USER MOD reduce.3.24.130724 H: found=0, std=0, add=1249, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 13-FEB-97 1HFS TITLE CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST TITLE 2 STROMELYSIN-1 INHIBITED WITH THE N-CARBOXY-ALKYL INHIBITOR L-764,004 COMPND MOL_ID: 1; COMPND 2 MOLECULE: STROMELYSIN-1; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: MATRIX METALLOPROTEASE-3, PROTEOGLYCANASE; COMPND 5 EC: 3.4.24.17; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS HYDROLASE, METALLOPROTEASE, MATRIX METALLOPROTEASE-3, PROTEOGLYCANASE EXPDTA X-RAY DIFFRACTION AUTHOR J.W.BECKER REVDAT 4 22-FEB-12 1HFS 1 JRNL VERSN REVDAT 3 24-FEB-09 1HFS 1 VERSN REVDAT 2 01-APR-03 1HFS 1 JRNL REVDAT 1 18-FEB-98 1HFS 0 JRNL AUTH C.K.ESSER,R.L.BUGIANESI,C.G.CALDWELL,K.T.CHAPMAN, JRNL AUTH 2 P.L.DURETTE,N.N.GIROTRA,I.E.KOPKA,T.J.LANZA,D.A.LEVORSE, JRNL AUTH 3 M.MACCOSS,K.A.OWENS,M.M.PONPIPOM,J.P.SIMEONE,R.K.HARRISON, JRNL AUTH 4 L.NIEDZWIECKI,J.W.BECKER,A.I.MARCY,M.G.AXEL,A.J.CHRISTEN, JRNL AUTH 5 J.MCDONNELL,V.L.MOORE,J.M.OLSZEWSKI,C.SAPHOS,D.M.VISCO, JRNL AUTH 6 F.SHEN,A.COLLETTI,P.A.KRIETER,W.K.HAGMANN JRNL TITL INHIBITION OF STROMELYSIN-1 (MMP-3) BY P1'-BIPHENYLYLETHYL JRNL TITL 2 CARBOXYALKYL DIPEPTIDES. JRNL REF J.MED.CHEM. V. 40 1026 1997 JRNL REFN ISSN 0022-2623 JRNL PMID 9083493 JRNL DOI 10.1021/JM960465T REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH P.R.GOOLEY,J.F.O'CONNELL,A.I.MARCY,G.C.CUCA,M.G.AXEL, REMARK 1 AUTH 2 C.G.CALDWELL,W.K.HAGMANN,J.W.BECKER REMARK 1 TITL COMPARISON OF THE STRUCTURE OF HUMAN RECOMBINANT SHORT FORM REMARK 1 TITL 2 STROMELYSIN BY MULTIDIMENSIONAL HETERONUCLEAR NMR AND X-RAY REMARK 1 TITL 3 CRYSTALLOGRAPHY REMARK 1 REF J.BIOMOL.NMR V. 7 8 1996 REMARK 1 REFN ISSN 0925-2738 REMARK 1 REFERENCE 2 REMARK 1 AUTH J.W.BECKER,A.I.MARCY,L.L.ROKOSZ,M.G.AXEL,J.J.BURBAUM, REMARK 1 AUTH 2 P.M.FITZGERALD,P.M.CAMERON,C.K.ESSER,W.K.HAGMANN,J.D.HERMES, REMARK 1 AUTH 3 J.P.SPRINGER REMARK 1 TITL STROMELYSIN-1: THREE-DIMENSIONAL STRUCTURE OF THE INHIBITED REMARK 1 TITL 2 CATALYTIC DOMAIN AND OF THE C-TRUNCATED PROENZYME REMARK 1 REF PROTEIN SCI. V. 4 1966 1995 REMARK 1 REFN ISSN 0961-8368 REMARK 1 REFERENCE 3 REMARK 1 AUTH P.R.GOOLEY,J.F.O'CONNELL,A.I.MARCY,G.C.CUCA,S.P.SALOWE, REMARK 1 AUTH 2 B.L.BUSH,J.D.HERMES,C.K.ESSER,W.K.HAGMANN,J.P.SPRINGER, REMARK 1 AUTH 3 B.A.JOHNSON REMARK 1 TITL THE NMR STRUCTURE OF THE INHIBITED CATALYTIC DOMAIN OF HUMAN REMARK 1 TITL 2 STROMELYSIN-1 REMARK 1 REF NAT.STRUCT.BIOL. V. 1 111 1994 REMARK 1 REFN ISSN 1072-8368 REMARK 1 REFERENCE 4 REMARK 1 AUTH K.T.CHAPMAN,I.E.KOPKA,P.L.DURETTE,C.K.ESSER,T.J.LANZA, REMARK 1 AUTH 2 M.IZQUIERDO-MARTIN,L.NIEDZWIECKI,B.CHANG,R.K.HARRISON, REMARK 1 AUTH 3 D.W.KUO,T.Y.LIN,R.L.STEIN,W.K.HAGMANN REMARK 1 TITL INHIBITION OF MATRIX METALLOPROTEINASES BY N-CARBOXYALKYL REMARK 1 TITL 2 PEPTIDES REMARK 1 REF J.MED.CHEM. V. 36 4293 1993 REMARK 1 REFN ISSN 0022-2623 REMARK 1 REFERENCE 5 REMARK 1 AUTH A.I.MARCY,L.L.EIBERGER,R.HARRISON,H.K.CHAN,N.I.HUTCHINSON, REMARK 1 AUTH 2 W.K.HAGMANN,P.M.CAMERON,D.A.BOULTON,J.D.HERMES REMARK 1 TITL HUMAN FIBROBLAST STROMELYSIN CATALYTIC DOMAIN: EXPRESSION, REMARK 1 TITL 2 PURIFICATION, AND CHARACTERIZATION OF A C-TERMINALLY REMARK 1 TITL 3 TRUNCATED FORM REMARK 1 REF BIOCHEMISTRY V. 30 6476 1991 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0010 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 91.5 REMARK 3 NUMBER OF REFLECTIONS : 20353 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) : 0.189 REMARK 3 FREE R VALUE : 0.217 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 REMARK 3 FREE R VALUE TEST SET COUNT : 985 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.007 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.73 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 76.00 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 800 REMARK 3 BIN R VALUE (WORKING SET) : 0.3390 REMARK 3 BIN FREE R VALUE : 0.2910 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.20 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 35 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.049 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1271 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 57 REMARK 3 SOLVENT ATOMS : 143 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 19.50 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.20 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 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.19 REMARK 3 ESD FROM SIGMAA (A) : 0.10 REMARK 3 LOW RESOLUTION CUTOFF (A) : 20.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.22 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.08 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.30 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.00 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.19 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) : 1.300 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.200 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.340 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.640 ; 2.500 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 : SLN004.PAR REMARK 3 PARAMETER FILE 2 : NULL REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : SLN004.TOP REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED REMARK 4 REMARK 4 1HFS COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 29-AUG-94 REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU REMARK 200 INTENSITY-INTEGRATION SOFTWARE : R-AXIS REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 21587 REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.0 REMARK 200 DATA REDUNDANCY : 3.170 REMARK 200 R MERGE (I) : 0.03380 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL 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: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: X-PLOR 3.1 REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 53.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.76 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 27.63000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 27.63000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 42.07000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 42.67500 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 42.07000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 42.67500 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 27.63000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 42.07000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 42.67500 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 27.63000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 42.07000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 42.67500 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC 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 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 85.35000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 55.26000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 433 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 468 LIES ON A SPECIAL POSITION. 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 ILE A 89 87.98 39.24 REMARK 500 ARG A 149 -132.51 49.96 REMARK 500 ASN A 162 -123.82 54.21 REMARK 500 ASP A 189 -165.24 -115.67 REMARK 500 TYR A 246 -81.16 -110.18 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 257 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 L04 A 256 O5 REMARK 620 2 HIS A 201 NE2 111.4 REMARK 620 3 HIS A 205 NE2 128.8 103.4 REMARK 620 4 HIS A 211 NE2 103.5 108.2 99.6 REMARK 620 5 L04 A 256 O4 54.4 93.3 88.2 154.4 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 258 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 151 NE2 REMARK 620 2 ASP A 153 OD2 104.9 REMARK 620 3 HIS A 166 NE2 119.0 114.2 REMARK 620 4 HIS A 179 ND1 108.5 97.9 110.2 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 259 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLY A 159 O REMARK 620 2 GLY A 161 O 92.3 REMARK 620 3 VAL A 163 O 177.7 88.1 REMARK 620 4 GLU A 184 OE2 90.4 87.4 91.9 REMARK 620 5 ASP A 158 OD1 90.5 89.0 87.2 176.3 REMARK 620 6 ASP A 181 OD2 87.0 179.4 92.5 92.7 91.0 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 260 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 141 O REMARK 620 2 GLY A 173 O 168.6 REMARK 620 3 ASN A 175 O 103.9 87.5 REMARK 620 4 ASP A 177 OD1 84.1 95.9 95.8 REMARK 620 5 HOH A 306 O 86.0 94.7 82.4 169.2 REMARK 620 6 HOH A 312 O 87.2 81.4 167.6 91.0 92.8 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 261 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 107 OD2 REMARK 620 2 ASP A 182 O 147.7 REMARK 620 3 ASP A 182 OD1 87.2 74.8 REMARK 620 4 GLU A 184 O 75.8 83.2 105.2 REMARK 620 5 HOH A 313 O 95.6 104.4 175.1 79.4 REMARK 620 6 HOH A 332 O 127.0 80.1 89.0 154.4 86.2 REMARK 620 7 ASP A 107 OD1 49.7 155.1 93.2 121.5 85.6 77.9 REMARK 620 N 1 2 3 4 5 6 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: L04 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR THE INHIBITOR L-764,004, REMARK 800 DENOTED L04 256. REMARK 800 REMARK 800 SITE_IDENTIFIER: ZN1 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: LIGANDS OF THE CATALYTIC (ZN 257) ZINC ION. REMARK 800 REMARK 800 SITE_IDENTIFIER: ZN2 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: LIGANDS OF THE STRUCTURAL (ZN 258) ZINC ION. REMARK 800 REMARK 800 SITE_IDENTIFIER: CA1 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: LIGANDS OF THE CALCIUM ION CA 259. REMARK 800 REMARK 800 SITE_IDENTIFIER: CA2 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: LIGANDS OF THE CALCIUM ION CA 260. REMARK 800 REMARK 800 SITE_IDENTIFIER: CA3 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: LIGANDS OF THE CALCIUM ION CA 261. REMARK 800 REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 257 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 258 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 259 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 260 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 261 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE L04 A 256 DBREF 1HFS A 88 247 UNP P08254 MMP3_HUMAN 105 264 SEQRES 1 A 160 GLY ILE PRO LYS TRP ARG LYS THR HIS LEU THR TYR ARG SEQRES 2 A 160 ILE VAL ASN TYR THR PRO ASP LEU PRO LYS ASP ALA VAL SEQRES 3 A 160 ASP SER ALA VAL GLU LYS ALA LEU LYS VAL TRP GLU GLU SEQRES 4 A 160 VAL THR PRO LEU THR PHE SER ARG LEU TYR GLU GLY GLU SEQRES 5 A 160 ALA ASP ILE MET ILE SER PHE ALA VAL ARG GLU HIS GLY SEQRES 6 A 160 ASP PHE TYR PRO PHE ASP GLY PRO GLY ASN VAL LEU ALA SEQRES 7 A 160 HIS ALA TYR ALA PRO GLY PRO GLY ILE ASN GLY ASP ALA SEQRES 8 A 160 HIS PHE ASP ASP ASP GLU GLN TRP THR LYS ASP THR THR SEQRES 9 A 160 GLY THR ASN LEU PHE LEU VAL ALA ALA HIS GLU ILE GLY SEQRES 10 A 160 HIS SER LEU GLY LEU PHE HIS SER ALA ASN THR GLU ALA SEQRES 11 A 160 LEU MET TYR PRO LEU TYR HIS SER LEU THR ASP LEU THR SEQRES 12 A 160 ARG PHE ARG LEU SER GLN ASP ASP ILE ASN GLY ILE GLN SEQRES 13 A 160 SER LEU TYR GLY HET ZN A 257 1 HET ZN A 258 1 HET CA A 259 1 HET CA A 260 1 HET CA A 261 1 HET L04 A 256 52 HETNAM ZN ZINC ION HETNAM CA CALCIUM ION HETNAM L04 6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1- HETNAM 2 L04 PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3- HETNAM 3 L04 DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID HETSYN L04 L004 FORMUL 2 ZN 2(ZN 2+) FORMUL 4 CA 3(CA 2+) FORMUL 7 L04 C43 H48 F N3 O5 FORMUL 8 HOH *143(H2 O) HELIX 1 A LYS A 110 GLU A 126 1 17 HELIX 2 B LEU A 195 LEU A 207 1 13 HELIX 3 C GLN A 236 TYR A 246 1 11 SHEET 1 1 5 THR A 131 ARG A 134 0 SHEET 2 1 5 HIS A 96 ILE A 101 1 O LEU A 97 N THR A 131 SHEET 3 1 5 ILE A 142 ALA A 147 1 O ILE A 142 N ARG A 100 SHEET 4 1 5 ASP A 177 ASP A 181 1 O ALA A 178 N SER A 145 SHEET 5 1 5 ALA A 165 TYR A 168 -1 O HIS A 166 N HIS A 179 LINK O5 L04 A 256 ZN ZN A 257 1555 1555 1.84 LINK ZN ZN A 257 NE2 HIS A 201 1555 1555 1.90 LINK ZN ZN A 257 NE2 HIS A 205 1555 1555 1.93 LINK ZN ZN A 257 NE2 HIS A 211 1555 1555 1.85 LINK ZN ZN A 258 NE2 HIS A 151 1555 1555 1.83 LINK ZN ZN A 258 OD2 ASP A 153 1555 1555 2.00 LINK ZN ZN A 258 NE2 HIS A 166 1555 1555 1.78 LINK ZN ZN A 258 ND1 HIS A 179 1555 1555 2.01 LINK CA CA A 259 O GLY A 159 1555 1555 2.29 LINK CA CA A 259 O GLY A 161 1555 1555 2.34 LINK CA CA A 259 O VAL A 163 1555 1555 2.34 LINK CA CA A 259 OE2 GLU A 184 1555 1555 2.37 LINK CA CA A 259 OD1 ASP A 158 1555 1555 2.49 LINK CA CA A 259 OD2 ASP A 181 1555 1555 2.45 LINK CA CA A 260 O ASP A 141 1555 1555 2.38 LINK CA CA A 260 O GLY A 173 1555 1555 2.36 LINK CA CA A 260 O ASN A 175 1555 1555 2.38 LINK CA CA A 260 OD1 ASP A 177 1555 1555 2.57 LINK CA CA A 260 O HOH A 306 1555 1555 2.29 LINK CA CA A 260 O HOH A 312 1555 1555 2.28 LINK CA CA A 261 OD2 ASP A 107 1555 1555 2.48 LINK CA CA A 261 O ASP A 182 1555 1555 2.29 LINK CA CA A 261 OD1 ASP A 182 1555 1555 2.60 LINK CA CA A 261 O GLU A 184 1555 1555 2.45 LINK CA CA A 261 O HOH A 313 1555 1555 2.33 LINK CA CA A 261 O HOH A 332 1555 1555 2.32 LINK ZN ZN A 257 O4 L04 A 256 1555 1555 2.62 LINK CA CA A 261 OD1 ASP A 107 1555 1555 2.69 SITE *** L04 22 TYR A 155 ASN A 162 VAL A 163 LEU A 164 SITE *** L04 22 ALA A 165 HIS A 166 TYR A 168 LEU A 197 SITE *** L04 22 VAL A 198 HIS A 201 GLU A 202 HIS A 205 SITE *** L04 22 HIS A 211 ALA A 217 LEU A 218 TYR A 220 SITE *** L04 22 PRO A 221 LEU A 222 TYR A 223 HIS A 224 SITE *** L04 22 LEU A 226 ZN A 257 SITE *** ZN1 4 HIS A 201 HIS A 205 HIS A 211 L04 A 256 SITE *** ZN2 4 HIS A 151 ASP A 153 HIS A 166 HIS A 179 SITE *** CA1 6 ASP A 158 GLY A 159 GLY A 161 VAL A 163 SITE *** CA1 6 ASP A 181 GLU A 184 SITE *** CA2 6 ASP A 141 GLY A 173 ASN A 175 ASP A 177 SITE *** CA2 6 HOH A 306 HOH A 312 SITE *** CA3 5 ASP A 107 ASP A 182 GLU A 184 HOH A 313 SITE *** CA3 5 HOH A 332 SITE *** AC1 4 HIS A 201 HIS A 205 HIS A 211 L04 A 256 SITE *** AC2 4 HIS A 151 ASP A 153 HIS A 166 HIS A 179 SITE *** AC3 6 ASP A 158 GLY A 159 GLY A 161 VAL A 163 SITE *** AC3 6 ASP A 181 GLU A 184 SITE *** AC4 6 ASP A 141 GLY A 173 ASN A 175 ASP A 177 SITE *** AC4 6 HOH A 306 HOH A 312 SITE *** AC5 5 ASP A 107 ASP A 182 GLU A 184 HOH A 313 SITE *** AC5 5 HOH A 332 SITE *** AC6 24 TYR A 155 ASN A 162 VAL A 163 LEU A 164 SITE *** AC6 24 ALA A 165 HIS A 166 ALA A 167 TYR A 168 SITE *** AC6 24 HIS A 201 GLU A 202 HIS A 205 HIS A 211 SITE *** AC6 24 LEU A 218 TYR A 220 PRO A 221 LEU A 222 SITE *** AC6 24 TYR A 223 HIS A 224 LEU A 226 ZN A 257 SITE *** AC6 24 HOH A 301 HOH A 307 HOH A 323 HOH A 329 CRYST1 84.140 85.350 55.260 90.00 90.00 90.00 C 2 2 21 8 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 0.011885 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011716 0.000000 0.00000 SCALE3 0.000000 0.000000 0.018096 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 151 HIS HE2 : A 151 HIS NE2 : A 258 ZNZN :(H bumps) USER MOD NoAdj-H: A 166 HIS HE2 : A 166 HIS NE2 : A 258 ZNZN :(H bumps) USER MOD NoAdj-H: A 179 HIS HD1 : A 179 HIS ND1 : A 258 ZNZN :(H bumps) USER MOD NoAdj-H: A 201 HIS HE2 : A 201 HIS NE2 : A 257 ZNZN :(H bumps) USER MOD NoAdj-H: A 205 HIS HE2 : A 205 HIS NE2 : A 257 ZNZN :(H bumps) USER MOD NoAdj-H: A 211 HIS HE2 : A 211 HIS NE2 : A 257 ZNZN :(H bumps) USER MOD Set 1.1: A 236 GLN : amide:sc= 0.0583 K(o=0.34,f=-0.24) USER MOD Set 1.2: A 240 ASN : amide:sc= 0.284 K(o=0.34,f=-1.1) USER MOD Set 2.1: A 223 TYR OH : rot -140:sc= 0.317 USER MOD Set 2.2: A 225 SER OG : rot 180:sc= 0.0841 USER MOD Set 3.1: A 96 HIS : no HE2:sc= 0.984 K(o=2.4,f=-6.3!) USER MOD Set 3.2: A 133 SER OG : rot 104:sc= 1.43 USER MOD Set 4.1: A 104 TYR OH : rot -176:sc= 1.3 USER MOD Set 4.2: A 110 LYS NZ :NH3+ 142:sc=5.05e-05 (180deg=-0.0102) USER MOD Single : A 91 LYS NZ :NH3+ -118:sc= 0.929 (180deg=-0.186) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= 0.62 (180deg=0.49) USER MOD Single : A 95 THR OG1 : rot 111:sc= 0.779 USER MOD Single : A 98 THR OG1 : rot -142:sc= 1.42 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0.974 K(o=0.97,f=-5.9!) USER MOD Single : A 105 THR OG1 : rot 95:sc= 1.31 USER MOD Single : A 115 SER OG : rot 180:sc= -0.121 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ -108:sc= 0.145 (180deg=0) USER MOD Single : A 128 THR OG1 : rot -75:sc= 0.783 USER MOD Single : A 131 THR OG1 : rot -127:sc= 1.42 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 MET CE :methyl 171:sc= 0 (180deg=-0.00897) USER MOD Single : A 145 SER OG : rot 15:sc= 1.91 USER MOD Single : A 155 TYR OH : rot 180:sc= 1.11 USER MOD Single : A 162 ASN : amide:sc= 0.646 X(o=0.65,f=0.81) USER MOD Single : A 168 TYR OH : rot 6:sc= 0.96 USER MOD Single : A 175 ASN : amide:sc= 0.0371 X(o=0.037,f=0) USER MOD Single : A 185 GLN : amide:sc= 0.912 K(o=0.91,f=-0.93) USER MOD Single : A 187 THR OG1 : rot -159:sc= 1.29 USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0.00749 USER MOD Single : A 191 THR OG1 : rot -47:sc= 0.987 USER MOD Single : A 193 THR OG1 : rot -123:sc= 1.12 USER MOD Single : A 194 ASN : amide:sc= 0.804 K(o=0.8,f=-5.8!) USER MOD Single : A 206 SER OG : rot -107:sc= 0.216 USER MOD Single : A 212 SER OG : rot 180:sc= 0.0682 USER MOD Single : A 214 ASN : amide:sc= 0.127 K(o=0.13,f=-5.7!) USER MOD Single : A 215 THR OG1 : rot 180:sc= 0 USER MOD Single : A 219 MET CE :methyl -179:sc= 0 (180deg=-7.66e-05) USER MOD Single : A 220 TYR OH : rot 180:sc= 0.906 USER MOD Single : A 224 HIS :FLIP no HE2:sc= 0.689 F(o=-0.71!,f=0.69) USER MOD Single : A 227 THR OG1 : rot 180:sc= 0.00225 USER MOD Single : A 230 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 235 SER OG : rot -66:sc= 0.512 USER MOD Single : A 243 GLN : amide:sc= 1.42 K(o=1.4,f=0.057) USER MOD Single : A 244 SER OG : rot -46:sc= 0.917 USER MOD Single : A 246 TYR OH : rot 168:sc= 0.954 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 88 15.495 46.008 36.563 1.00 56.81 N ATOM 2 CA GLY A 88 16.492 45.439 35.612 1.00 56.53 C ATOM 3 C GLY A 88 16.715 43.966 35.896 1.00 56.46 C ATOM 4 O GLY A 88 15.783 43.173 35.757 1.00 57.13 O ATOM 0 HA2 GLY A 88 16.181 45.555 34.701 1.00 56.53 H new ATOM 0 HA3 GLY A 88 17.331 45.920 35.688 1.00 56.53 H new ATOM 5 N ILE A 89 17.928 43.620 36.336 1.00 54.84 N ATOM 6 CA ILE A 89 18.329 42.243 36.670 1.00 52.57 C ATOM 7 C ILE A 89 17.791 41.148 35.728 1.00 49.16 C ATOM 8 O ILE A 89 16.725 40.568 35.958 1.00 48.41 O ATOM 9 CB ILE A 89 18.042 41.900 38.187 1.00 53.57 C ATOM 10 CG1 ILE A 89 18.520 40.482 38.524 1.00 54.74 C ATOM 11 CG2 ILE A 89 16.563 42.064 38.532 1.00 54.96 C ATOM 12 CD1 ILE A 89 18.187 40.035 39.947 1.00 55.47 C ATOM 0 H ILE A 89 18.559 44.193 36.452 1.00 54.84 H new ATOM 0 HA ILE A 89 19.288 42.234 36.525 1.00 52.57 H new ATOM 0 HB ILE A 89 18.542 42.532 38.727 1.00 53.57 H new ATOM 0 HG12 ILE A 89 18.121 39.859 37.897 1.00 54.74 H new ATOM 0 HG13 ILE A 89 19.481 40.436 38.397 1.00 54.74 H new ATOM 0 HG21 ILE A 89 16.423 41.846 39.467 1.00 54.96 H new ATOM 0 HG22 ILE A 89 16.292 42.981 38.370 1.00 54.96 H new ATOM 0 HG23 ILE A 89 16.034 41.469 37.979 1.00 54.96 H new ATOM 0 HD11 ILE A 89 18.517 39.134 40.089 1.00 55.47 H new ATOM 0 HD12 ILE A 89 18.607 40.636 40.582 1.00 55.47 H new ATOM 0 HD13 ILE A 89 17.226 40.050 40.075 1.00 55.47 H new ATOM 13 N PRO A 90 18.534 40.862 34.642 1.00 46.75 N ATOM 14 CA PRO A 90 18.146 39.843 33.658 1.00 43.51 C ATOM 15 C PRO A 90 18.462 38.430 34.153 1.00 39.57 C ATOM 16 O PRO A 90 19.626 38.046 34.262 1.00 38.36 O ATOM 17 CB PRO A 90 18.995 40.216 32.444 1.00 44.67 C ATOM 18 CG PRO A 90 20.282 40.664 33.085 1.00 45.45 C ATOM 19 CD PRO A 90 19.799 41.518 34.252 1.00 46.57 C ATOM 0 HA PRO A 90 17.194 39.830 33.474 1.00 43.51 H new ATOM 0 HB2 PRO A 90 19.129 39.461 31.850 1.00 44.67 H new ATOM 0 HB3 PRO A 90 18.587 40.922 31.919 1.00 44.67 H new ATOM 0 HG2 PRO A 90 20.815 39.912 33.386 1.00 45.45 H new ATOM 0 HG3 PRO A 90 20.832 41.173 32.470 1.00 45.45 H new ATOM 0 HD2 PRO A 90 20.439 41.526 34.981 1.00 46.57 H new ATOM 0 HD3 PRO A 90 19.659 42.441 33.988 1.00 46.57 H new ATOM 20 N LYS A 91 17.425 37.671 34.483 1.00 35.85 N ATOM 21 CA LYS A 91 17.620 36.310 34.957 1.00 32.22 C ATOM 22 C LYS A 91 16.420 35.430 34.634 1.00 28.80 C ATOM 23 O LYS A 91 15.331 35.928 34.340 1.00 27.60 O ATOM 24 CB LYS A 91 17.917 36.288 36.466 1.00 33.40 C ATOM 25 CG LYS A 91 16.764 36.679 37.383 1.00 35.49 C ATOM 26 CD LYS A 91 17.120 36.359 38.829 1.00 37.42 C ATOM 27 CE LYS A 91 15.919 36.440 39.751 1.00 39.99 C ATOM 28 NZ LYS A 91 16.248 35.901 41.106 1.00 41.25 N ATOM 0 H LYS A 91 16.604 37.924 34.440 1.00 35.85 H new ATOM 0 HA LYS A 91 18.389 35.948 34.490 1.00 32.22 H new ATOM 0 HB2 LYS A 91 18.209 35.395 36.707 1.00 33.40 H new ATOM 0 HB3 LYS A 91 18.661 36.886 36.639 1.00 33.40 H new ATOM 0 HG2 LYS A 91 16.573 37.626 37.290 1.00 35.49 H new ATOM 0 HG3 LYS A 91 15.960 36.201 37.126 1.00 35.49 H new ATOM 0 HD2 LYS A 91 17.501 35.468 38.876 1.00 37.42 H new ATOM 0 HD3 LYS A 91 17.802 36.976 39.136 1.00 37.42 H new ATOM 0 HE2 LYS A 91 15.627 37.362 39.828 1.00 39.99 H new ATOM 0 HE3 LYS A 91 15.180 35.940 39.371 1.00 39.99 H new ATOM 0 HZ1 LYS A 91 15.734 35.195 41.278 1.00 41.25 H new ATOM 0 HZ2 LYS A 91 17.104 35.657 41.129 1.00 41.25 H new ATOM 0 HZ3 LYS A 91 16.103 36.530 41.719 1.00 41.25 H new ATOM 29 N TRP A 92 16.645 34.122 34.617 1.00 24.51 N ATOM 30 CA TRP A 92 15.583 33.169 34.338 1.00 23.22 C ATOM 31 C TRP A 92 14.604 33.171 35.506 1.00 24.38 C ATOM 32 O TRP A 92 15.016 33.254 36.666 1.00 23.08 O ATOM 33 CB TRP A 92 16.165 31.767 34.148 1.00 19.80 C ATOM 34 CG TRP A 92 17.052 31.634 32.939 1.00 17.06 C ATOM 35 CD1 TRP A 92 18.419 31.662 32.915 1.00 15.30 C ATOM 36 CD2 TRP A 92 16.632 31.438 31.582 1.00 15.55 C ATOM 37 NE1 TRP A 92 18.873 31.493 31.631 1.00 15.30 N ATOM 38 CE2 TRP A 92 17.798 31.354 30.791 1.00 14.66 C ATOM 39 CE3 TRP A 92 15.380 31.323 30.955 1.00 13.91 C ATOM 40 CZ2 TRP A 92 17.756 31.164 29.407 1.00 14.97 C ATOM 41 CZ3 TRP A 92 15.336 31.133 29.578 1.00 13.18 C ATOM 42 CH2 TRP A 92 16.518 31.056 28.820 1.00 14.44 C ATOM 0 H TRP A 92 17.413 