HEADER SERINE HYDROLASE 23-JUN-96 2ACE TITLE NATIVE ACETYLCHOLINESTERASE (E.C. 3.1.1.7) FROM TORPEDO TITLE 2 CALIFORNICA COMPND MOL_ID: 1; COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; COMPND 3 CHAIN: NULL; COMPND 4 EC: 3.1.1.7; COMPND 5 BIOLOGICAL_UNIT: DIMER IN SOLUTION, ACTIVE AS MONOMER SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; SOURCE 3 ORGANISM_COMMON: PACIFIC ELECTRIC RAY; SOURCE 4 VARIANT: G2 FORM; SOURCE 5 ORGAN: ELECTRIC ORGAN; SOURCE 6 TISSUE: ELECTROPLAQUE KEYWDS SERINE HYDROLASE, NEUROTRANSMITTER CLEAVAGE, CATALYTIC KEYWDS 2 TRIAD, ALPHA/BETA HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR M.HAREL,M.L.RAVES,I.SILMAN,J.L.SUSSMAN REVDAT 1 08-NOV-96 2ACE 0 SPRSDE 08-NOV-96 2ACE 1ACE JRNL AUTH M.L.RAVES,M.HAREL,Y.-P.PANG,I.SILMAN, JRNL AUTH 2 A.P.KOZIKOWSKI,J.L.SUSSMAN JRNL TITL 3D STRUCTURE OF ACETYLCHOLINESTERASE COMPLEXED WITH JRNL TITL 2 THE NOOTROPIC ALKALOID, (-)-HUPERZINE A JRNL REF TO BE PUBLISHED JRNL REFN 0353 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH G.BUCHT,K.HJALMARSSON REMARK 1 TITL RESIDUES IN TORPEDO CALIFORNICA REMARK 1 TITL 2 ACETYLCHOLINESTERASE NECESSARY FOR PROCESSING TO A REMARK 1 TITL 3 GLYCOSYL PHOSPHATIDYLINOSITOL-ANCHORED FORM REMARK 1 REF BIOCHIM.BIOPHYS.ACTA V.1292 223 1996 REMARK 1 REFN ASTM BBACAQ NE ISSN 0006-3002 0113 REMARK 1 REFERENCE 2 REMARK 1 AUTH P.H.AXELSEN,M.HAREL,I.SILMAN,J.L.SUSSMAN REMARK 1 TITL STRUCTURE AND DYNAMICS OF THE ACTIVE SITE GORGE OF REMARK 1 TITL 2 ACETYLCHOLINESTERASE: SYNERGISTIC USE OF MOLECULAR REMARK 1 TITL 3 DYNAMICS SIMULATION AND X-RAY CRYSTALLOGRAPHY REMARK 1 REF PROTEIN SCI. V. 3 188 1994 REMARK 1 REFN ASTM PRCIEI US ISSN 0961-8368 0795 REMARK 1 REFERENCE 3 REMARK 1 AUTH M.HAREL,I.SCHALK,L.EHRET-SABATIER,F.BOUET, REMARK 1 AUTH 2 M.GOELDNER,C.HIRTH,P.H.AXELSEN,I.SILMAN, REMARK 1 AUTH 3 J.L.SUSSMAN REMARK 1 TITL QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN REMARK 1 TITL 2 THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE REMARK 1 REF PROC.NAT.ACAD.SCI.USA V. 90 9031 1993 REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 0040 REMARK 1 REFERENCE 4 REMARK 1 AUTH J.L.SUSSMAN,M.HAREL,F.FROLOW,C.OEFNER,A.GOLDMAN, REMARK 1 AUTH 2 L.TOKER,I.SILMAN REMARK 1 TITL ATOMIC STRUCTURE OF ACETYLCHOLINESTERASE FROM REMARK 1 TITL 2 TORPEDO CALIFORNICA: A PROTOTYPIC REMARK 1 TITL 3 ACETYLCHOLINE-BINDING PROTEIN REMARK 1 REF SCIENCE V. 253 872 1991 REMARK 1 REFN ASTM SCIEAS US ISSN 0036-8075 0038 REMARK 1 REFERENCE 5 REMARK 1 AUTH J.L.SUSSMAN,M.HAREL,F.FROLOW,L.VARON,L.TOKER, REMARK 1 AUTH 2 A.H.FUTERMAN,I.SILMAN REMARK 1 TITL PURIFICATION AND CRYSTALLIZATION OF A DIMERIC FORM REMARK 1 TITL 2 OF ACETYLCHOLINESTERASE FROM TORPEDO CALIFORNICA REMARK 1 TITL 3 SUBSEQUENT TO SOLUBILIZATION WITH REMARK 1 TITL 4 PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C REMARK 1 REF J.MOL.BIOL. V. 203 821 1988 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 0070 REMARK 1 REFERENCE 6 REMARK 1 AUTH M.SCHUMACHER,S.CAMP,Y.MAULET,M.NEWTON, REMARK 1 AUTH 2 K.MACPHEE-QUIGLEY,S.S.TAYLOR,T.FRIEDMANN,P.TAYLOR REMARK 1 TITL PRIMARY STRUCTURE OF TORPEDO CALIFORNICA REMARK 1 TITL 2 ACETYLCHOLINESTERASE DEDUCED FROM ITS CDNA REMARK 1 TITL 3 SEQUENCE REMARK 1 REF NATURE V. 319 407 1986 REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 0006 REMARK 2 REMARK 2 RESOLUTION. 2.5 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) : 2.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.0 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 96.6 REMARK 3 NUMBER OF REFLECTIONS : 30035 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) : 0.199 REMARK 3 FREE R VALUE : 0.258 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.2 REMARK 3 FREE R VALUE TEST SET COUNT : 1555 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.006 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.50 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.61 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.3 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3181 REMARK 3 BIN R VALUE (WORKING SET) : 0.308 REMARK 3 BIN FREE R VALUE : 0.390 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.2 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 167 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.025 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 4143 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 204 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 33.9 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 24.5 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) : 0.25 REMARK 3 ESD FROM SIGMAA (A) : 0.27 REMARK 3 LOW RESOLUTION CUTOFF (A) : 8.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.33 REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.016 REMARK 3 BOND ANGLES (DEGREES) : 1.9 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.2 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.60 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.41 ; 1.50 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.26 ; 2.00 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.09 ; 2.00 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.12 ; 2.50 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 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : PARAM11.WAT REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : TOPH11.WAT REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2ACE COMPLIES WITH FORMAT V. 2.1, 25-OCT-1996 REMARK 6 REMARK 6 TORPEDO CALIFONICA ACETYLCHOLINESTERASE IS A G2 DIMER IN REMARK 6 SOLUTION (SEE SUSSMAN 1988). THE ASYMMETRIC UNIT CONTAINS REMARK 6 A MONOMER, WITH THE CRYSTALLOGRAPHIC TWO-FOLD AXIS RELATING REMARK 6 THE TWO MONOMERS IN A DIMER. REMARK 7 REMARK 7 THE ORIGINAL ACETYLCHOLINESTERASE STRUCTURE, 1ACE, WAS REMARK 7 SHOWN TO CONTAIN AN INHIBITOR, DECAMETHONIUM, INSIDE THE REMARK 7 ACTIVE-SITE GORGE (SEE AXELSEN 1994), AND HAS, THEREFORE, REMARK 7 BEEN REPLACED WITH THE CURRENT NATIVE STRUCTURE. REMARK 8 REMARK 8 SEVERAL RESIDUES ARE NOT SEEN IN THE CRYSTAL STRUCTURE, REMARK 8 DUE TO DISORDER. THESE INCLUDE THREE N-TERMINAL RESIDUES REMARK 8 (ASP 1, ASP 2, HIS 3), THE LOOP FROM PRO 485 TO GLU 489 REMARK 8 AND THE C-TERMINAL RESIDUES AFTER THR 535. REMARK 9 REMARK 9 THERE IS RECENT EVIDENCE (SEE BUCHT 1996) THAT THE GPI REMARK 9 ANCHOR IS ATTACHED TO EITHER SER 543 OR SER 544, NOT TO REMARK 9 CYS 537. REMARK 10 REMARK 10 THE NATURAL SUBSTRATE ACETYLCHOLINE, IN AN ALL-TRANS REMARK 10 CONFORMATION, HAS BEEN MANUALLY DOCKED INTO THE ACTIVE REMARK 10 SITE, COVALENTLY BOUND TO SER 200 IN A TETRAHEDRAL REMARK 10 INTERMEDIATE CONFORMATION. THE ACETYLCHOLINE IS A MODEL, REMARK 10 NOT DERIVED FROM THE EXPERIMENTAL DATA. REMARK 11 REMARK 11 THR 535 IS THE LAST RESIDUE OBSERVED AT THE C-TERMINUS. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : OCT-1993 REMARK 200 TEMPERATURE (KELVIN) : 273 REMARK 200 PH : 5.8 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : DESY REMARK 200 BEAMLINE : X11 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.92 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 46243 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.25 REMARK 200 RESOLUTION RANGE LOW (A) : 25.0 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0. REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.6 REMARK 200 DATA REDUNDANCY : 1.9 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.095 REMARK 200 FOR THE DATA SET : 7.4 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.25 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.33 REMARK 200 COMPLETENESS FOR SHELL (%) : 96.7 REMARK 200 DATA REDUNDANCY IN SHELL : 1.8 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.713 REMARK 200 FOR SHELL : 0.9 REMARK 200 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REMARK 200 REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: PDB ENTRY 1ACE REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 68. REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.8 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN WAS CRYSTALLIZED FROM REMARK 280 35% PEG 200, 100 MM MES, PH 5.8, AT 4 DEG. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 Y-X,-X,Z+2/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,2/3-Z REMARK 290 6555 -X,Y-X,1/3-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 -0.500000 -0.866007 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866044 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 45.56847 REMARK 290 SMTRY1 3 -0.500000 0.866007 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866044 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 91.13693 REMARK 290 SMTRY1 4 -0.500000 0.866007 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866044 0.500000 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 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 91.13693 REMARK 290 SMTRY1 6 -0.500000 -0.866007 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866044 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 45.56847 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE REMARK 300 THE ENZYME IS A GPI-ANCHORED DIMER, THE TWO MONOMERS IN REMARK 300 THE DIMER ARE RELATED BY CRYSTALLOGRAPHIC TWO-FOLD REMARK 300 SYMMETRY. REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE 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 APPLY THE FOLLOWING TO CHAINS: NULL REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 56.20500 REMARK 350 BIOMT2 1 0.000000 -1.000000 0.000000 97.35000 REMARK 350 BIOMT3 1 0.000000 0.000000 -1.000000 91.13300 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 HOH 732 LIES ON A SPECIAL POSITION. REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 HIS 26 ND1 CE1 NE2 CD2 REMARK 470 ASN 42 CG OD1 ND2 REMARK 470 ARG 46 CZ NH1 NH2 REMARK 470 GLU 89 CD OE1 OE2 REMARK 470 GLN 162 OE1 NE2 REMARK 470 ARG 250 CZ NH1 NH2 REMARK 470 ASN 257 CG OD1 ND2 REMARK 470 GLU 260 OE1 OE2 REMARK 470 GLU 268 OE1 OE2 REMARK 470 LYS 270 CE NZ REMARK 470 GLU 344 OE1 OE2 REMARK 470 GLU 350 OE1 OE2 REMARK 470 LYS 357 NZ REMARK 470 ASP 365 OD1 OD2 REMARK 470 LYS 413 CD CE NZ REMARK 470 LYS 491 CD CE NZ REMARK 470 LYS 498 CG CD CE NZ REMARK 470 GLU 499 OE1 OE2 REMARK 470 GLU 508 CD OE1 OE2 REMARK 470 LYS 511 CD CE NZ REMARK 470 ARG 515 CZ NH1 NH2 REMARK 470 GLN 526 OE1 NE2 REMARK 470 ASN 533 CG OD1 ND2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. SOME OF THESE MAY BE ATOMS REMARK 500 LOCATED ON SPECIAL POSITIONS IN THE CELL. REMARK 500 REMARK 500 DISTANCE CUTOFF: 2.2 ANGSTROMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH 732 O HOH 732 4556 0.01 REMARK 500 NE2 GLN 374 O HOH 732 4556 2.04 REMARK 500 O HOH 732 NE2 GLN 374 4556 2.04 REMARK 600 REMARK 600 HETEROGEN REMARK 600 ACH 998, ACETYLCHOLINE WAS MANUALLY MODELED IN THE ACTIVE REMARK 600 SITE, AND IS COVALENTLY ATTACHED TO SER 200 IN THE REMARK 600 TETRAHEDRAL INTERMEDIATE STATE. REMARK 650 REMARK 650 HELIX REMARK 650 DETERMINATION METHOD: REMARK 650 AUTHOR-DETERMINED REMARK 700 REMARK 700 SHEET REMARK 700 DETERMINATION METHOD: AUTHOR-DETERMINED REMARK 700 STRAND: B 1; THERE IS A CENTRAL ELEVEN-STRANDED SHEET AND REMARK 700 A SMALL THREE-STRANDED SHEET AT THE N-TERMINUS. REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: CAT REMARK 800 SITE_DESCRIPTION: CATALYTIC TRIAD. REMARK 999 REMARK 999 SEQUENCE REMARK 999 2ACE SWS P04058 1 - 24 NOT IN ATOMS LIST REMARK 999 2ACE SWS P04058 557 - 586 NOT IN ATOMS LIST DBREF 2ACE 4 484 SWS P04058 ACES_TORCA 25 505 DBREF 2ACE 490 535 SWS P04058 ACES_TORCA 511 556 SEQADV 2ACE SWS P04058 PRO 506 GAP IN PDB ENTRY SEQADV 2ACE SWS P04058 HIS 507 GAP IN PDB ENTRY SEQADV 2ACE SWS P04058 SER 508 GAP IN PDB ENTRY SEQADV 2ACE SWS P04058 GLN 509 GAP IN PDB ENTRY SEQADV 2ACE SWS P04058 GLU 510 GAP IN PDB ENTRY SEQRES 1 537 ASP ASP HIS SER GLU LEU LEU VAL ASN THR LYS SER GLY SEQRES 2 537 LYS VAL MET GLY THR ARG VAL PRO VAL LEU SER SER HIS SEQRES 3 537 ILE SER ALA PHE LEU GLY ILE PRO PHE ALA GLU PRO PRO SEQRES 4 537 VAL GLY ASN MET ARG PHE ARG ARG PRO GLU PRO LYS LYS SEQRES 5 537 PRO TRP SER GLY VAL TRP ASN ALA SER THR TYR PRO ASN SEQRES 6 537 ASN CYS GLN GLN TYR VAL ASP GLU GLN PHE PRO GLY PHE SEQRES 7 537 SER GLY SER GLU MET TRP ASN PRO ASN ARG GLU MET SER SEQRES 8 537 GLU ASP CYS LEU TYR LEU ASN ILE TRP VAL PRO SER PRO SEQRES 9 537 ARG PRO LYS SER THR THR VAL MET VAL TRP ILE TYR GLY SEQRES 10 537 GLY GLY PHE TYR SER GLY SER SER THR LEU ASP VAL TYR SEQRES 11 537 ASN GLY LYS TYR LEU ALA TYR THR GLU GLU VAL VAL LEU SEQRES 12 537 VAL SER LEU SER TYR ARG VAL GLY ALA PHE GLY PHE LEU SEQRES 13 537 ALA LEU HIS GLY SER GLN GLU ALA PRO GLY ASN VAL GLY SEQRES 14 537 LEU LEU ASP GLN ARG MET ALA LEU GLN TRP VAL HIS ASP SEQRES 15 537 ASN ILE GLN PHE PHE GLY GLY ASP PRO LYS THR VAL THR SEQRES 16 537 ILE PHE GLY GLU SER ALA GLY GLY ALA SER VAL GLY MET SEQRES 17 537 HIS ILE LEU SER PRO GLY SER ARG ASP LEU PHE ARG ARG SEQRES 18 537 ALA ILE LEU GLN SER GLY SER PRO ASN CYS PRO TRP ALA SEQRES 19 537 SER VAL SER VAL ALA GLU GLY ARG ARG ARG ALA VAL GLU SEQRES 20 537 LEU GLY ARG ASN LEU ASN CYS ASN LEU ASN SER ASP GLU SEQRES 21 537 GLU LEU ILE HIS CYS LEU ARG GLU LYS LYS PRO GLN GLU SEQRES 22 537 LEU ILE ASP VAL GLU TRP ASN VAL LEU PRO PHE ASP SER SEQRES 23 537 ILE PHE ARG PHE SER PHE VAL PRO VAL ILE ASP GLY GLU SEQRES 24 537 PHE PHE PRO THR SER LEU GLU SER