7.116 1.00 56.44 H new ATOM 0 HE2 PHE A 183 -13.894 -23.996 4.800 1.00 46.67 H new ATOM 0 HZ PHE A 183 -15.178 -25.151 6.303 1.00 51.48 H new ATOM 974 N CYS A 184 -7.605 -26.391 4.065 1.00 50.98 N ATOM 975 CA CYS A 184 -6.284 -26.982 4.098 1.00 48.37 C ATOM 976 C CYS A 184 -6.240 -28.082 5.164 1.00 58.20 C ATOM 977 O CYS A 184 -7.215 -28.353 5.881 1.00 50.29 O ATOM 978 CB CYS A 184 -5.240 -25.907 4.370 1.00 47.32 C ATOM 979 SG CYS A 184 -5.271 -25.513 6.076 1.00 46.24 S ATOM 0 H CYS A 184 -7.704 -25.680 4.538 1.00 50.98 H new ATOM 0 HA CYS A 184 -6.084 -27.382 3.238 1.00 48.37 H new ATOM 0 HB2 CYS A 184 -4.359 -26.221 4.113 1.00 47.32 H new ATOM 0 HB3 CYS A 184 -5.425 -25.117 3.839 1.00 47.32 H new ATOM 984 N SER A 185 -5.069 -28.709 5.279 1.00 61.68 N ATOM 985 CA SER A 185 -4.916 -29.878 6.136 1.00 55.70 C ATOM 986 C SER A 185 -5.171 -29.529 7.590 1.00 60.03 C ATOM 987 O SER A 185 -5.894 -30.241 8.293 1.00 62.85 O ATOM 988 CB SER A 185 -3.510 -30.433 5.975 1.00 58.73 C ATOM 989 OG SER A 185 -3.137 -30.418 4.609 1.00 62.44 O ATOM 0 H SER A 185 -4.352 -28.471 4.868 1.00 61.68 H new ATOM 0 HA SER A 185 -5.568 -30.545 5.871 1.00 55.70 H new ATOM 0 HB2 SER A 185 -2.884 -29.905 6.495 1.00 58.73 H new ATOM 0 HB3 SER A 185 -3.470 -31.339 6.319 1.00 58.73 H new ATOM 0 HG SER A 185 -2.359 -30.724 4.527 1.00 62.44 H new ATOM 995 N ASN A 186 -4.598 -28.423 8.056 1.00 49.17 N ATOM 996 CA ASN A 186 -4.707 -28.054 9.461 1.00 60.21 C ATOM 997 C ASN A 186 -6.032 -27.405 9.834 1.00 56.87 C ATOM 998 O ASN A 186 -6.093 -26.758 10.887 1.00 60.99 O ATOM 999 CB ASN A 186 -3.574 -27.108 9.845 1.00 52.23 C ATOM 1000 CG ASN A 186 -2.327 -27.419 9.113 1.00 63.04 C ATOM 1001 OD1 ASN A 186 -1.744 -28.487 9.306 1.00 65.34 O ATOM 1002 ND2 ASN A 186 -1.934 -26.530 8.197 1.00 69.40 N ATOM 0 H ASN A 186 -4.143 -27.874 7.575 1.00 49.17 H new ATOM 0 HA ASN A 186 -4.651 -28.888 9.953 1.00 60.21 H new ATOM 0 HB2 ASN A 186 -3.839 -26.194 9.659 1.00 52.23 H new ATOM 0 HB3 ASN A 186 -3.412 -27.168 10.800 1.00 52.23 H new ATOM 0 HD21 ASN A 186 -1.245 -26.692 7.709 1.00 69.40 H new ATOM 0 HD22 ASN A 186 -2.370 -25.796 8.095 1.00 69.40 H new ATOM 1009 N HIS A 187 -7.082 -27.529 9.037 1.00 52.11 N ATOM 1010 CA HIS A 187 -8.362 -26.946 9.413 1.00 61.61 C ATOM 1011 C HIS A 187 -9.477 -27.845 8.887 1.00 67.26 C ATOM 1012 O HIS A 187 -10.419 -27.385 8.241 1.00 62.41 O ATOM 1013 CB HIS A 187 -8.490 -25.511 8.896 1.00 56.42 C ATOM 1014 CG HIS A 187 -7.492 -24.545 9.474 1.00 46.02 C ATOM 1015 ND1 HIS A 187 -6.509 -23.941 8.710 1.00 62.83 N ATOM 1016 CD2 HIS A 187 -7.352 -24.040 10.726 1.00 53.73 C ATOM 1017 CE1 HIS A 187 -5.795 -23.129 9.474 1.00 50.70 C ATOM 1018 NE2 HIS A 187 -6.289 -23.166 10.700 1.00 44.12 N ATOM 0 H HIS A 187 -7.077 -27.942 8.282 1.00 52.11 H new ATOM 0 HA HIS A 187 -8.429 -26.892 10.379 1.00 61.61 H new ATOM 0 HB2 HIS A 187 -8.394 -25.518 7.931 1.00 56.42 H new ATOM 0 HB3 HIS A 187 -9.384 -25.189 9.090 1.00 56.42 H new ATOM 0 HD2 HIS A 187 -7.877 -24.246 11.465 1.00 53.73 H new ATOM 0 HE1 HIS A 187 -5.069 -22.619 9.196 1.00 50.70 H new ATOM 0 HE2 HIS A 187 -5.994 -22.717 11.372 1.00 44.12 H new ATOM 1026 N LYS A 188 -9.337 -29.159 9.133 1.00 80.57 N ATOM 1027 CA LYS A 188 -10.334 -30.196 8.820 1.00 70.18 C ATOM 1028 C LYS A 188 -10.403 -30.532 7.336 1.00 74.34 C ATOM 1029 O LYS A 188 -9.415 -30.977 6.735 1.00 66.81 O ATOM 1030 CB LYS A 188 -11.715 -29.758 9.327 1.00 72.74 C ATOM 1031 CG LYS A 188 -12.876 -30.664 8.902 1.00 78.99 C ATOM 1032 CD LYS A 188 -14.136 -30.329 9.710 1.00 85.94 C ATOM 1033 CE LYS A 188 -14.668 -28.943 9.364 1.00 91.70 C ATOM 1034 NZ LYS A 188 -13.946 -27.846 10.087 1.00 74.97 N ATOM 0 H LYS A 188 -8.630 -29.481 9.501 1.00 80.57 H new ATOM 0 HA LYS A 188 -10.052 -31.006 9.274 1.00 70.18 H new ATOM 0 HB2 LYS A 188 -11.691 -29.718 10.296 1.00 72.74 H new ATOM 0 HB3 LYS A 188 -11.891 -28.858 9.010 1.00 72.74 H new ATOM 0 HG2 LYS A 188 -13.052 -30.552 7.955 1.00 78.99 H new ATOM 0 HG3 LYS A 188 -12.635 -31.594 9.037 1.00 78.99 H new ATOM 0 HD2 LYS A 188 -14.821 -30.993 9.534 1.00 85.94 H new ATOM 0 HD3 LYS A 188 -13.935 -30.373 10.658 1.00 85.94 H new ATOM 0 HE2 LYS A 188 -14.590 -28.801 8.408 1.00 91.70 H new ATOM 0 HE3 LYS A 188 -15.613 -28.900 9.581 1.00 91.70 H new ATOM 0 HZ1 LYS A 188 -14.537 -27.320 10.496 1.00 74.97 H new ATOM 0 HZ2 LYS A 188 -13.397 -28.200 10.691 1.00 74.97 H new ATOM 0 HZ3 LYS A 188 -13.475 -27.366 9.504 1.00 74.97 H new TER 1048 LYS A 188 HETATM 1049 ZN ZN A 201 -6.393 -23.424 6.681 1.00 47.18 ZN HETATM 1050 ZN ZN A 202 -5.612 -19.206 6.737 1.00 45.34 ZN HETATM 1051 ZN ZN A 203 -10.389 -23.715 -4.541 1.00 43.73 ZN CONECT 103 1050 CONECT 295 1051 CONECT 343 1051 CONECT 462 1050 CONECT 502 1049 1050 CONECT 583 1051 CONECT 625 1051 CONECT 790 1050 CONECT 812 1049 CONECT 979 1049 CONECT 1015 1049 CONECT 1049 502 812 979 1015 CONECT 1050 103 462 502 790 CONECT 1051 295 343 583 625 END