33.765 34.766 1.00 24.51 H new ATOM 0 HA TRP A 92 15.125 33.423 33.522 1.00 23.22 H new ATOM 0 HB2 TRP A 92 16.673 31.527 34.939 1.00 19.80 H new ATOM 0 HB3 TRP A 92 15.436 31.131 34.075 1.00 19.80 H new ATOM 0 HD1 TRP A 92 18.962 31.779 33.661 1.00 15.30 H new ATOM 0 HE1 TRP A 92 19.699 31.477 31.392 1.00 15.30 H new ATOM 0 HE3 TRP A 92 14.595 31.373 31.452 1.00 13.91 H new ATOM 0 HZ2 TRP A 92 18.536 31.113 28.903 1.00 14.97 H new ATOM 0 HZ3 TRP A 92 14.513 31.056 29.152 1.00 13.18 H new ATOM 0 HH2 TRP A 92 16.461 30.929 27.900 1.00 14.44 H new ATOM 43 N ARG A 93 13.312 33.105 35.197 1.00 27.06 N ATOM 44 CA ARG A 93 12.276 33.092 36.230 1.00 31.08 C ATOM 45 C ARG A 93 12.052 31.678 36.778 1.00 29.90 C ATOM 46 O ARG A 93 11.153 31.447 37.589 1.00 32.04 O ATOM 47 CB ARG A 93 10.955 33.653 35.685 1.00 35.11 C ATOM 48 CG ARG A 93 11.046 35.050 35.079 1.00 42.79 C ATOM 49 CD ARG A 93 9.650 35.630 34.865 1.00 49.66 C ATOM 50 NE ARG A 93 9.606 36.679 33.845 1.00 55.79 N ATOM 51 CZ ARG A 93 9.913 37.961 34.048 1.00 58.65 C ATOM 52 NH1 ARG A 93 10.301 38.393 35.245 1.00 59.99 N ATOM 53 NH2 ARG A 93 9.791 38.828 33.049 1.00 60.58 N ATOM 0 H ARG A 93 13.012 33.067 34.392 1.00 27.06 H new ATOM 0 HA ARG A 93 12.584 33.657 36.956 1.00 31.08 H new ATOM 0 HB2 ARG A 93 10.615 33.044 35.010 1.00 35.11 H new ATOM 0 HB3 ARG A 93 10.305 33.670 36.405 1.00 35.11 H new ATOM 0 HG2 ARG A 93 11.557 35.630 35.665 1.00 42.79 H new ATOM 0 HG3 ARG A 93 11.520 35.012 34.233 1.00 42.79 H new ATOM 0 HD2 ARG A 93 9.046 34.915 34.610 1.00 49.66 H new ATOM 0 HD3 ARG A 93 9.325 35.991 35.705 1.00 49.66 H new ATOM 0 HE ARG A 93 9.363 36.451 33.052 1.00 55.79 H new ATOM 0 HH11 ARG A 93 10.357 37.843 35.903 1.00 59.99 H new ATOM 0 HH12 ARG A 93 10.496 39.223 35.360 1.00 59.99 H new ATOM 0 HH21 ARG A 93 9.516 38.561 32.279 1.00 60.58 H new ATOM 0 HH22 ARG A 93 9.987 39.656 33.172 1.00 60.58 H new ATOM 54 N LYS A 94 12.861 30.733 36.315 1.00 28.12 N ATOM 55 CA LYS A 94 12.763 29.347 36.752 1.00 27.31 C ATOM 56 C LYS A 94 14.165 28.837 37.043 1.00 26.41 C ATOM 57 O LYS A 94 15.152 29.449 36.621 1.00 25.82 O ATOM 58 CB LYS A 94 12.095 28.489 35.673 1.00 28.14 C ATOM 59 CG LYS A 94 12.775 28.557 34.320 1.00 28.87 C ATOM 60 CD LYS A 94 11.973 27.818 33.273 1.00 31.06 C ATOM 61 CE LYS A 94 12.529 28.071 31.888 1.00 30.47 C ATOM 62 NZ LYS A 94 11.711 27.391 30.848 1.00 32.33 N ATOM 0 H LYS A 94 13.482 30.877 35.738 1.00 28.12 H new ATOM 0 HA LYS A 94 12.218 29.292 37.552 1.00 27.31 H new ATOM 0 HB2 LYS A 94 12.080 27.566 35.971 1.00 28.14 H new ATOM 0 HB3 LYS A 94 11.172 28.771 35.575 1.00 28.14 H new ATOM 0 HG2 LYS A 94 12.883 29.484 34.055 1.00 28.87 H new ATOM 0 HG3 LYS A 94 13.664 28.174 34.381 1.00 28.87 H new ATOM 0 HD2 LYS A 94 11.986 26.867 33.462 1.00 31.06 H new ATOM 0 HD3 LYS A 94 11.046 28.102 33.310 1.00 31.06 H new ATOM 0 HE2 LYS A 94 12.550 29.025 31.714 1.00 30.47 H new ATOM 0 HE3 LYS A 94 13.445 27.754 31.841 1.00 30.47 H new ATOM 0 HZ1 LYS A 94 12.164 27.367 30.082 1.00 32.33 H new ATOM 0 HZ2 LYS A 94 11.528 26.560 31.110 1.00 32.33 H new ATOM 0 HZ3 LYS A 94 10.951 27.838 30.728 1.00 32.33 H new ATOM 63 N THR A 95 14.253 27.726 37.766 1.00 23.62 N ATOM 64 CA THR A 95 15.544 27.160 38.122 1.00 22.79 C ATOM 65 C THR A 95 15.848 25.837 37.422 1.00 21.66 C ATOM 66 O THR A 95 16.936 25.281 37.573 1.00 22.11 O ATOM 67 CB THR A 95 15.687 27.034 39.656 1.00 22.55 C ATOM 68 OG1 THR A 95 14.514 26.419 40.204 1.00 23.07 O ATOM 69 CG2 THR A 95 15.866 28.409 40.281 1.00 22.72 C ATOM 0 H THR A 95 13.575 27.286 38.060 1.00 23.62 H new ATOM 0 HA THR A 95 16.211 27.785 37.798 1.00 22.79 H new ATOM 0 HB THR A 95 16.465 26.488 39.851 1.00 22.55 H new ATOM 0 HG1 THR A 95 14.705 25.651 40.485 1.00 23.07 H new ATOM 0 HG21 THR A 95 15.955 28.318 41.243 1.00 22.72 H new ATOM 0 HG22 THR A 95 16.664 28.827 39.921 1.00 22.72 H new ATOM 0 HG23 THR A 95 15.094 28.960 40.078 1.00 22.72 H new ATOM 70 N HIS A 96 14.880 25.328 36.667 1.00 20.36 N ATOM 71 CA HIS A 96 15.073 24.092 35.919 1.00 21.72 C ATOM 72 C HIS A 96 15.138 24.509 34.452 1.00 20.14 C ATOM 73 O HIS A 96 14.135 24.940 33.874 1.00 18.91 O ATOM 74 CB HIS A 96 13.917 23.113 36.152 1.00 25.77 C ATOM 75 CG HIS A 96 14.125 21.769 35.519 1.00 32.47 C ATOM 76 ND1 HIS A 96 13.571 20.613 36.028 1.00 36.34 N ATOM 77 CD2 HIS A 96 14.816 21.396 34.414 1.00 34.29 C ATOM 78 CE1 HIS A 96 13.908 19.590 35.265 1.00 38.01 C ATOM 79 NE2 HIS A 96 14.665 20.038 34.278 1.00 36.41 N ATOM 0 H HIS A 96 14.103 25.684 36.575 1.00 20.36 H new ATOM 0 HA HIS A 96 15.879 23.632 36.201 1.00 21.72 H new ATOM 0 HB2 HIS A 96 13.791 22.996 37.107 1.00 25.77 H new ATOM 0 HB3 HIS A 96 13.100 23.502 35.804 1.00 25.77 H new ATOM 0 HD1 HIS A 96 13.082 20.566 36.734 1.00 36.34 H new ATOM 0 HD2 HIS A 96 15.302 21.956 33.852 1.00 34.29 H new ATOM 0 HE1 HIS A 96 13.656 18.705 35.399 1.00 38.01 H new ATOM 80 N LEU A 97 16.319 24.384 33.855 1.00 17.99 N ATOM 81 CA LEU A 97 16.514 24.784 32.469 1.00 16.84 C ATOM 82 C LEU A 97 16.826 23.613 31.556 1.00 14.60 C ATOM 83 O LEU A 97 17.385 22.606 31.983 1.00 15.60 O ATOM 84 CB LEU A 97 17.645 25.811 32.383 1.00 16.76 C ATOM 85 CG LEU A 97 17.480 27.085 33.214 1.00 18.41 C ATOM 86 CD1 LEU A 97 18.766 27.893 33.183 1.00 20.25 C ATOM 87 CD2 LEU A 97 16.314 27.899 32.684 1.00 18.89 C ATOM 0 H LEU A 97 17.022 24.069 34.238 1.00 17.99 H new ATOM 0 HA LEU A 97 15.678 25.171 32.166 1.00 16.84 H new ATOM 0 HB2 LEU A 97 18.469 25.377 32.654 1.00 16.76 H new ATOM 0 HB3 LEU A 97 17.751 26.067 31.454 1.00 16.76 H new ATOM 0 HG LEU A 97 17.292 26.847 34.135 1.00 18.41 H new ATOM 0 HD11 LEU A 97 18.655 28.699 33.711 1.00 20.25 H new ATOM 0 HD12 LEU A 97 19.490 27.363 33.551 1.00 20.25 H new ATOM 0 HD13 LEU A 97 18.975 28.134 32.267 1.00 20.25 H new ATOM 0 HD21 LEU A 97 16.214 28.705 33.214 1.00 18.89 H new ATOM 0 HD22 LEU A 97 16.481 28.140 31.759 1.00 18.89 H new ATOM 0 HD23 LEU A 97 15.501 27.373 32.739 1.00 18.89 H new ATOM 88 N THR A 98 16.419 23.734 30.301 1.00 14.13 N ATOM 89 CA THR A 98 16.688 22.699 29.322 1.00 13.95 C ATOM 90 C THR A 98 17.688 23.239 28.306 1.00 13.04 C ATOM 91 O THR A 98 17.770 24.451 28.079 1.00 12.64 O ATOM 92 CB THR A 98 15.407 22.236 28.595 1.00 12.83 C ATOM 93 OG1 THR A 98 14.784 23.347 27.940 1.00 14.14 O ATOM 94 CG2 THR A 98 14.428 21.611 29.584 1.00 15.03 C ATOM 0 H THR A 98 15.984 24.411 29.997 1.00 14.13 H new ATOM 0 HA THR A 98 17.049 21.927 29.786 1.00 13.95 H new ATOM 0 HB THR A 98 15.654 21.571 27.934 1.00 12.83 H new ATOM 0 HG1 THR A 98 13.949 23.279 28.006 1.00 14.14 H new ATOM 0 HG21 THR A 98 13.630 21.326 29.113 1.00 15.03 H new ATOM 0 HG22 THR A 98 14.843 20.845 30.010 1.00 15.03 H new ATOM 0 HG23 THR A 98 14.188 22.265 30.259 1.00 15.03 H new ATOM 95 N TYR A 99 18.471 22.346 27.726 1.00 12.72 N ATOM 96 CA TYR A 99 19.447 22.735 26.726 1.00 12.38 C ATOM 97 C TYR A 99 19.439 21.682 25.641 1.00 12.57 C ATOM 98 O TYR A 99 18.999 20.549 25.863 1.00 12.46 O ATOM 99 CB TYR A 99 20.849 22.855 27.330 1.00 10.41 C ATOM 100 CG TYR A 99 21.491 21.549 27.723 1.00 11.24 C ATOM 101 CD1 TYR A 99 21.160 20.920 28.925 1.00 12.87 C ATOM 102 CD2 TYR A 99 22.457 20.956 26.914 1.00 11.25 C ATOM 103 CE1 TYR A 99 21.780 19.735 29.312 1.00 14.41 C ATOM 104 CE2 TYR A 99 23.087 19.770 27.291 1.00 13.88 C ATOM 105 CZ TYR A 99 22.745 19.167 28.490 1.00 14.56 C ATOM 106 OH TYR A 99 23.374 18.007 28.874 1.00 18.65 O ATOM 0 H TYR A 99 18.453 21.504 27.899 1.00 12.72 H new ATOM 0 HA TYR A 99 19.214 23.605 26.366 1.00 12.38 H new ATOM 0 HB2 TYR A 99 21.424 23.302 26.690 1.00 10.41 H new ATOM 0 HB3 TYR A 99 20.800 23.424 28.114 1.00 10.41 H new ATOM 0 HD1 TYR A 99 20.514 21.299 29.477 1.00 12.87 H new ATOM 0 HD2 TYR A 99 22.686 21.358 26.107 1.00 11.25 H new ATOM 0 HE1 TYR A 99 21.550 19.327 30.115 1.00 14.41 H new ATOM 0 HE2 TYR A 99 23.732 19.387 26.741 1.00 13.88 H new ATOM 0 HH TYR A 99 23.928 17.780 28.285 1.00 18.65 H new ATOM 107 N ARG A 100 19.917 22.062 24.467 1.00 11.99 N ATOM 108 CA ARG A 100 19.979 21.148 23.343 1.00 12.33 C ATOM 109 C ARG A 100 21.195 21.486 22.499 1.00 11.67 C ATOM 110 O ARG A 100 21.457 22.657 22.223 1.00 11.88 O ATOM 111 CB ARG A 100 18.712 21.256 22.483 1.00 11.40 C ATOM 112 CG ARG A 100 18.745 20.363 21.254 1.00 11.51 C ATOM 113 CD ARG A 100 17.547 20.550 20.342 1.00 11.20 C ATOM 114 NE ARG A 100 17.767 19.840 19.083 1.00 12.29 N ATOM 115 CZ ARG A 100 17.259 20.197 17.908 1.00 12.11 C ATOM 116 NH1 ARG A 100 16.469 21.257 17.808 1.00 11.53 N ATOM 117 NH2 ARG A 100 17.614 19.541 16.813 1.00 13.52 N ATOM 0 H ARG A 100 20.213 22.852 24.301 1.00 11.99 H new ATOM 0 HA ARG A 100 20.045 20.240 23.678 1.00 12.33 H new ATOM 0 HB2 ARG A 100 17.941 21.024 23.023 1.00 11.40 H new ATOM 0 HB3 ARG A 100 18.596 22.177 22.203 1.00 11.40 H new ATOM 0 HG2 ARG A 100 19.556 20.543 20.753 1.00 11.51 H new ATOM 0 HG3 ARG A 100 18.786 19.436 21.537 1.00 11.51 H new ATOM 0 HD2 ARG A 100 16.745 20.217 20.775 1.00 11.20 H new ATOM 0 HD3 ARG A 100 17.405 21.494 20.170 1.00 11.20 H new ATOM 0 HE ARG A 100 18.263 19.138 19.104 1.00 12.29 H new ATOM 0 HH11 ARG A 100 16.281 21.721 18.507 1.00 11.53 H new ATOM 0 HH12 ARG A 100 16.145 21.481 17.044 1.00 11.53 H new ATOM 0 HH21 ARG A 100 18.171 18.888 16.865 1.00 13.52 H new ATOM 0 HH22 ARG A 100 17.288 19.769 16.051 1.00 13.52 H new ATOM 118 N ILE A 101 21.980 20.468 22.168 1.00 12.13 N ATOM 119 CA ILE A 101 23.144 20.656 21.313 1.00 12.78 C ATOM 120 C ILE A 101 22.568 20.421 19.912 1.00 12.48 C ATOM 121 O ILE A 101 22.353 19.282 19.487 1.00 12.58 O ATOM 122 CB ILE A 101 24.265 19.652 21.651 1.00 13.22 C ATOM 123 CG1 ILE A 101 24.683 19.824 23.116 1.00 13.36 C ATOM 124 CG2 ILE A 101 25.469 19.886 20.752 1.00 14.35 C ATOM 125 CD1 ILE A 101 25.807 18.910 23.561 1.00 13.27 C ATOM 0 H ILE A 101 21.855 19.658 22.429 1.00 12.13 H new ATOM 0 HA ILE A 101 23.562 21.526 21.413 1.00 12.78 H new ATOM 0 HB ILE A 101 23.934 18.752 21.508 1.00 13.22 H new ATOM 0 HG12 ILE A 101 24.955 20.744 23.257 1.00 13.36 H new ATOM 0 HG13 ILE A 101 23.911 19.667 23.681 1.00 13.36 H new ATOM 0 HG21 ILE A 101 26.167 19.250 20.973 1.00 14.35 H new ATOM 0 HG22 ILE A 101 25.208 19.770 19.825 1.00 14.35 H new ATOM 0 HG23 ILE A 101 25.801 20.788 20.884 1.00 14.35 H new ATOM 0 HD11 ILE A 101 26.012 19.079 24.494 1.00 13.27 H new ATOM 0 HD12 ILE A 101 25.535 17.985 23.453 1.00 13.27 H new ATOM 0 HD13 ILE A 101 26.595 19.080 23.022 1.00 13.27 H new ATOM 126 N VAL A 102 22.216 21.525 19.263 1.00 11.31 N ATOM 127 CA VAL A 102 21.596 21.535 17.947 1.00 11.63 C ATOM 128 C VAL A 102 22.433 20.888 16.849 1.00 12.06 C ATOM 129 O VAL A 102 21.893 20.260 15.942 1.00 12.94 O ATOM 130 CB VAL A 102 21.196 22.979 17.556 1.00 11.23 C ATOM 131 CG1 VAL A 102 20.475 23.007 16.217 1.00 10.85 C ATOM 132 CG2 VAL A 102 20.320 23.581 18.650 1.00 11.25 C ATOM 0 H VAL A 102 22.336 22.312 19.588 1.00 11.31 H new ATOM 0 HA VAL A 102 20.803 20.981 18.022 1.00 11.63 H new ATOM 0 HB VAL A 102 22.003 23.510 17.465 1.00 11.23 H new ATOM 0 HG11 VAL A 102 20.236 23.921 15.997 1.00 10.85 H new ATOM 0 HG12 VAL A 102 21.057 22.650 15.528 1.00 10.85 H new ATOM 0 HG13 VAL A 102 19.671 22.467 16.271 1.00 10.85 H new ATOM 0 HG21 VAL A 102 20.070 24.485 18.404 1.00 11.25 H new ATOM 0 HG22 VAL A 102 19.520 23.043 18.757 1.00 11.25 H new ATOM 0 HG23 VAL A 102 20.812 23.598 19.486 1.00 11.25 H new ATOM 133 N ASN A 103 23.746 21.052 16.922 1.00 12.46 N ATOM 134 CA ASN A 103 24.637 20.459 15.937 1.00 12.99 C ATOM 135 C ASN A 103 26.029 20.321 16.538 1.00 13.79 C ATOM 136 O ASN A 103 26.288 20.815 17.638 1.00 13.79 O ATOM 137 CB ASN A 103 24.661 21.280 14.637 1.00 13.44 C ATOM 138 CG ASN A 103 25.393 22.605 14.779 1.00 15.89 C ATOM 139 OD1 ASN A 103 25.282 23.292 15.787 1.00 16.65 O ATOM 140 ND2 ASN A 103 26.151 22.964 13.757 1.00 19.54 N ATOM 0 H ASN A 103 24.142 21.505 17.536 1.00 12.46 H new ATOM 0 HA ASN A 103 24.308 19.577 15.702 1.00 12.99 H new ATOM 0 HB2 ASN A 103 25.084 20.757 13.939 1.00 13.44 H new ATOM 0 HB3 ASN A 103 23.750 21.450 14.352 1.00 13.44 H new ATOM 0 HD21 ASN A 103 26.589 23.704 13.785 1.00 19.54 H new ATOM 0 HD22 ASN A 103 26.207 22.458 13.064 1.00 19.54 H new ATOM 141 N TYR A 104 26.919 19.652 15.815 1.00 14.39 N ATOM 142 CA TYR A 104 28.275 19.416 16.286 1.00 15.14 C ATOM 143 C TYR A 104 29.364 19.974 15.394 1.00 16.14 C ATOM 144 O TYR A 104 29.202 20.106 14.178 1.00 17.88 O ATOM 145 CB TYR A 104 28.526 17.911 16.428 1.00 15.57 C ATOM 146 CG TYR A 104 27.767 17.258 17.549 1.00 15.99 C ATOM 147 CD1 TYR A 104 26.480 16.772 17.350 1.00 16.24 C ATOM 148 CD2 TYR A 104 28.327 17.149 18.818 1.00 16.09 C ATOM 149 CE1 TYR A 104 25.768 16.198 18.388 1.00 17.87 C ATOM 150 CE2 TYR A 104 27.623 16.576 19.862 1.00 16.29 C ATOM 151 CZ TYR A 104 26.345 16.104 19.639 1.00 16.48 C ATOM 152 OH TYR A 104 25.639 15.536 20.668 1.00 19.09 O ATOM 0 H TYR A 104 26.753 19.323 15.038 1.00 14.39 H new ATOM 0 HA TYR A 104 28.326 19.883 17.135 1.00 15.14 H new ATOM 0 HB2 TYR A 104 28.289 17.475 15.595 1.00 15.57 H new ATOM 0 HB3 TYR A 104 29.475 17.764 16.566 1.00 15.57 H new ATOM 0 HD1 TYR A 104 26.092 16.834 16.507 1.00 16.24 H new ATOM 0 HD2 TYR A 104 29.188 17.466 18.967 1.00 16.09 H new ATOM 0 HE1 TYR A 104 24.907 15.878 18.244 1.00 17.87 H new ATOM 0 HE2 TYR A 104 28.007 16.509 20.706 1.00 16.29 H new ATOM 0 HH TYR A 104 26.084 15.592 21.378 1.00 19.09 H new ATOM 153 N THR A 105 30.492 20.273 16.020 1.00 16.19 N ATOM 154 CA THR A 105 31.663 20.761 15.312 1.00 16.18 C ATOM 155 C THR A 105 32.430 19.513 14.863 1.00 16.85 C ATOM 156 O THR A 105 32.447 18.509 15.572 1.00 18.57 O ATOM 157 CB THR A 105 32.576 21.597 16.243 1.00 14.02 C ATOM 158 OG1 THR A 105 33.833 21.832 15.600 1.00 14.27 O ATOM 159 CG2 THR A 105 32.829 20.880 17.564 1.00 13.68 C ATOM 0 H THR A 105 30.600 20.198 16.870 1.00 16.19 H new ATOM 0 HA THR A 105 31.399 21.329 14.572 1.00 16.18 H new ATOM 0 HB THR A 105 32.125 22.436 16.425 1.00 14.02 H new ATOM 0 HG1 THR A 105 33.813 22.574 15.207 1.00 14.27 H new ATOM 0 HG21 THR A 105 33.402 21.426 18.124 1.00 13.68 H new ATOM 0 HG22 THR A 105 31.985 20.728 18.017 1.00 13.68 H new ATOM 0 HG23 THR A 105 33.261 20.029 17.393 1.00 13.68 H new ATOM 160 N PRO A 106 33.026 19.535 13.659 1.00 17.40 N ATOM 161 CA PRO A 106 33.776 18.355 13.213 1.00 17.55 C ATOM 162 C PRO A 106 35.172 18.269 13.854 1.00 16.65 C ATOM 163 O PRO A 106 35.886 17.281 13.674 1.00 17.79 O ATOM 164 CB PRO A 106 33.870 18.573 11.703 1.00 17.64 C ATOM 165 CG PRO A 106 33.951 20.057 11.590 1.00 17.70 C ATOM 166 CD PRO A 106 32.873 20.502 12.557 1.00 17.88 C ATOM 0 HA PRO A 106 33.348 17.521 13.463 1.00 17.55 H new ATOM 0 HB2 PRO A 106 34.651 18.140 11.324 1.00 17.64 H new ATOM 0 HB3 PRO A 106 33.096 18.218 11.239 1.00 17.64 H new ATOM 0 HG2 PRO A 106 34.826 20.394 11.840 1.00 17.70 H new ATOM 0 HG3 PRO A 106 33.777 20.363 10.686 1.00 17.70 H new ATOM 0 HD2 PRO A 106 33.008 21.415 12.855 1.00 17.88 H new ATOM 0 HD3 PRO A 106 31.989 20.461 12.159 1.00 17.88 H new ATOM 167 N ASP A 107 35.537 19.286 14.629 1.00 14.49 N ATOM 168 CA ASP A 107 36.850 19.337 15.267 1.00 13.68 C ATOM 169 C ASP A 107 37.066 18.265 16.311 1.00 14.13 C ATOM 170 O ASP A 107 38.196 17.840 16.542 1.00 16.41 O ATOM 171 CB ASP A 107 37.069 20.674 15.973 1.00 13.59 C ATOM 172 CG ASP A 107 36.869 21.867 15.075 1.00 13.30 C ATOM 173 OD1 ASP A 107 36.693 21.717 13.851 1.00 15.00 O ATOM 174 OD2 ASP A 107 36.880 22.982 15.620 1.00 15.07 O ATOM 0 H ASP A 107 35.034 19.963 14.799 1.00 14.49 H new ATOM 0 HA ASP A 107 37.475 19.203 14.537 1.00 13.68 H new ATOM 0 HB2 ASP A 107 36.460 20.738 16.725 1.00 13.59 H new ATOM 0 HB3 ASP A 107 37.969 20.697 16.334 1.00 13.59 H new ATOM 175 N LEU A 108 35.992 17.884 16.987 1.00 15.32 N ATOM 176 CA LEU A 108 36.053 16.895 18.058 1.00 17.20 C ATOM 177 C LEU A 108 35.012 15.798 17.885 1.00 18.22 C ATOM 178 O LEU A 108 33.989 16.000 17.227 1.00 18.76 O ATOM 179 CB LEU A 108 35.776 17.587 19.394 1.00 16.88 C ATOM 180 CG LEU A 108 36.753 18.629 19.920 1.00 18.44 C ATOM 181 CD1 LEU A 108 36.077 19.465 20.994 1.00 19.23 C ATOM 182 CD2 LEU A 108 37.986 17.933 20.467 1.00 19.43 C ATOM 0 H LEU A 108 35.203 18.192 16.839 1.00 15.32 H new ATOM 0 HA LEU A 108 36.937 16.496 18.033 1.00 17.20 H new ATOM 0 HB2 LEU A 108 34.907 18.013 19.325 1.00 16.88 H new ATOM 0 HB3 LEU A 108 35.700 16.894 20.069 1.00 16.88 H new ATOM 0 HG LEU A 108 37.026 19.220 19.201 1.00 18.44 H new ATOM 0 HD11 LEU A 108 36.701 20.128 21.328 1.00 19.23 H new ATOM 0 HD12 LEU A 108 35.302 19.911 20.617 1.00 19.23 H new ATOM 0 HD13 LEU A 108 35.796 18.890 21.723 1.00 19.23 H new ATOM 0 HD21 LEU A 108 38.610 18.596 20.803 1.00 19.43 H new ATOM 0 HD22 LEU A 108 37.729 17.337 21.188 1.00 19.43 H new ATOM 0 HD23 LEU A 108 38.409 17.420 19.760 1.00 19.43 H new ATOM 183 N PRO A 109 35.271 14.608 18.450 1.00 19.12 N ATOM 184 CA PRO A 109 34.276 13.543 18.312 1.00 19.80 C ATOM 185 C PRO A 109 33.048 13.916 19.142 1.00 20.45 C ATOM 186 O PRO A 109 33.155 14.654 20.125 1.00 18.47 O ATOM 187 CB PRO A 109 35.002 12.319 18.875 1.00 20.50 C ATOM 188 CG PRO A 109 35.987 12.902 19.834 1.00 21.09 C ATOM 189 CD PRO A 109 36.498 14.102 19.086 1.00 20.38 C ATOM 0 HA PRO A 109 33.961 13.389 17.408 1.00 19.80 H new ATOM 0 HB2 PRO A 109 34.388 11.713 19.319 1.00 20.50 H new ATOM 0 HB3 PRO A 109 35.443 11.813 18.175 1.00 20.50 H new ATOM 0 HG2 PRO A 109 35.570 13.151 20.674 1.00 21.09 H new ATOM 0 HG3 PRO A 109 36.699 12.278 20.045 1.00 21.09 H new ATOM 0 HD2 PRO A 109 36.897 14.758 19.679 1.00 20.38 H new ATOM 0 HD3 PRO A 109 37.174 13.862 18.433 1.00 20.38 H new ATOM 190 N LYS A 110 31.890 13.418 18.730 1.00 22.16 N ATOM 191 CA LYS A 110 30.621 13.687 19.400 1.00 25.04 C ATOM 192 C LYS A 110 30.687 13.597 20.923 1.00 25.39 C ATOM 193 O LYS A 110 30.341 14.552 21.625 1.00 24.60 O ATOM 194 CB LYS A 110 29.541 12.736 18.860 1.00 27.84 C ATOM 195 CG LYS A 110 28.292 12.616 19.727 1.00 31.86 C ATOM 196 CD LYS A 110 27.351 11.543 19.200 1.00 36.11 C ATOM 197 CE LYS A 110 26.330 11.128 20.252 1.00 38.05 C ATOM 198 NZ LYS A 110 25.469 12.257 20.700 1.00 39.46 N ATOM 0 H LYS A 110 31.816 12.906 18.043 1.00 22.16 H new ATOM 0 HA LYS A 110 30.397 14.609 19.200 1.00 25.04 H new ATOM 0 HB2 LYS A 110 29.277 13.037 17.977 1.00 27.84 H new ATOM 0 HB3 LYS A 110 29.930 11.854 18.754 1.00 27.84 H new ATOM 0 HG2 LYS A 110 28.548 12.405 20.638 1.00 31.86 H new ATOM 0 HG3 LYS A 110 27.831 13.469 19.752 1.00 31.86 H new ATOM 0 HD2 LYS A 110 26.890 11.874 18.413 1.00 36.11 H new ATOM 0 HD3 LYS A 110 27.865 10.768 18.923 1.00 36.11 H new ATOM 0 HE2 LYS A 110 25.770 10.423 19.892 1.00 38.05 H new ATOM 0 HE3 LYS A 110 26.795 10.757 21.019 1.00 38.05 H new ATOM 0 HZ1 LYS A 110 24.638 11.965 20.828 1.00 39.46 H new ATOM 0 HZ2 LYS A 110 25.787 12.589 21.462 1.00 39.46 H new ATOM 0 HZ3 LYS A 110 25.467 12.894 20.078 1.00 39.46 H new ATOM 199 N ASP A 111 31.147 12.460 21.435 1.00 25.80 N ATOM 200 CA ASP A 111 31.229 12.255 22.876 1.00 25.51 C ATOM 201 C ASP A 111 32.039 13.335 23.593 1.00 23.56 C ATOM 202 O ASP A 111 31.719 13.702 24.726 1.00 22.42 O ATOM 203 CB ASP A 111 31.773 10.855 23.197 1.00 31.25 C ATOM 204 CG ASP A 111 33.202 10.651 22.718 1.00 36.57 C ATOM 205 OD1 ASP A 111 33.434 10.690 21.489 1.00 40.21 O ATOM 206 OD2 ASP A 111 34.091 10.451 23.576 1.00 40.89 O ATOM 0 H ASP A 111 31.417 11.793 20.963 1.00 25.80 H new ATOM 0 HA ASP A 111 30.323 12.325 23.216 1.00 25.51 H new ATOM 0 HB2 ASP A 111 31.734 10.710 24.155 1.00 31.25 H new ATOM 0 HB3 ASP A 111 31.201 10.189 22.786 1.00 31.25 H new ATOM 207 N ALA A 112 33.051 13.877 22.919 1.00 20.73 N ATOM 208 CA ALA A 112 33.896 14.922 23.499 1.00 19.36 C ATOM 209 C ALA A 112 33.155 16.259 23.617 1.00 17.77 C ATOM 210 O ALA A 112 33.399 17.033 24.548 1.00 16.87 O ATOM 211 CB ALA A 112 35.166 15.089 22.682 1.00 19.62 C ATOM 0 H ALA A 112 33.267 13.652 22.118 1.00 20.73 H new ATOM 0 HA ALA A 112 34.131 14.641 24.397 1.00 19.36 H new ATOM 0 HB1 ALA A 112 35.716 15.784 23.077 1.00 19.62 H new ATOM 0 HB2 ALA A 112 35.658 14.253 22.674 1.00 19.62 H new ATOM 0 HB3 ALA A 112 34.936 15.337 21.773 1.00 19.62 H new ATOM 212 N VAL A 113 32.275 16.540 22.660 1.00 15.86 N ATOM 213 CA VAL A 113 31.485 17.767 22.681 1.00 14.33 C ATOM 214 C VAL A 113 30.460 17.652 23.813 1.00 13.79 C ATOM 215 O VAL A 113 30.289 18.581 24.603 1.00 14.01 O ATOM 216 CB VAL A 113 30.783 18.007 21.319 1.00 13.67 C ATOM 217 CG1 VAL A 113 29.807 19.179 21.407 1.00 13.70 C ATOM 218 CG2 VAL A 113 31.828 18.269 20.240 1.00 14.16 C ATOM 0 H VAL A 113 32.120 16.029 21.986 1.00 15.86 H new ATOM 0 HA VAL A 113 32.066 18.528 22.834 1.00 14.33 H new ATOM 0 HB VAL A 113 30.277 17.212 21.088 1.00 13.67 H new ATOM 0 HG11 VAL A 113 29.381 19.311 20.546 1.00 13.70 H new ATOM 0 HG12 VAL A 113 29.131 18.988 22.076 1.00 13.70 H new ATOM 0 HG13 VAL A 113 30.289 19.984 21.655 1.00 13.70 H new ATOM 0 HG21 VAL A 113 31.385 18.419 19.390 1.00 14.16 H new ATOM 0 HG22 VAL A 113 32.347 19.053 20.476 1.00 14.16 H new ATOM 0 HG23 VAL A 113 32.417 17.502 20.167 1.00 14.16 H new ATOM 219 N ASP A 114 29.820 16.490 23.921 1.00 15.18 N ATOM 220 CA ASP A 114 28.828 16.242 24.974 1.00 16.55 C ATOM 221 C ASP A 114 29.441 16.381 26.366 1.00 16.11 C ATOM 222 O ASP A 114 28.850 16.984 27.256 1.00 16.19 O ATOM 223 CB ASP A 114 28.225 14.838 24.833 1.00 16.48 C ATOM 224 CG ASP A 114 27.268 14.720 23.662 1.00 18.34 C ATOM 225 OD1 ASP A 114 27.056 15.718 22.941 1.00 20.16 O ATOM 226 OD2 ASP A 114 26.716 13.618 23.465 1.00 20.99 O ATOM 0 H ASP A 114 29.945 15.825 23.391 1.00 15.18 H new ATOM 0 HA ASP A 114 28.131 16.909 24.870 1.00 16.55 H new ATOM 0 HB2 ASP A 114 28.941 14.193 24.725 1.00 16.48 H new ATOM 0 HB3 ASP A 114 27.757 14.608 25.651 1.00 16.48 H new ATOM 227 N SER A 115 30.630 15.811 26.535 1.00 16.45 N ATOM 228 CA SER A 115 31.357 15.848 27.799 1.00 17.06 C ATOM 229 C SER A 115 31.727 17.282 28.187 1.00 16.69 C ATOM 230 O SER A 115 31.545 17.687 29.335 1.00 16.95 O ATOM 231 CB SER A 115 32.621 14.984 27.685 1.00 18.73 C ATOM 232 OG SER A 115 33.402 15.031 28.864 1.00 27.89 O ATOM 0 H SER A 115 31.042 15.387 