MET LEU ASN SER GLY SEQRES 25 537 ASN PHE LYS LYS THR GLN ILE LEU LEU GLY VAL ASN LYS SEQRES 26 537 ASP GLU GLY SER PHE PHE LEU LEU TYR GLY ALA PRO GLY SEQRES 27 537 PHE SER LYS ASP SER GLU SER LYS ILE SER ARG GLU ASP SEQRES 28 537 PHE MET SER GLY VAL LYS LEU SER VAL PRO HIS ALA ASN SEQRES 29 537 ASP LEU GLY LEU ASP ALA VAL THR LEU GLN TYR THR ASP SEQRES 30 537 TRP MET ASP ASP ASN ASN GLY ILE LYS ASN ARG ASP GLY SEQRES 31 537 LEU ASP ASP ILE VAL GLY ASP HIS ASN VAL ILE CYS PRO SEQRES 32 537 LEU MET HIS PHE VAL ASN LYS TYR THR LYS PHE GLY ASN SEQRES 33 537 GLY THR TYR LEU TYR PHE PHE ASN HIS ARG ALA SER ASN SEQRES 34 537 LEU VAL TRP PRO GLU TRP MET GLY VAL ILE HIS GLY TYR SEQRES 35 537 GLU ILE GLU PHE VAL PHE GLY LEU PRO LEU VAL LYS GLU SEQRES 36 537 LEU ASN TYR THR ALA GLU GLU GLU ALA LEU SER ARG ARG SEQRES 37 537 ILE MET HIS TYR TRP ALA THR PHE ALA LYS THR GLY ASN SEQRES 38 537 PRO ASN GLU PRO HIS SER GLN GLU SER LYS TRP PRO LEU SEQRES 39 537 PHE THR THR LYS GLU GLN LYS PHE ILE ASP LEU ASN THR SEQRES 40 537 GLU PRO MET LYS VAL HIS GLN ARG LEU ARG VAL GLN MET SEQRES 41 537 CYS VAL PHE TRP ASN GLN PHE LEU PRO LYS LEU LEU ASN SEQRES 42 537 ALA THR ALA CYS HET ACH 998 10 HETNAM ACH ACETYLCHOLINE FORMUL 2 ACH C7 H16 N1 O2 1+ FORMUL 3 HOH *204(H2 O1) HELIX 1 1A SER 79 ASN 85 1 7 HELIX 2 2A GLY 132 GLU 139 1 8 HELIX 3 3A VAL 168 ASN 183 1 16 HELIX 4 4A SER 200 LEU 211 1 12 HELIX 5 5A VAL 238 LEU 252 1 15 HELIX 6 6A ASP 259 GLU 268 1 10 HELIX 7 7A PRO 271 GLU 278 1 8 HELIX 8 8A LEU 305 SER 311 1 7 HELIX 9 9A SER 329 GLY 335 1 7 HELIX 10 10A ARG 349 VAL 360 1 12 HELIX 11 11A ASP 365 THR 376 1 12 HELIX 12 12A GLY 384 VAL 400 1 17 HELIX 13 13A VAL 400 TYR 411 1 12 HELIX 14 14A GLU 443 PHE 448 1 6 HELIX 15 15A ALA 460 THR 479 1 20 HELIX 16 16A VAL 518 THR 535 1 18 SHEET 1 A 3 LEU 6 THR 10 0 SHEET 2 A 3 GLY 13 MET 16 -1 N VAL 15 O VAL 8 SHEET 3 A 3 VAL 57 ALA 60 1 N TRP 58 O LYS 14 SHEET 1 B11 MET 16 PRO 21 0 SHEET 2 B11 HIS 26 PRO 34 -1 O ALA 29 N THR 18 SHEET 3 B11 TYR 96 PRO 102 -1 N ILE 99 O PHE 30 SHEET 4 B11 VAL 142 SER 147 -1 N LEU 143 O TRP 100 SHEET 5 B11 THR 109 TYR 116 1 N MET 112 O VAL 142 SHEET 6 B11 THR 193 GLU 199 1 O THR 195 N VAL 113 SHEET 7 B11 ARG 220 SER 226 1 N ILE 223 O ILE 196 SHEET 8 B11 GLN 318 ASN 324 1 N GLY 322 O LEU 224 SHEET 9 B11 GLY 417 PHE 423 1 N TYR 421 O LEU 321 SHEET 10 B11 PHE 502 LEU 505 1 N ILE 503 O LEU 420 SHEET 11 B11 MET 510 GLN 514 -1 N HIS 513 O PHE 502 SSBOND 1 CYS 67 CYS 94 SSBOND 2 CYS 254 CYS 265 SSBOND 3 CYS 402 CYS 521 LINK C5 ACH 998 OG SER 200 CISPEP 1 SER 103 PRO 104 0 0.18 SITE 1 CAT 3 SER 200 GLU 327 HIS 440 CRYST1 112.410 112.410 136.700 90.00 90.00 120.00 P 31 2 1 6 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 0.008896 0.005136 0.000000 0.00000 SCALE2 0.000000 0.010272 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007315 0.00000 ATOM 1 N SER 4 -12.542 87.338 34.691 1.00 45.63 N ATOM 2 CA SER 4 -11.865 87.982 35.872 1.00 44.10 C ATOM 3 C SER 4 -10.724 87.090 36.350 1.00 42.02 C ATOM 4 O SER 4 -10.816 85.853 36.285 1.00 42.64 O ATOM 5 CB SER 4 -12.860 88.168 37.030 1.00 46.45 C ATOM 6 OG SER 4 -12.201 88.584 38.249 1.00 48.60 O ATOM 7 N GLU 5 -9.678 87.717 36.883 1.00 39.05 N ATOM 8 CA GLU 5 -8.509 86.999 37.390 1.00 34.59 C ATOM 9 C GLU 5 -8.902 86.053 38.509 1.00 31.22 C ATOM 10 O GLU 5 -8.170 85.123 38.803 1.00 30.96 O ATOM 11 CB GLU 5 -7.503 88.002 37.915 1.00 34.35 C ATOM 12 CG GLU 5 -6.194 87.401 38.248 1.00 36.57 C ATOM 13 CD GLU 5 -5.141 88.455 38.508 1.00 39.29 C ATOM 14 OE1 GLU 5 -5.505 89.585 38.949 1.00 41.36 O ATOM 15 OE2 GLU 5 -3.944 88.153 38.258 1.00 40.16 O ATOM 16 N LEU 6 -10.072 86.283 39.104 1.00 27.93 N ATOM 17 CA LEU 6 -10.549 85.460 40.201 1.00 27.35 C ATOM 18 C LEU 6 -11.604 84.461 39.798 1.00 28.45 C ATOM 19 O LEU 6 -12.010 83.591 40.576 1.00 29.12 O ATOM 20 CB LEU 6 -11.077 86.346 41.317 1.00 26.13 C ATOM 21 CG LEU 6 -10.086 87.414 41.763 1.00 24.28 C ATOM 22 CD1 LEU 6 -10.708 88.197 42.864 1.00 24.95 C ATOM 23 CD2 LEU 6 -8.827 86.777 42.251 1.00 23.62 C ATOM 24 N LEU 7 -12.104 84.590 38.590 1.00 29.38 N ATOM 25 CA LEU 7 -13.101 83.636 38.148 1.00 29.87 C ATOM 26 C LEU 7 -12.321 82.664 37.300 1.00 29.80 C ATOM 27 O LEU 7 -11.556 83.086 36.413 1.00 31.94 O ATOM 28 CB LEU 7 -14.147 84.327 37.297 1.00 31.75 C ATOM 29 CG LEU 7 -15.288 83.419 36.871 1.00 34.00 C ATOM 30 CD1 LEU 7 -16.131 83.081 38.088 1.00 35.28 C ATOM 31 CD2 LEU 7 -16.147 84.139 35.831 1.00 37.55 C ATOM 32 N VAL 8 -12.412 81.382 37.605 1.00 26.83 N ATOM 33 CA VAL 8 -11.703 80.412 36.806 1.00 25.45 C ATOM 34 C VAL 8 -12.642 79.299 36.422 1.00 26.73 C ATOM 35 O VAL 8 -13.614 79.020 37.118 1.00 26.77 O ATOM 36 CB VAL 8 -10.494 79.872 37.534 1.00 23.39 C ATOM 37 CG1 VAL 8 -9.958 78.656 36.837 1.00 22.24 C ATOM 38 CG2 VAL 8 -9.431 80.905 37.532 1.00 21.17 C ATOM 39 N ASN 9 -12.425 78.724 35.254 1.00 27.26 N ATOM 40 CA ASN 9 -13.287 77.645 34.834 1.00 27.31 C ATOM 41 C ASN 9 -12.494 76.391 34.944 1.00 26.09 C ATOM 42 O ASN 9 -11.298 76.373 34.634 1.00 27.68 O ATOM 43 CB ASN 9 -13.715 77.830 33.401 1.00 30.54 C ATOM 44 CG ASN 9 -15.141 78.213 33.290 1.00 31.84 C ATOM 45 OD1 ASN 9 -16.030 77.346 33.336 1.00 33.60 O ATOM 46 ND2 ASN 9 -15.397 79.524 33.177 1.00 33.08 N ATOM 47 N THR 10 -13.143 75.334 35.380 1.00 22.94 N ATOM 48 CA THR 10 -12.445 74.096 35.522 1.00 23.00 C ATOM 49 C THR 10 -13.399 73.053 35.023 1.00 22.60 C ATOM 50 O THR 10 -14.579 73.306 34.915 1.00 22.29 O ATOM 51 CB THR 10 -12.166 73.829 37.012 1.00 23.26 C ATOM 52 OG1 THR 10 -13.412 73.706 37.714 1.00 22.81 O ATOM 53 CG2 THR 10 -11.382 74.947 37.602 1.00 19.73 C ATOM 54 N LYS 11 -12.917 71.847 34.804 1.00 22.16 N ATOM 55 CA LYS 11 -13.795 70.800 34.355 1.00 21.59 C ATOM 56 C LYS 11 -14.849 70.432 35.410 1.00 23.48 C ATOM 57 O LYS 11 -15.738 69.632 35.124 1.00 26.32 O ATOM 58 CB LYS 11 -12.960 69.596 33.958 1.00 19.60 C ATOM 59 CG LYS 11 -11.806 70.011 33.068 1.00 17.31 C ATOM 60 CD LYS 11 -10.930 68.864 32.651 1.00 15.24 C ATOM 61 CE LYS 11 -9.781 69.398 31.890 1.00 13.26 C ATOM 62 NZ LYS 11 -8.725 68.390 31.809 1.00 14.46 N ATOM 63 N SER 12 -14.776 71.008 36.616 1.00 24.15 N ATOM 64 CA SER 12 -15.766 70.707 37.682 1.00 23.78 C ATOM 65 C SER 12 -16.857 71.753 37.851 1.00 22.02 C ATOM 66 O SER 12 -17.963 71.455 38.318 1.00 20.83 O ATOM 67 CB SER 12 -15.071 70.521 39.029 1.00 25.28 C ATOM 68 OG SER 12 -14.287 69.337 39.053 1.00 26.22 O ATOM 69 N GLY 13 -16.520 72.988 37.520 1.00 21.38 N ATOM 70 CA GLY 13 -17.458 74.083 37.619 1.00 21.89 C ATOM 71 C GLY 13 -16.627 75.339 37.685 1.00 23.88 C ATOM 72 O GLY 13 -15.402 75.273 37.614 1.00 24.19 O ATOM 73 N LYS 14 -17.262 76.497 37.739 1.00 27.22 N ATOM 74 CA LYS 14 -16.500 77.746 37.846 1.00 