25.911 1.00 16.45 H new ATOM 0 HA SER A 115 30.782 15.495 28.496 1.00 17.06 H new ATOM 0 HB2 SER A 115 32.369 14.066 27.501 1.00 18.73 H new ATOM 0 HB3 SER A 115 33.153 15.288 26.933 1.00 18.73 H new ATOM 0 HG SER A 115 34.083 14.548 28.769 1.00 27.89 H new ATOM 233 N ALA A 116 32.229 18.050 27.223 1.00 15.49 N ATOM 234 CA ALA A 116 32.625 19.437 27.460 1.00 16.16 C ATOM 235 C ALA A 116 31.441 20.292 27.898 1.00 15.61 C ATOM 236 O ALA A 116 31.546 21.064 28.854 1.00 15.77 O ATOM 237 CB ALA A 116 33.272 20.031 26.208 1.00 15.82 C ATOM 0 H ALA A 116 32.350 17.783 26.415 1.00 15.49 H new ATOM 0 HA ALA A 116 33.274 19.437 28.181 1.00 16.16 H new ATOM 0 HB1 ALA A 116 33.529 20.950 26.381 1.00 15.82 H new ATOM 0 HB2 ALA A 116 34.059 19.515 25.974 1.00 15.82 H new ATOM 0 HB3 ALA A 116 32.639 20.006 25.473 1.00 15.82 H new ATOM 238 N VAL A 117 30.318 20.152 27.196 1.00 15.10 N ATOM 239 CA VAL A 117 29.108 20.907 27.510 1.00 14.06 C ATOM 240 C VAL A 117 28.553 20.478 28.868 1.00 14.39 C ATOM 241 O VAL A 117 28.156 21.316 29.679 1.00 12.62 O ATOM 242 CB VAL A 117 28.035 20.738 26.402 1.00 14.64 C ATOM 243 CG1 VAL A 117 26.705 21.333 26.846 1.00 15.46 C ATOM 244 CG2 VAL A 117 28.500 21.415 25.117 1.00 14.40 C ATOM 0 H VAL A 117 30.237 19.618 26.527 1.00 15.10 H new ATOM 0 HA VAL A 117 29.342 21.847 27.552 1.00 14.06 H new ATOM 0 HB VAL A 117 27.911 19.790 26.238 1.00 14.64 H new ATOM 0 HG11 VAL A 117 26.048 21.218 26.142 1.00 15.46 H new ATOM 0 HG12 VAL A 117 26.400 20.882 27.649 1.00 15.46 H new ATOM 0 HG13 VAL A 117 26.819 22.278 27.030 1.00 15.46 H new ATOM 0 HG21 VAL A 117 27.824 21.305 24.430 1.00 14.40 H new ATOM 0 HG22 VAL A 117 28.642 22.360 25.282 1.00 14.40 H new ATOM 0 HG23 VAL A 117 29.331 21.011 24.820 1.00 14.40 H new ATOM 245 N GLU A 118 28.548 19.172 29.117 1.00 15.31 N ATOM 246 CA GLU A 118 28.063 18.637 30.380 1.00 18.12 C ATOM 247 C GLU A 118 28.893 19.182 31.540 1.00 16.14 C ATOM 248 O GLU A 118 28.340 19.642 32.539 1.00 16.01 O ATOM 249 CB GLU A 118 28.116 17.112 30.361 1.00 22.44 C ATOM 250 CG GLU A 118 27.727 16.465 31.679 1.00 33.80 C ATOM 251 CD GLU A 118 27.814 14.946 31.652 1.00 39.23 C ATOM 252 OE1 GLU A 118 28.386 14.381 30.688 1.00 42.11 O ATOM 253 OE2 GLU A 118 27.308 14.318 32.609 1.00 43.04 O ATOM 0 H GLU A 118 28.824 18.576 28.562 1.00 15.31 H new ATOM 0 HA GLU A 118 27.142 18.915 30.502 1.00 18.12 H new ATOM 0 HB2 GLU A 118 27.526 16.786 29.664 1.00 22.44 H new ATOM 0 HB3 GLU A 118 29.014 16.831 30.126 1.00 22.44 H new ATOM 0 HG2 GLU A 118 28.304 16.803 32.381 1.00 33.80 H new ATOM 0 HG3 GLU A 118 26.821 16.727 31.906 1.00 33.80 H new ATOM 254 N LYS A 119 30.214 19.159 31.386 1.00 15.71 N ATOM 255 CA LYS A 119 31.123 19.660 32.414 1.00 17.90 C ATOM 256 C LYS A 119 30.913 21.143 32.678 1.00 15.76 C ATOM 257 O LYS A 119 30.937 21.581 33.828 1.00 15.13 O ATOM 258 CB LYS A 119 32.583 19.428 32.022 1.00 21.72 C ATOM 259 CG LYS A 119 33.058 17.998 32.129 1.00 30.02 C ATOM 260 CD LYS A 119 34.506 17.885 31.674 1.00 36.78 C ATOM 261 CE LYS A 119 34.958 16.429 31.579 1.00 41.86 C ATOM 262 NZ LYS A 119 36.356 16.310 31.053 1.00 46.05 N ATOM 0 H LYS A 119 30.608 18.854 30.685 1.00 15.71 H new ATOM 0 HA LYS A 119 30.923 19.165 33.224 1.00 17.90 H new ATOM 0 HB2 LYS A 119 32.709 19.728 31.108 1.00 21.72 H new ATOM 0 HB3 LYS A 119 33.146 19.984 32.583 1.00 21.72 H new ATOM 0 HG2 LYS A 119 32.976 17.691 33.046 1.00 30.02 H new ATOM 0 HG3 LYS A 119 32.496 17.423 31.586 1.00 30.02 H new ATOM 0 HD2 LYS A 119 34.608 18.312 30.809 1.00 36.78 H new ATOM 0 HD3 LYS A 119 35.079 18.362 32.295 1.00 36.78 H new ATOM 0 HE2 LYS A 119 34.907 16.017 32.456 1.00 41.86 H new ATOM 0 HE3 LYS A 119 34.352 15.940 31.000 1.00 41.86 H new ATOM 0 HZ1 LYS A 119 36.586 15.451 31.011 1.00 46.05 H new ATOM 0 HZ2 LYS A 119 36.399 16.668 30.239 1.00 46.05 H new ATOM 0 HZ3 LYS A 119 36.915 16.740 31.596 1.00 46.05 H new ATOM 263 N ALA A 120 30.725 21.915 31.613 1.00 14.00 N ATOM 264 CA ALA A 120 30.513 23.352 31.736 1.00 13.79 C ATOM 265 C ALA A 120 29.246 23.652 32.540 1.00 14.83 C ATOM 266 O ALA A 120 29.227 24.573 33.360 1.00 14.98 O ATOM 267 CB ALA A 120 30.440 23.993 30.359 1.00 12.40 C ATOM 0 H ALA A 120 30.717 21.623 30.804 1.00 14.00 H new ATOM 0 HA ALA A 120 31.266 23.732 32.215 1.00 13.79 H new ATOM 0 HB1 ALA A 120 30.299 24.948 30.453 1.00 12.40 H new ATOM 0 HB2 ALA A 120 31.271 23.835 29.884 1.00 12.40 H new ATOM 0 HB3 ALA A 120 29.704 23.606 29.860 1.00 12.40 H new ATOM 268 N LEU A 121 28.199 22.857 32.324 1.00 14.33 N ATOM 269 CA LEU A 121 26.940 23.043 33.040 1.00 13.76 C ATOM 270 C LEU A 121 27.097 22.659 34.503 1.00 13.58 C ATOM 271 O LEU A 121 26.584 23.351 35.383 1.00 13.89 O ATOM 272 CB LEU A 121 25.816 22.219 32.399 1.00 14.18 C ATOM 273 CG LEU A 121 25.408 22.584 30.963 1.00 14.80 C ATOM 274 CD1 LEU A 121 24.462 21.533 30.428 1.00 15.23 C ATOM 275 CD2 LEU A 121 24.771 23.965 30.894 1.00 13.98 C ATOM 0 H LEU A 121 28.198 22.203 31.766 1.00 14.33 H new ATOM 0 HA LEU A 121 26.702 23.982 32.985 1.00 13.76 H new ATOM 0 HB2 LEU A 121 26.084 21.287 32.407 1.00 14.18 H new ATOM 0 HB3 LEU A 121 25.030 22.293 32.963 1.00 14.18 H new ATOM 0 HG LEU A 121 26.207 22.610 30.414 1.00 14.80 H new ATOM 0 HD11 LEU A 121 24.203 21.762 29.522 1.00 15.23 H new ATOM 0 HD12 LEU A 121 24.903 20.669 30.430 1.00 15.23 H new ATOM 0 HD13 LEU A 121 23.672 21.493 30.989 1.00 15.23 H new ATOM 0 HD21 LEU A 121 24.526 24.163 29.977 1.00 13.98 H new ATOM 0 HD22 LEU A 121 23.977 23.984 31.451 1.00 13.98 H new ATOM 0 HD23 LEU A 121 25.403 24.629 31.210 1.00 13.98 H new ATOM 276 N LYS A 122 27.828 21.577 34.761 1.00 14.21 N ATOM 277 CA LYS A 122 28.049 21.109 36.128 1.00 16.56 C ATOM 278 C LYS A 122 28.774 22.150 36.969 1.00 15.95 C ATOM 279 O LYS A 122 28.546 22.246 38.178 1.00 15.40 O ATOM 280 CB LYS A 122 28.821 19.787 36.142 1.00 20.17 C ATOM 281 CG LYS A 122 28.061 18.620 35.524 1.00 28.23 C ATOM 282 CD LYS A 122 26.677 18.465 36.147 1.00 33.93 C ATOM 283 CE LYS A 122 25.837 17.425 35.412 1.00 37.56 C ATOM 284 NZ LYS A 122 24.440 17.364 35.941 1.00 39.60 N ATOM 0 H LYS A 122 28.206 21.098 34.156 1.00 14.21 H new ATOM 0 HA LYS A 122 27.175 20.961 36.522 1.00 16.56 H new ATOM 0 HB2 LYS A 122 29.657 19.906 35.664 1.00 20.17 H new ATOM 0 HB3 LYS A 122 29.047 19.565 37.059 1.00 20.17 H new ATOM 0 HG2 LYS A 122 27.974 18.759 34.568 1.00 28.23 H new ATOM 0 HG3 LYS A 122 28.566 17.801 35.647 1.00 28.23 H new ATOM 0 HD2 LYS A 122 26.768 18.208 37.078 1.00 33.93 H new ATOM 0 HD3 LYS A 122 26.218 19.320 36.133 1.00 33.93 H new ATOM 0 HE2 LYS A 122 25.815 17.637 34.466 1.00 37.56 H new ATOM 0 HE3 LYS A 122 26.254 16.553 35.498 1.00 37.56 H new ATOM 0 HZ1 LYS A 122 24.330 16.611 36.403 1.00 39.60 H new ATOM 0 HZ2 LYS A 122 24.293 18.062 36.473 1.00 39.60 H new ATOM 0 HZ3 LYS A 122 23.864 17.382 35.262 1.00 39.60 H new ATOM 285 N VAL A 123 29.637 22.930 36.321 1.00 15.45 N ATOM 286 CA VAL A 123 30.395 23.991 36.983 1.00 15.03 C ATOM 287 C VAL A 123 29.430 24.943 37.694 1.00 14.29 C ATOM 288 O VAL A 123 29.651 25.317 38.850 1.00 14.33 O ATOM 289 CB VAL A 123 31.268 24.777 35.958 1.00 15.21 C ATOM 290 CG1 VAL A 123 31.714 26.104 36.532 1.00 18.40 C ATOM 291 CG2 VAL A 123 32.485 23.959 35.574 1.00 15.21 C ATOM 0 H VAL A 123 29.800 22.858 35.480 1.00 15.45 H new ATOM 0 HA VAL A 123 30.989 23.587 37.635 1.00 15.03 H new ATOM 0 HB VAL A 123 30.727 24.945 35.170 1.00 15.21 H new ATOM 0 HG11 VAL A 123 32.255 26.574 35.878 1.00 18.40 H new ATOM 0 HG12 VAL A 123 30.936 26.639 36.753 1.00 18.40 H new ATOM 0 HG13 VAL A 123 32.238 25.950 37.334 1.00 18.40 H new ATOM 0 HG21 VAL A 123 33.021 24.456 34.937 1.00 15.21 H new ATOM 0 HG22 VAL A 123 33.014 23.774 36.366 1.00 15.21 H new ATOM 0 HG23 VAL A 123 32.200 23.123 35.173 1.00 15.21 H new ATOM 292 N TRP A 124 28.342 25.292 37.013 1.00 12.99 N ATOM 293 CA TRP A 124 27.340 26.193 37.568 1.00 13.18 C ATOM 294 C TRP A 124 26.356 25.501 38.523 1.00 13.37 C ATOM 295 O TRP A 124 25.919 26.107 39.502 1.00 13.78 O ATOM 296 CB TRP A 124 26.603 26.933 36.445 1.00 12.72 C ATOM 297 CG TRP A 124 27.520 27.790 35.594 1.00 12.84 C ATOM 298 CD1 TRP A 124 27.891 27.557 34.299 1.00 12.66 C ATOM 299 CD2 TRP A 124 28.198 28.997 35.992 1.00 13.92 C ATOM 300 NE1 TRP A 124 28.756 28.535 33.869 1.00 12.99 N ATOM 301 CE2 TRP A 124 28.962 29.431 34.883 1.00 13.82 C ATOM 302 CE3 TRP A 124 28.237 29.747 37.176 1.00 13.76 C ATOM 303 CZ2 TRP A 124 29.758 30.585 34.922 1.00 12.95 C ATOM 304 CZ3 TRP A 124 29.033 30.897 37.214 1.00 14.55 C ATOM 305 CH2 TRP A 124 29.781 31.301 36.091 1.00 13.32 C ATOM 0 H TRP A 124 28.165 25.013 36.219 1.00 12.99 H new ATOM 0 HA TRP A 124 27.818 26.840 38.110 1.00 13.18 H new ATOM 0 HB2 TRP A 124 26.156 26.286 35.878 1.00 12.72 H new ATOM 0 HB3 TRP A 124 25.913 27.494 36.833 1.00 12.72 H new ATOM 0 HD1 TRP A 124 27.600 26.840 33.783 1.00 12.66 H new ATOM 0 HE1 TRP A 124 29.111 28.577 33.087 1.00 12.99 H new ATOM 0 HE3 TRP A 124 27.744 29.486 37.920 1.00 13.76 H new ATOM 0 HZ2 TRP A 124 30.252 30.855 34.182 1.00 12.95 H new ATOM 0 HZ3 TRP A 124 29.069 31.403 37.994 1.00 14.55 H new ATOM 0 HH2 TRP A 124 30.302 32.070 36.144 1.00 13.32 H new ATOM 306 N GLU A 125 26.030 24.235 38.260 1.00 13.65 N ATOM 307 CA GLU A 125 25.114 23.478 39.124 1.00 14.49 C ATOM 308 C GLU A 125 25.701 23.286 40.521 1.00 14.48 C ATOM 309 O GLU A 125 24.977 23.195 41.510 1.00 13.77 O ATOM 310 CB GLU A 125 24.819 22.094 38.537 1.00 16.02 C ATOM 311 CG GLU A 125 23.760 22.057 37.448 1.00 20.48 C ATOM 312 CD GLU A 125 23.312 20.638 37.101 1.00 25.11 C ATOM 313 OE1 GLU A 125 23.623 19.697 37.863 1.00 28.97 O ATOM 314 OE2 GLU A 125 22.635 20.460 36.067 1.00 27.06 O ATOM 0 H GLU A 125 26.328 23.793 37.585 1.00 13.65 H new ATOM 0 HA GLU A 125 24.295 23.994 39.181 1.00 14.49 H new ATOM 0 HB2 GLU A 125 25.643 21.730 38.177 1.00 16.02 H new ATOM 0 HB3 GLU A 125 24.540 21.507 39.257 1.00 16.02 H new ATOM 0 HG2 GLU A 125 22.990 22.573 37.734 1.00 20.48 H new ATOM 0 HG3 GLU A 125 24.108 22.485 36.650 1.00 20.48 H new ATOM 315 N GLU A 126 27.023 23.219 40.586 1.00 14.76 N ATOM 316 CA GLU A 126 27.734 23.012 41.835 1.00 16.82 C ATOM 317 C GLU A 126 27.614 24.166 42.835 1.00 15.56 C ATOM 318 O GLU A 126 27.726 23.955 44.045 1.00 14.57 O ATOM 319 CB GLU A 126 29.207 22.727 41.525 1.00 20.76 C ATOM 320 CG GLU A 126 30.010 22.191 42.695 1.00 30.79 C ATOM 321 CD GLU A 126 31.429 21.784 42.315 1.00 35.73 C ATOM 322 OE1 GLU A 126 31.786 21.852 41.113 1.00 37.99 O ATOM 323 OE2 GLU A 126 32.185 21.389 43.231 1.00 38.96 O ATOM 0 H GLU A 126 27.536 23.293 39.900 1.00 14.76 H new ATOM 0 HA GLU A 126 27.314 22.255 42.272 1.00 16.82 H new ATOM 0 HB2 GLU A 126 29.254 22.088 40.797 1.00 20.76 H new ATOM 0 HB3 GLU A 126 29.623 23.545 41.211 1.00 20.76 H new ATOM 0 HG2 GLU A 126 30.049 22.867 43.389 1.00 30.79 H new ATOM 0 HG3 GLU A 126 29.550 21.424 43.071 1.00 30.79 H new ATOM 324 N VAL A 127 27.348 25.373 42.345 1.00 13.78 N ATOM 325 CA VAL A 127 27.259 26.534 43.226 1.00 14.13 C ATOM 326 C VAL A 127 25.911 27.255 43.228 1.00 13.98 C ATOM 327 O VAL A 127 25.795 28.363 43.765 1.00 13.81 O ATOM 328 CB VAL A 127 28.388 27.560 42.909 1.00 15.13 C ATOM 329 CG1 VAL A 127 29.759 26.935 43.162 1.00 15.15 C ATOM 330 CG2 VAL A 127 28.284 28.040 41.462 1.00 14.54 C ATOM 0 H VAL A 127 27.217 25.541 41.512 1.00 13.78 H new ATOM 0 HA VAL A 127 27.365 26.164 44.116 1.00 14.13 H new ATOM 0 HB VAL A 127 28.282 28.325 43.496 1.00 15.13 H new ATOM 0 HG11 VAL A 127 30.452 27.583 42.961 1.00 15.15 H new ATOM 0 HG12 VAL A 127 29.826 26.668 44.092 1.00 15.15 H new ATOM 0 HG13 VAL A 127 29.870 26.157 42.594 1.00 15.15 H new ATOM 0 HG21 VAL A 127 28.993 28.677 41.280 1.00 14.54 H new ATOM 0 HG22 VAL A 127 28.370 27.282 40.863 1.00 14.54 H new ATOM 0 HG23 VAL A 127 27.424 28.466 41.323 1.00 14.54 H new ATOM 331 N THR A 128 24.893 26.633 42.641 1.00 12.52 N ATOM 332 CA THR A 128 23.561 27.232 42.582 1.00 13.03 C ATOM 333 C THR A 128 22.514 26.131 42.690 1.00 12.19 C ATOM 334 O THR A 128 22.851 24.947 42.706 1.00 12.87 O ATOM 335 CB THR A 128 23.304 27.945 41.221 1.00 14.05 C ATOM 336 OG1 THR A 128 23.328 26.981 40.160 1.00 15.54 O ATOM 337 CG2 THR A 128 24.337 29.029 40.951 1.00 14.80 C ATOM 0 H THR A 128 24.952 25.860 42.269 1.00 12.52 H new ATOM 0 HA THR A 128 23.505 27.874 43.307 1.00 13.03 H new ATOM 0 HB THR A 128 22.432 28.368 41.265 1.00 14.05 H new ATOM 0 HG1 THR A 128 24.122 26.756 40.004 1.00 15.54 H new ATOM 0 HG21 THR A 128 24.148 29.451 40.098 1.00 14.80 H new ATOM 0 HG22 THR A 128 24.300 29.694 41.656 1.00 14.80 H new ATOM 0 HG23 THR A 128 25.222 28.634 40.926 1.00 14.80 H new ATOM 338 N PRO A 129 21.232 26.509 42.826 1.00 12.64 N ATOM 339 CA PRO A 129 20.188 25.485 42.913 1.00 13.34 C ATOM 340 C PRO A 129 19.622 25.163 41.515 1.00 13.53 C ATOM 341 O PRO A 129 18.530 24.615 41.384 1.00 14.72 O ATOM 342 CB PRO A 129 19.152 26.139 43.826 1.00 14.70 C ATOM 343 CG PRO A 129 19.248 27.577 43.456 1.00 15.08 C ATOM 344 CD PRO A 129 20.739 27.810 43.328 1.00 12.19 C ATOM 0 HA PRO A 129 20.497 24.632 43.255 1.00 13.34 H new ATOM 0 HB2 PRO A 129 18.262 25.786 43.671 1.00 14.70 H new ATOM 0 HB3 PRO A 129 19.356 25.994 44.763 1.00 14.70 H new ATOM 0 HG2 PRO A 129 18.785 27.764 42.625 1.00 15.08 H new ATOM 0 HG3 PRO A 129 18.854 28.148 44.134 1.00 15.08 H new ATOM 0 HD2 PRO A 129 20.939 28.532 42.712 1.00 12.19 H new ATOM 0 HD3 PRO A 129 21.141 28.043 44.179 1.00 12.19 H new ATOM 345 N LEU A 130 20.375 25.508 40.476 1.00 13.08 N ATOM 346 CA LEU A 130 19.945 25.263 39.104 1.00 14.85 C ATOM 347 C LEU A 130 20.240 23.840 38.644 1.00 14.03 C ATOM 348 O LEU A 130 21.228 23.231 39.059 1.00 15.18 O ATOM 349 CB LEU A 130 20.656 26.222 38.143 1.00 16.55 C ATOM 350 CG LEU A 130 20.501 27.737 38.283 1.00 16.34 C ATOM 351 CD1 LEU A 130 21.424 28.412 37.286 1.00 17.24 C ATOM 352 CD2 LEU A 130 19.063 28.144 38.043 1.00 17.18 C ATOM 0 H LEU A 130 21.144 25.888 40.545 1.00 13.08 H new ATOM 0 HA LEU A 130 18.985 25.404 39.092 1.00 14.85 H new ATOM 0 HB2 LEU A 130 21.605 26.027 38.198 1.00 16.55 H new ATOM 0 HB3 LEU A 130 20.370 25.989 37.246 1.00 16.55 H new ATOM 0 HG LEU A 130 20.739 28.011 39.182 1.00 16.34 H new ATOM 0 HD11 LEU A 130 21.336 29.375 37.364 1.00 17.24 H new ATOM 0 HD12 LEU A 130 22.341 28.156 37.469 1.00 17.24 H new ATOM 0 HD13 LEU A 130 21.186 28.138 36.387 1.00 17.24 H new ATOM 0 HD21 LEU A 130 18.979 29.106 38.135 1.00 17.18 H new ATOM 0 HD22 LEU A 130 18.797 27.881 37.148 1.00 17.18 H new ATOM 0 HD23 LEU A 130 18.490 27.707 38.692 1.00 17.18 H new ATOM 353 N THR A 131 19.385 23.323 37.771 1.00 14.63 N ATOM 354 CA THR A 131 19.576 21.998 37.199 1.00 16.25 C ATOM 355 C THR A 131 19.289 22.123 35.712 1.00 16.61 C ATOM 356 O THR A 131 18.481 22.962 35.291 1.00 16.23 O ATOM 357 CB THR A 131 18.655 20.925 37.826 1.00 18.76 C ATOM 358 OG1 THR A 131 17.293 21.370 37.802 1.00 22.28 O ATOM 359 CG2 THR A 131 19.079 20.618 39.251 1.00 19.59 C ATOM 0 H THR A 131 18.679 23.729 37.494 1.00 14.63 H new ATOM 0 HA THR A 131 20.482 21.702 37.378 1.00 16.25 H new ATOM 0 HB THR A 131 18.732 20.112 37.302 1.00 18.76 H new ATOM 0 HG1 THR A 131 16.966 21.312 38.573 1.00 22.28 H new ATOM 0 HG21 THR A 131 18.490 19.944 39.626 1.00 19.59 H new ATOM 0 HG22 THR A 131 19.991 20.287 39.253 1.00 19.59 H new ATOM 0 HG23 THR A 131 19.027 21.426 39.785 1.00 19.59 H new ATOM 360 N PHE A 132 19.980 21.319 34.916 1.00 16.40 N ATOM 361 CA PHE A 132 19.819 21.343 33.470 1.00 16.95 C ATOM 362 C PHE A 132 19.414 19.967 32.943 1.00 18.28 C ATOM 363 O PHE A 132 19.963 18.945 33.365 1.00 19.37 O ATOM 364 CB PHE A 132 21.131 21.778 32.805 1.00 16.64 C ATOM 365 CG PHE A 132 21.645 23.104 33.287 1.00 16.00 C ATOM 366 CD1 PHE A 132 21.222 24.285 32.692 1.00 17.12 C ATOM 367 CD2 PHE A 132 22.542 23.173 34.346 1.00 16.36 C ATOM 368 CE1 PHE A 132 21.685 25.518 33.147 1.00 18.11 C ATOM 369 CE2 PHE A 132 23.011 24.399 34.809 1.00 18.20 C ATOM 370 CZ PHE A 132 22.581 25.575 34.208 1.00 18.37 C ATOM 0 H PHE A 132 20.555 20.745 35.198 1.00 16.40 H new ATOM 0 HA PHE A 132 19.117 21.977 33.254 1.00 16.95 H new ATOM 0 HB2 PHE A 132 21.806 21.101 32.967 1.00 16.64 H new ATOM 0 HB3 PHE A 132 20.998 21.822 31.845 1.00 16.64 H new ATOM 0 HD1 PHE A 132 20.623 24.253 31.982 1.00 17.12 H new ATOM 0 HD2 PHE A 132 22.833 22.388 34.751 1.00 16.36 H new ATOM 0 HE1 PHE A 132 21.395 26.303 32.741 1.00 18.11 H new ATOM 0 HE2 PHE A 132 23.611 24.431 35.519 1.00 18.20 H new ATOM 0 HZ PHE A 132 22.891 26.397 34.514 1.00 18.37 H new ATOM 371 N SER A 133 18.445 19.950 32.034 1.00 17.40 N ATOM 372 CA SER A 133 17.978 18.714 31.420 1.00 17.38 C ATOM 373 C SER A 133 18.210 18.832 29.923 1.00 15.75 C ATOM 374 O SER A 133 17.958 19.879 29.330 1.00 16.01 O ATOM 375 CB SER A 133 16.494 18.483 31.709 1.00 18.75 C ATOM 376 OG SER A 133 16.288 18.232 33.090 1.00 25.43 O ATOM 0 H SER A 133 18.040 20.656 31.756 1.00 17.40 H new ATOM 0 HA SER A 133 18.463 17.958 31.786 1.00 17.38 H new ATOM 0 HB2 SER A 133 15.981 19.260 31.436 1.00 18.75 H new ATOM 0 HB3 SER A 133 16.171 17.732 31.187 1.00 18.75 H new ATOM 0 HG SER A 133 15.969 18.918 33.455 1.00 25.43 H new ATOM 377 N ARG A 134 18.696 17.764 29.315 1.00 14.93 N ATOM 378 CA ARG A 134 18.975 17.773 27.893 1.00 14.85 C ATOM 379 C ARG A 134 17.780 17.360 27.033 1.00 15.84 C ATOM 380 O ARG A 134 17.035 16.450 27.395 1.00 16.32 O ATOM 381 CB ARG A 134 20.166 16.862 27.615 1.00 13.78 C ATOM 382 CG ARG A 134 20.661 16.913 26.199 1.00 15.13 C ATOM 383 CD ARG A 134 21.941 16.134 26.060 1.00 15.21 C ATOM 384 NE ARG A 134 22.397 16.129 24.675 1.00 17.93 N ATOM 385 CZ ARG A 134 23.477 15.487 24.244 1.00 18.47 C ATOM 386 NH1 ARG A 134 24.224 14.794 25.092 1.00 19.95 N ATOM 387 NH2 ARG A 134 23.798 15.524 22.959 1.00 19.78 N ATOM 0 H ARG A 134 18.872 17.021 29.710 1.00 14.93 H new ATOM 0 HA ARG A 134 19.177 18.689 27.645 1.00 14.85 H new ATOM 0 HB2 ARG A 134 20.892 17.105 28.210 1.00 13.78 H new ATOM 0 HB3 ARG A 134 19.919 15.949 27.828 1.00 13.78 H new ATOM 0 HG2 ARG A 134 19.988 16.549 25.602 1.00 15.13 H new ATOM 0 HG3 ARG A 134 20.807 17.835 25.934 1.00 15.13 H new ATOM 0 HD2 ARG A 134 22.624 16.523 26.628 1.00 15.21 H new ATOM 0 HD3 ARG A 134 21.804 15.223 26.363 1.00 15.21 H new ATOM 0 HE ARG A 134 21.936 16.571 24.099 1.00 17.93 H new ATOM 0 HH11 ARG A 134 24.010 14.759 25.924 1.00 19.95 H new ATOM 0 HH12 ARG A 134 24.923 14.379 24.810 1.00 19.95 H new ATOM 0 HH21 ARG A 134 23.307 15.963 22.406 1.00 19.78 H new ATOM 0 HH22 ARG A 134 24.497 15.109 22.678 1.00 19.78 H new ATOM 388 N LEU A 135 17.569 18.078 25.931 1.00 14.68 N ATOM 389 CA LEU A 135 16.499 17.769 24.984 1.00 15.63 C ATOM 390 C LEU A 135 17.177 17.381 23.678 1.00 15.59 C ATOM 391 O LEU A 135 18.231 17.922 23.337 1.00 14.62 O ATOM 392 CB LEU A 135 15.581 18.971 24.740 1.00 16.07 C ATOM 393 CG LEU A 135 14.754 19.500 25.910 1.00 18.56 C ATOM 394 CD1 LEU A 135 13.747 20.522 25.398 1.00 18.12 C ATOM 395 CD2 LEU A 135 14.044 18.347 26.609 1.00 19.89 C ATOM 0 H LEU A 135 18.044 18.760 25.711 1.00 14.68 H new ATOM 0 HA LEU A 135 15.944 17.057 25.339 1.00 15.63 H new ATOM 0 HB2 LEU A 135 16.130 19.700 24.412 1.00 16.07 H new ATOM 0 HB3 LEU A 135 14.967 18.735 24.027 1.00 16.07 H new ATOM 0 HG LEU A 135 15.339 19.932 26.553 1.00 18.56 H new ATOM 0 HD11 LEU A 135 13.221 20.859 26.140 1.00 18.12 H new ATOM 0 HD12 LEU A 135 14.218 21.258 24.976 1.00 18.12 H new ATOM 0 HD13 LEU A 135 13.159 20.101 24.751 1.00 18.12 H new ATOM 0 HD21 LEU A 135 13.521 18.690 27.350 1.00 19.89 H new ATOM 0 HD22 LEU A 135 13.457 17.899 25.980 1.00 19.89 H new ATOM 0 HD23 LEU A 135 14.701 17.716 26.942 1.00 19.89 H new ATOM 396 N TYR A 136 16.586 16.434 22.958 1.00 16.30 N ATOM 397 CA TYR A 136 17.151 15.975 21.690 1.00 16.57 C ATOM 398 C TYR A 136 16.323 16.412 20.487 1.00 17.36 C ATOM 399 O TYR A 136 16.609 16.032 19.351 1.00 17.92 O ATOM 400 CB TYR A 136 17.326 14.451 21.701 1.00 16.85 C ATOM 401 CG TYR A 136 18.352 13.981 22.708 1.00 18.03 C ATOM 402 CD1 TYR A 136 17.991 13.716 24.028 1.00 19.78 C ATOM 403 CD2 TYR A 136 19.693 13.838 22.351 1.00 19.39 C ATOM 404 CE1 TYR A 136 18.939 13.322 24.969 1.00 21.34 C ATOM 405 CE2 TYR A 136 20.649 13.445 23.285 1.00 21.25 C ATOM 406 CZ TYR A 136 20.263 13.190 24.592 1.00 21.36 C ATOM 407 OH TYR A 136 21.197 12.802 25.525 1.00 26.53 O ATOM 0 H TYR A 136 15.855 16.042 23.185 1.00 16.30 H new ATOM 0 HA TYR A 136 18.021 16.394 21.599 1.00 16.57 H new ATOM 0 HB2 TYR A 136 16.473 14.034 21.898 1.00 16.85 H new ATOM 0 HB3 TYR A 136 17.589 14.154 20.816 1.00 16.85 H new ATOM 0 HD1 TYR A 136 17.101 13.804 24.285 1.00 19.78 H new ATOM 0 HD2 TYR A 136 19.953 14.008 21.474 1.00 19.39 H new ATOM 0 HE1 TYR A 136 18.683 13.149 25.846 1.00 21.34 H new ATOM 0 HE2 TYR A 136 21.540 13.354 23.034 1.00 21.25 H new ATOM 0 HH TYR A 136 21.954 12.761 25.164 1.00 26.53 H new ATOM 408 N GLU A 137 15.305 17.227 20.737 1.00 18.04 N ATOM 409 CA GLU A 137 14.445 17.716 19.672 1.00 19.64 C ATOM 410 C GLU A 137 13.727 18.982 20.108 1.00 18.35 C ATOM 411 O GLU A 137 13.631 19.273 21.304 1.00 18.81 O ATOM 412 CB GLU A 137 13.420 16.645 19.279 1.00 22.28 C ATOM 413 CG GLU A 137 12.481 16.242 20.402 1.00 27.63 C ATOM 414 CD GLU A 137 11.613 15.058 20.038 1.00 32.49 C ATOM 415 OE1 GLU A 137 10.567 15.263 19.383 1.00 34.12 O ATOM 416 OE2 GLU A 137 11.979 13.921 20.407 1.00 35.74 O ATOM 0 H GLU A 137 15.096 17.509 21.522 1.00 18.04 H new ATOM 0 HA GLU A 137 14.999 17.919 18.902 1.00 19.64 H new ATOM 0 HB2 GLU A 137 12.894 16.973 18.533 1.00 22.28 H new ATOM 0 HB3 GLU A 137 13.893 15.857 18.968 1.00 22.28 H new ATOM 0 HG2 GLU A 137 13.001 16.027 21.192 1.00 27.63 H new ATOM 0 HG3 GLU A 137 11.915 16.995 20.632 1.00 27.63 H new ATOM 417 N GLY A 138 13.248 19.739 19.130 1.00 17.05 N ATOM 418 CA GLY A 138 12.523 20.959 19.416 1.00 16.98 C ATOM 419 C GLY A 138 13.367 22.072 19.992 1.00 17.03 C ATOM 420 O GLY A 138 14.589 22.105 19.827 1.00 15.90 O ATOM 0 H GLY A 138 13.334 19.560 18.293 1.00 17.05 H new ATOM 0 HA2 GLY A 138 12.108 21.274 18.598 1.00 16.98 H new ATOM 0 HA3 GLY A 138 11.807 20.757 20.038 1.00 16.98 H new ATOM 421 N GLU A 139 12.702 22.980 20.690 1.00 18.35 N ATOM 422 CA GLU A 139 13.364 24.122 21.284 1.00 18.74 C ATOM 423 C GLU A 139 13.572 23.983 22.785 1.00 18.07 C ATOM 424 O GLU A 139 12.631 23.740 23.544 1.00 19.24 O ATOM 425 CB GLU A 139 12.571 25.392 20.982 1.00 21.89 C ATOM 426 CG GLU A 139 13.233 26.660 21.477 1.00 28.71 C ATOM 427 CD GLU A 139 12.477 27.913 21.089 1.00 33.91 C ATOM 428 OE1 GLU A 139 11.280 27.814 20.733 1.00 37.99 O ATOM 429 OE2 GLU A 139 13.084 29.005 21.142 1.00 36.23 O ATOM 0 H GLU A 139 11.854 22.949 20.831 1.00 18.35 H new ATOM 0 HA GLU A 139 14.247 24.173 20.886 1.00 18.74 H new ATOM 0 HB2 GLU A 139 12.438 25.460 20.024 1.00 21.89 H new ATOM 0 HB3 GLU A 139 11.692 25.318 21.385 1.00 21.89 H new ATOM 0 HG2 GLU A 139 13.311 26.622 22.443 1.00 28.71 H new ATOM 0 HG3 GLU A 139 14.134 26.709 21.121 1.00 28.71 H new ATOM 430 N ALA A 140 14.824 24.110 23.198 1.00 14.86 N ATOM 431 CA ALA A 140 15.187 24.050 24.600 1.00 13.30 C ATOM 432 C ALA A 140 15.445 25.502 24.988 1.00 13.39 C ATOM 433 O ALA A 140 15.560 26.363 24.113 1.00 14.86 O ATOM 434 CB ALA A 140 16.443 23.230 24.770 1.00 13.30 C ATOM 0 H ALA A 140 15.490 24.234 22.668 1.00 14.86 H new ATOM 0 HA ALA A 140 14.501 23.638 25.148 1.00 13.30 H new ATOM 0 HB1 ALA A 140 16.681 23.193 25.710 1.00 13.30 H new ATOM 0 HB2 ALA A 140 16.290 22.331 24.440 1.00 13.30 H new ATOM 0 HB3 ALA A 140 17.167 23.638 24.269 1.00 13.30 H new ATOM 435 N ASP A 141 15.511 25.793 26.283 1.00 12.58 N ATOM 436 CA ASP A 141 15.774 27.159 26.731 1.00 12.28 C ATOM 437 C ASP A 141 17.132 27.617 26.196 1.00 11.95 C ATOM 438 O ASP A 141 17.267 28.713 25.633 1.00 13.24 O ATOM 439 CB ASP A 141 15.799 27.237 28.261 1.00 13.49 C ATOM 440 CG ASP A 141 14.481 26.835 28.895 1.00 15.07 C ATOM 441 OD1 ASP A 141 13.431 27.379 28.496 1.00 16.84 O ATOM 442 OD2 ASP A 141 14.502 25.977 29.801 1.00 16.10 O ATOM 0 H ASP A 141 15.407 25.220 26.915 1.00 12.58 H new ATOM 0 HA ASP A 141 15.066 27.731 26.396 1.00 12.28 H new ATOM 0 HB2 ASP A 141 16.503 26.662 28.598 1.00 13.49 H new ATOM 0 HB3 ASP A 141 16.019 28.142 28.530 1.00 13.49 H new ATOM 443 N ILE A 142 18.129 26.761 26.359 1.00 10.62 N ATOM 444 CA ILE A 142 19.477 27.061 25.921 1.00 11.63 C ATOM 445 C ILE A 142 19.843 26.220 24.699 1.00 11.17 C ATOM 446 O ILE A 142 20.143 25.032 24.818 1.00 13.39 O ATOM 447 CB ILE A 142 20.475 26.806 27.069 1.00 11.82 C ATOM 448 CG1 ILE A 142 20.111 27.690 28.269 1.00 12.24 C ATOM 449 CG2 ILE A 142 21.908 27.082 26.613 1.00 12.03 C ATOM 450 CD1 ILE A 142 20.899 27.387 29.518 1.00 13.87 C ATOM 0 H ILE A 142 18.041 25.989 26.728 1.00 10.62 H new ATOM 0 HA ILE A 142 19.521 27.997 25.671 1.00 11.63 H new ATOM 0 HB ILE A 142 20.421 25.874 27.332 1.00 11.82 H new ATOM 0 HG12 ILE A 142 20.250 28.619 28.028 1.00 12.24 H new ATOM 0 HG13 ILE A 142 19.166 27.585 28.461 1.00 12.24 H new ATOM 0 HG21 ILE A 142 22.519 26.916 27.348 1.00 12.03 H new ATOM 0 HG22 ILE A 142 22.130 26.498 25.871 1.00 12.03 H new ATOM 0 HG23 ILE A 142 21.986 28.007 26.331 1.00 12.03 H new ATOM 0 HD11 ILE A 142 20.617 27.981 30.231 1.00 13.87 H new ATOM 0 HD12 ILE A 142 20.744 26.467 29.784 1.00 13.87 H new ATOM 0 HD13 ILE A 142 21.844 27.517 29.344 1.00 13.87 H new ATOM 451 N MET A 143 19.758 26.831 23.521 1.00 11.08 N ATOM 452 CA MET A 143 20.098 26.156 22.268 1.00 10.97 C ATOM 453 C MET A 143 21.581 26.388 22.000 1.00 11.43 C ATOM 454 O MET A 143 22.033 27.534 21.915 1.00 12.14 O ATOM 455 CB MET A 143 19.260 26.712 21.115 1.00 10.93 C ATOM 456 CG MET A 143 17.767 26.466 21.264 1.00 12.17 C ATOM 457 SD MET A 143 17.321 24.740 21.017 1.00 15.71 S ATOM 458 CE MET A 143 16.960 24.768 19.278 1.00 13.96 C ATOM 0 H MET A 143 19.502 27.646 23.424 1.00 11.08 H new ATOM 0 HA MET A 143 19.911 25.207 22.339 1.00 10.97 H new ATOM 0 HB2 MET A 143 19.416 27.667 21.044 1.00 10.93 H new ATOM 0 HB3 MET A 143 19.563 26.313 20.285 1.00 10.93 H new ATOM 0 HG2 MET A 143 17.483 26.746 22.148 1.00 12.17 H new ATOM 0 HG3 MET A 143 17.287 27.015 20.625 1.00 12.17 H new ATOM 0 HE1 MET A 143 16.835 23.861 18.959 1.00 13.96 H new ATOM 0 HE2 MET A 143 16.150 25.279 19.124 1.00 13.96 H new ATOM 0 HE3 MET A 143 17.697 25.180 18.801 1.00 13.96 H new ATOM 459 N ILE A 144 22.329 25.299 21.880 1.00 11.15 N ATOM 460 CA ILE A 144 23.763 25.353 21.643 1.00 11.24 C ATOM 461 C ILE A 144 24.088 24.939 20.215 1.00 11.57 C ATOM 462 O ILE A 144 23.677 23.870 19.767 1.00 11.88 O ATOM 463 CB ILE A 144 24.500 24.425 22.631 1.00 11.46 C ATOM 464 CG1 ILE A 144 24.318 24.945 24.057 1.00 12.22 C ATOM 465 CG2 ILE A 144 25.977 24.312 22.273 1.00 12.49 C ATOM 466 CD1 ILE A 144 24.833 24.012 25.111 1.00 14.72 C ATOM 0 H ILE A 144 22.015 24.500 21.935 1.00 11.15 H new ATOM 0 HA ILE A 144 24.059 26.267 21.778 1.00 11.24 H new ATOM 0 HB ILE A 144 24.118 23.535 22.572 1.00 11.46 H new ATOM 0 HG12 ILE A 144 24.772 25.798 24.142 1.00 12.22 H new ATOM 0 HG13 ILE A 144 23.375 25.109 24.215 1.00 12.22 H new ATOM 0 HG21 ILE A 144 26.420 23.725 22.906 1.00 12.49 H new ATOM 0 HG22 ILE A 144 26.066 23.948 21.378 1.00 12.49 H new ATOM 0 HG23 ILE A 144 26.386 25.191 22.307 1.00 12.49 H new ATOM 0 HD11 ILE A 144 24.687 24.401 25.987 1.00 14.72 H new ATOM 0 HD12 ILE A 144 24.364 23.165 25.051 1.00 14.72 H new ATOM 0 HD13 ILE A 144 25.782 23.865 24.977 1.00 14.72 H new ATOM 467 N SER A 145 24.824 25.781 19.499 1.00 10.72 N ATOM 468 CA SER A 145 25.188 25.459 18.129 1.00 12.04 C ATOM 469 C SER A 145 26.562 25.970 17.708 1.00 11.17 C ATOM 470 O SER A 145 27.147 26.847 18.349 1.00 11.61 O ATOM 471 CB SER A 145 24.118 25.959 17.159 1.00 11.55 C ATOM 472 OG SER A 145 23.972 27.362 17.231 1.00 16.34 O ATOM 0 H SER A 145 25.119 26.536 19.786 1.00 10.72 H new ATOM 0 HA SER A 145 25.242 24.491 18.094 1.00 12.04 H new ATOM 0 HB2 SER A 145 24.355 25.703 16.254 1.00 11.55 H new ATOM 0 HB3 SER A 145 23.270 25.533 17.362 1.00 11.55 H new ATOM 0 HG SER A 145 24.630 27.692 17.635 1.00 16.34 H new ATOM 473 N PHE A 146 27.084 25.365 16.650 1.00 11.40 N ATOM 474 CA PHE A 146 28.375 25.719 16.079 1.00 12.65 C ATOM 475 C PHE A 146 28.079 26.256 14.694 1.00 13.36 C ATOM 476 O PHE A 146 27.397 25.607 13.899 1.00 13.66 O ATOM 477 CB PHE A 146 29.283 24.490 15.978 1.00 12.44 C ATOM 478 CG PHE A 146 29.704 23.950 17.303 1.00 13.04 C ATOM 479 CD1 PHE A 146 28.893 23.053 17.992 1.00 14.31 C ATOM 480 CD2 PHE A 146 30.889 24.369 17.890 1.00 13.14 C ATOM 481 CE1 PHE A 146 29.256 22.587 19.250 1.00 14.99 C ATOM 482 CE2 PHE A 146 31.258 23.908 19.147 1.00 15.19 C ATOM 483 CZ PHE A 146 30.441 23.018 19.827 1.00 14.29 C ATOM 0 H PHE A 146 26.689 24.723 16.235 1.00 11.40 H new ATOM 0 HA PHE A 146 28.836 26.369 16.632 1.00 12.65 H new ATOM 0 HB2 PHE A 146 28.820 23.794 15.486 1.00 12.44 H new ATOM 0 HB3 PHE A 146 30.073 24.722 15.466 1.00 12.44 H new ATOM 0 HD1 PHE A 146 28.099 22.762 17.606 1.00 14.31 H new ATOM 0 HD2 PHE A 146 31.442 24.964 17.437 1.00 13.14 H new ATOM 0 HE1 PHE A 146 28.707 21.989 19.703 1.00 14.99 H new ATOM 0 HE2 PHE A 146 32.054 24.196 19.533 1.00 15.19 H new ATOM 0 HZ PHE A 146 30.687 22.710 20.669 1.00 14.29 H new ATOM 484 N ALA A 147 28.608 27.430 14.394 1.00 13.80 N ATOM 485 CA ALA A 147 28.358 28.047 13.109 1.00 15.23 C ATOM 486 C ALA A 147 29.544 28.885 12.673 1.00 16.19 C ATOM 487 O ALA A 147 30.458 29.138 13.455 1.00 15.74 O ATOM 488 CB ALA A 147 27.111 28.914 13.201 1.00 15.79 C ATOM 0 H ALA A 147 29.114 27.884 14.921 1.00 13.80 H new ATOM 0 HA ALA A 147 28.223 27.350 12.448 1.00 15.23 H new ATOM 0 HB1 ALA A 147 26.941 29.329 12.341 1.00 15.79 H new ATOM 0 HB2 ALA A 147 26.352 28.364 13.450 1.00 15.79 H new ATOM 0 HB3 ALA A 147 27.244 29.603 13.871 1.00 15.79 H new ATOM 489 N VAL A 148 29.546 29.281 11.404 1.00 17.87 N ATOM 490 CA VAL A 148 30.612 30.120 10.857 1.00 18.95 C ATOM 491 C VAL A 148 29.982 31.291 10.100 1.00 18.03 C ATOM 492 O VAL A 148 28.895 31.153 9.532 1.00 17.97 O ATOM 493 CB VAL A 148 31.548 29.332 9.891 1.00 19.66 C ATOM 494 CG1 VAL A 148 32.216 28.178 10.615 1.00 20.41 C ATOM 495 CG2 VAL A 148 30.772 28.821 8.688 1.00 21.34 C ATOM 0 H VAL A 148 28.934 29.073 10.837 1.00 17.87 H new ATOM 0 HA VAL A 148 31.153 30.434 11.598 1.00 18.95 H new ATOM 0 HB VAL A 148 32.237 29.939 9.577 1.00 19.66 H new ATOM 0 HG11 VAL A 148 32.793 27.700 9.999 1.00 20.41 H new ATOM 0 HG12 VAL A 148 32.744 28.521 11.353 1.00 20.41 H new ATOM 0 HG13 VAL A 148 31.538 27.574 10.956 1.00 20.41 H new ATOM 0 HG21 VAL A 148 31.370 28.334 8.100 1.00 21.34 H new ATOM 0 HG22 VAL A 148 30.063 28.231 8.987 1.00 21.34 H new ATOM 0 HG23 VAL A 148 30.387 29.571 8.208 1.00 21.34 H new ATOM 496 N ARG A 149 30.641 32.448 10.148 1.00 17.63 N ATOM 497 CA ARG A 149 30.176 33.653 9.457 1.00 17.98 C ATOM 498 C ARG A 149 28.698 33.956 9.751 1.00 17.98 C ATOM 499 O ARG A 149 28.285 33.944 10.911 1.00 17.24 O ATOM 500 CB ARG A 149 30.427 33.526 7.945 1.00 19.05 C ATOM 501 CG ARG A 149 31.878 33.262 7.553 1.00 21.49 C ATOM 502 CD ARG A 149 32.768 34.454 7.848 1.00 24.02 C ATOM 503 NE ARG A 149 34.180 34.162 7.608 1.00 26.32 N ATOM 504 CZ ARG A 149 35.154 35.066 7.671 1.00 27.08 C ATOM 505 NH1 ARG A 149 34.877 36.332 7.964 1.00 27.29 N ATOM 506 NH2 ARG A 149 36.414 34.698 7.464 1.00 28.84 N ATOM 0 H ARG A 149 31.374 32.557 10.584 1.00 17.63 H new ATOM 0 HA ARG A 149 30.686 34.405 9.797 1.00 17.98 H new ATOM 0 HB2 ARG A 149 29.876 32.807 7.599 1.00 19.05 H new ATOM 0 HB3 ARG A 149 30.132 34.342 7.512 1.00 19.05 H new ATOM 0 HG2 ARG A 149 32.207 32.486 8.034 1.00 21.49 H new ATOM 0 HG3 ARG A 149 31.924 33.050 6.608 1.00 21.49 H new ATOM 0 HD2 ARG A 149 32.496 35.203 7.295 1.00 24.02 H new ATOM 0 HD3 ARG A 149 32.648 34.724 8.772 1.00 24.02 H new ATOM 0 HE ARG A 149 34.395 33.352 7.413 1.00 26.32 H new ATOM 0 HH11 ARG A 149 34.065 36.571 8.114 1.00 27.29 H new ATOM 0 HH12 ARG A 149 35.510 36.913 8.004 1.00 27.29 H new ATOM 0 HH21 ARG A 149 36.599 33.876 7.290 1.00 28.84 H new ATOM 0 HH22 ARG A 149 37.045 35.281 7.504 1.00 28.84 H new ATOM 507 N GLU A 150 27.907 34.239 8.718 1.00 19.09 N ATOM 508 CA GLU A 150 26.489 34.536 8.902 1.00 22.28 C ATOM 509 C GLU A 150 25.743 33.248 9.228 1.00 21.06 C ATOM 510 O GLU A 150 25.744 32.301 8.440 1.00 21.68 O ATOM 511 CB GLU A 150 25.925 35.224 7.656 1.00 27.17 C ATOM 512 CG GLU A 150 26.726 36.468 7.283 1.00 37.36 C ATOM 513 CD GLU A 150 26.026 37.370 6.283 1.00 44.26 C ATOM 514 OE1 GLU A 150 25.979 37.008 5.083 1.00 49.75 O ATOM 515 OE2 GLU A 150 25.543 38.454 6.699 1.00 46.98 O ATOM 0 H GLU A 150 28.173 34.264 7.901 1.00 19.09 H new ATOM 0 HA GLU A 150 26.373 35.149 9.645 1.00 22.28 H new ATOM 0 HB2 GLU A 150 25.930 34.601 6.912 1.00 27.17 H new ATOM 0 HB3 GLU A 150 25.000 35.470 7.813 1.00 27.17 H new ATOM 0 HG2 GLU A 150 26.913 36.976 8.088 1.00 37.36 H new ATOM 0 HG3 GLU A 150 27.581 36.194 6.916 1.00 37.36 H new ATOM 516 N HIS A 151 25.097 33.224 10.390 1.00 19.16 N ATOM 517 CA HIS A 151 24.398 32.031 10.842 1.00 17.74 C ATOM 518 C HIS A 151 22.952 32.194 11.312 1.00 17.81 C ATOM 519 O HIS A 151 22.513 31.496 12.224 1.00 18.42 O ATOM 520 CB HIS A 151 25.227 31.344 11.932 1.00 15.04 C ATOM 521 CG HIS A 151 25.554 32.230 13.096 1.00 13.83 C ATOM 522 ND1 HIS A 151 26.586 33.139 13.110 1.00 12.55 N ATOM 523 CD2 HIS A 151 24.960 32.334 14.312 1.00 12.64 C ATOM 524 CE1 HIS A 151 26.590 33.753 14.300 1.00 13.25 C ATOM 525 NE2 HIS A 151 25.618 33.305 15.081 1.00 15.00 N ATOM 0 H HIS A 151 25.053 33.891 10.931 1.00 19.16 H new ATOM 0 HA HIS A 151 24.312 31.490 10.041 1.00 17.74 H new ATOM 0 HB2 HIS A 151 24.742 30.568 12.254 1.00 15.04 H new ATOM 0 HB3 HIS A 151 26.054 31.020 11.541 1.00 15.04 H new ATOM 0 HD1 HIS A 151 27.135 33.288 12.465 1.00 12.55 H new ATOM 0 HD2 HIS A 151 24.227 31.836 14.593 1.00 12.64 H new ATOM 0 HE1 HIS A 151 27.199 34.411 14.547 1.00 13.25 H new ATOM 526 N GLY A 152 22.216 33.122 10.713 1.00 18.04 N ATOM 527 CA GLY A 152 20.826 33.288 11.095 1.00 18.77 C ATOM 528 C GLY A 152 20.480 34.341 12.129 1.00 20.31 C ATOM 529 O GLY A 152 19.300 34.528 12.429 1.00 22.25 O ATOM 0 H GLY A 152 22.496 33.653 10.097 1.00 18.04 H new ATOM 0 HA2 GLY A 152 20.321 33.487 10.291 1.00 18.77 H new ATOM 0 HA3 GLY A 152 20.507 32.434 11.426 1.00 18.77 H new ATOM 530 N ASP A 153 21.475 34.994 12.722 1.00 19.72 N ATOM 531 CA ASP A 153 21.175 36.042 13.691 1.00 19.06 C ATOM 532 C ASP A 153 21.784 37.367 13.243 1.00 19.52 C ATOM 533 O ASP A 153 22.389 37.438 12.170 1.00 21.29 O ATOM 534 CB ASP A 153 21.557 35.651 15.141 1.00 17.16 C ATOM 535 CG ASP A 153 23.046 35.411 15.341 1.00 15.71 C ATOM 536 OD1 ASP A 153 23.858 35.732 14.456 1.00 15.09 O ATOM 537 OD2 ASP A 153 23.406 34.900 16.421 1.00 16.96 O ATOM 0 H ASP A 153 22.311 34.850 12.582 1.00 19.72 H new ATOM 0 HA ASP A 153 20.212 36.158 13.716 1.00 19.06 H new ATOM 0 HB2 ASP A 153 21.268 36.354 15.743 1.00 17.16 H new ATOM 0 HB3 ASP A 153 21.072 34.848 15.389 1.00 17.16 H new ATOM 538 N PHE A 154 21.642 38.399 14.066 1.00 19.73 N ATOM 539 CA PHE A 154 22.137 39.736 13.738 1.00 20.07 C ATOM 540 C PHE A 154 23.660 39.907 13.784 1.00 19.35 C ATOM 541 O PHE A 154 24.192 40.849 13.200 1.00 19.49 O ATOM 542 CB PHE A 154 21.465 40.744 14.681 1.00 21.67 C ATOM 543 CG PHE A 154 21.539 42.172 14.218 1.00 25.09 C ATOM 544 CD1 PHE A 154 20.745 42.619 13.166 1.00 26.94 C ATOM 545 CD2 PHE A 154 22.369 43.084 14.863 1.00 26.98 C ATOM 546 CE1 PHE A 154 20.776 43.954 12.765 1.00 27.53 C ATOM 547 CE2 PHE A 154 22.408 44.421 14.470 1.00 28.50 C ATOM 548 CZ PHE A 154 21.609 44.855 13.420 1.00 28.80 C ATOM 0 H PHE A 154 21.256 38.346 14.832 1.00 19.73 H new ATOM 0 HA PHE A 154 21.905 39.892 12.809 1.00 20.07 H new ATOM 0 HB2 PHE A 154 20.533 40.498 14.788 1.00 21.67 H new ATOM 0 HB3 PHE A 154 21.879 40.677 15.556 1.00 21.67 H new ATOM 0 HD1 PHE A 154 20.187 42.020 12.725 1.00 26.94 H new ATOM 0 HD2 PHE A 154 22.906 42.797 15.566 1.00 26.98 H new ATOM 0 HE1 PHE A 154 20.241 44.242 12.061 1.00 27.53 H new ATOM 0 HE2 PHE A 154 22.967 45.020 14.909 1.00 28.50 H new ATOM 0 HZ PHE A 154 21.631 45.746 13.155 1.00 28.80 H new ATOM 549 N TYR A 155 24.361 38.980 14.435 1.00 19.28 N ATOM 550 CA TYR A 155 25.814 39.077 14.595 1.00 17.47 C ATOM 551 C TYR A 155 26.625 37.965 13.936 1.00 16.38 C ATOM 552 O TYR A 155 26.880 36.919 14.541 1.00 16.65 O ATOM 553 CB TYR A 155 26.152 39.157 16.085 1.00 16.80 C ATOM 554 CG TYR A 155 25.385 40.238 16.805 1.00 18.94 C ATOM 555 CD1 TYR A 155 25.881 41.538 16.880 1.00 18.70 C ATOM 556 CD2 TYR A 155 24.148 39.965 17.395 1.00 20.14 C ATOM 557 CE1 TYR A 155 25.165 42.542 17.522 1.00 20.65 C ATOM 558 CE2 TYR A 155 23.423 40.963 18.040 1.00 21.37 C ATOM 559 CZ TYR A 155 23.937 42.249 18.098 1.00 21.57 C ATOM 560 OH TYR A 155 23.219 43.244 18.719 1.00 23.34 O ATOM 0 H TYR A 155 24.012 38.281 14.795 1.00 19.28 H new ATOM 0 HA TYR A 155 26.074 39.884 14.124 1.00 17.47 H new ATOM 0 HB2 TYR A 155 25.963 38.301 16.501 1.00 16.80 H new ATOM 0 HB3 TYR A 155 27.103 39.319 16.188 1.00 16.80 H new ATOM 0 HD1 TYR A 155 26.704 41.737 16.495 1.00 18.70 H new ATOM 0 HD2 TYR A 155 23.803 39.102 17.356 1.00 20.14 H new ATOM 0 HE1 TYR A 155 25.507 43.406 17.565 1.00 20.65 H new ATOM 0 HE2 TYR A 155 22.601 40.769 18.429 1.00 21.37 H new ATOM 0 HH TYR A 155 22.501 42.927 19.019 1.00 23.34 H new ATOM 561 N PRO A 156 27.054 38.179 12.684 1.00 16.33 N ATOM 562 CA PRO A 156 27.840 37.168 11.971 1.00 15.99 C ATOM 563 C PRO A 156 29.193 36.931 12.640 1.00 15.20 C ATOM 564 O PRO A 156 29.746 37.841 13.268 1.00 15.24 O ATOM 565 CB PRO A 156 28.030 37.803 10.590 1.00 17.50 C ATOM 566 CG PRO A 156 26.856 38.734 10.460 1.00 17.52 C ATOM 567 CD PRO A 156 26.794 39.344 11.822 1.00 15.96 C ATOM 0 HA PRO A 156 27.407 36.300 11.950 1.00 15.99 H new ATOM 0 HB2 PRO A 156 28.872 38.281 10.531 1.00 17.50 H new ATOM 0 HB3 PRO A 156 28.033 37.134 9.888 1.00 17.50 H new ATOM 0 HG2 PRO A 156 26.996 39.401 9.769 1.00 17.52 H new ATOM 0 HG3 PRO A 156 26.040 38.260 10.236 1.00 17.52 H new ATOM 0 HD2 PRO A 156 27.459 40.040 11.940 1.00 15.96 H new ATOM 0 HD3 PRO A 156 25.929 39.745 12.002 1.00 15.96 H new ATOM 568 N PHE A 157 29.698 35.703 12.557 1.00 15.41 N ATOM 569 CA PHE A 157 31.008 35.405 13.117 1.00 14.70 C ATOM 570 C PHE A 157 32.074 35.993 12.183 1.00 14.96 C ATOM 571 O PHE A 157 31.782 36.339 11.035 1.00 14.65 O ATOM 572 CB PHE A 157 31.186 33.907 13.393 1.00 12.80 C ATOM 573 CG PHE A 157 30.580 33.463 14.706 1.00 13.16 C ATOM 574 CD1 PHE A 157 30.837 34.175 15.881 1.00 12.71 C ATOM 575 CD2 PHE A 157 29.737 32.355 14.766 1.00 12.97 C ATOM 576 CE1 PHE A 157 30.261 33.791 17.094 1.00 12.88 C ATOM 577 CE2 PHE A 157 29.155 31.961 15.974 1.00 12.99 C ATOM 578 CZ PHE A 157 29.418 32.680 17.141 1.00 12.88 C ATOM 0 H PHE A 157 29.302 35.037 12.185 1.00 15.41 H new ATOM 0 HA PHE A 157 31.104 35.821 13.988 1.00 14.70 H new ATOM 0 HB2 PHE A 157 30.782 33.401 12.670 1.00 12.80 H new ATOM 0 HB3 PHE A 157 32.133 33.695 13.393 1.00 12.80 H new ATOM 0 HD1 PHE A 157 31.400 34.915 15.855 1.00 12.71 H new ATOM 0 HD2 PHE A 157 29.559 31.871 13.992 1.00 12.97 H new ATOM 0 HE1 PHE A 157 30.439 34.274 17.868 1.00 12.88 H new ATOM 0 HE2 PHE A 157 28.593 31.220 16.000 1.00 12.99 H new ATOM 0 HZ PHE A 157 29.033 32.420 17.947 1.00 12.88 H new ATOM 579 N ASP A 158 33.301 36.091 12.675 1.00 15.61 N ATOM 580 CA ASP A 158 34.388 36.737 11.943 1.00 15.30 C ATOM 581 C ASP A 158 35.592 35.917 11.488 1.00 15.71 C ATOM 582 O ASP A 158 36.678 36.476 11.322 1.00 16.63 O ATOM 583 CB ASP A 158 34.895 37.898 12.808 1.00 14.53 C ATOM 584 CG ASP A 158 35.234 37.460 14.237 1.00 14.64 C ATOM 585 OD1 ASP A 158 35.358 36.249 14.484 1.00 13.62 O ATOM 586 OD2 ASP A 158 35.367 38.316 15.127 1.00 16.52 O ATOM 0 H ASP A 158 33.530 35.785 13.445 1.00 15.61 H new ATOM 0 HA ASP A 158 33.975 36.982 11.100 1.00 15.30 H new ATOM 0 HB2 ASP A 158 35.683 38.284 12.396 1.00 14.53 H new ATOM 0 HB3 ASP A 158 34.220 38.594 12.838 1.00 14.53 H new ATOM 587 N GLY A 159 35.426 34.614 11.293 1.00 14.36 N ATOM 588 CA GLY A 159 36.554 33.799 10.871 1.00 14.71 C ATOM 589 C GLY A 159 37.465 33.421 12.027 1.00 15.08 C ATOM 590 O GLY A 159 37.104 33.636 13.194 1.00 15.21 O ATOM 0 H GLY A 159 34.685 34.191 11.397 1.00 14.36 H new ATOM 0 HA2 GLY A 159 36.225 32.992 10.446 1.00 14.71 H new ATOM 0 HA3 GLY A 159 37.067 34.282 10.204 1.00 14.71 H new ATOM 591 N PRO A 160 38.633 32.822 11.755 1.00 15.89 N ATOM 592 CA PRO A 160 39.580 32.414 12.798 1.00 15.51 C ATOM 593 C PRO A 160 40.001 33.576 13.701 1.00 15.20 C ATOM 594 O PRO A 160 40.240 34.686 13.224 1.00 16.60 O ATOM 595 CB PRO A 160 40.761 31.873 11.990 1.00 16.19 C ATOM 596 CG PRO A 160 40.116 31.381 10.728 1.00 16.44 C ATOM 597 CD PRO A 160 39.154 32.487 10.417 1.00 15.43 C ATOM 0 HA PRO A 160 39.200 31.767 13.413 1.00 15.51 H new ATOM 0 HB2 PRO A 160 41.419 32.563 11.811 1.00 16.19 H new ATOM 0 HB3 PRO A 160 41.220 31.159 12.460 1.00 16.19 H new ATOM 0 HG2 PRO A 160 40.763 31.252 10.017 1.00 16.44 H new ATOM 0 HG3 PRO A 160 39.664 30.533 10.858 1.00 16.44 H new ATOM 0 HD2 PRO A 160 39.593 33.244 9.998 1.00 15.43 H new ATOM 0 HD3 PRO A 160 38.451 32.198 9.815 1.00 15.43 H new ATOM 598 N GLY A 161 40.074 33.319 15.004 1.00 14.43 N ATOM 599 CA GLY A 161 40.460 34.354 15.953 1.00 14.40 C ATOM 600 C GLY A 161 39.368 35.356 16.293 1.00 13.59 C ATOM 601 O GLY A 161 38.186 35.141 15.971 1.00 12.66 O ATOM 0 H GLY A 161 39.904 32.553 15.357 1.00 14.43 H new ATOM 0 HA2 GLY A 161 40.755 33.928 16.773 1.00 14.40 H new ATOM 0 HA3 GLY A 161 41.221 34.836 15.593 1.00 14.40 H new ATOM 602 N ASN A 162 39.771 36.453 16.935 1.00 14.04 N ATOM 603 CA ASN A 162 38.867 37.527 17.355 1.00 14.43 C ATOM 604 C ASN A 162 37.722 36.961 18.204 1.00 12.87 C ATOM 605 O ASN A 162 37.990 36.308 19.212 1.00 14.09 O ATOM 606 CB ASN A 162 38.367 38.324 16.143 1.00 15.09 C ATOM 607 CG ASN A 162 39.470 39.143 15.483 1.00 18.25 C ATOM 608 OD1 ASN A 162 39.610 39.143 14.261 1.00 23.00 O ATOM 609 ND2 ASN A 162 40.255 39.840 16.288 1.00 17.50 N ATOM 0 H ASN A 162 40.593 36.597 17.143 1.00 14.04 H new ATOM 0 HA ASN A 162 39.355 38.151 17.915 1.00 14.43 H new ATOM 0 HB2 ASN A 162 37.989 37.712 15.492 1.00 15.09 H new ATOM 0 HB3 ASN A 162 37.652 38.917 16.423 1.00 15.09 H new ATOM 0 HD21 ASN A 162 40.892 40.316 15.961 1.00 17.50 H new ATOM 0 HD22 ASN A 162 40.128 39.817 17.138 1.00 17.50 H new ATOM 610 N VAL A 163 36.467 37.191 17.820 1.00 11.52 N ATOM 611 CA VAL A 163 35.331 36.659 18.582 1.00 11.61 C ATOM 612 C VAL A 163 35.299 35.123 18.469 1.00 11.27 C ATOM 613 O VAL A 163 35.301 34.566 17.355 1.00 12.14 O ATOM 614 CB VAL A 163 33.987 37.260 18.098 1.00 10.37 C ATOM 615 CG1 VAL A 163 32.816 36.612 18.829 1.00 11.74 C ATOM 616 CG2 VAL A 163 33.973 38.759 18.335 1.00 11.66 C ATOM 0 H VAL A 163 36.250 37.650 17.126 1.00 11.52 H new ATOM 0 HA VAL A 163 35.448 36.912 19.511 1.00 11.61 H new ATOM 0 HB VAL A 163 33.897 37.085 17.148 1.00 10.37 H new ATOM 0 HG11 VAL A 163 31.984 36.999 18.515 1.00 11.74 H new ATOM 0 HG12 VAL A 163 32.814 35.658 18.655 1.00 11.74 H new ATOM 0 HG13 VAL A 163 32.904 36.767 19.783 1.00 11.74 H new ATOM 0 HG21 VAL A 163 33.129 39.127 18.030 1.00 11.66 H new ATOM 0 HG22 VAL A 163 34.079 38.938 19.282 1.00 11.66 H new ATOM 0 HG23 VAL A 163 34.701 39.171 17.845 1.00 11.66 H new ATOM 617 N LEU A 164 35.312 34.449 19.615 1.00 10.20 N ATOM 618 CA LEU A 164 35.308 32.990 19.671 1.00 10.79 C ATOM 619 C LEU A 164 33.904 32.398 19.747 1.00 11.67 C ATOM 620 O LEU A 164 33.665 31.284 19.281 1.00 11.66 O ATOM 621 CB LEU A 164 36.116 32.507 20.878 1.00 10.91 C ATOM 622 CG LEU A 164 37.561 32.991 21.002 1.00 12.51 C ATOM 623 CD1 LEU A 164 38.178 32.418 22.264 1.00 13.51 C ATOM 624 CD2 LEU A 164 38.361 32.578 19.781 1.00 13.95 C ATOM 0 H LEU A 164 35.323 34.828 20.387 1.00 10.20 H new ATOM 0 HA LEU A 164 35.711 32.684 18.843 1.00 10.79 H new ATOM 0 HB2 LEU A 164 35.642 32.773 21.681 1.00 10.91 H new ATOM 0 HB3 LEU A 164 36.126 31.537 20.862 1.00 10.91 H new ATOM 0 HG LEU A 164 37.572 33.959 21.056 1.00 12.51 H new ATOM 0 HD11 LEU A 164 39.095 32.724 22.344 1.00 13.51 H new ATOM 0 HD12 LEU A 164 37.670 32.714 23.036 1.00 13.51 H new ATOM 0 HD13 LEU A 164 38.164 31.449 22.220 1.00 