29.06 C ATOM 75 C LYS 14 -16.130 77.880 39.328 1.00 29.19 C ATOM 76 O LYS 14 -16.809 77.314 40.203 1.00 29.22 O ATOM 77 CB LYS 14 -17.338 78.943 37.362 1.00 30.15 C ATOM 78 CG LYS 14 -17.953 78.706 36.000 1.00 31.92 C ATOM 79 CD LYS 14 -18.914 79.791 35.610 1.00 34.75 C ATOM 80 CE LYS 14 -19.663 79.434 34.316 1.00 36.73 C ATOM 81 NZ LYS 14 -20.593 78.255 34.482 1.00 39.24 N ATOM 82 N VAL 15 -15.124 78.689 39.614 1.00 28.44 N ATOM 83 CA VAL 15 -14.622 78.850 40.960 1.00 27.03 C ATOM 84 C VAL 15 -14.327 80.316 41.096 1.00 27.80 C ATOM 85 O VAL 15 -13.732 80.897 40.204 1.00 28.02 O ATOM 86 CB VAL 15 -13.330 78.030 41.067 1.00 25.78 C ATOM 87 CG1 VAL 15 -12.274 78.777 41.758 1.00 26.64 C ATOM 88 CG2 VAL 15 -13.588 76.719 41.730 1.00 25.49 C ATOM 89 N MET 16 -14.679 80.904 42.230 1.00 29.81 N ATOM 90 CA MET 16 -14.481 82.334 42.457 1.00 31.26 C ATOM 91 C MET 16 -13.490 82.503 43.593 1.00 31.30 C ATOM 92 O MET 16 -13.786 82.205 44.752 1.00 32.07 O ATOM 93 CB MET 16 -15.835 82.975 42.821 1.00 34.00 C ATOM 94 CG MET 16 -15.844 84.457 43.156 1.00 36.16 C ATOM 95 SD MET 16 -15.753 85.494 41.713 1.00 39.23 S ATOM 96 CE MET 16 -14.609 86.772 42.316 1.00 38.52 C ATOM 97 N GLY 17 -12.297 82.941 43.260 1.00 31.28 N ATOM 98 CA GLY 17 -11.290 83.110 44.275 1.00 32.21 C ATOM 99 C GLY 17 -11.410 84.442 44.955 1.00 32.53 C ATOM 100 O GLY 17 -12.465 85.054 44.976 1.00 34.16 O ATOM 101 N THR 18 -10.315 84.871 45.547 1.00 32.60 N ATOM 102 CA THR 18 -10.254 86.131 46.235 1.00 32.94 C ATOM 103 C THR 18 -8.814 86.508 46.070 1.00 32.78 C ATOM 104 O THR 18 -7.961 85.637 45.840 1.00 32.60 O ATOM 105 CB THR 18 -10.507 85.971 47.712 1.00 33.82 C ATOM 106 OG1 THR 18 -10.348 87.247 48.340 1.00 36.62 O ATOM 107 CG2 THR 18 -9.491 85.021 48.324 1.00 34.59 C ATOM 108 N ARG 19 -8.515 87.786 46.183 1.00 33.67 N ATOM 109 CA ARG 19 -7.131 88.172 46.014 1.00 34.94 C ATOM 110 C ARG 19 -6.609 88.521 47.372 1.00 33.75 C ATOM 111 O ARG 19 -7.282 89.189 48.149 1.00 34.61 O ATOM 112 CB ARG 19 -6.993 89.329 45.037 1.00 37.26 C ATOM 113 CG ARG 19 -7.326 90.672 45.560 1.00 41.67 C ATOM 114 CD ARG 19 -6.895 91.718 44.524 1.00 46.63 C ATOM 115 NE ARG 19 -5.579 91.385 43.958 1.00 51.81 N ATOM 116 CZ ARG 19 -4.794 92.248 43.298 1.00 55.30 C ATOM 117 NH1 ARG 19 -5.181 93.532 43.127 1.00 56.43 N ATOM 118 NH2 ARG 19 -3.650 91.812 42.729 1.00 56.12 N ATOM 119 N VAL 20 -5.466 87.958 47.709 1.00 33.31 N ATOM 120 CA VAL 20 -4.877 88.192 49.011 1.00 32.19 C ATOM 121 C VAL 20 -3.681 89.120 48.875 1.00 30.88 C ATOM 122 O VAL 20 -3.028 89.154 47.823 1.00 30.61 O ATOM 123 CB VAL 20 -4.435 86.855 49.606 1.00 32.76 C ATOM 124 CG1 VAL 20 -5.663 85.954 49.780 1.00 32.59 C ATOM 125 CG2 VAL 20 -3.435 86.168 48.653 1.00 32.13 C ATOM 126 N PRO 21 -3.441 89.966 49.884 1.00 29.59 N ATOM 127 CA PRO 21 -2.289 90.875 49.789 1.00 28.73 C ATOM 128 C PRO 21 -1.058 90.106 50.196 1.00 27.42 C ATOM 129 O PRO 21 -1.153 89.246 51.060 1.00 27.29 O ATOM 130 CB PRO 21 -2.626 91.965 50.808 1.00 29.00 C ATOM 131 CG PRO 21 -3.453 91.208 51.850 1.00 29.07 C ATOM 132 CD PRO 21 -4.327 90.311 51.011 1.00 29.02 C ATOM 133 N VAL 22 0.071 90.354 49.542 1.00 27.18 N ATOM 134 CA VAL 22 1.324 89.669 49.864 1.00 27.36 C ATOM 135 C VAL 22 2.419 90.698 49.734 1.00 28.56 C ATOM 136 O VAL 22 2.452 91.424 48.740 1.00 30.08 O ATOM 137 CB VAL 22 1.733 88.593 48.837 1.00 25.53 C ATOM 138 CG1 VAL 22 2.712 87.644 49.479 1.00 24.02 C ATOM 139 CG2 VAL 22 0.546 87.879 48.257 1.00 23.49 C ATOM 140 N LEU 23 3.335 90.708 50.694 1.00 29.02 N ATOM 141 CA LEU 23 4.472 91.612 50.705 1.00 30.92 C ATOM 142 C LEU 23 4.298 92.866 49.851 1.00 32.74 C ATOM 143 O LEU 23 4.961 93.024 48.822 1.00 33.96 O ATOM 144 CB LEU 23 5.710 90.865 50.234 1.00 30.74 C ATOM 145 CG LEU 23 5.972 89.527 50.913 1.00 30.71 C ATOM 146 CD1 LEU 23 6.907 88.670 50.094 1.00 31.74 C ATOM 147 CD2 LEU 23 6.550 89.793 52.253 1.00 31.46 C ATOM 148 N SER 24 3.360 93.720 50.216 1.00 33.71 N ATOM 149 CA SER 24 3.172 94.950 49.443 1.00 36.41 C ATOM 150 C SER 24 2.825 94.636 47.993 1.00 35.29 C ATOM 151 O SER 24 3.440 95.175 47.062 1.00 37.64 O ATOM 152 CB SER 24 4.462 95.790 49.459 1.00 38.08 C ATOM 153 OG SER 24 5.423 95.311 48.502 1.00 40.32 O ATOM 154 N SER 25 1.823 93.795 47.803 1.00 33.22 N ATOM 155 CA SER 25 1.406 93.401 46.481 1.00 30.65 C ATOM 156 C SER 25 0.252 92.451 46.705 1.00 29.93 C ATOM 157 O SER 25 -0.296 92.405 47.803 1.00 29.94 O ATOM 158 CB SER 25 2.553 92.696 45.784 1.00 30.65 C ATOM 159 OG SER 25 2.162 92.360 44.465 1.00 32.21 O ATOM 160 N HIS 26 -0.152 91.690 45.698 1.00 29.70 N ATOM 161 CA HIS 26 -1.284 90.785 45.906 1.00 29.64 C ATOM 162 C HIS 26 -1.221 89.582 44.980 1.00 29.93 C ATOM 163 O HIS 26 -0.334 89.491 44.115 1.00 32.07 O ATOM 164 CB HIS 26 -2.599 91.530 45.664 1.00 29.88 C ATOM 165 CG HIS 26 -2.703 92.838 46.396 1.00 32.04 C ATOM 166 N ILE 27 -2.126 88.634 45.187 1.00 27.91 N ATOM 167 CA ILE 27 -2.199 87.466 44.333 1.00 25.73 C ATOM 168 C ILE 27 -3.584 86.908 44.494 1.00 24.93 C ATOM 169 O ILE 27 -4.358 87.398 45.319 1.00 24.21 O ATOM 170 CB ILE 27 -1.223 86.402 44.711 1.00 26.86 C ATOM 171 CG1 ILE 27 -1.458 85.982 46.145 1.00 27.65 C ATOM 172 CG2 ILE 27 0.204 86.897 44.525 1.00 28.06 C ATOM 173 CD1 ILE 27 -0.587 84.832 46.532 1.00 30.42 C ATOM 174 N SER 28 -3.917 85.911 43.690 1.00 24.30 N ATOM 175 CA SER 28 -5.239 85.317 43.763 1.00 24.25 C ATOM 176 C SER 28 -5.134 84.138 44.684 1.00 23.41 C ATOM 177 O SER 28 -4.048 83.590 44.859 1.00 23.47 O ATOM 178 CB SER 28 -5.678 84.809 42.392 1.00 24.72 C ATOM 179 OG SER 28 -5.407 85.757 41.379 1.00 29.18 O ATOM 180 N ALA 29 -6.253 83.713 45.240 1.00 21.90 N ATOM 181 CA ALA 29 -6.257 82.569 46.112 1.00 20.23 C ATOM 182 C ALA 29 -7.590 81.976 45.828 1.00 20.63 C ATOM 183 O ALA 29 -8.591 82.700 45.733 1.00 21.86 O ATOM 184 CB ALA 29 -6.185 83.003 47.560 1.00 18.99 C ATOM 185 N PHE 30 -7.603 80.687 45.576 1.00 20.13 N ATOM 186 CA PHE 30 -8.847 79.991 45.324 1.00 21.57 C ATOM 187 C PHE 30 -8.738 79.027 46.481 1.00 22.44 C ATOM 188 O PHE 30 -7.874 78.149 46.469 1.00 25.76 O ATOM 189 CB PHE 30 -8.787 79.317 43.937 1.00 20.52 C ATOM 190 CG PHE 30 -8.640 80.309 42.805 1.00 19.49 C ATOM 191 CD1 PHE 30 -7.406 80.834 42.488 1.00 16.98 C ATOM 192 CD2 PHE 30 -9.761 80.803 42.144 1.00 18.80 C ATOM 193 CE1 PHE 30 -7.289 81.840 41.549 1.00 18.44 C ATOM 194 CE2 PHE 30 -9.657 81.800 41.211 1.00 18.10 C ATOM 195 CZ PHE 30 -8.423 82.326 40.911 1.00 19.88 C ATOM 196 N LEU 31 -9.510 79.249 47.538 1.00 21.13 N ATOM 197 CA LEU 31 -9.380 78.413 48.721 1.00 19.06 C ATOM 198 C LEU 31 -10.599 77.581 48.978 1.00 19.71 C ATOM 199 O LEU 31 -11.713 78.055 48.882 1.00 19.58 O ATOM 200 CB LEU 31 -9.107 79.286 49.931 1.00 16.07 C ATOM 201 CG LEU 31 -8.051 80.356 