13.51 H new ATOM 0 HD21 LEU A 164 39.275 32.891 19.872 1.00 13.95 H new ATOM 0 HD22 LEU A 164 38.357 31.611 19.703 1.00 13.95 H new ATOM 0 HD23 LEU A 164 37.964 32.968 18.987 1.00 13.95 H new ATOM 625 N ALA A 165 32.983 33.146 20.335 1.00 11.00 N ATOM 626 CA ALA A 165 31.609 32.692 20.495 1.00 11.07 C ATOM 627 C ALA A 165 30.791 33.843 21.057 1.00 11.72 C ATOM 628 O ALA A 165 31.342 34.897 21.392 1.00 11.32 O ATOM 629 CB ALA A 165 31.573 31.512 21.472 1.00 11.57 C ATOM 0 H ALA A 165 33.135 33.931 20.653 1.00 11.00 H new ATOM 0 HA ALA A 165 31.246 32.408 19.642 1.00 11.07 H new ATOM 0 HB1 ALA A 165 30.658 31.208 21.580 1.00 11.57 H new ATOM 0 HB2 ALA A 165 32.115 30.787 21.124 1.00 11.57 H new ATOM 0 HB3 ALA A 165 31.923 31.793 22.332 1.00 11.57 H new ATOM 630 N HIS A 166 29.474 33.662 21.111 1.00 11.52 N ATOM 631 CA HIS A 166 28.588 34.663 21.695 1.00 10.90 C ATOM 632 C HIS A 166 27.345 34.007 22.274 1.00 10.38 C ATOM 633 O HIS A 166 26.881 32.986 21.769 1.00 10.54 O ATOM 634 CB HIS A 166 28.260 35.843 20.743 1.00 11.51 C ATOM 635 CG HIS A 166 27.604 35.468 19.442 1.00 11.81 C ATOM 636 ND1 HIS A 166 27.934 36.044 18.234 1.00 11.27 N ATOM 637 CD2 HIS A 166 26.570 34.629 19.172 1.00 11.50 C ATOM 638 CE1 HIS A 166 27.117 35.563 17.292 1.00 12.12 C ATOM 639 NE2 HIS A 166 26.256 34.691 17.792 1.00 13.32 N ATOM 0 H HIS A 166 29.073 32.962 20.813 1.00 11.52 H new ATOM 0 HA HIS A 166 29.075 35.075 22.426 1.00 10.90 H new ATOM 0 HB2 HIS A 166 27.680 36.464 21.212 1.00 11.51 H new ATOM 0 HB3 HIS A 166 29.083 36.317 20.546 1.00 11.51 H new ATOM 0 HD1 HIS A 166 28.562 36.618 18.107 1.00 11.27 H new ATOM 0 HD2 HIS A 166 26.135 34.096 19.797 1.00 11.50 H new ATOM 0 HE1 HIS A 166 27.149 35.810 16.396 1.00 12.12 H new ATOM 640 N ALA A 167 26.869 34.542 23.390 1.00 11.62 N ATOM 641 CA ALA A 167 25.691 34.003 24.050 1.00 11.25 C ATOM 642 C ALA A 167 24.769 35.141 24.435 1.00 12.03 C ATOM 643 O ALA A 167 25.221 36.249 24.724 1.00 12.54 O ATOM 644 CB ALA A 167 26.088 33.193 25.279 1.00 10.94 C ATOM 0 H ALA A 167 27.217 35.223 23.783 1.00 11.62 H new ATOM 0 HA ALA A 167 25.227 33.409 23.440 1.00 11.25 H new ATOM 0 HB1 ALA A 167 25.291 32.841 25.706 1.00 10.94 H new ATOM 0 HB2 ALA A 167 26.662 32.458 25.011 1.00 10.94 H new ATOM 0 HB3 ALA A 167 26.564 33.763 25.903 1.00 10.94 H new ATOM 645 N TYR A 168 23.474 34.858 24.438 1.00 11.64 N ATOM 646 CA TYR A 168 22.464 35.851 24.765 1.00 12.16 C ATOM 647 C TYR A 168 21.946 35.725 26.192 1.00 11.92 C ATOM 648 O TYR A 168 21.839 34.624 26.734 1.00 12.91 O ATOM 649 CB TYR A 168 21.303 35.746 23.774 1.00 12.22 C ATOM 650 CG TYR A 168 21.709 35.989 22.336 1.00 12.89 C ATOM 651 CD1 TYR A 168 22.147 34.941 21.523 1.00 11.79 C ATOM 652 CD2 TYR A 168 21.643 37.268 21.783 1.00 13.24 C ATOM 653 CE1 TYR A 168 22.503 35.163 20.191 1.00 12.46 C ATOM 654 CE2 TYR A 168 21.998 37.500 20.451 1.00 15.52 C ATOM 655 CZ TYR A 168 22.426 36.442 19.664 1.00 13.35 C ATOM 656 OH TYR A 168 22.760 36.668 18.350 1.00 13.42 O ATOM 0 H TYR A 168 23.156 34.082 24.250 1.00 11.64 H new ATOM 0 HA TYR A 168 22.886 36.722 24.698 1.00 12.16 H new ATOM 0 HB2 TYR A 168 20.906 34.864 23.845 1.00 12.22 H new ATOM 0 HB3 TYR A 168 20.618 36.387 24.021 1.00 12.22 H new ATOM 0 HD1 TYR A 168 22.202 34.082 21.874 1.00 11.79 H new ATOM 0 HD2 TYR A 168 21.358 37.979 22.310 1.00 13.24 H new ATOM 0 HE1 TYR A 168 22.790 34.456 19.660 1.00 12.46 H new ATOM 0 HE2 TYR A 168 21.947 38.358 20.095 1.00 15.52 H new ATOM 0 HH TYR A 168 22.917 35.935 17.970 1.00 13.42 H new ATOM 657 N ALA A 169 21.618 36.864 26.788 1.00 13.22 N ATOM 658 CA ALA A 169 21.099 36.915 28.151 1.00 13.98 C ATOM 659 C ALA A 169 19.758 36.175 28.243 1.00 14.83 C ATOM 660 O ALA A 169 19.101 35.936 27.222 1.00 14.93 O ATOM 661 CB ALA A 169 20.940 38.372 28.586 1.00 13.60 C ATOM 0 H ALA A 169 21.690 37.634 26.412 1.00 13.22 H new ATOM 0 HA ALA A 169 21.727 36.475 28.746 1.00 13.98 H new ATOM 0 HB1 ALA A 169 20.595 38.404 29.492 1.00 13.60 H new ATOM 0 HB2 ALA A 169 21.802 38.816 28.553 1.00 13.60 H new ATOM 0 HB3 ALA A 169 20.322 38.822 27.989 1.00 13.60 H new ATOM 662 N PRO A 170 19.333 35.807 29.465 1.00 15.19 N ATOM 663 CA PRO A 170 18.071 35.092 29.694 1.00 16.08 C ATOM 664 C PRO A 170 16.856 35.711 29.014 1.00 15.45 C ATOM 665 O PRO A 170 16.739 36.935 28.906 1.00 16.47 O ATOM 666 CB PRO A 170 17.930 35.132 31.214 1.00 16.34 C ATOM 667 CG PRO A 170 19.350 35.080 31.678 1.00 15.74 C ATOM 668 CD PRO A 170 20.034 36.049 30.740 1.00 14.98 C ATOM 0 HA PRO A 170 18.100 34.201 29.313 1.00 16.08 H new ATOM 0 HB2 PRO A 170 17.483 35.939 31.513 1.00 16.34 H new ATOM 0 HB3 PRO A 170 17.414 34.381 31.548 1.00 16.34 H new ATOM 0 HG2 PRO A 170 19.438 35.352 32.605 1.00 15.74 H new ATOM 0 HG3 PRO A 170 19.721 34.186 31.608 1.00 15.74 H new ATOM 0 HD2 PRO A 170 19.938 36.968 31.036 1.00 14.98 H new ATOM 0 HD3 PRO A 170 20.985 35.872 30.669 1.00 14.98 H new ATOM 669 N GLY A 171 15.946 34.845 28.580 1.00 17.52 N ATOM 670 CA GLY A 171 14.729 35.279 27.916 1.00 17.10 C ATOM 671 C GLY A 171 14.260 34.233 26.920 1.00 17.47 C ATOM 672 O GLY A 171 14.907 33.194 26.773 1.00 17.31 O ATOM 0 H GLY A 171 16.019 33.992 28.663 1.00 17.52 H new ATOM 0 HA2 GLY A 171 14.035 35.440 28.575 1.00 17.10 H new ATOM 0 HA3 GLY A 171 14.886 36.120 27.459 1.00 17.10 H new ATOM 673 N PRO A 172 13.126 34.459 26.238 1.00 19.06 N ATOM 674 CA PRO A 172 12.580 33.519 25.251 1.00 18.17 C ATOM 675 C PRO A 172 13.279 33.607 23.898 1.00 17.09 C ATOM 676 O PRO A 172 14.082 34.512 23.657 1.00 17.34 O ATOM 677 CB PRO A 172 11.123 33.962 25.140 1.00 19.48 C ATOM 678 CG PRO A 172 11.232 35.448 25.289 1.00 19.81 C ATOM 679 CD PRO A 172 12.201 35.588 26.452 1.00 19.87 C ATOM 0 HA PRO A 172 12.696 32.594 25.520 1.00 18.17 H new ATOM 0 HB2 PRO A 172 10.732 33.711 24.289 1.00 19.48 H new ATOM 0 HB3 PRO A 172 10.571 33.568 25.833 1.00 19.48 H new ATOM 0 HG2 PRO A 172 11.571 35.868 24.483 1.00 19.81 H new ATOM 0 HG3 PRO A 172 10.374 35.856 25.482 1.00 19.81 H new ATOM 0 HD2 PRO A 172 12.663 36.441 26.436 1.00 19.87 H new ATOM 0 HD3 PRO A 172 11.749 35.526 27.308 1.00 19.87 H new ATOM 680 N GLY A 173 12.979 32.650 23.027 1.00 16.36 N ATOM 681 CA GLY A 173 13.558 32.634 21.698 1.00 16.78 C ATOM 682 C GLY A 173 15.068 32.524 21.666 1.00 16.44 C ATOM 683 O GLY A 173 15.659 31.649 22.314 1.00 17.10 O ATOM 0 H GLY A 173 12.440 32.000 23.190 1.00 16.36 H new ATOM 0 HA2 GLY A 173 13.181 31.889 21.203 1.00 16.78 H new ATOM 0 HA3 GLY A 173 13.295 33.444 21.234 1.00 16.78 H new ATOM 684 N ILE A 174 15.703 33.421 20.921 1.00 15.90 N ATOM 685 CA ILE A 174 17.154 33.415 20.798 1.00 16.13 C ATOM 686 C ILE A 174 17.853 33.718 22.130 1.00 15.32 C ATOM 687 O ILE A 174 19.000 33.326 22.343 1.00 14.50 O ATOM 688 CB ILE A 174 17.633 34.391 19.698 1.00 15.88 C ATOM 689 CG1 ILE A 174 19.083 34.077 19.324 1.00 17.07 C ATOM 690 CG2 ILE A 174 17.486 35.834 20.160 1.00 16.67 C ATOM 691 CD1 ILE A 174 19.622 34.917 18.195 1.00 18.75 C ATOM 0 H ILE A 174 15.310 34.044 20.477 1.00 15.90 H new ATOM 0 HA ILE A 174 17.404 32.515 20.537 1.00 16.13 H new ATOM 0 HB ILE A 174 17.079 34.277 18.910 1.00 15.88 H new ATOM 0 HG12 ILE A 174 19.643 34.204 20.105 1.00 17.07 H new ATOM 0 HG13 ILE A 174 19.148 33.141 19.078 1.00 17.07 H new ATOM 0 HG21 ILE A 174 17.791 36.431 19.459 1.00 16.67 H new ATOM 0 HG22 ILE A 174 16.554 36.017 20.358 1.00 16.67 H new ATOM 0 HG23 ILE A 174 18.019 35.974 20.958 1.00 16.67 H new ATOM 0 HD11 ILE A 174 20.541 34.664 18.014 1.00 18.75 H new ATOM 0 HD12 ILE A 174 19.085 34.774 17.400 1.00 18.75 H new ATOM 0 HD13 ILE A 174 19.588 35.854 18.444 1.00 18.75 H new ATOM 692 N ASN A 175 17.158 34.386 23.043 1.00 14.11 N ATOM 693 CA ASN A 175 17.756 34.697 24.329 1.00 14.49 C ATOM 694 C ASN A 175 18.123 33.414 25.071 1.00 13.56 C ATOM 695 O ASN A 175 17.414 32.400 24.983 1.00 13.23 O ATOM 696 CB ASN A 175 16.830 35.587 25.149 1.00 15.88 C ATOM 697 CG ASN A 175 16.806 37.016 24.638 1.00 19.68 C ATOM 698 OD1 ASN A 175 15.996 37.372 23.783 1.00 22.34 O ATOM 699 ND2 ASN A 175 17.718 37.836 25.142 1.00 23.27 N ATOM 0 H ASN A 175 16.351 34.664 22.938 1.00 14.11 H new ATOM 0 HA ASN A 175 18.577 35.193 24.183 1.00 14.49 H new ATOM 0 HB2 ASN A 175 15.931 35.223 25.127 1.00 15.88 H new ATOM 0 HB3 ASN A 175 17.116 35.582 26.076 1.00 15.88 H new ATOM 0 HD21 ASN A 175 17.759 38.652 24.872 1.00 23.27 H new ATOM 0 HD22 ASN A 175 18.268 37.552 25.739 1.00 23.27 H new ATOM 700 N GLY A 176 19.282 33.432 25.718 1.00 11.91 N ATOM 701 CA GLY A 176 19.755 32.264 26.435 1.00 12.12 C ATOM 702 C GLY A 176 20.586 31.336 25.562 1.00 11.96 C ATOM 703 O GLY A 176 21.278 30.467 26.082 1.00 12.48 O ATOM 0 H GLY A 176 19.807 34.112 25.752 1.00 11.91 H new ATOM 0 HA2 GLY A 176 20.286 32.549 27.195 1.00 12.12 H new ATOM 0 HA3 GLY A 176 18.995 31.776 26.787 1.00 12.12 H new ATOM 704 N ASP A 177 20.529 31.513 24.243 1.00 11.96 N ATOM 705 CA ASP A 177 21.279 30.660 23.317 1.00 12.32 C ATOM 706 C ASP A 177 22.776 30.975 23.285 1.00 12.00 C ATOM 707 O ASP A 177 23.195 32.094 23.595 1.00 12.39 O ATOM 708 CB ASP A 177 20.694 30.737 21.900 1.00 10.94 C ATOM 709 CG ASP A 177 19.262 30.217 21.821 1.00 12.11 C ATOM 710 OD1 ASP A 177 18.732 29.721 22.834 1.00 13.45 O ATOM 711 OD2 ASP A 177 18.663 30.294 20.734 1.00 13.77 O ATOM 0 H ASP A 177 20.060 32.124 23.861 1.00 11.96 H new ATOM 0 HA ASP A 177 21.187 29.755 23.654 1.00 12.32 H new ATOM 0 HB2 ASP A 177 20.716 31.658 21.595 1.00 10.94 H new ATOM 0 HB3 ASP A 177 21.253 30.224 21.296 1.00 10.94 H new ATOM 712 N ALA A 178 23.570 29.973 22.924 1.00 11.38 N ATOM 713 CA ALA A 178 25.021 30.104 22.856 1.00 12.07 C ATOM 714 C ALA A 178 25.514 29.571 21.517 1.00 12.30 C ATOM 715 O ALA A 178 25.225 28.426 21.154 1.00 13.22 O ATOM 716 CB ALA A 178 25.673 29.331 24.005 1.00 12.58 C ATOM 0 H ALA A 178 23.280 29.192 22.710 1.00 11.38 H new ATOM 0 HA ALA A 178 25.264 31.040 22.937 1.00 12.07 H new ATOM 0 HB1 ALA A 178 26.637 29.424 23.952 1.00 12.58 H new ATOM 0 HB2 ALA A 178 25.361 29.686 24.852 1.00 12.58 H new ATOM 0 HB3 ALA A 178 25.435 28.393 23.940 1.00 12.58 H new ATOM 717 N HIS A 179 26.231 30.411 20.776 1.00 12.14 N ATOM 718 CA HIS A 179 26.766 30.037 19.468 1.00 11.35 C ATOM 719 C HIS A 179 28.281 30.044 19.544 1.00 11.02 C ATOM 720 O HIS A 179 28.870 30.971 20.103 1.00 11.27 O ATOM 721 CB HIS A 179 26.314 31.029 18.387 1.00 11.20 C ATOM 722 CG HIS A 179 24.830 31.197 18.295 1.00 12.36 C ATOM 723 ND1 HIS A 179 24.264 32.307 17.710 1.00 13.71 N ATOM 724 CD2 HIS A 179 23.846 30.379 18.750 1.00 11.37 C ATOM 725 CE1 HIS A 179 22.956 32.136 17.825 1.00 13.13 C ATOM 726 NE2 HIS A 179 22.660 30.988 18.446 1.00 12.76 N ATOM 0 H HIS A 179 26.422 31.214 21.017 1.00 12.14 H new ATOM 0 HA HIS A 179 26.437 29.155 19.234 1.00 11.35 H new ATOM 0 HB2 HIS A 179 26.717 31.893 18.565 1.00 11.20 H new ATOM 0 HB3 HIS A 179 26.650 30.731 17.527 1.00 11.20 H new ATOM 0 HD2 HIS A 179 23.957 29.564 19.184 1.00 11.37 H new ATOM 0 HE1 HIS A 179 22.321 32.739 17.513 1.00 13.13 H new ATOM 0 HE2 HIS A 179 21.873 30.690 18.621 1.00 12.76 H new ATOM 727 N PHE A 180 28.902 29.017 18.973 1.00 10.95 N ATOM 728 CA PHE A 180 30.353 28.886 18.961 1.00 11.12 C ATOM 729 C PHE A 180 30.869 29.020 17.535 1.00 12.04 C ATOM 730 O PHE A 180 30.333 28.391 16.614 1.00 12.01 O ATOM 731 CB PHE A 180 30.765 27.532 19.547 1.00 11.58 C ATOM 732 CG PHE A 180 30.404 27.369 20.996 1.00 12.47 C ATOM 733 CD1 PHE A 180 29.118 26.990 21.366 1.00 13.84 C ATOM 734 CD2 PHE A 180 31.340 27.631 21.992 1.00 12.23 C ATOM 735 CE1 PHE A 180 28.768 26.879 22.706 1.00 13.55 C ATOM 736 CE2 PHE A 180 31.001 27.522 23.332 1.00 11.47 C ATOM 737 CZ PHE A 180 29.713 27.146 23.689 1.00 14.81 C ATOM 0 H PHE A 180 28.490 28.373 18.579 1.00 10.95 H new ATOM 0 HA PHE A 180 30.740 29.590 19.505 1.00 11.12 H new ATOM 0 HB2 PHE A 180 30.343 26.825 19.035 1.00 11.58 H new ATOM 0 HB3 PHE A 180 31.723 27.422 19.446 1.00 11.58 H new ATOM 0 HD1 PHE A 180 28.485 26.809 20.709 1.00 13.84 H new ATOM 0 HD2 PHE A 180 32.204 27.882 21.756 1.00 12.23 H new ATOM 0 HE1 PHE A 180 27.905 26.627 22.944 1.00 13.55 H new ATOM 0 HE2 PHE A 180 31.634 27.700 23.989 1.00 11.47 H new ATOM 0 HZ PHE A 180 29.483 27.073 24.587 1.00 14.81 H new ATOM 738 N ASP A 181 31.891 29.853 17.351 1.00 11.17 N ATOM 739 CA ASP A 181 32.469 30.072 16.030 1.00 10.84 C ATOM 740 C ASP A 181 33.251 28.837 15.590 1.00 11.09 C ATOM 741 O ASP A 181 34.324 28.545 16.122 1.00 10.69 O ATOM 742 CB ASP A 181 33.388 31.299 16.042 1.00 11.16 C ATOM 743 CG ASP A 181 33.769 31.770 14.642 1.00 10.89 C ATOM 744 OD1 ASP A 181 33.622 31.012 13.664 1.00 11.57 O ATOM 745 OD2 ASP A 181 34.203 32.927 14.515 1.00 12.28 O ATOM 0 H ASP A 181 32.265 30.302 17.982 1.00 11.17 H new ATOM 0 HA ASP A 181 31.749 30.232 15.400 1.00 10.84 H new ATOM 0 HB2 ASP A 181 32.947 32.023 16.513 1.00 11.16 H new ATOM 0 HB3 ASP A 181 34.195 31.088 16.538 1.00 11.16 H new ATOM 746 N ASP A 182 32.736 28.126 14.593 1.00 11.96 N ATOM 747 CA ASP A 182 33.416 26.933 14.133 1.00 13.02 C ATOM 748 C ASP A 182 34.647 27.211 13.276 1.00 13.69 C ATOM 749 O ASP A 182 35.318 26.277 12.840 1.00 13.49 O ATOM 750 CB ASP A 182 32.459 25.949 13.456 1.00 11.34 C ATOM 751 CG ASP A 182 32.779 24.496 13.795 1.00 11.71 C ATOM 752 OD1 ASP A 182 33.832 24.226 14.418 1.00 12.92 O ATOM 753 OD2 ASP A 182 31.975 23.614 13.443 1.00 15.17 O ATOM 0 H ASP A 182 32.007 28.316 14.179 1.00 11.96 H new ATOM 0 HA ASP A 182 33.753 26.508 14.937 1.00 13.02 H new ATOM 0 HB2 ASP A 182 31.549 26.149 13.727 1.00 11.34 H new ATOM 0 HB3 ASP A 182 32.501 26.071 12.495 1.00 11.34 H new ATOM 754 N ASP A 183 34.954 28.477 13.020 1.00 13.20 N ATOM 755 CA ASP A 183 36.172 28.767 12.284 1.00 13.90 C ATOM 756 C ASP A 183 37.340 28.655 13.271 1.00 14.24 C ATOM 757 O ASP A 183 38.503 28.775 12.889 1.00 15.14 O ATOM 758 CB ASP A 183 36.123 30.120 11.578 1.00 14.87 C ATOM 759 CG ASP A 183 35.589 30.014 10.151 1.00 14.82 C ATOM 760 OD1 ASP A 183 35.803 28.970 9.500 1.00 15.40 O ATOM 761 OD2 ASP A 183 34.953 30.976 9.679 1.00 15.69 O ATOM 0 H ASP A 183 34.488 29.160 13.255 1.00 13.20 H new ATOM 0 HA ASP A 183 36.286 28.126 11.565 1.00 13.90 H new ATOM 0 HB2 ASP A 183 35.562 30.727 12.086 1.00 14.87 H new ATOM 0 HB3 ASP A 183 37.013 30.505 11.560 1.00 14.87 H new ATOM 762 N GLU A 184 37.014 28.446 14.549 1.00 13.48 N ATOM 763 CA GLU A 184 38.031 28.226 15.573 1.00 13.06 C ATOM 764 C GLU A 184 38.256 26.721 15.599 1.00 13.25 C ATOM 765 O GLU A 184 37.375 25.942 15.202 1.00 13.39 O ATOM 766 CB GLU A 184 37.547 28.608 16.980 1.00 13.66 C ATOM 767 CG GLU A 184 36.949 29.977 17.143 1.00 13.42 C ATOM 768 CD GLU A 184 37.793 31.079 16.546 1.00 15.44 C ATOM 769 OE1 GLU A 184 39.040 30.998 16.521 1.00 15.41 O ATOM 770 OE2 GLU A 184 37.184 32.048 16.097 1.00 16.23 O ATOM 0 H GLU A 184 36.206 28.428 14.842 1.00 13.48 H new ATOM 0 HA GLU A 184 38.813 28.760 15.363 1.00 13.06 H new ATOM 0 HB2 GLU A 184 36.887 27.955 17.260 1.00 13.66 H new ATOM 0 HB3 GLU A 184 38.298 28.532 17.589 1.00 13.66 H new ATOM 0 HG2 GLU A 184 36.072 29.990 16.728 1.00 13.42 H new ATOM 0 HG3 GLU A 184 36.819 30.155 18.088 1.00 13.42 H new ATOM 771 N GLN A 185 39.420 26.306 16.078 1.00 14.67 N ATOM 772 CA GLN A 185 39.728 24.893 16.201 1.00 14.15 C ATOM 773 C GLN A 185 39.470 24.547 17.666 1.00 13.01 C ATOM 774 O GLN A 185 40.247 24.907 18.553 1.00 15.09 O ATOM 775 CB GLN A 185 41.183 24.611 15.818 1.00 15.55 C ATOM 776 CG GLN A 185 41.581 23.135 15.937 1.00 20.20 C ATOM 777 CD GLN A 185 40.797 22.210 15.008 1.00 22.60 C ATOM 778 OE1 GLN A 185 40.219 22.648 14.010 1.00 26.21 O ATOM 779 NE2 GLN A 185 40.774 20.922 15.338 1.00 25.09 N ATOM 0 H GLN A 185 40.048 26.832 16.339 1.00 14.67 H new ATOM 0 HA GLN A 185 39.184 24.355 15.605 1.00 14.15 H new ATOM 0 HB2 GLN A 185 41.331 24.904 14.905 1.00 15.55 H new ATOM 0 HB3 GLN A 185 41.766 25.141 16.384 1.00 15.55 H new ATOM 0 HG2 GLN A 185 42.528 23.047 15.744 1.00 20.20 H new ATOM 0 HG3 GLN A 185 41.450 22.846 16.854 1.00 20.20 H new ATOM 0 HE21 GLN A 185 41.188 20.651 16.041 1.00 25.09 H new ATOM 0 HE22 GLN A 185 40.345 20.360 14.848 1.00 25.09 H new ATOM 780 N TRP A 186 38.324 23.928 17.914 1.00 12.85 N ATOM 781 CA TRP A 186 37.920 23.540 19.256 1.00 13.67 C ATOM 782 C TRP A 186 38.660 22.297 19.718 1.00 15.02 C ATOM 783 O TRP A 186 38.737 21.299 18.993 1.00 15.60 O ATOM 784 CB TRP A 186 36.403 23.335 19.304 1.00 12.28 C ATOM 785 CG TRP A 186 35.677 24.601 19.012 1.00 11.58 C ATOM 786 CD1 TRP A 186 35.062 24.947 17.842 1.00 11.47 C ATOM 787 CD2 TRP A 186 35.586 25.744 19.867 1.00 12.62 C ATOM 788 NE1 TRP A 186 34.608 26.242 17.913 1.00 12.17 N ATOM 789 CE2 TRP A 186 34.917 26.757 19.146 1.00 12.04 C ATOM 790 CE3 TRP A 186 36.014 26.016 21.175 1.00 12.67 C ATOM 791 CZ2 TRP A 186 34.662 28.022 19.682 1.00 12.13 C ATOM 792 CZ3 TRP A 186 35.760 27.274 21.713 1.00 13.97 C ATOM 793 CH2 TRP A 186 35.090 28.263 20.963 1.00 14.02 C ATOM 0 H TRP A 186 37.755 23.720 17.304 1.00 12.85 H new ATOM 0 HA TRP A 186 38.155 24.255 19.868 1.00 13.67 H new ATOM 0 HB2 TRP A 186 36.146 22.656 18.661 1.00 12.28 H new ATOM 0 HB3 TRP A 186 36.146 23.007 20.180 1.00 12.28 H new ATOM 0 HD1 TRP A 186 34.965 24.388 17.105 1.00 11.47 H new ATOM 0 HE1 TRP A 186 34.196 26.662 17.285 1.00 12.17 H new ATOM 0 HE3 TRP A 186 36.459 25.368 21.673 1.00 12.67 H new ATOM 0 HZ2 TRP A 186 34.219 28.675 19.190 1.00 12.13 H new ATOM 0 HZ3 TRP A 186 36.036 27.466 22.580 1.00 13.97 H new ATOM 0 HH2 TRP A 186 34.935 29.097 21.345 1.00 14.02 H new ATOM 794 N THR A 187 39.210 22.369 20.923 1.00 15.69 N ATOM 795 CA THR A 187 39.968 21.266 21.487 1.00 18.30 C ATOM 796 C THR A 187 39.456 20.863 22.862 1.00 18.65 C ATOM 797 O THR A 187 38.635 21.554 23.471 1.00 16.38 O ATOM 798 CB THR A 187 41.452 21.651 21.645 1.00 18.36 C ATOM 799 OG1 THR A 187 41.555 22.764 22.539 1.00 20.51 O ATOM 800 CG2 THR A 187 42.058 22.032 20.308 1.00 20.13 C ATOM 0 H THR A 187 39.154 23.058 21.435 1.00 15.69 H new ATOM 0 HA THR A 187 39.864 20.524 20.871 1.00 18.30 H new ATOM 0 HB THR A 187 41.934 20.887 21.998 1.00 18.36 H new ATOM 0 HG1 THR A 187 42.288 23.156 22.416 1.00 20.51 H new ATOM 0 HG21 THR A 187 42.990 22.270 20.431 1.00 20.13 H new ATOM 0 HG22 THR A 187 41.994 21.281 19.698 1.00 20.13 H new ATOM 0 HG23 THR A 187 41.577 22.789 19.939 1.00 20.13 H new ATOM 801 N LYS A 188 39.934 19.722 23.340 1.00 23.14 N ATOM 802 CA LYS A 188 39.560 19.240 24.660 1.00 27.32 C ATOM 803 C LYS A 188 40.743 19.369 25.618 1.00 28.27 C ATOM 804 O LYS A 188 40.624 19.069 26.803 1.00 29.93 O ATOM 805 CB LYS A 188 39.044 17.799 24.606 1.00 30.10 C ATOM 806 CG LYS A 188 40.046 16.759 24.137 1.00 35.45 C ATOM 807 CD LYS A 188 39.454 15.364 24.285 1.00 40.37 C ATOM 808 CE LYS A 188 40.454 14.274 23.929 1.00 44.14 C ATOM 809 NZ LYS A 188 39.882 12.915 24.172 1.00 46.60 N ATOM 0 H LYS A 188 40.478 19.211 22.914 1.00 23.14 H new ATOM 0 HA LYS A 188 38.833 19.790 24.991 1.00 27.32 H new ATOM 0 HB2 LYS A 188 38.734 17.550 25.491 1.00 30.10 H new ATOM 0 HB3 LYS A 188 38.273 17.770 24.018 1.00 30.10 H new ATOM 0 HG2 LYS A 188 40.283 16.922 23.211 1.00 35.45 H new ATOM 0 HG3 LYS A 188 40.863 16.829 24.655 1.00 35.45 H new ATOM 0 HD2 LYS A 188 39.152 15.238 25.198 1.00 40.37 H new ATOM 0 HD3 LYS A 188 38.674 15.283 23.715 1.00 40.37 H new ATOM 0 HE2 LYS A 188 40.710 14.358 22.997 1.00 44.14 H new ATOM 0 HE3 LYS A 188 41.261 14.387 24.456 1.00 44.14 H new ATOM 0 HZ1 LYS A 188 40.484 12.296 23.957 1.00 46.60 H new ATOM 0 HZ2 LYS A 188 39.667 12.833 25.032 1.00 46.60 H new ATOM 0 HZ3 LYS A 188 39.154 12.806 23.672 1.00 46.60 H new ATOM 810 N ASP A 189 41.877 19.835 25.102 1.00 29.96 N ATOM 811 CA ASP A 189 43.067 20.025 25.920 1.00 33.92 C ATOM 812 C ASP A 189 43.482 21.497 26.021 1.00 35.88 C ATOM 813 O ASP A 189 42.720 22.392 25.657 1.00 36.55 O ATOM 814 CB ASP A 189 44.234 19.145 25.439 1.00 35.57 C ATOM 815 CG ASP A 189 44.614 19.386 23.982 1.00 38.05 C ATOM 816 OD1 ASP A 189 44.385 20.490 23.445 1.00 39.65 O ATOM 817 OD2 ASP A 189 45.171 18.450 23.372 1.00 41.03 O ATOM 0 H ASP A 189 41.977 20.048 24.275 1.00 29.96 H new ATOM 0 HA ASP A 189 42.832 19.739 26.816 1.00 33.92 H new ATOM 0 HB2 ASP A 189 45.008 19.311 26.000 1.00 35.57 H new ATOM 0 HB3 ASP A 189 43.995 18.212 25.554 1.00 35.57 H new ATOM 818 N THR A 190 44.704 21.731 26.482 1.00 38.22 N ATOM 819 CA THR A 190 45.235 23.075 26.675 1.00 41.53 C ATOM 820 C THR A 190 45.603 23.866 25.413 1.00 41.94 C ATOM 821 O THR A 190 45.718 25.095 25.459 1.00 43.00 O ATOM 822 CB THR A 190 46.448 23.015 27.622 1.00 43.06 C ATOM 823 OG1 THR A 190 47.367 22.017 27.154 1.00 45.45 O ATOM 824 CG2 THR A 190 45.997 22.640 29.036 1.00 42.61 C ATOM 0 H THR A 190 45.256 21.106 26.694 1.00 38.22 H new ATOM 0 HA THR A 190 44.494 23.572 27.055 1.00 41.53 H new ATOM 0 HB THR A 190 46.875 23.886 27.639 1.00 43.06 H new ATOM 0 HG1 THR A 190 48.030 21.983 27.668 1.00 45.45 H new ATOM 0 HG21 THR A 190 46.768 22.605 29.623 1.00 42.61 H new ATOM 0 HG22 THR A 190 45.372 23.305 29.363 1.00 42.61 H new ATOM 0 HG23 THR A 190 45.565 21.772 29.018 1.00 42.61 H new ATOM 825 N THR A 191 45.812 23.168 24.301 1.00 41.27 N ATOM 826 CA THR A 191 46.173 23.817 23.044 1.00 41.16 C ATOM 827 C THR A 191 44.929 24.341 22.331 1.00 38.97 C ATOM 828 O THR A 191 43.810 24.044 22.736 1.00 39.91 O ATOM 829 CB THR A 191 46.904 22.835 22.104 1.00 42.96 C ATOM 830 OG1 THR A 191 46.004 21.791 21.697 1.00 43.16 O ATOM 831 CG2 THR A 191 48.109 22.216 22.815 1.00 43.94 C ATOM 0 H THR A 191 45.749 22.312 24.253 1.00 41.27 H new ATOM 0 HA THR A 191 46.763 24.556 23.260 1.00 41.16 H new ATOM 0 HB THR A 191 47.212 23.323 21.324 1.00 42.96 H new ATOM 0 HG1 THR A 191 45.596 21.495 22.369 1.00 43.16 H new ATOM 0 HG21 THR A 191 48.559 21.602 22.214 1.00 43.94 H new ATOM 0 HG22 THR A 191 48.724 22.918 23.080 1.00 43.94 H new ATOM 0 HG23 THR A 191 47.809 21.736 23.602 1.00 43.94 H new ATOM 832 N GLY A 192 45.130 25.104 21.261 1.00 36.39 N ATOM 833 CA GLY A 192 44.007 25.639 20.513 1.00 31.83 C ATOM 834 C GLY A 192 43.016 26.387 21.381 1.00 27.63 C ATOM 835 O GLY A 192 43.399 27.100 22.310 1.00 28.69 O ATOM 0 H