49.803 1.00 13.97 C ATOM 202 CD1 LEU 31 -8.361 81.418 50.789 1.00 15.53 C ATOM 203 CD2 LEU 31 -6.694 79.799 50.006 1.00 14.55 C ATOM 204 N GLY 32 -10.375 76.337 49.347 1.00 20.17 N ATOM 205 CA GLY 32 -11.483 75.454 49.616 1.00 21.07 C ATOM 206 C GLY 32 -12.187 74.843 48.418 1.00 22.32 C ATOM 207 O GLY 32 -13.395 74.565 48.502 1.00 23.36 O ATOM 208 N ILE 33 -11.470 74.586 47.326 1.00 20.06 N ATOM 209 CA ILE 33 -12.113 73.999 46.151 1.00 19.99 C ATOM 210 C ILE 33 -12.216 72.529 46.472 1.00 19.74 C ATOM 211 O ILE 33 -11.240 71.924 46.852 1.00 21.59 O ATOM 212 CB ILE 33 -11.242 74.173 44.901 1.00 19.01 C ATOM 213 CG1 ILE 33 -11.071 75.655 44.590 1.00 19.56 C ATOM 214 CG2 ILE 33 -11.860 73.468 43.739 1.00 16.55 C ATOM 215 CD1 ILE 33 -9.745 75.982 43.922 1.00 20.70 C ATOM 216 N PRO 34 -13.381 71.926 46.325 1.00 19.81 N ATOM 217 CA PRO 34 -13.462 70.499 46.646 1.00 21.21 C ATOM 218 C PRO 34 -12.961 69.563 45.539 1.00 23.20 C ATOM 219 O PRO 34 -13.092 69.865 44.345 1.00 27.08 O ATOM 220 CB PRO 34 -14.943 70.310 46.922 1.00 20.13 C ATOM 221 CG PRO 34 -15.576 71.255 45.956 1.00 21.28 C ATOM 222 CD PRO 34 -14.697 72.480 45.987 1.00 21.01 C ATOM 223 N PHE 35 -12.383 68.428 45.915 1.00 22.65 N ATOM 224 CA PHE 35 -11.895 67.490 44.920 1.00 21.82 C ATOM 225 C PHE 35 -12.496 66.115 45.074 1.00 22.55 C ATOM 226 O PHE 35 -12.158 65.207 44.297 1.00 25.58 O ATOM 227 CB PHE 35 -10.375 67.391 44.961 1.00 21.78 C ATOM 228 CG PHE 35 -9.828 66.866 46.267 1.00 22.77 C ATOM 229 CD1 PHE 35 -10.040 65.558 46.655 1.00 23.61 C ATOM 230 CD2 PHE 35 -9.073 67.677 47.089 1.00 23.08 C ATOM 231 CE1 PHE 35 -9.513 65.078 47.821 1.00 21.65 C ATOM 232 CE2 PHE 35 -8.552 67.197 48.245 1.00 21.45 C ATOM 233 CZ PHE 35 -8.770 65.901 48.609 1.00 20.26 C ATOM 234 N ALA 36 -13.379 65.951 46.060 1.00 20.32 N ATOM 235 CA ALA 36 -14.029 64.667 46.314 1.00 19.00 C ATOM 236 C ALA 36 -15.394 64.837 46.946 1.00 19.85 C ATOM 237 O ALA 36 -15.733 65.894 47.467 1.00 19.85 O ATOM 238 CB ALA 36 -13.179 63.853 47.216 1.00 17.19 C ATOM 239 N GLU 37 -16.203 63.797 46.904 1.00 21.79 N ATOM 240 CA GLU 37 -17.505 63.887 47.548 1.00 23.45 C ATOM 241 C GLU 37 -17.194 63.855 49.038 1.00 23.21 C ATOM 242 O GLU 37 -16.249 63.186 49.441 1.00 22.61 O ATOM 243 CB GLU 37 -18.370 62.689 47.170 1.00 24.28 C ATOM 244 CG GLU 37 -18.886 62.772 45.747 1.00 28.92 C ATOM 245 CD GLU 37 -19.719 64.018 45.523 1.00 30.58 C ATOM 246 OE1 GLU 37 -20.816 64.107 46.120 1.00 32.06 O ATOM 247 OE2 GLU 37 -19.267 64.924 44.779 1.00 30.81 O ATOM 248 N PRO 38 -17.912 64.639 49.852 1.00 21.97 N ATOM 249 CA PRO 38 -17.706 64.689 51.296 1.00 21.21 C ATOM 250 C PRO 38 -17.833 63.280 51.765 1.00 20.79 C ATOM 251 O PRO 38 -18.884 62.681 51.596 1.00 22.53 O ATOM 252 CB PRO 38 -18.894 65.490 51.770 1.00 21.53 C ATOM 253 CG PRO 38 -19.077 66.470 50.674 1.00 23.58 C ATOM 254 CD PRO 38 -18.937 65.606 49.439 1.00 23.90 C ATOM 255 N PRO 39 -16.782 62.737 52.383 1.00 20.05 N ATOM 256 CA PRO 39 -16.677 61.377 52.910 1.00 20.23 C ATOM 257 C PRO 39 -17.473 61.092 54.186 1.00 21.16 C ATOM 258 O PRO 39 -17.061 60.287 55.025 1.00 20.85 O ATOM 259 CB PRO 39 -15.182 61.249 53.150 1.00 19.97 C ATOM 260 CG PRO 39 -14.842 62.581 53.626 1.00 19.16 C ATOM 261 CD PRO 39 -15.571 63.499 52.695 1.00 18.47 C ATOM 262 N VAL 40 -18.648 61.688 54.284 1.00 21.51 N ATOM 263 CA VAL 40 -19.490 61.537 55.445 1.00 23.07 C ATOM 264 C VAL 40 -20.397 60.312 55.391 1.00 25.31 C ATOM 265 O VAL 40 -20.351 59.520 54.445 1.00 27.68 O ATOM 266 CB VAL 40 -20.338 62.761 55.586 1.00 22.50 C ATOM 267 CG1 VAL 40 -19.458 63.959 55.823 1.00 20.64 C ATOM 268 CG2 VAL 40 -21.135 62.957 54.310 1.00 22.14 C ATOM 269 N GLY 41 -21.178 60.120 56.447 1.00 25.93 N ATOM 270 CA GLY 41 -22.112 59.006 56.524 1.00 26.55 C ATOM 271 C GLY 41 -21.553 57.656 56.155 1.00 27.31 C ATOM 272 O GLY 41 -20.445 57.315 56.536 1.00 28.77 O ATOM 273 N ASN 42 -22.292 56.905 55.347 1.00 28.52 N ATOM 274 CA ASN 42 -21.865 55.572 54.941 1.00 27.86 C ATOM 275 C ASN 42 -20.591 55.570 54.113 1.00 27.95 C ATOM 276 O ASN 42 -20.047 54.503 53.801 1.00 27.65 O ATOM 277 CB ASN 42 -22.983 54.871 54.177 1.00 28.87 C ATOM 278 N MET 43 -20.110 56.750 53.751 1.00 27.47 N ATOM 279 CA MET 43 -18.888 56.813 52.969 1.00 27.24 C ATOM 280 C MET 43 -17.643 56.851 53.852 1.00 26.55 C ATOM 281 O MET 43 -16.526 56.779 53.349 1.00 26.67 O ATOM 282 CB MET 43 -18.905 58.008 51.998 1.00 30.68 C ATOM 283 CG MET 43 -19.796 57.828 50.725 1.00 33.35 C ATOM 284 SD MET 43 -19.187 58.877 49.340 1.00 36.83 S ATOM 285 CE MET 43 -20.244 60.302 49.469 1.00 35.04 C ATOM 286 N ARG 44 -17.822 56.936 55.166 1.00 24.97 N ATOM 287 CA ARG 44 -16.682 56.974 56.075 1.00 23.62 C ATOM 288 C ARG 44 -15.867 55.713 55.902 1.00 22.49 C ATOM 289 O ARG 44 -16.410 54.625 55.856 1.00 22.21 O ATOM 290 CB ARG 44 -17.147 57.095 57.536 1.00 25.41 C ATOM 291 CG ARG 44 -16.005 57.018 58.554 1.00 24.69 C ATOM 292 CD ARG 44 -16.483 56.919 59.969 1.00 24.31 C ATOM 293 NE ARG 44 -17.096 58.162 60.417 1.00 24.01 N ATOM 294 CZ ARG 44 -17.717 58.291 61.586 1.00 24.50 C ATOM 295 NH1 ARG 44 -17.800 57.258 62.418 1.00 23.35 N ATOM 296 NH2 ARG 44 -18.290 59.437 61.912 1.00 23.59 N ATOM 297 N PHE 45 -14.560 55.885 55.806 1.00 22.66 N ATOM 298 CA PHE 45 -13.608 54.807 55.621 1.00 22.65 C ATOM 299 C PHE 45 -13.535 54.417 54.149 1.00 23.34 C ATOM 300 O PHE 45 -12.600 53.740 53.729 1.00 24.15 O ATOM 301 CB PHE 45 -13.994 53.582 56.425 1.00 23.23 C ATOM 302 CG PHE 45 -14.198 53.843 57.878 1.00 24.66 C ATOM 303 CD1 PHE 45 -13.287 54.583 58.603 1.00 26.10 C ATOM 304 CD2 PHE 45 -15.289 53.302 58.542 1.00 24.86 C ATOM 305 CE1 PHE 45 -13.458 54.778 59.975 1.00 24.96 C ATOM 306 CE2 PHE 45 -15.455 53.493 59.900 1.00 24.79 C ATOM 307 CZ PHE 45 -14.537 54.232 60.612 1.00 25.28 C ATOM 308 N ARG 46 -14.524 54.824 53.361 1.00 24.71 N ATOM 309 CA ARG 46 -14.546 54.487 51.934 1.00 26.35 C ATOM 310 C ARG 46 -13.552 55.245 51.083 1.00 24.82 C ATOM 311 O ARG 46 -13.102 56.324 51.444 1.00 26.05 O ATOM 312 CB ARG 46 -15.955 54.654 51.341 1.00 27.18 C ATOM 313 CG ARG 46 -16.831 53.448 51.612 1.00 28.80 C ATOM 314 CD ARG 46 -18.030 53.376 50.684 1.00 31.97 C ATOM 315 NE ARG 46 -18.872 52.202 50.987 1.00 35.01 N ATOM 316 N ARG 47 -13.242 54.710 49.912 1.00 24.18 N ATOM 317 CA ARG 47 -12.312 55.388 49.052 1.00 22.10 C ATOM 318 C ARG 47 -12.941 56.677 48.619 1.00 21.12 C ATOM 319 O ARG 47 -14.168 56.825 48.619 1.00 20.61 O ATOM 320 CB ARG 47 -11.998 54.533 47.867 1.00 24.53 C ATOM 321 CG ARG 47 -11.508 53.177 48.282 1.00 31.09 C ATOM 322 CD ARG 47 -10.699 52.515 47.164 1.00 34.46 C ATOM 323 NE ARG 47 -10.338 51.146 47.502 1.00 38.88 N ATOM 324 CZ ARG 47 -9.328 50.489 46.937 1.00 42.95 C ATOM 325 NH1 ARG 47 -8.580 51.081 45.992 1.00 