GLY A 192 45.904 25.321 20.956 1.00 36.39 H new ATOM 0 HA2 GLY A 192 44.339 26.235 19.824 1.00 31.83 H new ATOM 0 HA3 GLY A 192 43.550 24.912 20.063 1.00 31.83 H new ATOM 836 N THR A 193 41.738 26.227 21.068 1.00 23.79 N ATOM 837 CA THR A 193 40.678 26.882 21.813 1.00 19.78 C ATOM 838 C THR A 193 39.888 25.804 22.543 1.00 16.95 C ATOM 839 O THR A 193 39.151 25.035 21.925 1.00 16.44 O ATOM 840 CB THR A 193 39.752 27.663 20.862 1.00 19.98 C ATOM 841 OG1 THR A 193 40.550 28.399 19.926 1.00 21.68 O ATOM 842 CG2 THR A 193 38.886 28.642 21.647 1.00 20.22 C ATOM 0 H THR A 193 41.462 25.736 20.418 1.00 23.79 H new ATOM 0 HA THR A 193 41.056 27.514 22.444 1.00 19.78 H new ATOM 0 HB THR A 193 39.179 27.033 20.397 1.00 19.98 H new ATOM 0 HG1 THR A 193 40.355 29.215 19.971 1.00 21.68 H new ATOM 0 HG21 THR A 193 38.309 29.126 21.036 1.00 20.22 H new ATOM 0 HG22 THR A 193 38.343 28.154 22.286 1.00 20.22 H new ATOM 0 HG23 THR A 193 39.454 29.270 22.120 1.00 20.22 H new ATOM 843 N ASN A 194 40.065 25.742 23.858 1.00 15.50 N ATOM 844 CA ASN A 194 39.387 24.747 24.679 1.00 13.21 C ATOM 845 C ASN A 194 37.875 24.972 24.759 1.00 12.67 C ATOM 846 O ASN A 194 37.411 26.009 25.247 1.00 11.77 O ATOM 847 CB ASN A 194 40.002 24.714 26.075 1.00 13.37 C ATOM 848 CG ASN A 194 39.444 23.602 26.919 1.00 13.90 C ATOM 849 OD1 ASN A 194 38.422 23.767 27.578 1.00 16.20 O ATOM 850 ND2 ASN A 194 40.091 22.451 26.885 1.00 14.26 N ATOM 0 H ASN A 194 40.579 26.273 24.298 1.00 15.50 H new ATOM 0 HA ASN A 194 39.514 23.887 24.249 1.00 13.21 H new ATOM 0 HB2 ASN A 194 40.963 24.609 26.000 1.00 13.37 H new ATOM 0 HB3 ASN A 194 39.843 25.563 26.516 1.00 13.37 H new ATOM 0 HD21 ASN A 194 39.799 21.780 27.336 1.00 14.26 H new ATOM 0 HD22 ASN A 194 40.805 22.373 26.411 1.00 14.26 H new ATOM 851 N LEU A 195 37.115 23.984 24.295 1.00 12.17 N ATOM 852 CA LEU A 195 35.653 24.069 24.280 1.00 12.51 C ATOM 853 C LEU A 195 35.003 24.201 25.653 1.00 10.59 C ATOM 854 O LEU A 195 34.113 25.023 25.836 1.00 11.26 O ATOM 855 CB LEU A 195 35.050 22.874 23.533 1.00 12.72 C ATOM 856 CG LEU A 195 33.524 22.844 23.385 1.00 11.64 C ATOM 857 CD1 LEU A 195 33.011 24.142 22.778 1.00 12.36 C ATOM 858 CD2 LEU A 195 33.129 21.659 22.521 1.00 13.43 C ATOM 0 H LEU A 195 37.429 23.247 23.981 1.00 12.17 H new ATOM 0 HA LEU A 195 35.456 24.896 23.814 1.00 12.51 H new ATOM 0 HB2 LEU A 195 35.440 22.846 22.645 1.00 12.72 H new ATOM 0 HB3 LEU A 195 35.325 22.063 23.989 1.00 12.72 H new ATOM 0 HG LEU A 195 33.123 22.751 24.263 1.00 11.64 H new ATOM 0 HD11 LEU A 195 32.046 24.101 22.694 1.00 12.36 H new ATOM 0 HD12 LEU A 195 33.254 24.886 23.351 1.00 12.36 H new ATOM 0 HD13 LEU A 195 33.406 24.268 21.901 1.00 12.36 H new ATOM 0 HD21 LEU A 195 32.164 21.636 22.425 1.00 13.43 H new ATOM 0 HD22 LEU A 195 33.539 21.745 21.646 1.00 13.43 H new ATOM 0 HD23 LEU A 195 33.431 20.838 22.940 1.00 13.43 H new ATOM 859 N PHE A 196 35.434 23.380 26.604 1.00 11.56 N ATOM 860 CA PHE A 196 34.885 23.415 27.957 1.00 12.50 C ATOM 861 C PHE A 196 35.010 24.801 28.593 1.00 11.99 C ATOM 862 O PHE A 196 34.035 25.333 29.127 1.00 11.76 O ATOM 863 CB PHE A 196 35.565 22.361 28.837 1.00 12.88 C ATOM 864 CG PHE A 196 35.394 22.601 30.307 1.00 15.22 C ATOM 865 CD1 PHE A 196 34.147 22.471 30.906 1.00 14.79 C ATOM 866 CD2 PHE A 196 36.477 22.999 31.089 1.00 17.36 C ATOM 867 CE1 PHE A 196 33.979 22.737 32.258 1.00 15.96 C ATOM 868 CE2 PHE A 196 36.318 23.269 32.448 1.00 16.96 C ATOM 869 CZ PHE A 196 35.066 23.138 33.031 1.00 17.68 C ATOM 0 H PHE A 196 36.049 22.790 26.486 1.00 11.56 H new ATOM 0 HA PHE A 196 33.939 23.211 27.890 1.00 12.50 H new ATOM 0 HB2 PHE A 196 35.207 21.487 28.616 1.00 12.88 H new ATOM 0 HB3 PHE A 196 36.512 22.340 28.629 1.00 12.88 H new ATOM 0 HD1 PHE A 196 33.417 22.203 30.396 1.00 14.79 H new ATOM 0 HD2 PHE A 196 37.317 23.086 30.699 1.00 17.36 H new ATOM 0 HE1 PHE A 196 33.140 22.647 32.648 1.00 15.96 H new ATOM 0 HE2 PHE A 196 37.047 23.535 32.960 1.00 16.96 H new ATOM 0 HZ PHE A 196 34.953 23.318 33.936 1.00 17.68 H new ATOM 870 N LEU A 197 36.204 25.381 28.523 1.00 12.35 N ATOM 871 CA LEU A 197 36.449 26.701 29.098 1.00 12.93 C ATOM 872 C LEU A 197 35.547 27.764 28.488 1.00 11.18 C ATOM 873 O LEU A 197 34.892 28.519 29.207 1.00 11.37 O ATOM 874 CB LEU A 197 37.920 27.098 28.942 1.00 13.22 C ATOM 875 CG LEU A 197 38.898 26.230 29.736 1.00 16.12 C ATOM 876 CD1 LEU A 197 40.338 26.620 29.418 1.00 15.50 C ATOM 877 CD2 LEU A 197 38.607 26.361 31.225 1.00 16.03 C ATOM 0 H LEU A 197 36.889 25.025 28.145 1.00 12.35 H new ATOM 0 HA LEU A 197 36.238 26.644 30.043 1.00 12.93 H new ATOM 0 HB2 LEU A 197 38.157 27.056 28.002 1.00 13.22 H new ATOM 0 HB3 LEU A 197 38.025 28.021 29.220 1.00 13.22 H new ATOM 0 HG LEU A 197 38.782 25.302 29.480 1.00 16.12 H new ATOM 0 HD11 LEU A 197 40.945 26.062 29.928 1.00 15.50 H new ATOM 0 HD12 LEU A 197 40.505 26.497 28.471 1.00 15.50 H new ATOM 0 HD13 LEU A 197 40.481 27.550 29.653 1.00 15.50 H new ATOM 0 HD21 LEU A 197 39.228 25.810 31.726 1.00 16.03 H new ATOM 0 HD22 LEU A 197 38.708 27.287 31.494 1.00 16.03 H new ATOM 0 HD23 LEU A 197 37.699 26.069 31.404 1.00 16.03 H new ATOM 878 N VAL A 198 35.493 27.815 27.164 1.00 10.05 N ATOM 879 CA VAL A 198 34.651 28.800 26.505 1.00 10.25 C ATOM 880 C VAL A 198 33.171 28.519 26.773 1.00 10.48 C ATOM 881 O VAL A 198 32.407 29.445 27.042 1.00 10.49 O ATOM 882 CB VAL A 198 34.933 28.875 24.988 1.00 9.95 C ATOM 883 CG1 VAL A 198 34.054 29.938 24.338 1.00 9.29 C ATOM 884 CG2 VAL A 198 36.409 29.197 24.746 1.00 8.34 C ATOM 0 H VAL A 198 35.930 27.296 26.636 1.00 10.05 H new ATOM 0 HA VAL A 198 34.870 29.666 26.882 1.00 10.25 H new ATOM 0 HB VAL A 198 34.727 28.015 24.590 1.00 9.95 H new ATOM 0 HG11 VAL A 198 34.241 29.975 23.387 1.00 9.29 H new ATOM 0 HG12 VAL A 198 33.120 29.714 24.476 1.00 9.29 H new ATOM 0 HG13 VAL A 198 34.241 30.802 24.738 1.00 9.29 H new ATOM 0 HG21 VAL A 198 36.578 29.242 23.792 1.00 8.34 H new ATOM 0 HG22 VAL A 198 36.625 30.050 25.153 1.00 8.34 H new ATOM 0 HG23 VAL A 198 36.961 28.503 25.139 1.00 8.34 H new ATOM 885 N ALA A 199 32.780 27.246 26.752 1.00 10.18 N ATOM 886 CA ALA A 199 31.391 26.870 27.000 1.00 10.02 C ATOM 887 C ALA A 199 30.945 27.300 28.398 1.00 10.16 C ATOM 888 O ALA A 199 29.835 27.798 28.569 1.00 10.78 O ATOM 889 CB ALA A 199 31.191 25.366 26.810 1.00 10.21 C ATOM 0 H ALA A 199 33.306 26.584 26.596 1.00 10.18 H new ATOM 0 HA ALA A 199 30.839 27.335 26.352 1.00 10.02 H new ATOM 0 HB1 ALA A 199 30.263 25.139 26.979 1.00 10.21 H new ATOM 0 HB2 ALA A 199 31.423 25.121 25.901 1.00 10.21 H new ATOM 0 HB3 ALA A 199 31.760 24.883 27.429 1.00 10.21 H new ATOM 890 N ALA A 200 31.809 27.116 29.393 1.00 10.04 N ATOM 891 CA ALA A 200 31.491 27.506 30.767 1.00 10.29 C ATOM 892 C ALA A 200 31.251 29.021 30.854 1.00 9.89 C ATOM 893 O ALA A 200 30.308 29.479 31.502 1.00 9.82 O ATOM 894 CB ALA A 200 32.621 27.083 31.710 1.00 11.91 C ATOM 0 H ALA A 200 32.588 26.766 29.294 1.00 10.04 H new ATOM 0 HA ALA A 200 30.677 27.054 31.039 1.00 10.29 H new ATOM 0 HB1 ALA A 200 32.401 27.346 32.617 1.00 11.91 H new ATOM 0 HB2 ALA A 200 32.732 26.120 31.671 1.00 11.91 H new ATOM 0 HB3 ALA A 200 33.447 27.515 31.440 1.00 11.91 H new ATOM 895 N HIS A 201 32.101 29.787 30.178 1.00 9.97 N ATOM 896 CA HIS A 201 31.989 31.243 30.140 1.00 9.82 C ATOM 897 C HIS A 201 30.676 31.646 29.463 1.00 9.46 C ATOM 898 O HIS A 201 29.914 32.442 30.013 1.00 9.68 O ATOM 899 CB HIS A 201 33.192 31.837 29.386 1.00 10.76 C ATOM 900 CG HIS A 201 33.167 33.333 29.257 1.00 11.41 C ATOM 901 ND1 HIS A 201 33.986 34.182 29.967 1.00 11.59 N ATOM 902 CD2 HIS A 201 32.426 34.134 28.449 1.00 11.25 C ATOM 903 CE1 HIS A 201 33.727 35.443 29.581 1.00 11.02 C ATOM 904 NE2 HIS A 201 32.782 35.483 28.654 1.00 12.29 N ATOM 0 H HIS A 201 32.763 29.476 29.726 1.00 9.97 H new ATOM 0 HA HIS A 201 31.988 31.590 31.046 1.00 9.82 H new ATOM 0 HB2 HIS A 201 34.007 31.576 29.843 1.00 10.76 H new ATOM 0 HB3 HIS A 201 33.228 31.447 28.498 1.00 10.76 H new ATOM 0 HD1 HIS A 201 34.565 33.946 30.557 1.00 11.59 H new ATOM 0 HD2 HIS A 201 31.780 33.837 27.850 1.00 11.25 H new ATOM 0 HE1 HIS A 201 34.157 36.193 29.922 1.00 11.02 H new ATOM 905 N GLU A 202 30.410 31.093 28.278 1.00 9.52 N ATOM 906 CA GLU A 202 29.187 31.407 27.536 1.00 9.50 C ATOM 907 C GLU A 202 27.931 31.096 28.342 1.00 9.48 C ATOM 908 O GLU A 202 26.979 31.876 28.336 1.00 10.13 O ATOM 909 CB GLU A 202 29.138 30.672 26.186 1.00 9.83 C ATOM 910 CG GLU A 202 30.265 31.021 25.223 1.00 8.92 C ATOM 911 CD GLU A 202 30.473 32.516 25.071 1.00 10.98 C ATOM 912 OE1 GLU A 202 29.512 33.225 24.719 1.00 13.48 O ATOM 913 OE2 GLU A 202 31.602 32.983 25.306 1.00 13.44 O ATOM 0 H GLU A 202 30.928 30.530 27.885 1.00 9.52 H new ATOM 0 HA GLU A 202 29.209 32.362 27.368 1.00 9.50 H new ATOM 0 HB2 GLU A 202 29.157 29.717 26.352 1.00 9.83 H new ATOM 0 HB3 GLU A 202 28.291 30.869 25.756 1.00 9.83 H new ATOM 0 HG2 GLU A 202 31.089 30.615 25.536 1.00 8.92 H new ATOM 0 HG3 GLU A 202 30.072 30.636 24.354 1.00 8.92 H new ATOM 914 N ILE A 203 27.929 29.967 29.045 1.00 10.95 N ATOM 915 CA ILE A 203 26.781 29.594 29.866 1.00 11.23 C ATOM 916 C ILE A 203 26.591 30.653 30.959 1.00 10.04 C ATOM 917 O ILE A 203 25.460 30.978 31.322 1.00 10.30 O ATOM 918 CB ILE A 203 26.927 28.161 30.473 1.00 11.80 C ATOM 919 CG1 ILE A 203 26.958 27.110 29.356 1.00 13.37 C ATOM 920 CG2 ILE A 203 25.771 27.855 31.426 1.00 11.19 C ATOM 921 CD1 ILE A 203 25.723 27.087 28.479 1.00 17.15 C ATOM 0 H ILE A 203 28.580 29.405 29.060 1.00 10.95 H new ATOM 0 HA ILE A 203 25.991 29.563 29.303 1.00 11.23 H new ATOM 0 HB ILE A 203 27.760 28.129 30.969 1.00 11.80 H new ATOM 0 HG12 ILE A 203 27.734 27.271 28.797 1.00 13.37 H new ATOM 0 HG13 ILE A 203 27.073 26.234 29.755 1.00 13.37 H new ATOM 0 HG21 ILE A 203 25.880 26.963 31.791 1.00 11.19 H new ATOM 0 HG22 ILE A 203 25.767 28.502 32.149 1.00 11.19 H new ATOM 0 HG23 ILE A 203 24.931 27.906 30.943 1.00 11.19 H new ATOM 0 HD11 ILE A 203 25.820 26.400 27.801 1.00 17.15 H new ATOM 0 HD12 ILE A 203 24.943 26.896 29.023 1.00 17.15 H new ATOM 0 HD13 ILE A 203 25.614 27.950 28.050 1.00 17.15 H new ATOM 922 N GLY A 204 27.695 31.220 31.442 1.00 10.50 N ATOM 923 CA GLY A 204 27.616 32.270 32.445 1.00 9.69 C ATOM 924 C GLY A 204 26.771 33.415 31.912 1.00 9.78 C ATOM 925 O GLY A 204 25.911 33.943 32.616 1.00 9.96 O ATOM 0 H GLY A 204 28.494 31.010 31.202 1.00 10.50 H new ATOM 0 HA2 GLY A 204 27.227 31.921 33.263 1.00 9.69 H new ATOM 0 HA3 GLY A 204 28.506 32.587 32.666 1.00 9.69 H new ATOM 926 N HIS A 205 26.987 33.777 30.647 1.00 10.03 N ATOM 927 CA HIS A 205 26.222 34.845 30.005 1.00 10.16 C ATOM 928 C HIS A 205 24.764 34.421 29.821 1.00 10.71 C ATOM 929 O HIS A 205 23.849 35.222 30.036 1.00 10.23 O ATOM 930 CB HIS A 205 26.820 35.212 28.642 1.00 10.19 C ATOM 931 CG HIS A 205 28.084 36.016 28.722 1.00 9.90 C ATOM 932 ND1 HIS A 205 28.248 37.123 29.523 1.00 9.96 N ATOM 933 CD2 HIS A 205 29.250 35.879 28.047 1.00 10.38 C ATOM 934 CE1 HIS A 205 29.475 37.620 29.312 1.00 10.16 C ATOM 935 NE2 HIS A 205 30.141 36.903 28.419 1.00 11.15 N ATOM 0 H HIS A 205 27.578 33.412 30.140 1.00 10.03 H new ATOM 0 HA HIS A 205 26.262 35.623 30.583 1.00 10.16 H new ATOM 0 HB2 HIS A 205 26.998 34.396 28.148 1.00 10.19 H new ATOM 0 HB3 HIS A 205 26.162 35.713 28.135 1.00 10.19 H new ATOM 0 HD1 HIS A 205 27.663 37.442 30.067 1.00 9.96 H new ATOM 0 HD2 HIS A 205 29.434 35.208 27.430 1.00 10.38 H new ATOM 0 HE1 HIS A 205 29.816 38.373 29.739 1.00 10.16 H new ATOM 936 N SER A 206 24.555 33.169 29.413 1.00 11.07 N ATOM 937 CA SER A 206 23.213 32.620 29.206 1.00 11.97 C ATOM 938 C SER A 206 22.404 32.655 30.500 1.00 11.69 C ATOM 939 O SER A 206 21.171 32.686 30.467 1.00 12.66 O ATOM 940 CB SER A 206 23.289 31.177 28.684 1.00 12.11 C ATOM 941 OG SER A 206 23.884 31.115 27.399 1.00 14.00 O ATOM 0 H SER A 206 25.189 32.612 29.248 1.00 11.07 H new ATOM 0 HA SER A 206 22.769 33.172 28.544 1.00 11.97 H new ATOM 0 HB2 SER A 206 23.801 30.635 29.304 1.00 12.11 H new ATOM 0 HB3 SER A 206 22.397 30.799 28.646 1.00 12.11 H new ATOM 0 HG SER A 206 23.295 30.945 26.825 1.00 14.00 H new ATOM 942 N LEU A 207 23.104 32.640 31.635 1.00 11.94 N ATOM 943 CA LEU A 207 22.463 32.690 32.947 1.00 12.05 C ATOM 944 C LEU A 207 22.257 34.124 33.450 1.00 12.29 C ATOM 945 O LEU A 207 21.615 34.339 34.473 1.00 12.61 O ATOM 946 CB LEU A 207 23.267 31.882 33.964 1.00 10.82 C ATOM 947 CG LEU A 207 23.377 30.381 33.676 1.00 12.07 C ATOM 948 CD1 LEU A 207 24.165 29.689 34.779 1.00 13.37 C ATOM 949 CD2 LEU A 207 21.988 29.772 33.544 1.00 14.53 C ATOM 0 H LEU A 207 23.963 32.601 31.665 1.00 11.94 H new ATOM 0 HA LEU A 207 21.583 32.296 32.845 1.00 12.05 H new ATOM 0 HB2 LEU A 207 24.162 32.252 34.013 1.00 10.82 H new ATOM 0 HB3 LEU A 207 22.863 31.999 34.838 1.00 10.82 H new ATOM 0 HG LEU A 207 23.850 30.254 32.839 1.00 12.07 H new ATOM 0 HD11 LEU A 207 24.228 28.741 34.586 1.00 13.37 H new ATOM 0 HD12 LEU A 207 25.056 30.069 34.827 1.00 13.37 H new ATOM 0 HD13 LEU A 207 23.714 29.816 35.628 1.00 13.37 H new ATOM 0 HD21 LEU A 207 22.067 28.823 33.362 1.00 14.53 H new ATOM 0 HD22 LEU A 207 21.497 29.903 34.370 1.00 14.53 H new ATOM 0 HD23 LEU A 207 21.514 30.202 32.815 1.00 14.53 H new ATOM 950 N GLY A 208 22.837 35.095 32.748 1.00 12.10 N ATOM 951 CA GLY A 208 22.673 36.486 33.131 1.00 12.56 C ATOM 952 C GLY A 208 23.888 37.210 33.671 1.00 13.55 C ATOM 953 O GLY A 208 23.776 38.362 34.097 1.00 15.89 O ATOM 0 H GLY A 208 23.326 34.967 32.052 1.00 12.10 H new ATOM 0 HA2 GLY A 208 22.354 36.974 32.356 1.00 12.56 H new ATOM 0 HA3 GLY A 208 21.975 36.531 33.803 1.00 12.56 H new ATOM 954 N LEU A 209 25.052 36.573 33.640 1.00 13.51 N ATOM 955 CA LEU A 209 26.261 37.207 34.159 1.00 12.69 C ATOM 956 C LEU A 209 26.918 38.167 33.188 1.00 12.82 C ATOM 957 O LEU A 209 26.825 38.004 31.978 1.00 12.99 O ATOM 958 CB LEU A 209 27.302 36.161 34.566 1.00 12.91 C ATOM 959 CG LEU A 209 26.971 35.183 35.691 1.00 12.96 C ATOM 960 CD1 LEU A 209 28.130 34.223 35.889 1.00 13.95 C ATOM 961 CD2 LEU A 209 26.688 35.951 36.964 1.00 15.44 C ATOM 0 H LEU A 209 25.165 35.780 33.326 1.00 13.51 H new ATOM 0 HA LEU A 209 25.960 37.716 34.928 1.00 12.69 H new ATOM 0 HB2 LEU A 209 27.515 35.638 33.777 1.00 12.91 H new ATOM 0 HB3 LEU A 209 28.110 36.635 34.819 1.00 12.91 H new ATOM 0 HG LEU A 209 26.182 34.670 35.457 1.00 12.96 H new ATOM 0 HD11 LEU A 209 27.918 33.603 36.604 1.00 13.95 H new ATOM 0 HD12 LEU A 209 28.285 33.729 35.069 1.00 13.95 H new ATOM 0 HD13 LEU A 209 28.928 34.723 36.121 1.00 13.95 H new ATOM 0 HD21 LEU A 209 26.478 35.329 37.678 1.00 15.44 H new ATOM 0 HD22 LEU A 209 27.469 36.471 37.209 1.00 15.44 H new ATOM 0 HD23 LEU A 209 25.935 36.546 36.823 1.00 15.44 H new ATOM 962 N PHE A 210 27.556 39.188 33.741 1.00 14.00 N ATOM 963 CA PHE A 210 28.308 40.157 32.962 1.00 14.75 C ATOM 964 C PHE A 210 29.762 39.774 33.229 1.00 14.15 C ATOM 965 O PHE A 210 30.029 38.874 34.029 1.00 15.49 O ATOM 966 CB PHE A 210 28.054 41.580 33.468 1.00 17.20 C ATOM 967 CG PHE A 210 26.763 42.178 32.990 1.00 18.84 C ATOM 968 CD1 PHE A 210 26.554 42.422 31.635 1.00 21.53 C ATOM 969 CD2 PHE A 210 25.770 42.531 33.893 1.00 20.79 C ATOM 970 CE1 PHE A 210 25.371 43.015 31.187 1.00 23.35 C ATOM 971 CE2 PHE A 210 24.584 43.123 33.456 1.00 21.91 C ATOM 972 CZ PHE A 210 24.384 43.366 32.101 1.00 22.05 C ATOM 0 H PHE A 210 27.564 39.339 34.588 1.00 14.00 H new ATOM 0 HA PHE A 210 28.066 40.147 32.023 1.00 14.75 H new ATOM 0 HB2 PHE A 210 28.057 41.574 34.438 1.00 17.20 H new ATOM 0 HB3 PHE A 210 28.787 42.149 33.186 1.00 17.20 H new ATOM 0 HD1 PHE A 210 27.211 42.187 31.020 1.00 21.53 H new ATOM 0 HD2 PHE A 210 25.896 42.371 34.800 1.00 20.79 H new ATOM 0 HE1 PHE A 210 25.244 43.175 30.280 1.00 23.35 H new ATOM 0 HE2 PHE A 210 23.927 43.355 34.071 1.00 21.91 H new ATOM 0 HZ PHE A 210 23.595 43.761 31.808 1.00 22.05 H new ATOM 973 N HIS A 211 30.698 40.457 32.583 1.00 13.83 N ATOM 974 CA HIS A 211 32.109 40.163 32.786 1.00 13.01 C ATOM 975 C HIS A 211 32.635 40.636 34.138 1.00 13.30 C ATOM 976 O HIS A 211 32.039 41.490 34.796 1.00 13.31 O ATOM 977 CB HIS A 211 32.954 40.755 31.655 1.00 11.77 C ATOM 978 CG HIS A 211 32.809 40.033 30.353 1.00 12.62 C ATOM 979 ND1 HIS A 211 32.744 40.654 29.126 1.00 13.43 N ATOM 980 CD2 HIS A 211 32.676 38.707 30.096 1.00 11.35 C ATOM 981 CE1 HIS A 211 32.573 39.714 28.186 1.00 12.17 C ATOM 982 NE2 HIS A 211 32.523 38.504 28.716 1.00 13.41 N ATOM 0 H HIS A 211 30.538 41.092 32.025 1.00 13.83 H new ATOM 0 HA HIS A 211 32.187 39.196 32.778 1.00 13.01 H new ATOM 0 HB2 HIS A 211 32.706 41.684 31.529 1.00 11.77 H new ATOM 0 HB3 HIS A 211 33.887 40.744 31.920 1.00 11.77 H new ATOM 0 HD1 HIS A 211 32.803 41.501 28.986 1.00 13.43 H new ATOM 0 HD2 HIS A 211 32.685 38.034 30.738 1.00 11.35 H new ATOM 0 HE1 HIS A 211 32.499 39.891 27.276 1.00 12.17 H new ATOM 983 N SER A 212 33.755 40.055 34.546 1.00 13.97 N ATOM 984 CA SER A 212 34.405 40.382 35.800 1.00 15.11 C ATOM 985 C SER A 212 35.719 41.101 35.502 1.00 15.47 C ATOM 986 O SER A 212 36.293 40.941 34.422 1.00 15.32 O ATOM 987 CB SER A 212 34.669 39.097 36.585 1.00 15.65 C ATOM 988 OG SER A 212 35.534 39.316 37.685 1.00 18.68 O ATOM 0 H SER A 212 34.164 39.449 34.092 1.00 13.97 H new ATOM 0 HA SER A 212 33.836 40.961 36.332 1.00 15.11 H new ATOM 0 HB2 SER A 212 33.827 38.735 36.903 1.00 15.65 H new ATOM 0 HB3 SER A 212 35.059 38.433 35.995 1.00 15.65 H new ATOM 0 HG SER A 212 35.656 38.593 38.094 1.00 18.68 H new ATOM 989 N ALA A 213 36.182 41.904 36.457 1.00 16.13 N ATOM 990 CA ALA A 213 37.434 42.646 36.311 1.00 16.68 C ATOM 991 C ALA A 213 38.629 41.821 36.782 1.00 16.34 C ATOM 992 O ALA A 213 39.776 42.206 36.567 1.00 17.49 O ATOM 993 CB ALA A 213 37.361 43.959 37.088 1.00 16.17 C ATOM 0 H ALA A 213 35.781 42.034 37.206 1.00 16.13 H new ATOM 0 HA ALA A 213 37.558 42.839 35.369 1.00 16.68 H new ATOM 0 HB1 ALA A 213 38.195 44.443 36.985 1.00 16.17 H new ATOM 0 HB2 ALA A 213 36.631 44.498 36.746 1.00 16.17 H new ATOM 0 HB3 ALA A 213 37.211 43.771 38.028 1.00 16.17 H new ATOM 994 N ASN A 214 38.356 40.698 37.444 1.00 17.56 N ATOM 995 CA ASN A 214 39.408 39.820 37.947 1.00 17.54 C ATOM 996 C ASN A 214 39.998 39.027 36.788 1.00 16.90 C ATOM 997 O ASN A 214 39.306 38.221 36.162 1.00 16.11 O ATOM 998 CB ASN A 214 38.840 38.864 38.995 1.00 20.13 C ATOM 999 CG ASN A 214 39.914 38.060 39.697 1.00 23.26 C ATOM 1000 OD1 ASN A 214 41.046 37.951 39.226 1.00 26.97 O ATOM 1001 ND2 ASN A 214 39.559 37.479 40.828 1.00 27.51 N ATOM 0 H ASN A 214 37.558 40.425 37.613 1.00 17.56 H new ATOM 0 HA ASN A 214 40.102 40.357 38.360 1.00 17.54 H new ATOM 0 HB2 ASN A 214 38.340 39.372 39.653 1.00 20.13 H new ATOM 0 HB3 ASN A 214 38.214 38.258 38.569 1.00 20.13 H new ATOM 0 HD21 ASN A 214 40.128 37.003 41.264 1.00 27.51 H new ATOM 0 HD22 ASN A 214 38.759 37.576 41.129 1.00 27.51 H new ATOM 1002 N THR A 215 41.288 39.220 36.539 1.00 17.27 N ATOM 1003 CA THR A 215 41.975 38.549 35.440 1.00 18.74 C ATOM 1004 C THR A 215 41.941 37.029 35.515 1.00 19.66 C ATOM 1005 O THR A 215 42.135 36.349 34.507 1.00 21.03 O ATOM 1006 CB THR A 215 43.440 39.000 35.341 1.00 17.85 C ATOM 1007 OG1 THR A 215 44.066 38.853 36.620 1.00 19.22 O ATOM 1008 CG2 THR A 215 43.516 40.453 34.898 1.00 19.29 C ATOM 0 H THR A 215 41.790 39.743 37.001 1.00 17.27 H new ATOM 0 HA THR A 215 41.481 38.812 34.648 1.00 18.74 H new ATOM 0 HB THR A 215 43.898 38.451 34.686 1.00 17.85 H new ATOM 0 HG1 THR A 215 44.868 39.097 36.569 1.00 19.22 H new ATOM 0 HG21 THR A 215 44.445 40.725 34.839 1.00 19.29 H new ATOM 0 HG22 THR A 215 43.096 40.549 34.029 1.00 19.29 H new ATOM 0 HG23 THR A 215 43.056 41.013 35.543 1.00 19.29 H new ATOM 1009 N GLU A 216 41.702 36.499 36.705 1.00 20.52 N ATOM 1010 CA GLU A 216 41.653 35.059 36.893 1.00 22.37 C ATOM 1011 C GLU A 216 40.241 34.484 36.955 1.00 20.96 C ATOM 1012 O GLU A 216 40.065 33.269 37.062 1.00 21.05 O ATOM 1013 CB GLU A 216 42.428 34.681 38.146 1.00 25.65 C ATOM 1014 CG GLU A 216 43.877 35.105 38.083 1.00 32.15 C ATOM 1015 CD GLU A 216 44.686 34.543 39.217 1.00 33.52 C ATOM 1016 OE1 GLU A 216 45.119 33.378 39.107 1.00 34.67 O ATOM 1017 OE2 GLU A 216 44.878 35.264 40.216 1.00 37.28 O ATOM 0 H GLU A 216 41.565 36.958 37.419 1.00 20.52 H new ATOM 0 HA GLU A 216 42.062 34.667 36.106 1.00 22.37 H new ATOM 0 HB2 GLU A 216 42.008 35.091 38.918 1.00 25.65 H new ATOM 0 HB3 GLU A 216 42.381 33.721 38.274 1.00 25.65 H new ATOM 0 HG2 GLU A 216 44.260 34.815 37.240 1.00 32.15 H new ATOM 0 HG3 GLU A 216 43.929 36.073 38.100 1.00 32.15 H new ATOM 1018 N ALA A 217 39.238 35.352 36.893 1.00 17.83 N ATOM 1019 CA ALA A 217 37.851 34.906 36.940 1.00 15.09 C ATOM 1020 C ALA A 217 37.462 34.261 35.616 1.00 14.01 C ATOM 1021 O ALA A 217 37.999 34.605 34.563 1.00 13.87 O ATOM 1022 CB ALA A 217 36.929 36.081 37.236 1.00 13.73 C ATOM 0 H ALA A 217 39.339 36.203 36.824 1.00 17.83 H new ATOM 0 HA ALA A 217 37.760 34.250 37.649 1.00 15.09 H new ATOM 0 HB1 ALA A 217 36.010 35.772 37.265 1.00 13.73 H new ATOM 0 HB2 ALA A 217 37.166 36.471 38.092 1.00 13.73 H new ATOM 0 HB3 ALA A 217 37.023 36.750 36.540 1.00 13.73 H new ATOM 1023 N LEU A 218 36.553 33.298 35.675 1.00 13.17 N ATOM 1024 CA LEU A 218 36.071 32.648 34.467 1.00 12.91 C ATOM 1025 C LEU A 218 35.410 33.700 33.579 1.00 12.15 C ATOM 1026 O LEU A 218 35.570 33.680 32.360 1.00 12.05 O ATOM 1027 CB LEU A 218 35.045 31.563 34.810 1.00 12.48 C ATOM 1028 CG LEU A 218 34.315 30.953 33.606 1.00 13.84 C ATOM 1029 CD1 LEU A 218 35.317 30.276 32.670 1.00 14.56 C ATOM 1030 CD2 LEU A 218 33.247 29.971 34.069 1.00 14.15 C ATOM 0 H LEU A 218 36.203 33.006 36.404 1.00 13.17 H new ATOM 0 HA LEU A 218 36.818 32.233 34.008 1.00 12.91 H new ATOM 0 HB2 LEU A 218 35.496 30.852 35.291 1.00 12.48 H new ATOM 0 HB3 LEU A 218 34.386 31.940 35.413 1.00 12.48 H new ATOM 0 HG LEU A 218 33.873 31.663 33.115 1.00 13.84 H new ATOM 0 HD11 LEU A 218 34.846 29.894 31.913 1.00 14.56 H new ATOM 0 HD12 LEU A 218 35.959 30.931 32.354 1.00 14.56 H new ATOM 0 HD13 LEU A 218 35.783 29.573 33.149 1.00 14.56 H new ATOM 0 HD21 LEU A 218 32.796 29.595 33.297 1.00 14.15 H new ATOM 0 HD22 LEU A 218 33.662 29.258 34.579 1.00 14.15 H new ATOM 0 HD23 LEU A 218 32.602 30.433 34.626 1.00 14.15 H new ATOM 1031 N MET A 219 34.705 34.641 34.206 1.00 11.94 N ATOM 1032 CA MET A 219 34.005 35.684 33.472 1.00 11.61 C ATOM 1033 C MET A 219 34.827 36.892 33.010 1.00 12.90 C ATOM 1034 O MET A 219 34.271 37.960 32.756 1.00 13.17 O ATOM 1035 CB MET A 219 32.747 36.127 34.228 1.00 11.67 C ATOM 1036 CG MET A 219 31.718 35.008 34.433 1.00 11.09 C ATOM 1037 SD MET A 219 31.289 34.114 32.919 1.00 13.21 S ATOM 1038 CE MET A 219 30.384 35.369 32.029 1.00 11.67 C ATOM 0 H MET A 219 34.622 34.690 35.061 1.00 11.94 H new ATOM 0 HA MET A 219 33.769 35.252 32.637 1.00 11.61 H new ATOM 0 HB2 MET A 219 33.008 36.477 35.094 1.00 11.67 H new ATOM 0 HB3 MET A 219 32.328 36.855 33.742 1.00 11.67 H new ATOM 0 HG2 MET A 219 32.066 34.377 35.083 1.00 11.09 H new ATOM 0 HG3 MET A 219 30.911 35.389 34.812 1.00 11.09 H new ATOM 0 HE1 MET A 219 30.075 35.007 31.184 1.00 11.67 H new ATOM 0 HE2 MET A 219 29.621 35.654 32.556 1.00 11.67 H new ATOM 0 HE3 MET A 219 30.963 36.129 31.863 1.00 11.67 H new ATOM 1039 N TYR A 220 36.142 36.725 32.888 1.00 13.49 N ATOM 1040 CA TYR A 220 37.011 37.797 32.395 1.00 13.35 C ATOM 1041 C TYR A 220 36.704 37.877 30.882 1.00 12.89 C ATOM 1042 O TYR A 220 36.420 36.857 30.261 1.00 12.68 O ATOM 1043 CB TYR A 220 38.485 37.444 32.647 1.00 13.81 C ATOM 1044 CG TYR A 220 39.438 38.579 32.353 1.00 15.50 C ATOM 1045 CD1 TYR A 220 39.390 39.762 33.093 1.00 15.15 C ATOM 1046 CD2 TYR A 220 40.357 38.491 31.310 1.00 14.58 C ATOM 1047 CE1 TYR A 220 40.225 40.831 32.798 1.00 16.31 C ATOM 1048 CE2 TYR A 220 41.199 39.556 31.007 1.00 16.42 C ATOM 1049 CZ TYR A 220 41.126 40.723 31.755 1.00 15.70 C ATOM 1050 OH TYR A 220 41.944 41.785 31.453 1.00 17.87 O ATOM 0 H TYR A 220 36.554 35.996 33.086 1.00 13.49 H new ATOM 0 HA TYR A 220 36.855 38.644 32.841 1.00 13.35 H new ATOM 0 HB2 TYR A 220 38.591 37.174 33.573 1.00 13.81 H new ATOM 0 HB3 TYR A 220 38.725 36.680 32.099 1.00 13.81 H new ATOM 0 HD1 TYR A 220 38.787 39.835 33.797 1.00 15.15 H new ATOM 0 HD2 TYR A 220 40.408 37.709 30.809 1.00 14.58 H new ATOM 0 HE1 TYR A 220 40.179 41.614 33.298 1.00 16.31 H new ATOM 0 HE2 TYR A 220 41.807 39.487 30.307 1.00 16.42 H new ATOM 0 HH TYR A 220 42.437 41.583 30.804 1.00 17.87 H new ATOM 1051 N PRO A 221 36.755 39.081 30.273 1.00 13.62 N ATOM 1052 CA PRO A 221 36.462 39.266 28.841 1.00 13.16 C ATOM 1053 C PRO A 221 37.350 38.574 27.809 1.00 13.08 C ATOM 1054 O PRO A 221 36.886 38.260 26.707 1.00 13.16 O ATOM 1055 CB PRO A 221 36.563 40.787 28.661 1.00 14.38 C ATOM 1056 CG PRO A 221 36.287 41.328 30.003 1.00 15.34 C ATOM 1057 CD PRO A 221 37.024 40.382 30.910 1.00 13.84 C ATOM 0 HA PRO A 221 35.605 38.849 28.660 1.00 13.16 H new ATOM 0 HB2 PRO A 221 37.443 41.049 28.347 1.00 14.38 H new ATOM 0 HB3 PRO A 221 35.921 41.110 28.009 1.00 14.38 H new ATOM 0 HG2 PRO A 221 36.609 42.238 30.096 1.00 15.34 H new ATOM 0 HG3 PRO A 221 35.336 41.342 30.196 1.00 15.34 H new ATOM 0 HD2 PRO A 221 37.973 40.579 30.948 1.00 13.84 H new ATOM 0 HD3 PRO A 221 36.691 40.417 31.820 1.00 13.84 H new ATOM 1058 N LEU A 222 38.626 38.385 28.139 1.00 12.93 N ATOM 1059 CA LEU A 222 39.570 37.794 27.198 1.00 13.43 C ATOM 1060 C LEU A 222 39.937 36.351 27.511 1.00 14.07 C ATOM 1061 O LEU A 222 40.258 36.013 28.649 1.00 13.13 O ATOM 1062 CB LEU A 222 40.848 38.638 27.134 1.00 15.58 C ATOM 1063 CG LEU A 222 40.705 40.155 26.966 1.00 17.95 C ATOM 1064 CD1 LEU A 222 42.077 40.796 26.950 1.00 18.52 C ATOM 1065 CD2 LEU A 222 39.958 40.492 25.694 1.00 18.33 C ATOM 0 H LEU A 222 38.963 38.592 28.902 1.00 12.93 H new ATOM 0 HA LEU A 222 39.117 37.786 26.340 1.00 13.43 H new ATOM 0 HB2 LEU A 222 41.351 38.476 27.947 1.00 15.58 H new ATOM 0 HB3 LEU A 222 41.385 38.307 26.397 1.00 15.58 H new ATOM 0 HG LEU A 222 40.195 40.502 27.715 1.00 17.95 H new ATOM 0 HD11 LEU A 222 41.985 41.756 26.844 1.00 18.52 H new ATOM 0 HD12 LEU A 222 42.533 40.606 27.785 1.00 18.52 H new ATOM 0 HD13 LEU A 222 42.593 40.437 26.211 1.00 18.52 H new ATOM 0 HD21 LEU A 222 39.880 41.455 25.610 1.00 18.33 H new ATOM 0 HD22 LEU A 222 40.442 40.139 24.931 1.00 18.33 H new ATOM 0 HD23 LEU A 222 39.072 40.098 25.725 1.00 18.33 H new ATOM 1066 N TYR A 223 39.917 35.516 26.478 1.00 14.97 N ATOM 1067 CA TYR A 223 40.259 34.110 26.607 1.00 16.14 C ATOM 1068 C TYR A 223 41.772 33.924 26.710 1.00 18.28 C ATOM 1069 O TYR A 223 42.545 34.665 26.102 1.00 18.71 O ATOM 1070 CB TYR A 223 39.736 33.329 25.393 1.00 15.39 C ATOM 1071 CG TYR A 223 40.200 31.886 25.345 1.00 15.43 C ATOM 1072 CD1 TYR A 223 39.553 30.904 26.094 1.00 15.83 C ATOM 1073 CD2 TYR A 223 41.310 31.510 24.580 1.00 17.44 C ATOM 1074 CE1 TYR A 223 40.001 29.580 26.089 1.00 16.73 C ATOM 1075 CE2 TYR A 223 41.768 30.188 24.568 1.00 16.29 C ATOM 1076 CZ TYR A 223 41.107 29.229 25.326 1.00 15.93 C ATOM 1077 OH TYR A 223 41.552 27.926 25.337 1.00 15.97 O ATOM 0 H TYR A 223 39.703 35.753 25.679 1.00 14.97 H new ATOM 0 HA TYR A 223 39.846 33.773 27.417 1.00 16.14 H new ATOM 0 HB2 TYR A 223 38.766 33.348 25.401 1.00 15.39 H new ATOM 0 HB3 TYR A 223 40.022 33.779 24.582 1.00 15.39 H new ATOM 0 HD1 TYR A 223 38.811 31.134 26.605 1.00 15.83 H new ATOM 0 HD2 TYR A 223 41.751 32.151 24.070 1.00 17.44 H new ATOM 0 HE1 TYR A 223 39.560 28.936 26.595 1.00 16.73 H new ATOM 0 HE2 TYR A 223 42.509 29.953 24.057 1.00 16.29 H new ATOM 0 HH TYR A 223 42.392 27.917 25.346 1.00 15.97 H new ATOM 1078 N HIS A 224 42.179 32.933 27.495 1.00 20.08 N ATOM 1079 CA HIS A 224 43.583 32.580 27.655 1.00 24.26 C ATOM 1080 C HIS A 224 43.595 31.097 28.002 1.00 25.93 C ATOM 1081 O HIS A 224 42.702 30.622 28.705 1.00 25.78 O ATOM 1082 CB HIS A 224 44.268 33.417 28.751 1.00 26.17 C ATOM 1083 CG HIS A 224 43.852 33.074 30.152 1.00 28.29 C ATOM 1084 ND1 HIS A 224 44.325 32.152 31.025 1.00 30.23 N flip ATOM 1085 CD2 HIS A 224 42.862 33.758 30.823 1.00 30.29 C flip ATOM 1086 CE1 HIS A 224 43.620 32.299 32.194 1.00 30.66 C flip ATOM 1087 NE2 HIS A 224 42.742 33.276 32.047 1.00 31.45 N flip ATOM 0 H HIS A 224 41.642 32.442 27.954 1.00 20.08 H new ATOM 0 HA HIS A 224 44.083 32.763 26.844 1.00 24.26 H new ATOM 0 HB2 HIS A 224 45.228 33.304 28.675 1.00 26.17 H new ATOM 0 HB3 HIS A 224 44.079 34.355 28.591 1.00 26.17 H new ATOM 0 HD1 HIS A 224 44.950 31.581 30.875 1.00 30.23 H new ATOM 0 HD2 HIS A 224 42.356 34.453 30.468 1.00 30.29 H new ATOM 0 HE1 HIS A 224 43.741 31.793 32.965 1.00 30.66 H new ATOM 1088 N SER A 225 44.542 30.352 27.447 1.00 29.73 N ATOM 1089 CA SER A 225 44.625 28.924 27.733 1.00 34.78 C ATOM 1090 C SER A 225 45.334 28.698 29.065 1.00 36.36 C ATOM 1091 O SER A 225 46.062 29.571 29.549 1.00 37.98 O ATOM 1092 CB SER A 225 45.359 28.188 26.603 1.00 37.39 C ATOM 1093 OG SER A 225 44.652 28.303 25.372 1.00 41.80 O ATOM 0 H SER A 225 45.142 30.649 26.907 1.00 29.73 H new ATOM 0 HA SER A 225 43.725 28.567 27.793 1.00 34.78 H new ATOM 0 HB2 SER A 225 46.252 28.553 26.502 1.00 37.39 H new ATOM 0 HB3 SER A 225 45.460 27.252 26.835 1.00 37.39 H new ATOM 0 HG SER A 225 45.071 27.895 24.769 1.00 41.80 H new ATOM 1094 N LEU A 226 45.069 27.550 29.680 1.00 37.58 N ATOM 1095 CA LEU A 226 45.686 27.200 30.955 1.00 37.98 C ATOM 1096 C LEU A 226 46.810 26.208 30.690 1.00 39.08 C ATOM 1097 O LEU A 226 46.791 25.509 29.678 1.00 39.64 O ATOM 1098 CB LEU A 226 44.659 26.566 31.897 1.00 37.36 C ATOM 1099 CG LEU A 226 43.465 27.421 32.316 1.00 36.45 C ATOM 1100 CD1 LEU A 226 42.624 26.637 33.300 1.00 36.71 C ATOM 1101 CD2 LEU A 226 43.938 28.721 32.956 1.00 37.09 C ATOM 0 H LEU A 226 44.530 26.955 29.372 1.00 37.58 H new ATOM 0 HA LEU A 226 46.031 28.003 31.376 1.00 37.98 H new ATOM 0 HB2 LEU A 226 44.318 25.764 31.472 1.00 37.36 H new ATOM 0 HB3 LEU A 226 45.123 26.286 32.701 1.00 37.36 H new ATOM 0 HG LEU A 226 42.937 27.642 31.533 1.00 36.45 H new ATOM 0 HD11 LEU A 226 41.862 27.172 33.573 1.00 36.71 H new ATOM 0 HD12 LEU A 226 42.312 25.820 32.880 1.00 36.71 H new ATOM 0 HD13 LEU A 226 43.159 26.416 34.079 1.00 36.71 H new ATOM 0 HD21 LEU A 226 43.169 29.252 33.216 1.00 37.09 H new ATOM 0 HD22 LEU A 226 44.472 28.520 33.740 1.00 37.09 H new ATOM 0 HD23 LEU A 226 44.474 29.219 32.319 1.00 37.09 H new ATOM 1102 N THR A 227 47.796 26.168 31.580 1.00 40.60 N ATOM 1103 CA THR A 227 48.918 25.243 31.436 1.00 41.62 C ATOM 1104 C THR A 227 48.470 23.830 31.807 1.00 41.65 C ATOM 1105 O THR A 227 48.927 22.845 31.224 1.00 42.41 O ATOM 1106 CB THR A 227 50.112 25.656 32.334 1.00 41.79 C ATOM 1107 OG1 THR A 227 49.647 25.949 33.658 1.00 42.36 O ATOM 1108 CG2 THR A 227 50.814 26.883 31.767 1.00 42.27 C ATOM 0 H THR A 227 47.835 26.670 32.277 1.00 40.60 H new ATOM 0 HA THR A 227 49.210 25.268 30.511 1.00 41.62 H new ATOM 0 HB THR A 227 50.741 24.918 32.362 1.00 41.79 H new ATOM 0 HG1 THR A 227 50.298 26.171 34.141 1.00 42.36 H new ATOM 0 HG21 THR A 227 51.557 27.126 32.342 1.00 42.27 H new ATOM 0 HG22 THR A 227 51.146 26.684 30.877 1.00 42.27 H new ATOM 0 HG23 THR A 227 50.187 27.622 31.720 1.00 42.27 H new ATOM 1109 N ASP A 228 47.544 23.753 32.759 1.00 42.47 N ATOM 1110 CA ASP A 228 47.001 22.489 33.239 1.00 42.75 C ATOM 1111 C ASP A 228 45.514 22.699 33.521 1.00 41.95 C ATOM 1112 O ASP A 228 45.146 23.511 34.370 1.00 41.35 O ATOM 1113 CB ASP A 228 47.746 22.065 34.513 1.00 45.17 C ATOM 1114 CG ASP A 228 47.260 20.737 35.083 1.00 47.34 C ATOM 1115 OD1 ASP A 228 46.668 19.919 34.342 1.00 49.41 O ATOM 1116 OD2 ASP A 228 47.489 20.509 36.292 1.00 49.32 O ATOM 0 H ASP A 228 47.210 24.443 33.148 1.00 42.47 H new ATOM 0 HA ASP A 228 47.112 21.787 32.579 1.00 42.75 H new ATOM 0 HB2 ASP A 228 48.694 21.999 34.319 1.00 45.17 H new ATOM 0 HB3 ASP A 228 47.642 22.756 35.186 1.00 45.17 H new ATOM 1117 N LEU A 229 44.663 21.983 32.793 1.00 40.53 N ATOM 1118 CA LEU A 229 43.214 22.107 32.959 1.00 40.24 C ATOM 1119 C LEU A 229 42.703 21.850 34.371 1.00 40.89 C ATOM 1120 O LEU A 229 41.691 22.424 34.780 1.00 40.47 O ATOM 1121 CB LEU A 229 42.474 21.195 31.978 1.00 40.23 C ATOM 1122 CG LEU A 229 42.397 21.660 30.525 1.00 40.01 C ATOM 1123 CD1 LEU A 229 41.727 20.583 29.692 1.00 40.57 C ATOM 1124 CD2 LEU A 229 41.621 22.967 30.427 1.00 38.86 C ATOM 0 H LEU A 229 44.904 21.416 32.193 1.00 40.53 H new ATOM 0 HA LEU A 229 43.026 23.040 32.770 1.00 40.24 H new ATOM 0 HB2 LEU A 229 42.902 20.324 31.994 1.00 40.23 H new ATOM 0 HB3 LEU A 229 41.569 21.072 32.304 1.00 40.23 H new ATOM 0 HG LEU A 229 43.293 21.815 30.189 1.00 40.01 H new ATOM 0 HD11 LEU A 229 41.676 20.873 28.768 1.00 40.57 H new ATOM 0 HD12 LEU A 229 42.244 19.764 29.745 1.00 40.57 H new ATOM 0 HD13 LEU A 229 40.832 20.422 30.030 1.00 40.57 H new ATOM 0 HD21 LEU A 229 41.580 23.250 29.500 1.00 38.86 H new ATOM 0 HD22 LEU A 229 40.721 22.835 30.765 1.00 38.86 H new ATOM 0 HD23 LEU A 229 42.067 23.649 30.954 1.00 38.86 H new ATOM 1125 N THR A 230 43.390 20.992 35.118 1.00 41.81 N ATOM 1126 CA THR A 230 42.967 20.688 36.480 1.00 42.49 C ATOM 1127 C THR A 230 43.191 21.873 37.422 1.00 42.05 C ATOM 1128 O THR A 230 42.798 21.831 38.585 1.00 42.80 O ATOM 1129 CB THR A 230 43.659 19.418 37.029 1.00 42.97 C ATOM 1130 OG1 THR A 230 45.078 19.533 36.866 1.00 43.41 O ATOM 1131 CG2 THR A 230 43.159 18.179 36.289 1.00 43.13 C ATOM 0 H THR A 230 44.098 20.578 34.858 1.00 41.81 H new ATOM 0 HA THR A 230 42.014 20.513 36.441 1.00 42.49 H new ATOM 0 HB THR A 230 43.446 19.329 37.971 1.00 42.97 H new ATOM 0 HG1 THR A 230 45.452 18.843 37.166 1.00 43.41 H new ATOM 0 HG21 THR A 230 43.600 17.391 36.642 1.00 43.13 H new ATOM 0 HG22 THR A 230 42.200 18.094 36.410 1.00 43.13 H new ATOM 0 HG23 THR A 230 43.358 18.264 35.344 1.00 43.13 H new ATOM 1132 N ARG A 231 43.826 22.925 36.916 1.00 41.49 N ATOM 1133 CA ARG A 231 44.064 24.123 37.711 1.00 41.32 C ATOM 1134 C ARG A 231 42.902 25.107 37.569 1.00 38.26 C ATOM 1135 O ARG A 231 42.944 26.209 38.113 1.00 37.84 O ATOM 1136 CB ARG A 231 45.390 24.789 37.321 1.00 47.09 C ATOM 1137 CG ARG A 231 46.629 24.012 37.771 1.00 54.94 C ATOM 1138 CD ARG A 231 46.605 23.757 39.277 1.00 60.52 C ATOM 1139 NE ARG A 231 47.791 23.048 39.755 1.00 65.41 N ATOM 1140 CZ ARG A 231 48.014 22.738 41.030 1.00 68.21 C ATOM 1141 NH1 ARG A 231 47.130 23.068 41.965 1.00 70.17 N ATOM 1142 NH2 ARG A 231 49.121 22.092 41.376 1.00 69.77 N ATOM 0 H ARG A 231 44.128 22.965 36.112 1.00 41.49 H new ATOM 0 HA ARG A 231 44.125 23.857 38.642 1.00 41.32 H new ATOM 0 HB2 ARG A 231 45.418 24.895 36.357 1.00 47.09 H new ATOM 0 HB3 ARG A 231 45.420 25.679 37.705 1.00 47.09 H new ATOM 0 HG2 ARG A 231 46.673 23.166 37.298 1.00 54.94 H new ATOM 0 HG3 ARG A 231 47.428 24.509 37.537 1.00 54.94 H new ATOM 0 HD2 ARG A 231 46.532 24.605 39.742 1.00 60.52 H new ATOM 0 HD3 ARG A 231 45.814 23.242 39.500 1.00 60.52 H new ATOM 0 HE ARG A 231 48.382 22.816 39.175 1.00 65.41 H new ATOM 0 HH11 ARG A 231 46.409 23.484 41.748 1.00 70.17 H new ATOM 0 HH12 ARG A 231 47.278 22.866 42.788 1.00 70.17 H new ATOM 0 HH21 ARG A 231 49.696 21.873 40.776 1.00 69.77 H new ATOM 0 HH22 ARG A 231 49.263 21.893 42.201 1.00 69.77 H new ATOM 1143 N PHE A 232 41.873 24.719 36.820 1.00 33.75 N ATOM 1144 CA PHE A 232 40.709 25.577 36.647 1.00 29.50 C ATOM 1145 C PHE A 232 39.761 25.479 37.838 1.00 27.98 C ATOM 1146 O PHE A 232 39.518 24.394 38.371 1.00 26.88 O ATOM 1147 CB PHE A 232 39.925 25.231 35.376 1.00 27.39 C ATOM 1148 CG PHE A 232 38.578 25.910 35.303 1.00 25.63 C ATOM 1149 CD1 PHE A 232 38.475 27.244 34.917 1.00 25.61 C ATOM 1150 CD2 PHE A 232 37.419 25.235 35.685 1.00 25.09 C ATOM 1151 CE1 PHE A 232 37.240 27.896 34.919 1.00 25.54 C ATOM 1152 CE2 PHE A 232 36.180 25.878 35.691 1.00 24.52 C ATOM 1153 CZ PHE A 232 36.091 27.210 35.308 1.00 24.32 C ATOM 0 H PHE A 232 41.831 23.966 36.406 1.00 33.75 H new ATOM 0 HA PHE A 232 41.052 26.481 36.575 1.00 29.50 H new ATOM 0 HB2 PHE A 232 40.450 25.484 34.601 1.00 27.39 H new ATOM 0 HB3 PHE A 232 39.799 24.270 35.333 1.00 27.39 H new ATOM 0 HD1 PHE A 232 39.238 27.706 34.655 1.00 25.61 H new ATOM 0 HD2 PHE A 232 37.472 24.342 35.940 1.00 25.09 H new ATOM 0 HE1 PHE A 232 37.184 28.788 34.661 1.00 25.54 H new ATOM 0 HE2 PHE A 232 35.416 25.416 35.951 1.00 24.52 H new ATOM 0 HZ PHE A 232 35.268 27.643 35.311 1.00 24.32 H new ATOM 1154 N ARG A 233 39.178 26.616 38.196 1.00 26.65 N ATOM 1155 CA ARG A 233 38.223 26.705 39.289 1.00 25.76 C ATOM 1156 C ARG A 233 37.556 28.069 39.169 1.00 23.18 C ATOM 1157 O ARG A 233 38.159 29.013 38.649 1.00 22.93 O ATOM 1158 CB ARG A 233 38.934 26.613 40.645 1.00 28.92 C ATOM 1159 CG ARG A 233 39.902 27.758 40.882 1.00 35.50 C ATOM 1160 CD ARG A 233 40.138 28.035 42.351 1.00 39.79 C ATOM 1161 NE ARG A 233 40.679 29.380 42.537 1.00 45.14 N ATOM 1162 CZ ARG A 233 41.455 29.753 43.551 1.00 49.03 C ATOM 1163 NH1 ARG A 233 41.808 28.885 44.493 1.00 50.09 N ATOM 1164 NH2 ARG A 233 41.889 31.003 43.617 1.00 51.04 N ATOM 0 H ARG A 233 39.329 27.367 37.805 1.00 26.65 H new ATOM 0 HA ARG A 233 37.583 25.978 39.239 1.00 25.76 H new ATOM 0 HB2 ARG A 233 38.271 26.604 41.353 1.00 28.92 H new ATOM 0 HB3 ARG A 233 39.415 25.772 40.697 1.00 28.92 H new ATOM 0 HG2 ARG A 233 40.749 27.553 40.456 1.00 35.50 H new ATOM 0 HG3 ARG A 233 39.558 28.560 40.458 1.00 35.50 H new ATOM 0 HD2 ARG A 233 39.306 27.945 42.841 1.00 39.79 H new ATOM 0 HD3 ARG A 233 40.754 27.380 42.715 1.00 39.79 H new ATOM 0 HE ARG A 233 40.481 29.974 41.947 1.00 45.14 H new ATOM 0 HH11 ARG A 233 41.534 28.071 44.452 1.00 50.09 H new ATOM 0 HH12 ARG A 233 42.310 29.137 45.144 1.00 50.09 H new ATOM 0 HH21 ARG A 233 41.669 31.567 43.007 1.00 51.04 H new ATOM 0 HH22 ARG A 233 42.391 31.250 44.270 1.00 51.04 H new ATOM 1165 N LEU A 234 36.303 28.161 39.599 1.00 20.46 N ATOM 1166 CA LEU A 234 35.596 29.433 39.570 1.00 18.56 C ATOM 1167 C LEU A 234 36.218 30.315 40.635 1.00 17.86 C ATOM 1168 O LEU A 234 36.581 29.838 41.715 1.00 18.53 O ATOM 1169 CB LEU A 234 34.118 29.248 39.910 1.00 17.50 C ATOM 1170 CG LEU A 234 33.216 28.499 38.937 1.00 17.66 C ATOM 1171 CD1 LEU A 234 31.820 28.417 39.528 1.00 16.70 C ATOM 1172 CD2 LEU A 234 33.192 29.220 37.594 1.00 16.52 C ATOM 0 H LEU A 234 35.847 27.502 39.910 1.00 20.46 H new ATOM 0 HA LEU A 234 35.663 29.821 38.683 1.00 18.56 H new ATOM 0 HB2 LEU A 234 34.071 28.789 40.763 1.00 17.50 H new ATOM 0 HB3 LEU A 234 33.737 30.130 40.041 1.00 17.50 H new ATOM 0 HG LEU A 234 33.554 27.602 38.792 1.00 17.66 H new ATOM 0 HD11 LEU A 234 31.237 27.942 38.916 1.00 16.70 H new ATOM 0 HD12 LEU A 234 31.854 27.945 40.374 1.00 16.70 H new ATOM 0 HD13 LEU A 234 31.476 29.313 39.672 1.00 16.70 H new ATOM 0 HD21 LEU A 234 32.617 28.739 36.979 1.00 16.52 H new ATOM 0 HD22 LEU A 234 32.853 30.121 37.716 1.00 16.52 H new ATOM 0 HD23 LEU A 234 34.091 29.259 37.232 1.00 16.52 H new ATOM 1173 N SER A 235 36.378 31.592 40.325 1.00 17.85 N ATOM 1174 CA SER A 235 36.924 32.519 41.296 1.00 17.52 C ATOM 1175 C SER A 235 35.762 32.888 42.210 1.00 17.70 C ATOM 1176 O SER A 235 34.599 32.618 41.888 1.00 17.73 O ATOM 1177 CB SER A 235 37.463 33.763 40.593 1.00 16.00 C ATOM 1178 OG SER A 235 36.417 34.519 40.011 1.00 18.13 O ATOM 0 H SER A 235 36.178 31.939 39.564 1.00 17.85 H new ATOM 0 HA SER A 235 37.660 32.129 41.793 1.00 17.52 H new ATOM 0 HB2 SER A 235 37.947 34.313 41.229 1.00 16.00 H new ATOM 0 HB3 SER A 235 38.096 33.500 39.906 1.00 16.00 H new ATOM 0 HG SER A 235 36.063 34.077 39.391 1.00 18.13 H new ATOM 1179 N GLN A 236 36.062 33.513 43.340 1.00 18.31 N ATOM 1180 CA GLN A 236 35.015 33.919 44.263 1.00 19.14 C ATOM 1181 C GLN A 236 34.093 34.941 43.590 1.00 18.91 C ATOM 1182 O GLN A 236 32.909 35.019 43.910 1.00 17.19 O ATOM 1183 CB GLN A 236 35.619 34.490 45.546 1.00 22.83 C ATOM 1184 CG GLN A 236 34.621 34.636 46.687 1.00 26.66 C ATOM 1185 CD GLN A 236 33.952 33.318 47.054 1.00 28.57 C ATOM 1186 OE1 GLN A 236 34.622 32.300 47.252 1.00 29.30 O ATOM 1187 NE2 GLN A 236 32.625 33.333 47.147 1.00 28.97 N ATOM 0 H GLN A 236 36.861 33.710 43.590 1.00 18.31 H new ATOM 0 HA GLN A 236 34.489 33.140 44.503 1.00 19.14 H new ATOM 0 HB2 GLN A 236 36.345 33.915 45.835 1.00 22.83 H new ATOM 0 HB3 GLN A 236 36.005 35.359 45.353 1.00 22.83 H new ATOM 0 HG2 GLN A 236 35.076 34.992 47.466 1.00 26.66 H new ATOM 0 HG3 GLN A 236 33.941 35.281 46.437 1.00 26.66 H new ATOM 0 HE21 GLN A 236 32.192 34.062 47.002 1.00 28.97 H new ATOM 0 HE22 GLN A 236 32.200 32.614 47.352 1.00 28.97 H new ATOM 1188 N ASP A 237 34.637 35.706 42.646 1.00 19.48 N ATOM 1189 CA ASP A 237 33.856 36.700 41.911 1.00 20.88 C ATOM 1190 C ASP A 237 32.774 36.016 41.090 1.00 17.51 C ATOM 1191 O ASP A 237 31.638 36.486 41.036 1.00 16.13 O ATOM 1192 CB ASP A 237 34.747 37.519 40.976 1.00 27.66 C ATOM 1193 CG ASP A 237 35.604 38.524 41.718 1.00 37.58 C ATOM 1194 OD1 ASP A 237 35.060 39.279 42.557 1.00 42.33 O ATOM 1195 OD2 ASP A 237 36.824 38.567 41.458 1.00 43.01 O ATOM 0 H ASP A 237 35.464 35.664 42.414 1.00 19.48 H new ATOM 0 HA ASP A 237 33.450 37.295 42.561 1.00 20.88 H new ATOM 0 HB2 ASP A 237 35.320 36.919 40.474 1.00 27.66 H new ATOM 0 HB3 ASP A 237 34.191 37.986 40.332 1.00 27.66 H new ATOM 1196 N ASP A 238 33.136 34.907 40.452 1.00 15.31 N ATOM 1197 CA ASP A 238 32.196 34.148 39.631 1.00 14.30 C ATOM 1198 C ASP A 238 31.069 33.588 40.493 1.00 14.65 C ATOM 1199 O ASP A 238 29.889 33.690 40.144 1.00 15.30 O ATOM 1200 CB ASP A 238 32.909 32.994 38.918 1.00 12.83 C ATOM 1201 CG ASP A 238 33.984 33.463 37.958 1.00 12.57 C ATOM 1202 OD1 ASP A 238 33.720 34.354 37.123 1.00 13.70 O ATOM 1203 OD2 ASP A 238 35.103 32.921 38.033 1.00 13.50 O ATOM 0 H ASP A 238 33.928 34.574 40.482 1.00 15.31 H new ATOM 0 HA ASP A 238 31.825 34.750 38.967 1.00 14.30 H new ATOM 0 HB2 ASP A 238 33.308 32.408 39.581 1.00 12.83 H new ATOM 0 HB3 ASP A 238 32.255 32.468 38.431 1.00 12.83 H new ATOM 1204 N ILE A 239 31.443 33.013 41.630 1.00 14.20 N ATOM 1205 CA ILE A 239 30.480 32.427 42.553 1.00 14.76 C ATOM 1206 C ILE A 239 29.520 33.474 43.120 1.00 15.82 C ATOM 1207 O ILE A 239 28.303 33.295 43.064 1.00 15.90 O ATOM 1208 CB ILE A 239 31.207 31.670 43.688 1.00 15.86 C ATOM 1209 CG1 ILE A 239 32.025 30.522 43.090 1.00 15.69 C ATOM 1210 CG2 ILE A 239 30.210 31.132 44.702 1.00 15.94 C ATOM 1211 CD1 ILE A 239 32.886 29.785 44.085 1.00 17.49 C ATOM 0 H ILE A 239 32.261 32.952 41.888 1.00 14.20 H new ATOM 0 HA ILE A 239 29.945 31.792 42.052 1.00 14.76 H new ATOM 0 HB ILE A 239 31.800 32.285 44.147 1.00 15.86 H new ATOM 0 HG12 ILE A 239 31.418 29.890 42.673 1.00 15.69 H new ATOM 0 HG13 ILE A 239 32.593 30.876 42.387 1.00 15.69 H new ATOM 0 HG21 ILE A 239 30.685 30.661 45.405 1.00 15.94 H new ATOM 0 HG22 ILE A 239 29.711 31.869 45.087 1.00 15.94 H new ATOM 0 HG23 ILE A 239 29.598 30.522 44.262 1.00 15.94 H new ATOM 0 HD11 ILE A 239 33.370 29.077 43.632 1.00 17.49 H new ATOM 0 HD12 ILE A 239 33.517 30.402 44.487 1.00 17.49 H new ATOM 0 HD13 ILE A 239 32.325 29.401 44.777 1.00 17.49 H new ATOM 1212 N ASN A 240 30.058 34.582 43.621 1.00 16.41 N ATOM 1213 CA ASN A 240 29.219 35.643 44.183 1.00 18.23 C ATOM 1214 C ASN A 240 28.237 36.177 43.143 1.00 16.41 C ATOM 1215 O ASN A 240 27.069 36.404 43.445 1.00 17.07 O ATOM 1216 CB ASN A 240 30.067 36.801 44.734 1.00 20.96 C ATOM 1217 CG ASN A 240 30.840 36.431 46.000 1.00 23.30 C ATOM 1218 OD1 ASN A 240 30.559 35.429 46.660 1.00 24.72 O ATOM 1219 ND2 ASN A 240 31.831 37.246 46.334 1.00 26.43 N ATOM 0 H ASN A 240 30.903 34.741 43.646 1.00 16.41 H new ATOM 0 HA ASN A 240 28.720 35.250 44.916 1.00 18.23 H new ATOM 0 HB2 ASN A 240 30.694 37.089 44.052 1.00 20.96 H new ATOM 0 HB3 ASN A 240 29.488 37.556 44.924 1.00 20.96 H new ATOM 0 HD21 ASN A 240 32.304 37.083 47.033 1.00 26.43 H new ATOM 0 HD22 ASN A 240 32.001 37.937 45.851 1.00 26.43 H new ATOM 1220 N GLY A 241 28.712 36.347 41.912 1.00 16.66 N ATOM 1221 CA GLY A 241 27.863 36.847 40.845 1.00 14.57 C ATOM 1222 C GLY A 241 26.679 35.953 40.521 1.00 14.84 C ATOM 1223 O GLY A 241 25.541 36.423 40.425 1.00 14.75 O ATOM 0 H GLY A 241 29.522 36.178 41.678 1.00 16.66 H new ATOM 0 HA2 GLY A 241 27.534 37.726 41.092 1.00 14.57 H new ATOM 0 HA3 GLY A 241 28.399 36.959 