44.70 N ATOM 326 NH2 ARG 47 -9.059 49.235 47.321 1.00 43.90 N ATOM 327 N PRO 48 -12.111 57.655 48.285 1.00 20.42 N ATOM 328 CA PRO 48 -12.674 58.922 47.859 1.00 21.85 C ATOM 329 C PRO 48 -13.394 58.792 46.518 1.00 24.92 C ATOM 330 O PRO 48 -13.034 57.976 45.646 1.00 26.48 O ATOM 331 CB PRO 48 -11.470 59.841 47.837 1.00 20.41 C ATOM 332 CG PRO 48 -10.352 58.940 47.580 1.00 20.77 C ATOM 333 CD PRO 48 -10.650 57.701 48.339 1.00 20.06 C ATOM 334 N GLU 49 -14.429 59.609 46.387 1.00 26.78 N ATOM 335 CA GLU 49 -15.332 59.672 45.257 1.00 27.23 C ATOM 336 C GLU 49 -15.107 61.014 44.610 1.00 26.64 C ATOM 337 O GLU 49 -14.987 62.023 45.300 1.00 26.50 O ATOM 338 CB GLU 49 -16.715 59.636 45.833 1.00 31.33 C ATOM 339 CG GLU 49 -17.826 59.860 44.891 1.00 38.28 C ATOM 340 CD GLU 49 -18.869 58.791 45.095 1.00 42.70 C ATOM 341 OE1 GLU 49 -18.411 57.626 45.329 1.00 43.89 O ATOM 342 OE2 GLU 49 -20.106 59.098 45.020 1.00 44.16 O ATOM 343 N PRO 50 -15.068 61.065 43.287 1.00 26.29 N ATOM 344 CA PRO 50 -14.840 62.324 42.579 1.00 26.08 C ATOM 345 C PRO 50 -15.941 63.314 42.845 1.00 25.90 C ATOM 346 O PRO 50 -17.078 62.939 43.021 1.00 27.48 O ATOM 347 CB PRO 50 -14.811 61.893 41.114 1.00 27.23 C ATOM 348 CG PRO 50 -14.452 60.408 41.175 1.00 28.45 C ATOM 349 CD PRO 50 -15.273 59.957 42.344 1.00 27.83 C ATOM 350 N LYS 51 -15.607 64.586 42.877 1.00 26.30 N ATOM 351 CA LYS 51 -16.601 65.594 43.143 1.00 27.88 C ATOM 352 C LYS 51 -17.541 65.722 41.963 1.00 29.49 C ATOM 353 O LYS 51 -17.085 66.061 40.869 1.00 31.13 O ATOM 354 CB LYS 51 -15.875 66.918 43.364 1.00 27.38 C ATOM 355 CG LYS 51 -16.759 68.112 43.644 1.00 27.70 C ATOM 356 CD LYS 51 -17.675 67.911 44.840 1.00 26.30 C ATOM 357 CE LYS 51 -18.429 69.205 45.104 1.00 26.85 C ATOM 358 NZ LYS 51 -19.591 68.980 46.002 1.00 30.22 N ATOM 359 N LYS 52 -18.819 65.381 42.134 1.00 30.54 N ATOM 360 CA LYS 52 -19.789 65.551 41.042 1.00 31.56 C ATOM 361 C LYS 52 -19.605 67.022 40.693 1.00 31.48 C ATOM 362 O LYS 52 -19.508 67.850 41.589 1.00 30.69 O ATOM 363 CB LYS 52 -21.247 65.398 41.514 1.00 33.45 C ATOM 364 CG LYS 52 -21.601 64.227 42.445 1.00 36.93 C ATOM 365 CD LYS 52 -21.290 62.832 41.872 1.00 39.95 C ATOM 366 CE LYS 52 -19.775 62.553 41.834 1.00 42.32 C ATOM 367 NZ LYS 52 -19.405 61.074 41.820 1.00 44.86 N ATOM 368 N PRO 53 -19.533 67.367 39.397 1.00 31.55 N ATOM 369 CA PRO 53 -19.358 68.783 39.078 1.00 31.13 C ATOM 370 C PRO 53 -20.531 69.535 39.650 1.00 32.24 C ATOM 371 O PRO 53 -21.512 68.921 40.110 1.00 31.74 O ATOM 372 CB PRO 53 -19.399 68.791 37.561 1.00 30.13 C ATOM 373 CG PRO 53 -18.882 67.447 37.205 1.00 30.13 C ATOM 374 CD PRO 53 -19.640 66.576 38.160 1.00 31.02 C ATOM 375 N TRP 54 -20.449 70.858 39.575 1.00 33.08 N ATOM 376 CA TRP 54 -21.493 71.733 40.097 1.00 33.76 C ATOM 377 C TRP 54 -21.794 72.817 39.048 1.00 35.55 C ATOM 378 O TRP 54 -21.181 72.842 37.970 1.00 37.28 O ATOM 379 CB TRP 54 -21.005 72.384 41.422 1.00 30.08 C ATOM 380 CG TRP 54 -19.705 73.184 41.347 1.00 24.65 C ATOM 381 CD1 TRP 54 -19.573 74.508 41.025 1.00 24.76 C ATOM 382 CD2 TRP 54 -18.370 72.700 41.581 1.00 23.00 C ATOM 383 NE1 TRP 54 -18.231 74.877 41.026 1.00 22.47 N ATOM 384 CE2 TRP 54 -17.482 73.782 41.367 1.00 22.14 C ATOM 385 CE3 TRP 54 -17.840 71.460 41.941 1.00 22.64 C ATOM 386 CZ2 TRP 54 -16.109 73.652 41.504 1.00 20.68 C ATOM 387 CZ3 TRP 54 -16.464 71.337 42.072 1.00 21.42 C ATOM 388 CH2 TRP 54 -15.620 72.427 41.853 1.00 19.93 C ATOM 389 N SER 55 -22.775 73.673 39.310 1.00 37.34 N ATOM 390 CA SER 55 -23.037 74.754 38.377 1.00 38.81 C ATOM 391 C SER 55 -23.126 76.027 39.218 1.00 38.67 C ATOM 392 O SER 55 -23.627 76.011 40.366 1.00 38.25 O ATOM 393 CB SER 55 -24.323 74.532 37.600 1.00 40.24 C ATOM 394 OG SER 55 -25.441 74.634 38.478 1.00 45.64 O ATOM 395 N GLY 56 -22.605 77.119 38.664 1.00 38.13 N ATOM 396 CA GLY 56 -22.631 78.371 39.386 1.00 35.84 C ATOM 397 C GLY 56 -21.220 78.520 39.842 1.00 33.89 C ATOM 398 O GLY 56 -20.446 77.580 39.727 1.00 34.56 O ATOM 399 N VAL 57 -20.845 79.703 40.288 1.00 31.99 N ATOM 400 CA VAL 57 -19.499 79.873 40.718 1.00 30.98 C ATOM 401 C VAL 57 -19.356 79.252 42.093 1.00 30.50 C ATOM 402 O VAL 57 -20.253 79.395 42.915 1.00 31.89 O ATOM 403 CB VAL 57 -19.147 81.356 40.793 1.00 31.05 C ATOM 404 CG1 VAL 57 -17.657 81.517 40.738 1.00 32.66 C ATOM 405 CG2 VAL 57 -19.753 82.095 39.632 1.00 30.56 C ATOM 406 N TRP 58 -18.322 78.444 42.301 1.00 29.57 N ATOM 407 CA TRP 58 -18.069 77.885 43.622 1.00 27.70 C ATOM 408 C TRP 58 -17.273 79.028 44.249 1.00 29.29 C ATOM 409 O TRP 58 -16.382 79.598 43.602 1.00 27.99 O ATOM 410 CB TRP 58 -17.182 76.650 43.569 1.00 26.73 C ATOM 411 CG TRP 58 -16.935 76.108 44.936 1.00 26.09 C ATOM 412 CD1 TRP 58 -16.002 76.546 45.841 1.00 24.35 C ATOM 413 CD2 TRP 58 -17.691 75.094 45.601 1.00 24.47 C ATOM 414 NE1 TRP 58 -16.145 75.872 47.029 1.00 24.25 N ATOM 415 CE2 TRP 58 -17.176 74.976 46.909 1.00 25.11 C ATOM 416 CE3 TRP 58 -18.759 74.279 45.218 1.00 24.96 C ATOM 417 CZ2 TRP 58 -17.693 74.072 47.842 1.00 24.55 C ATOM 418 CZ3 TRP 58 -19.278 73.371 46.146 1.00 26.38 C ATOM 419 CH2 TRP 58 -18.738 73.280 47.445 1.00 27.31 C ATOM 420 N ASN 59 -17.593 79.357 45.501 1.00 30.86 N ATOM 421 CA ASN 59 -16.962 80.461 46.215 1.00 31.49 C ATOM 422 C ASN 59 -15.742 80.024 46.989 1.00 31.04 C ATOM 423 O ASN 59 -15.841 79.582 48.129 1.00 33.91 O ATOM 424 CB ASN 59 -17.954 81.080 47.183 1.00 33.90 C ATOM 425 CG ASN 59 -17.419 82.360 47.788 1.00 38.27 C ATOM 426 OD1 ASN 59 -16.185 82.601 47.784 1.00 41.69 O ATOM 427 ND2 ASN 59 -18.317 83.220 48.276 1.00 40.59 N ATOM 428 N ALA 60 -14.575 80.199 46.412 1.00 29.09 N ATOM 429 CA ALA 60 -13.380 79.765 47.079 1.00 26.68 C ATOM 430 C ALA 60 -12.715 80.937 47.729 1.00 26.52 C ATOM 431 O ALA 60 -11.528 81.155 47.508 1.00 25.56 O ATOM 432 CB ALA 60 -12.453 79.153 46.092 1.00 25.30 C ATOM 433 N SER 61 -13.451 81.711 48.521 1.00 26.74 N ATOM 434 CA SER 61 -12.822 82.863 49.160 1.00 27.90 C ATOM 435 C SER 61 -12.309 82.650 50.591 1.00 28.24 C ATOM 436 O SER 61 -11.678 83.546 51.176 1.00 29.00 O ATOM 437 CB SER 61 -13.752 84.077 49.091 1.00 28.26 C ATOM 438 OG SER 61 -15.059 83.768 49.554 1.00 28.90 O ATOM 439 N THR 62 -12.559 81.473 51.161 1.00 28.53 N ATOM 440 CA THR 62 -12.117 81.186 52.526 1.00 28.66 C ATOM 441 C THR 62 -11.771 79.722 52.750 1.00 26.72 C ATOM 442 O THR 62 -12.487 78.833 52.265 1.00 27.14 O ATOM 443 CB THR 62 -13.225 81.490 53.516 1.00 29.63 C ATOM 444 OG1 THR 62 -14.427 80.857 53.053 1.00 29.06 O ATOM 445 CG2 THR 62 -13.440 82.991 53.651 1.00 29.65 C ATOM 446 N TYR 63 -10.793 79.498 53.629 1.00 24.58 N ATOM 447 CA TYR 63 -10.309 78.173 53.979 1.00 22.01 C ATOM 448 C TYR 63 -11.409 77.224 54.376 1.00 20.75 C ATOM 449 O TYR 63 -12.369 77.606 54.995 