40.044 1.00 14.57 H new ATOM 1224 N ILE A 242 26.928 34.658 40.355 1.00 13.67 N ATOM 1225 CA ILE A 242 25.842 33.747 40.025 1.00 13.42 C ATOM 1226 C ILE A 242 24.908 33.515 41.218 1.00 13.11 C ATOM 1227 O ILE A 242 23.696 33.370 41.047 1.00 13.22 O ATOM 1228 CB ILE A 242 26.368 32.410 39.428 1.00 12.82 C ATOM 1229 CG1 ILE A 242 25.252 31.704 38.658 1.00 12.62 C ATOM 1230 CG2 ILE A 242 26.948 31.504 40.510 1.00 12.80 C ATOM 1231 CD1 ILE A 242 24.768 32.471 37.440 1.00 13.62 C ATOM 0 H ILE A 242 27.703 34.293 40.428 1.00 13.67 H new ATOM 0 HA ILE A 242 25.313 34.175 39.333 1.00 13.42 H new ATOM 0 HB ILE A 242 27.088 32.615 38.811 1.00 12.82 H new ATOM 0 HG12 ILE A 242 25.567 30.831 38.376 1.00 12.62 H new ATOM 0 HG13 ILE A 242 24.502 31.555 39.255 1.00 12.62 H new ATOM 0 HG21 ILE A 242 27.266 30.681 40.107 1.00 12.80 H new ATOM 0 HG22 ILE A 242 27.686 31.955 40.949 1.00 12.80 H new ATOM 0 HG23 ILE A 242 26.261 31.299 41.163 1.00 12.80 H new ATOM 0 HD11 ILE A 242 24.064 31.969 37.000 1.00 13.62 H new ATOM 0 HD12 ILE A 242 24.425 33.335 37.717 1.00 13.62 H new ATOM 0 HD13 ILE A 242 25.506 32.599 36.824 1.00 13.62 H new ATOM 1232 N GLN A 243 25.462 33.541 42.425 1.00 14.32 N ATOM 1233 CA GLN A 243 24.657 33.339 43.621 1.00 15.37 C ATOM 1234 C GLN A 243 23.762 34.541 43.931 1.00 16.57 C ATOM 1235 O GLN A 243 22.681 34.387 44.501 1.00 16.31 O ATOM 1236 CB GLN A 243 25.542 32.975 44.814 1.00 14.63 C ATOM 1237 CG GLN A 243 26.125 31.577 44.703 1.00 15.18 C ATOM 1238 CD GLN A 243 26.795 31.098 45.977 1.00 17.82 C ATOM 1239 OE1 GLN A 243 27.183 31.893 46.837 1.00 19.80 O ATOM 1240 NE2 GLN A 243 26.946 29.788 46.100 1.00 15.48 N ATOM 0 H GLN A 243 26.299 33.674 42.572 1.00 14.32 H new ATOM 0 HA GLN A 243 24.062 32.593 43.446 1.00 15.37 H new ATOM 0 HB2 GLN A 243 26.264 33.618 44.885 1.00 14.63 H new ATOM 0 HB3 GLN A 243 25.022 33.041 45.630 1.00 14.63 H new ATOM 0 HG2 GLN A 243 25.418 30.957 44.465 1.00 15.18 H new ATOM 0 HG3 GLN A 243 26.772 31.560 43.980 1.00 15.18 H new ATOM 0 HE21 GLN A 243 26.663 29.263 45.481 1.00 15.48 H new ATOM 0 HE22 GLN A 243 27.327 29.463 46.799 1.00 15.48 H new ATOM 1241 N SER A 244 24.192 35.732 43.525 1.00 17.73 N ATOM 1242 CA SER A 244 23.392 36.926 43.759 1.00 18.76 C ATOM 1243 C SER A 244 22.128 36.866 42.896 1.00 18.42 C ATOM 1244 O SER A 244 21.083 37.399 43.270 1.00 18.26 O ATOM 1245 CB SER A 244 24.205 38.196 43.473 1.00 19.90 C ATOM 1246 OG SER A 244 24.582 38.283 42.112 1.00 25.83 O ATOM 0 H SER A 244 24.936 35.868 43.117 1.00 17.73 H new ATOM 0 HA SER A 244 23.132 36.958 44.693 1.00 18.76 H new ATOM 0 HB2 SER A 244 23.682 38.976 43.714 1.00 19.90 H new ATOM 0 HB3 SER A 244 24.999 38.204 44.030 1.00 19.90 H new ATOM 0 HG SER A 244 24.887 37.543 41.858 1.00 25.83 H new ATOM 1247 N LEU A 245 22.227 36.187 41.755 1.00 18.36 N ATOM 1248 CA LEU A 245 21.097 36.038 40.844 1.00 19.23 C ATOM 1249 C LEU A 245 20.157 34.910 41.256 1.00 20.04 C ATOM 1250 O LEU A 245 18.935 35.061 41.216 1.00 20.11 O ATOM 1251 CB LEU A 245 21.579 35.779 39.409 1.00 18.35 C ATOM 1252 CG LEU A 245 22.163 36.922 38.577 1.00 18.99 C ATOM 1253 CD1 LEU A 245 22.589 36.390 37.218 1.00 19.23 C ATOM 1254 CD2 LEU A 245 21.142 38.034 38.414 1.00 18.56 C ATOM 0 H LEU A 245 22.948 35.802 41.489 1.00 18.36 H new ATOM 0 HA LEU A 245 20.607 36.874 40.885 1.00 19.23 H new ATOM 0 HB2 LEU A 245 22.252 35.082 39.453 1.00 18.35 H new ATOM 0 HB3 LEU A 245 20.828 35.417 38.914 1.00 18.35 H new ATOM 0 HG LEU A 245 22.937 37.287 39.034 1.00 18.99 H new ATOM 0 HD11 LEU A 245 22.960 37.113 36.689 1.00 19.23 H new ATOM 0 HD12 LEU A 245 23.260 35.700 37.336 1.00 19.23 H new ATOM 0 HD13 LEU A 245 21.819 36.017 36.761 1.00 19.23 H new ATOM 0 HD21 LEU A 245 21.526 38.751 37.885 1.00 18.56 H new ATOM 0 HD22 LEU A 245 20.355 37.688 37.966 1.00 18.56 H new ATOM 0 HD23 LEU A 245 20.892 38.375 39.287 1.00 18.56 H new ATOM 1255 N TYR A 246 20.723 33.775 41.646 1.00 21.02 N ATOM 1256 CA TYR A 246 19.903 32.632 42.006 1.00 25.19 C ATOM 1257 C TYR A 246 19.915 32.295 43.492 1.00 29.67 C ATOM 1258 O TYR A 246 18.999 32.692 44.218 1.00 34.39 O ATOM 1259 CB TYR A 246 20.260 31.446 41.101 1.00 21.86 C ATOM 1260 CG TYR A 246 20.067 31.797 39.632 1.00 19.15 C ATOM 1261 CD1 TYR A 246 18.789 31.860 39.078 1.00 17.83 C ATOM 1262 CD2 TYR A 246 21.148 32.174 38.828 1.00 17.80 C ATOM 1263 CE1 TYR A 246 18.588 32.297 37.773 1.00 17.32 C ATOM 1264 CE2 TYR A 246 20.954 32.615 37.511 1.00 15.92 C ATOM 1265 CZ TYR A 246 19.672 32.677 36.997 1.00 16.18 C ATOM 1266 OH TYR A 246 19.456 33.143 35.724 1.00 16.02 O ATOM 0 H TYR A 246 21.571 33.648 41.708 1.00 21.02 H new ATOM 0 HA TYR A 246 18.976 32.870 41.848 1.00 25.19 H new ATOM 0 HB2 TYR A 246 21.181 31.184 41.255 1.00 21.86 H new ATOM 0 HB3 TYR A 246 19.706 30.683 41.329 1.00 21.86 H new ATOM 0 HD1 TYR A 246 18.057 31.605 39.591 1.00 17.83 H new ATOM 0 HD2 TYR A 246 22.011 32.131 39.173 1.00 17.80 H new ATOM 0 HE1 TYR A 246 17.728 32.334 37.422 1.00 17.32 H new ATOM 0 HE2 TYR A 246 21.682 32.864 36.988 1.00 15.92 H new ATOM 0 HH TYR A 246 20.162 33.488 35.428 1.00 16.02 H new ATOM 1267 N GLY A 247 20.935 31.594 43.964 1.00 33.34 N ATOM 1268 CA GLY A 247 20.980 31.275 45.379 1.00 37.74 C ATOM 1269 C GLY A 247 22.114 30.343 45.751 1.00 39.96 C ATOM 1270 O GLY A 247 22.943 30.020 44.873 1.00 42.60 O ATOM 1271 OXT GLY A 247 22.159 29.906 46.919 1.00 42.45 O ATOM 0 H GLY A 247 21.594 31.301 43.496 1.00 33.34 H new ATOM 0 HA2 GLY A 247 21.067 32.097 45.886 1.00 37.74 H new ATOM 0 HA3 GLY A 247 20.138 30.869 45.639 1.00 37.74 H new TER 1272 GLY A 247 HETATM 1273 ZN ZN A 257 31.977 36.987 27.820 1.00 13.92 ZN HETATM 1274 ZN ZN A 258 25.083 33.866 16.743 1.00 15.46 ZN HETATM 1275 CA CA A 259 36.235 34.061 15.272 1.00 14.37 CA HETATM 1276 CA CA A 260 16.573 30.365 24.072 1.00 15.61 CA HETATM 1277 CA CA A 261 36.312 24.375 13.647 1.00 16.49 CA HETATM 1278 C1 L04 A 256 32.915 37.574 23.197 1.00 11.15 C HETATM 1279 C2 L04 A 256 32.632 36.223 23.870 1.00 12.24 C HETATM 1280 C3 L04 A 256 32.146 36.393 25.314 1.00 12.53 C HETATM 1281 C4 L04 A 256 37.691 41.496 22.865 1.00 18.19 C HETATM 1282 C5 L04 A 256 38.607 31.819 30.387 1.00 15.55 C HETATM 1283 C6 L04 A 256 38.527 32.174 31.730 1.00 15.56 C HETATM 1284 C7 L04 A 256 35.150 35.809 24.366 1.00 12.75 C HETATM 1285 C8 L04 A 256 35.902 34.740 25.164 1.00 12.31 C HETATM 1286 C9 L04 A 256 35.231 34.354 26.455 1.00 14.07 C HETATM 1287 C10 L04 A 256 36.128 33.697 27.458 1.00 13.36 C HETATM 1288 C11 L04 A 256 36.191 32.314 27.553 1.00 13.68 C HETATM 1289 C12 L04 A 256 36.995 31.711 28.502 1.00 14.24 C HETATM 1290 C13 L04 A 256 37.758 32.475 29.380 1.00 15.23 C HETATM 1291 C14 L04 A 256 37.699 33.860 29.285 1.00 13.28 C HETATM 1292 C15 L04 A 256 36.892 34.463 28.331 1.00 14.46 C HETATM 1293 C16 L04 A 256 36.040 36.268 23.220 1.00 14.87 C HETATM 1294 C17 L04 A 256 39.330 31.550 32.679 1.00 17.11 C HETATM 1295 C18 L04 A 256 33.825 35.266 23.832 1.00 10.55 C HETATM 1296 C19 L04 A 256 37.942 37.614 22.542 1.00 16.36 C HETATM 1297 C20 L04 A 256 38.262 39.093 22.767 1.00 16.42 C HETATM 1298 C21 L04 A 256 37.108 40.099 22.744 1.00 17.53 C HETATM 1299 C22 L04 A 256 36.292 39.963 21.459 1.00 17.15 C HETATM 1300 C23 L04 A 256 31.701 38.480 23.078 1.00 11.37 C HETATM 1301 C24 L04 A 256 32.025 39.735 22.279 1.00 12.27 C HETATM 1302 C25 L04 A 256 30.923 40.778 22.396 1.00 11.66 C HETATM 1303 C26 L04 A 256 28.707 39.881 22.838 1.00 13.83 C HETATM 1304 C27 L04 A 256 39.215 36.785 22.671 1.00 16.62 C HETATM 1305 C28 L04 A 256 29.130 40.209 20.550 1.00 12.46 C HETATM 1306 C29 L04 A 256 27.523 39.383 22.127 1.00 14.23 C HETATM 1307 C30 L04 A 256 40.796 35.458 21.360 1.00 19.86 C HETATM 1308 C31 L04 A 256 41.097 35.052 20.061 1.00 20.24 C HETATM 1309 C32 L04 A 256 42.218 34.271 19.796 1.00 20.77 C HETATM 1310 C33 L04 A 256 43.054 33.883 20.837 1.00 21.69 C HETATM 1311 C34 L04 A 256 42.766 34.282 22.142 1.00 21.16 C HETATM 1312 C35 L04 A 256 41.642 35.064 22.396 1.00 19.06 C HETATM 1313 C36 L04 A 256 27.758 39.565 20.740 1.00 13.91 C HETATM 1314 C37 L04 A 256 26.333 38.780 22.559 1.00 14.58 C HETATM 1315 C38 L04 A 256 26.798 39.140 19.813 1.00 14.69 C HETATM 1316 C39 L04 A 256 25.626 38.543 20.268 1.00 14.11 C HETATM 1317 C40 L04 A 256 25.399 38.365 21.622 1.00 14.98 C HETATM 1318 C41 L04 A 256 40.215 30.550 32.301 1.00 17.76 C HETATM 1319 C42 L04 A 256 40.303 30.201 30.961 1.00 17.98 C HETATM 1320 C43 L04 A 256 39.507 30.828 30.012 1.00 16.69 C HETATM 1321 N1 L04 A 256 29.623 40.298 21.930 1.00 13.24 N HETATM 1322 N18 L04 A 256 37.002 37.127 23.541 1.00 14.89 N HETATM 1323 N29 L04 A 256 39.672 36.240 21.543 1.00 18.38 N HETATM 1324 O1 L04 A 256 28.862 39.881 24.062 1.00 15.84 O HETATM 1325 O4 L04 A 256 31.264 35.624 25.705 1.00 15.62 O HETATM 1326 O5 L04 A 256 32.625 37.237 26.115 1.00 14.22 O HETATM 1327 O17 L04 A 256 35.861 35.853 22.072 1.00 13.71 O HETATM 1328 O28 L04 A 256 39.724 36.597 23.779 1.00 16.91 O HETATM 1329 F1 L04 A 256 40.982 29.922 33.216 1.00 20.37 F HETATM 0 H43A L04 A 256 38.181 41.571 23.699 1.00 18.19 H new HETATM 0 H42A L04 A 256 38.291 41.662 22.121 1.00 18.19 H new HETATM 0 H282 L04 A 256 29.710 39.668 19.992 1.00 12.46 H new HETATM 0 H281 L04 A 256 29.066 41.081 20.131 1.00 12.46 H new HETATM 0 H252 L04 A 256 30.846 41.056 23.322 1.00 11.66 H new HETATM 0 H251 L04 A 256 31.173 41.563 21.885 1.00 11.66 H new HETATM 0 H242 L04 A 256 32.862 40.112 22.593 1.00 12.27 H new HETATM 0 H241 L04 A 256 32.152 39.501 21.346 1.00 12.27 H new HETATM 0 H232 L04 A 256 30.976 37.999 22.649 1.00 11.37 H new HETATM 0 H231 L04 A 256 31.392 38.728 23.963 1.00 11.37 H new HETATM 0 H223 L04 A 256 35.566 40.606 21.467 1.00 17.15 H new HETATM 0 H222 L04 A 256 36.863 40.131 20.693 1.00 17.15 H new HETATM 0 H221 L04 A 256 35.929 39.066 21.400 1.00 17.15 H new HETATM 0 H202 L04 A 256 38.706 39.172 23.626 1.00 16.42 H new HETATM 0 H201 L04 A 256 38.903 39.363 22.091 1.00 16.42 H new HETATM 0 H182 L04 A 256 33.595 34.473 24.341 1.00 10.55 H new HETATM 0 H181 L04 A 256 33.960 34.985 22.914 1.00 10.55 H new HETATM 0 H12A L04 A 256 33.603 38.037 23.701 1.00 11.15 H new HETATM 0 H11A L04 A 256 33.273 37.413 22.310 1.00 11.15 H new HETATM 0 HN9 L04 A 256 39.206 36.396 20.837 1.00 18.38 H new HETATM 0 HN8 L04 A 256 37.070 37.400 24.354 1.00 14.89 H new HETATM 0 H92 L04 A 256 34.847 35.150 26.856 1.00 14.07 H new HETATM 0 H91 L04 A 256 34.496 33.754 26.256 1.00 14.07 H new HETATM 0 H82 L04 A 256 36.001 33.948 24.613 1.00 12.31 H new HETATM 0 H81 L04 A 256 36.795 35.064 25.359 1.00 12.31 H new HETATM 0 H7 L04 A 256 34.942 36.558 24.946 1.00 12.75 H new HETATM 0 H6 L04 A 256 37.904 32.864 32.007 1.00 15.56 H new HETATM 0 H43 L04 A 256 39.579 30.572 29.079 1.00 16.69 H new HETATM 0 H42 L04 A 256 40.927 29.512 30.684 1.00 17.98 H new HETATM 0 H41 L04 A 256 36.973 42.149 22.852 1.00 18.19 H new HETATM 0 H40 L04 A 256 24.577 37.945 21.919 1.00 14.98 H new HETATM 0 H39 L04 A 256 24.960 38.248 19.628 1.00 14.11 H new HETATM 0 H38 L04 A 256 26.949 39.261 18.862 1.00 14.69 H new HETATM 0 H37 L04 A 256 26.165 38.654 23.506 1.00 14.58 H new HETATM 0 H35 L04 A 256 41.445 35.338 23.305 1.00 19.06 H new HETATM 0 H34 L04 A 256 43.347 34.015 22.871 1.00 21.16 H new HETATM 0 H33 L04 A 256 43.835 33.337 20.656 1.00 21.69 H new HETATM 0 H32 L04 A 256 42.416 33.998 18.887 1.00 20.77 H new HETATM 0 H31 L04 A 256 40.516 35.318 19.331 1.00 20.24 H new HETATM 0 H21 L04 A 256 36.508 39.926 23.486 1.00 17.53 H new HETATM 0 H2 L04 A 256 31.922 35.822 23.345 1.00 12.24 H new HETATM 0 H19 L04 A 256 37.557 37.529 21.656 1.00 16.36 H new HETATM 0 H17 L04 A 256 39.271 31.815 33.610 1.00 17.11 H new HETATM 0 H15 L04 A 256 36.861 35.431 28.272 1.00 14.46 H new HETATM 0 H14 L04 A 256 38.225 34.408 29.889 1.00 13.28 H new HETATM 0 H12 L04 A 256 37.028 30.743 28.557 1.00 14.24 H new HETATM 0 H11 L04 A 256 35.667 31.766 26.948 1.00 13.68 H new HETATM 1330 O HOH A 301 28.672 36.653 24.656 1.00 11.32 O HETATM 1331 O HOH A 302 20.899 17.757 22.652 1.00 14.22 O HETATM 1332 O HOH A 303 24.650 35.712 11.788 1.00 13.00 O HETATM 1333 O HOH A 304 33.291 32.417 11.314 1.00 13.84 O HETATM 1334 O HOH A 305 29.710 38.253 17.738 1.00 16.43 O HETATM 1335 O HOH A 306 14.853 30.782 25.520 1.00 11.46 O HETATM 1336 O HOH A 307 30.313 44.198 29.095 1.00 26.60 O HETATM 1337 O HOH A 308 19.939 20.311 13.870 1.00 17.39 O HETATM 1338 O HOH A 309 20.017 30.078 18.455 1.00 14.42 O HETATM 1339 O HOH A 311 40.518 34.568 33.421 1.00 20.89 O HETATM 1340 O HOH A 312 15.420 28.709 23.004 1.00 17.90 O HETATM 1341 O HOH A 313 38.474 24.438 12.782 1.00 20.41 O HETATM 1342 O HOH A 314 27.633 39.675 36.609 1.00 20.02 O HETATM 1343 O HOH A 315 22.106 16.577 20.403 1.00 20.82 O HETATM 1344 O HOH A 316 12.777 21.377 38.835 1.00 39.75 O HETATM 1345 O HOH A 317 21.825 27.782 19.055 1.00 19.20 O HETATM 1346 O HOH A 318 25.472 46.275 16.302 1.00 25.15 O HETATM 1347 O HOH A 319 37.078 20.724 25.917 1.00 17.42 O HETATM 1348 O HOH A 320 24.437 37.959 29.485 1.00 29.04 O HETATM 1349 O HOH A 322 24.993 38.502 26.651 1.00 23.75 O HETATM 1350 O HOH A 323 34.569 39.483 25.620 1.00 12.13 O HETATM 1351 O HOH A 324 12.820 29.542 26.832 1.00 21.70 O HETATM 1352 O HOH A 326 19.166 15.430 18.538 1.00 20.88 O HETATM 1353 O HOH A 327 34.833 25.675 40.302 1.00 27.78 O HETATM 1354 O HOH A 328 16.267 29.553 19.748 1.00 21.00 O HETATM 1355 O HOH A 329 27.623 38.940 26.405 1.00 28.98 O HETATM 1356 O HOH A 330 20.229 15.899 30.968 1.00 30.15 O HETATM 1357 O HOH A 331 20.264 38.417 16.859 1.00 27.43 O HETATM 1358 O HOH A 332 35.662 23.629 11.554 1.00 19.69 O HETATM 1359 O HOH A 333 41.096 30.580 18.490 1.00 37.21 O HETATM 1360 O HOH A 334 32.077 24.928 40.249 1.00 19.38 O HETATM 1361 O HOH A 335 29.565 40.609 14.346 1.00 38.64 O HETATM 1362 O HOH A 336 21.308 31.818 14.854 1.00 31.97 O HETATM 1363 O HOH A 337 30.467 38.147 36.737 1.00 28.22 O HETATM 1364 O HOH A 338 36.034 17.970 25.763 1.00 31.73 O HETATM 1365 O HOH A 339 14.125 15.147 23.929 1.00 28.10 O HETATM 1366 O HOH A 341 11.289 26.089 37.894 1.00 48.03 O HETATM 1367 O HOH A 345 23.152 28.665 14.795 1.00 31.44 O HETATM 1368 O HOH A 346 12.253 32.855 32.494 1.00 31.54 O HETATM 1369 O HOH A 348 31.524 38.149 15.566 1.00 24.63 O HETATM 1370 O HOH A 349 38.218 19.771 28.364 1.00 33.25 O HETATM 1371 O HOH A 351 38.971 28.439 8.517 1.00 45.88 O HETATM 1372 O HOH A 352 41.348 37.027 10.340 1.00 31.10 O HETATM 1373 O HOH A 354 27.300 28.070 9.850 1.00 34.23 O HETATM 1374 O HOH A 355 40.559 19.250 18.123 1.00 34.53 O HETATM 1375 O HOH A 356 33.087 43.536 29.489 1.00 15.65 O HETATM 1376 O HOH A 357 15.890 24.114 40.859 1.00 22.17 O HETATM 1377 O HOH A 358 24.453 45.701 18.754 1.00 26.47 O HETATM 1378 O HOH A 359 19.790 17.980 18.680 1.00 17.37 O HETATM 1379 O HOH A 360 32.750 36.973 37.720 1.00 21.39 O HETATM 1380 O HOH A 361 19.401 22.861 12.991 1.00 27.63 O HETATM 1381 O HOH A 362 34.347 42.914 38.557 1.00 31.07 O HETATM 1382 O HOH A 363 41.551 18.320 20.953 1.00 34.53 O HETATM 1383 O HOH A 365 15.835 23.016 15.475 1.00 28.83 O HETATM 1384 O HOH A 366 43.132 36.685 29.488 1.00 37.73 O HETATM 1385 O HOH A 367 38.555 30.835 36.536 1.00 39.31 O HETATM 1386 O HOH A 368 42.007 44.071 33.240 1.00 26.75 O HETATM 1387 O HOH A 369 31.266 16.282 16.908 1.00 35.55 O HETATM 1388 O HOH A 370 35.719 40.956 14.830 1.00 41.92 O HETATM 1389 O HOH A 371 42.567 31.921 35.154 1.00 34.74 O HETATM 1390 O HOH A 372 35.623 26.061 9.463 1.00 36.15 O HETATM 1391 O HOH A 374 32.475 40.531 14.441 1.00 46.66 O HETATM 1392 O HOH A 375 22.448 39.497 25.565 1.00 33.83 O HETATM 1393 O HOH A 376 34.969 31.245 6.762 1.00 44.00 O HETATM 1394 O HOH A 377 11.259 19.390 22.829 1.00 40.17 O HETATM 1395 O HOH A 378 32.833 20.597 35.946 1.00 38.62 O HETATM 1396 O HOH A 379 22.627 14.073 19.514 1.00 30.92 O HETATM 1397 O HOH A 380 29.709 41.233 29.728 1.00 24.53 O HETATM 1398 O HOH A 383 32.028 11.491 16.333 1.00 39.19 O HETATM 1399 O HOH A 384 40.501 34.566 30.696 1.00 49.23 O HETATM 1400 O HOH A 385 39.525 26.561 11.302 1.00 50.56 O HETATM 1401 O HOH A 388 42.511 41.507 38.885 1.00 49.02 O HETATM 1402 O HOH A 389 9.843 22.545 21.160 1.00 47.49 O HETATM 1403 O HOH A 390 27.464 34.489 47.708 1.00 37.03 O HETATM 1404 O HOH A 391 26.163 36.624 46.492 1.00 40.22 O HETATM 1405 O HOH A 393 19.623 27.198 17.577 1.00 44.27 O HETATM 1406 O HOH A 395 41.027 40.496 19.341 1.00 44.52 O HETATM 1407 O HOH A 396 40.256 18.120 13.935 1.00 60.72 O HETATM 1408 O HOH A 398 12.171 23.555 27.624 1.00 38.30 O HETATM 1409 O HOH A 399 39.555 31.630 39.515 1.00 44.89 O HETATM 1410 O HOH A 400 42.099 38.662 23.154 1.00 41.51 O HETATM 1411 O HOH A 401 14.112 35.326 19.497 1.00 38.45 O HETATM 1412 O HOH A 402 38.351 23.422 9.917 1.00 64.83 O HETATM 1413 O HOH A 405 11.763 30.183 23.827 1.00 35.61 O HETATM 1414 O HOH A 406 11.368 25.897 26.190 1.00 65.92 O HETATM 1415 O HOH A 407 31.356 9.842 19.726 1.00 43.62 O HETATM 1416 O HOH A 408 29.414 44.349 38.040 1.00 31.30 O HETATM 1417 O HOH A 410 41.360 28.353 16.871 1.00 32.68 O HETATM 1418 O HOH A 411 15.375 22.014 39.224 1.00 34.63 O HETATM 1419 O HOH A 412 38.177 20.498 11.759 1.00 28.97 O HETATM 1420 O HOH A 413 32.751 23.556 10.345 1.00 38.71 O HETATM 1421 O HOH A 414 20.373 26.870 15.051 1.00 44.89 O HETATM 1422 O HOH A 415 14.065 12.965 22.061 1.00 45.57 O HETATM 1423 O HOH A 416 30.386 11.841 26.515 1.00 43.48 O HETATM 1424 O HOH A 417 43.789 37.104 25.170 1.00 42.75 O HETATM 1425 O HOH A 419 44.250 41.135 30.038 1.00 53.38 O HETATM 1426 O HOH A 420 24.053 39.889 31.306 1.00 44.25 O HETATM 1427 O HOH A 421 29.515 24.045 11.870 1.00 49.81 O HETATM 1428 O HOH A 423 14.625 32.745 39.443 1.00 37.60 O HETATM 1429 O HOH A 424 38.312 30.820 7.253 1.00 53.51 O HETATM 1430 O HOH A 426 14.288 14.449 26.801 1.00 45.81 O HETATM 1431 O HOH A 427 14.070 37.608 21.435 1.00 56.18 O HETATM 1432 O HOH A 429 38.945 20.840 35.474 1.00 42.21 O HETATM 1433 O HOH A 431 25.964 43.021 12.963 1.00 54.21 O HETATM 1434 O HOH A 432 20.896 18.202 36.803 1.00 49.11 O HETATM 1435 O HOH A 433 42.065 37.042 13.812 1.00 39.34 O HETATM 1436 O HOH A 434 31.895 43.525 37.195 1.00 43.84 O HETATM 1437 O HOH A 435 16.943 27.877 17.403 1.00 42.44 O HETATM 1438 O HOH A 438 24.136 26.404 13.426 1.00 47.05 O HETATM 1439 O HOH A 439 22.890 17.272 31.623 1.00 50.71 O HETATM 1440 O HOH A 440 20.084 12.690 28.138 1.00 54.69 O HETATM 1441 O HOH A 441 10.653 21.103 28.526 1.00 53.42 O HETATM 1442 O HOH A 444 21.259 24.783 13.577 1.00 45.80 O HETATM 1443 O HOH A 445 17.286 25.804 15.498 1.00 51.17 O HETATM 1444 O HOH A 446 16.323 32.760 41.717 1.00 45.06 O HETATM 1445 O HOH A 448 47.809 27.350 38.617 1.00 55.46 O HETATM 1446 O HOH A 449 34.216 12.074 26.489 1.00 42.60 O HETATM 1447 O HOH A 451 45.535 36.380 22.564 1.00 50.20 O HETATM 1448 O HOH A 454 11.579 31.984 28.465 1.00 53.87 O HETATM 1449 O HOH A 455 10.718 21.727 24.099 1.00 53.55 O HETATM 1450 O HOH A 459 47.059 31.801 33.098 1.00 50.69 O HETATM 1451 O HOH A 461 29.220 41.798 37.030 1.00 42.04 O HETATM 1452 O HOH A 463 13.157 28.133 42.100 1.00 52.42 O HETATM 1453 O HOH A 464 43.815 36.329 32.265 1.00 48.79 O HETATM 1454 O HOH A 465 12.447 24.477 31.126 1.00 47.59 O HETATM 1455 O HOH A 466 46.213 37.177 36.149 1.00 46.64 O HETATM 1456 O HOH A 467 32.452 37.807 8.571 1.00 42.51 O HETATM 1457 O HOH A 468 42.065 28.447 13.812 1.00 36.33 O HETATM 1458 O HOH A 469 12.717 36.078 31.532 1.00 56.45 O HETATM 1459 O HOH A 470 26.720 31.998 50.049 1.00 47.21 O HETATM 1460 O HOH A 471 38.651 36.615 8.395 1.00 54.35 O HETATM 1461 O HOH A 472 34.862 22.162 8.995 1.00 54.59 O HETATM 1462 O HOH A 473 14.176 43.962 38.020 1.00 57.20 O HETATM 1463 O HOH A 474 28.344 25.493 9.486 1.00 52.01 O HETATM 1464 O HOH A 475 37.171 14.775 14.994 1.00 39.44 O HETATM 1465 O HOH A 476 35.038 27.358 6.855 1.00 45.80 O HETATM 1466 O HOH A 477 22.152 41.373 29.966 1.00 39.60 O HETATM 1467 O HOH A 478 47.370 28.019 33.911 1.00 51.98 O HETATM 1468 O HOH A 479 17.277 30.307 42.338 1.00 40.21 O HETATM 1469 O HOH A 480 41.079 39.919 11.979 1.00 50.23 O HETATM 1470 O HOH A 481 35.937 17.762 28.494 1.00 48.00 O HETATM 1471 O HOH A 485 38.905 36.975 12.864 1.00 36.42 O HETATM 1472 O HOH A 496 27.060 44.721 14.745 1.00 40.61 O CONECT 173 1277 CONECT 174 1277 CONECT 438 1276 CONECT 525 1274 CONECT 537 1274 CONECT 585 1275 CONECT 590 1275 CONECT 601 1275 CONECT 613 1275 CONECT 639 1274 CONECT 683 1276 CONECT 695 1276 CONECT 710 1276 CONECT 723 1274 CONECT 745 1275 CONECT 749 1277 CONECT 752 1277 CONECT 765 1277 CONECT 770 1275 CONECT 904 1273 CONECT 935 1273 CONECT 982 1273 CONECT 1273 904 935 982 1325 CONECT 1273 1326 CONECT 1274 525 537 639 723 CONECT 1275 585 590 601 613 CONECT 1275 745 770 CONECT 1276 438 683 695 710 CONECT 1276 1335 1340 CONECT 1277 173 174 749 752 CONECT 1277 765 1341 1358 CONECT 1278 1279 1300 CONECT 1279 1278 1280 1295 CONECT 1280 1279 1325 1326 CONECT 1281 1298 CONECT 1282 1283 1290 1320 CONECT 1283 1282 1294 CONECT 1284 1285 1293 1295 CONECT 1285 1284 1286 CONECT 1286 1285 1287 CONECT 1287 1286 1288 1292 CONECT 1288 1287 1289 CONECT 1289 1288 1290 CONECT 1290 1282 1289 1291 CONECT 1291 1290 1292 CONECT 1292 1287 1291 CONECT 1293 1284 1322 1327 CONECT 1294 1283 1318 CONECT 1295 1279 1284 CONECT 1296 1297 1304 1322 CONECT 1297 1296 1298 CONECT 1298 1281 1297 1299 CONECT 1299 1298 CONECT 1300 1278 1301 CONECT 1301 1300 1302 CONECT 1302 1301 1321 CONECT 1303 1306 1321 1324 CONECT 1304 1296 1323 1328 CONECT 1305 1313 1321 CONECT 1306 1303 1313 1314 CONECT 1307 1308 1312 1323 CONECT 1308 1307 1309 CONECT 1309 1308 1310 CONECT 1310 1309 1311 CONECT 1311 1310 1312 CONECT 1312 1307 1311 CONECT 1313 1305 1306 1315 CONECT 1314 1306 1317 CONECT 1315 1313 1316 CONECT 1316 1315 1317 CONECT 1317 1314 1316 CONECT 1318 1294 1319 1329 CONECT 1319 1318 1320 CONECT 1320 1282 1319 CONECT 1321 1302 1303 1305 CONECT 1322 1293 1296 CONECT 1323 1304 1307 CONECT 1324 1303 CONECT 1325 1273 1280 CONECT 1326 1273 1280 CONECT 1327 1293 CONECT 1328 1304 CONECT 1329 1318 CONECT 1335 1276 CONECT 1340 1276 CONECT 1341 1277 CONECT 1358 1277 END