1.00 20.15 O ATOM 450 CB TYR 63 -9.347 78.264 55.136 1.00 20.67 C ATOM 451 CG TYR 63 -7.957 78.666 54.775 1.00 22.08 C ATOM 452 CD1 TYR 63 -7.269 78.036 53.755 1.00 23.93 C ATOM 453 CD2 TYR 63 -7.279 79.599 55.534 1.00 22.79 C ATOM 454 CE1 TYR 63 -5.923 78.321 53.521 1.00 23.97 C ATOM 455 CE2 TYR 63 -5.951 79.889 55.310 1.00 21.48 C ATOM 456 CZ TYR 63 -5.278 79.241 54.320 1.00 23.31 C ATOM 457 OH TYR 63 -3.926 79.432 54.213 1.00 25.75 O ATOM 458 N PRO 64 -11.232 75.951 54.073 1.00 20.67 N ATOM 459 CA PRO 64 -12.185 74.890 54.376 1.00 20.81 C ATOM 460 C PRO 64 -12.064 74.288 55.781 1.00 21.45 C ATOM 461 O PRO 64 -11.134 74.589 56.521 1.00 22.44 O ATOM 462 CB PRO 64 -11.844 73.855 53.315 1.00 21.14 C ATOM 463 CG PRO 64 -10.371 74.013 53.149 1.00 18.71 C ATOM 464 CD PRO 64 -10.152 75.477 53.188 1.00 19.27 C ATOM 465 N ASN 65 -12.986 73.405 56.141 1.00 19.92 N ATOM 466 CA ASN 65 -12.906 72.770 57.429 1.00 21.11 C ATOM 467 C ASN 65 -11.660 71.920 57.394 1.00 21.64 C ATOM 468 O ASN 65 -11.081 71.695 56.341 1.00 23.04 O ATOM 469 CB ASN 65 -14.069 71.829 57.662 1.00 23.04 C ATOM 470 CG ASN 65 -15.394 72.504 57.569 1.00 26.16 C ATOM 471 OD1 ASN 65 -15.603 73.608 58.087 1.00 27.61 O ATOM 472 ND2 ASN 65 -16.323 71.842 56.900 1.00 28.24 N ATOM 473 N ASN 66 -11.276 71.402 58.546 1.00 22.50 N ATOM 474 CA ASN 66 -10.117 70.550 58.657 1.00 20.31 C ATOM 475 C ASN 66 -10.661 69.203 58.984 1.00 19.92 C ATOM 476 O ASN 66 -11.782 69.088 59.468 1.00 19.70 O ATOM 477 CB ASN 66 -9.228 71.043 59.764 1.00 21.69 C ATOM 478 CG ASN 66 -8.568 72.324 59.412 1.00 23.88 C ATOM 479 OD1 ASN 66 -7.621 72.742 60.061 1.00 24.80 O ATOM 480 ND2 ASN 66 -9.014 72.938 58.330 1.00 27.19 N ATOM 481 N CYS 67 -9.903 68.174 58.663 1.00 18.93 N ATOM 482 CA CYS 67 -10.357 66.830 58.893 1.00 20.18 C ATOM 483 C CYS 67 -10.363 66.544 60.373 1.00 21.32 C ATOM 484 O CYS 67 -9.562 67.115 61.123 1.00 21.14 O ATOM 485 CB CYS 67 -9.468 65.846 58.125 1.00 22.13 C ATOM 486 SG CYS 67 -9.510 66.095 56.305 1.00 20.69 S ATOM 487 N GLN 68 -11.295 65.700 60.804 1.00 21.34 N ATOM 488 CA GLN 68 -11.402 65.363 62.200 1.00 21.11 C ATOM 489 C GLN 68 -10.069 64.842 62.605 1.00 21.97 C ATOM 490 O GLN 68 -9.451 64.109 61.844 1.00 23.28 O ATOM 491 CB GLN 68 -12.413 64.274 62.385 1.00 20.74 C ATOM 492 CG GLN 68 -13.757 64.693 61.981 1.00 24.66 C ATOM 493 CD GLN 68 -14.526 65.366 63.079 1.00 28.19 C ATOM 494 OE1 GLN 68 -15.756 65.479 63.000 1.00 32.49 O ATOM 495 NE2 GLN 68 -13.840 65.780 64.133 1.00 29.12 N ATOM 496 N GLN 69 -9.632 65.169 63.815 1.00 22.83 N ATOM 497 CA GLN 69 -8.329 64.715 64.265 1.00 21.99 C ATOM 498 C GLN 69 -8.076 65.042 65.707 1.00 22.43 C ATOM 499 O GLN 69 -8.696 65.937 66.287 1.00 22.35 O ATOM 500 CB GLN 69 -7.252 65.424 63.464 1.00 21.52 C ATOM 501 CG GLN 69 -7.296 66.936 63.594 1.00 18.11 C ATOM 502 CD GLN 69 -6.388 67.604 62.610 1.00 19.88 C ATOM 503 OE1 GLN 69 -5.190 67.741 62.847 1.00 18.53 O ATOM 504 NE2 GLN 69 -6.944 68.016 61.484 1.00 20.44 N ATOM 505 N TYR 70 -7.046 64.401 66.221 1.00 21.44 N ATOM 506 CA TYR 70 -6.619 64.586 67.567 1.00 21.19 C ATOM 507 C TYR 70 -6.006 65.980 67.709 1.00 21.28 C ATOM 508 O TYR 70 -5.053 66.319 67.022 1.00 21.55 O ATOM 509 CB TYR 70 -5.611 63.503 67.873 1.00 22.75 C ATOM 510 CG TYR 70 -4.993 63.651 69.212 1.00 25.99 C ATOM 511 CD1 TYR 70 -5.707 63.350 70.362 1.00 27.11 C ATOM 512 CD2 TYR 70 -3.734 64.201 69.339 1.00 25.93 C ATOM 513 CE1 TYR 70 -5.181 63.617 71.605 1.00 28.30 C ATOM 514 CE2 TYR 70 -3.204 64.468 70.566 1.00 28.96 C ATOM 515 CZ TYR 70 -3.931 64.187 71.695 1.00 29.03 C ATOM 516 OH TYR 70 -3.414 64.562 72.918 1.00 34.47 O ATOM 517 N VAL 71 -6.616 66.824 68.526 1.00 21.68 N ATOM 518 CA VAL 71 -6.108 68.177 68.749 1.00 23.24 C ATOM 519 C VAL 71 -5.161 68.044 69.929 1.00 25.65 C ATOM 520 O VAL 71 -5.448 67.271 70.844 1.00 29.38 O ATOM 521 CB VAL 71 -7.241 69.115 69.127 1.00 20.99 C ATOM 522 CG1 VAL 71 -6.722 70.508 69.406 1.00 20.50 C ATOM 523 CG2 VAL 71 -8.245 69.137 68.020 1.00 21.48 C ATOM 524 N ASP 72 -4.036 68.756 69.907 1.00 26.23 N ATOM 525 CA ASP 72 -3.026 68.685 70.967 1.00 26.42 C ATOM 526 C ASP 72 -3.304 69.714 72.036 1.00 28.60 C ATOM 527 O ASP 72 -3.312 70.923 71.765 1.00 28.73 O ATOM 528 CB ASP 72 -1.651 68.974 70.380 1.00 25.81 C ATOM 529 CG ASP 72 -0.542 68.930 71.393 1.00 23.83 C ATOM 530 OD1 ASP 72 -0.619 68.156 72.350 1.00 25.76 O ATOM 531 OD2 ASP 72 0.454 69.638 71.200 1.00 24.42 O ATOM 532 N GLU 73 -3.464 69.245 73.272 1.00 29.84 N ATOM 533 CA GLU 73 -3.718 70.146 74.374 1.00 29.15 C ATOM 534 C GLU 73 -2.621 70.031 75.388 1.00 28.69 C ATOM 535 O GLU 73 -2.755 70.518 76.483 1.00 30.99 O ATOM 536 CB GLU 73 -5.048 69.827 75.026 1.00 30.84 C ATOM 537 CG GLU 73 -6.140 69.586 74.037 1.00 34.31 C ATOM 538 CD GLU 73 -7.401 70.309 74.381 1.00 36.97 C ATOM 539 OE1 GLU 73 -7.372 71.572 74.385 1.00 40.97 O ATOM 540 OE2 GLU 73 -8.423 69.622 74.628 1.00 38.79 O ATOM 541 N GLN 74 -1.526 69.382 75.039 1.00 28.10 N ATOM 542 CA GLN 74 -0.426 69.255 75.973 1.00 27.96 C ATOM 543 C GLN 74 0.035 70.597 76.583 1.00 27.81 C ATOM 544 O GLN 74 0.336 70.665 77.790 1.00 28.56 O ATOM 545 CB GLN 74 0.746 68.570 75.298 1.00 29.80 C ATOM 546 CG GLN 74 1.214 67.317 76.007 1.00 34.79 C ATOM 547 CD GLN 74 1.835 67.620 77.364 1.00 38.87 C ATOM 548 OE1 GLN 74 3.058 67.495 77.542 1.00 42.22 O ATOM 549 NE2 GLN 74 1.006 68.040 78.324 1.00 40.99 N ATOM 550 N PHE 75 0.054 71.660 75.778 1.00 25.45 N ATOM 551 CA PHE 75 0.507 72.970 76.224 1.00 22.07 C ATOM 552 C PHE 75 -0.484 74.024 75.786 1.00 23.38 C ATOM 553 O PHE 75 -0.134 74.978 75.091 1.00 22.42 O ATOM 554 CB PHE 75 1.872 73.281 75.638 1.00 20.23 C ATOM 555 CG PHE 75 2.901 72.267 75.968 1.00 23.31 C ATOM 556 CD1 PHE 75 3.308 72.071 77.273 1.00 24.47 C ATOM 557 CD2 PHE 75 3.449 71.474 74.987 1.00 24.40 C ATOM 558 CE1 PHE 75 4.245 71.087 77.591 1.00 24.93 C ATOM 559 CE2 PHE 75 4.385 70.494 75.297 1.00 24.46 C ATOM 560 CZ PHE 75 4.780 70.300 76.598 1.00 24.81 C ATOM 561 N PRO 76 -1.711 73.939 76.313 1.00 24.70 N ATOM 562 CA PRO 76 -2.789 74.869 75.988 1.00 24.12 C ATOM 563 C PRO 76 -2.279 76.289 75.951 1.00 25.48 C ATOM 564 O PRO 76 -1.595 76.730 76.877 1.00 26.47 O ATOM 565 CB PRO 76 -3.759 74.668 77.141 1.00 23.66 C ATOM 566 CG PRO 76 -3.544 73.248 77.535 1.00 22.77 C ATOM 567 CD PRO 76 -2.044 73.168 77.527 1.00 22.99 C ATOM 568 N GLY 77 -2.538 76.973 74.845 1.00 25.61 N ATOM 569 CA GLY 77 -2.103 78.351 74.716 1.00 25.35 C ATOM 570 C GLY 77 -0.665 78.505 74.256 1.00 25.71 C ATOM 571 O GLY 77 -0.271 79.566 73.753 1.00 27.32 O ATOM 572 N PHE 78 0.155 77.484 74.445 1.00 23.16 N ATOM 573 CA PHE 78 1.512 77.627 73.996 1.00 20.24 C ATOM 574 C PHE 78 1.479 77.675 72.470 1.00 21.48 C ATOM 575 O PHE 78 1.078 76.716 71.825 1.00 22.58 O ATOM 576 CB PHE 78 2.354 76.465 74.471 1.00 16.25 C ATOM 577 CG PHE 78 3.794 76.620 74.150 1.00 14.10 C ATOM 578 CD1 PHE 78 4.417 77.844 74.300 1.00 12.82 C ATOM 579 CD2 PHE 78 4.520 75.567 73.669 1.00 12.26 C ATOM 580 CE1 PHE 78 5.736 78.008 73.969 1.00 12.34 C ATOM 581 CE2 PHE 78 5.833 75.732 73.343 1.00 14.01 C ATOM 582 CZ PHE 78 6.437 76.951 73.491 1.00 11.07 C ATOM 583 N SER 79 1.902 78.784 71.885 1.00 21.39 N ATOM 584 CA SER 79 1.909 78.917 70.440 1.00 21.94 C ATOM 585 C SER 79 2.772 77.859 69.801 1.00 22.10 C ATOM 586 O SER 79 2.367 77.216 68.835 1.00 23.89 O ATOM 587 CB SER 79 2.416 80.285 70.029 1.00 21.85 C ATOM 588 OG SER 79 3.752 80.439 70.441 1.00 24.77 O ATOM 589 N GLY 80 3.933 77.614 70.376 1.00 21.81 N ATOM 590 CA GLY 80 4.817 76.617 69.811 1.00 21.72 C ATOM 591 C GLY 80 4.130 75.319 69.442 1.00 23.06 C ATOM 592 O GLY 80 4.624 74.580 68.605 1.00 24.43 O ATOM 593 N SER 81 2.987 75.022 70.042 1.00 22.77 N ATOM 594 CA SER 81 2.328 73.774 69.740 1.00 23.11 C ATOM 595 C SER 81 0.970 73.969 69.128 1.00 22.89 C ATOM 596 O SER 81 0.496 73.123 68.394 1.00 21.75 O ATOM 597 CB SER 81 2.188 72.941 71.007 1.00 23.45 C ATOM 598 OG SER 81 1.169 73.461 71.828 1.00 22.46 O ATOM 599 N GLU 82 0.319 75.071 69.456 1.00 24.35 N ATOM 600 CA GLU 82 -1.008 75.308 68.928 1.00 26.27 C ATOM 601 C GLU 82 -0.913 75.743 67.485 1.00 25.46 C ATOM 602 O GLU 82 -1.880 75.639 66.729 1.00 26.39 O ATOM 603 CB GLU 82 -1.755 76.358 69.764 1.00 27.84 C ATOM 604 CG GLU 82 -1.672 76.072 71.260 1.00 31.64 C ATOM 605 CD GLU 82 -3.006 75.916 71.946 1.00 33.90 C ATOM 606 OE1 GLU 82 -3.696 76.953 72.064 1.00 36.99 O ATOM 607 OE2 GLU 82 -3.343 74.779 72.415 1.00 35.00 O ATOM 608 N MET 83 0.262 76.187 67.072 1.00 24.18 N ATOM 609 CA MET 83 0.403 76.630 65.706 1.00 22.20 C ATOM 610 C MET 83 0.178 75.476 64.745 1.00 22.08 C ATOM 611 O MET 83 0.067 75.699 63.538 1.00 21.76 O ATOM 612 CB MET 83 1.784 77.212 65.480 1.00 22.57 C ATOM 613 CG MET 83 2.836 76.178 65.383 1.00 22.60 C ATOM 614 SD MET 83 4.229 76.849 64.575 1.00 26.51 S ATOM 615 CE MET 83 4.314 78.492 65.301 1.00 26.27 C ATOM 616 N TRP 84 0.158 74.259 65.288 1.00 20.58 N ATOM 617 CA TRP 84 -0.045 73.041 64.523 1.00 20.25 C ATOM 618 C TRP 84 -1.433 72.477 64.689 1.00 21.46 C ATOM 619 O TRP 84 -1.759 71.459 64.088 1.00 23.09 O ATOM 620 CB TRP 84 0.916 71.956 64.985 1.00 19.94 C ATOM 621 CG TRP 84 2.325 72.348 64.904 1.00 21.54 C ATOM 622 CD1 TRP 84 3.138 72.665 65.943 1.00 21.40 C ATOM 623 CD2 TRP 84 3.101 72.529 63.711 1.00 21.28 C ATOM 624 NE1 TRP 84 4.370 73.046 65.479 1.00 23.08 N ATOM 625 CE2 TRP 84 4.375 72.969 64.108 1.00 22.83 C ATOM 626 CE3 TRP 84 2.839 72.371 62.349 1.00 18.70 C ATOM 627 CZ2 TRP 84 5.389 73.255 63.185 1.00 20.62 C ATOM 628 CZ3 TRP 84 3.837 72.651 61.446 1.00 16.80 C ATOM 629 CH2 TRP 84 5.093 73.087 61.864 1.00 18.55 C ATOM 630 N ASN 85 -2.234 73.074 65.552 1.00 20.53 N ATOM 631 CA ASN 85 -3.568 72.547 65.776 1.00 20.62 C ATOM 632 C ASN 85 -4.498 73.083 64.724 1.00 19.32 C ATOM 633 O ASN 85 -4.320 74.174 64.215 1.00 18.39 O ATOM 634 CB ASN 85 -4.121 72.956 67.157 1.00 23.48 C ATOM 635 CG ASN 85 -3.628 72.076 68.315 1.00 24.52 C ATOM 636 OD1 ASN 85 -3.420 70.865 68.180 1.00 22.84 O ATOM 637 ND2 ASN 85 -3.484 72.696 69.480 1.00 25.55 N ATOM 638 N PRO 86 -5.580 72.363 64.475 1.00 18.17 N ATOM 639 CA PRO 86 -6.548 72.777 63.487 1.00 18.76 C ATOM 640 C PRO 86 -7.038 74.139 63.881 1.00 20.20 C ATOM 641 O PRO 86 -7.439 74.324 65.029 1.00 22.50 O ATOM 642 CB PRO 86 -7.651 71.752 63.683 1.00 17.34 C ATOM 643 CG PRO 86 -6.897 70.554 64.111 1.00 17.88 C ATOM 644 CD PRO 86 -6.019 71.126 65.126 1.00 17.46 C ATOM 645 N ASN 87 -7.010 75.078 62.943 1.00 20.21 N ATOM 646 CA ASN 87 -7.489 76.421 63.192 1.00 19.65 C ATOM 647 C ASN 87 -8.804 76.681 62.504 1.00 19.39 C ATOM 648 O ASN 87 -9.086 77.811 62.162 1.00 18.01 O ATOM 649 CB ASN 87 -6.466 77.471 62.749 1.00 23.03 C ATOM 650 CG ASN 87 -6.053 77.318 61.300 1.00 26.70 C ATOM 651 OD1 ASN 87 -6.531 76.433 60.598 1.00 28.46 O ATOM 652 ND2 ASN 87 -5.122 78.151 60.858 1.00 26.68 N ATOM 653 N ARG 88 -9.596 75.636 62.278 1.00 19.18 N ATOM 654 CA ARG 88 -10.901 75.775 61.637 1.00 19.69 C ATOM 655 C ARG 88 -11.742 74.686 62.230 1.00 20.21 C ATOM 656 O ARG 88 -11.230 73.803 62.891 1.00 20.90 O ATOM 657 CB ARG 88 -10.849 75.514 60.133 1.00 22.52 C ATOM 658 CG ARG 88 -10.053 76.489 59.301 1.00 24.24 C ATOM 659 CD ARG 88 -10.879 77.663 58.911 1.00 27.04 C ATOM 660 NE ARG 88 -10.002 78.821 58.841 1.00 32.46 N ATOM 661 CZ ARG 88 -10.396 80.059 58.552 1.00 35.28 C ATOM 662 NH1 ARG 88 -11.679 80.313 58.285 1.00 36.40 N ATOM 663 NH2 ARG 88 -9.495 81.051 58.570 1.00 36.02 N ATOM 664 N GLU 89 -13.043 74.737 61.990 1.00 21.40 N ATOM 665 CA GLU 89 -13.943 73.732 62.524 1.00 22.27 C ATOM 666 C GLU 89 -13.450 72.461 61.909 1.00 21.03 C ATOM 667 O GLU 89 -12.925 72.488 60.817 1.00 21.93 O ATOM 668 CB GLU 89 -15.376 74.020 62.080 1.00 24.72 C ATOM 669 CG GLU 89 -16.361 72.845 62.289 1.00 27.89 C ATOM 670 N MET 90 -13.468 71.377 62.647 1.00 19.79 N ATOM 671 CA MET 90 -13.029 70.139 62.071 1.00 19.32 C ATOM 672 C MET 90 -14.305 69.559 61.551 1.00 19.57 C ATOM 673 O MET 90 -15.368 69.897 62.046 1.00 19.67 O ATOM 674 CB MET 90 -12.451 69.233 63.136 1.00 19.12 C ATOM 675 CG MET 90 -11.132 69.694 63.680 1.00 21.88 C ATOM 676 SD MET 90 -10.534 68.476 64.817 1.00 22.29 S ATOM 677 CE MET 90 -11.505 68.883 66.171 1.00 22.14 C ATOM 678 N SER 91 -14.227 68.717 60.535 1.00 20.87 N ATOM 679 CA SER 91 -15.427 68.110 59.986 1.00 21.87 C ATOM 680 C SER 91 -15.029 66.944 59.125 1.00 20.72 C ATOM 681 O SER 91 -13.927 66.929 58.591 1.00 19.81 O ATOM 682 CB SER 91 -16.165 69.130 59.128 1.00 22.79 C ATOM 683 OG SER 91 -17.365 68.572 58.605 1.00 28.51 O ATOM 684 N GLU 92 -15.897 65.956 58.998 1.00 21.91 N ATOM 685 CA GLU 92 -15.571 64.819 58.144 1.00 23.49 C ATOM 686 C GLU 92 -15.615 65.295 56.683 1.00 25.48 C ATOM 687 O GLU 92 -15.070 64.633 55.783 1.00 26.91 O ATOM 688 CB GLU 92 -16.525 63.644 58.369 1.00 22.76 C ATOM 689 CG GLU 92 -16.295 62.913 59.664 1.00 22.88 C ATOM 690 CD GLU 92 -16.947 61.564 59.659 1.00 24.66 C ATOM 691 OE1 GLU 92 -18.153 61.473 59.923 1.00 25.87 O ATOM 692 OE2 GLU 92 -16.268 60.573 59.376 1.00 25.56 O ATOM 693 N ASP 93 -16.257 66.451 56.456 1.00 24.44 N ATOM 694 CA ASP 93 -16.340 67.073 55.144 1.00 22.60 C ATOM 695 C ASP 93 -15.138 67.996 55.078 1.00 20.71 C ATOM 696 O ASP 93 -15.258 69.197 55.273 1.00 20.35 O ATOM 697 CB ASP 93 -17.644 67.882 55.021 1.00 26.19 C ATOM 698 CG ASP 93 -17.775 68.624 53.675 1.00 28.99 C ATOM 699 OD1 ASP 93 -16.806 68.629 52.882 1.00 30.26 O ATOM 700 OD2 ASP 93 -18.852 69.212 53.396 1.00 31.87 O ATOM 701 N CYS 94 -13.975 67.437 54.788 1.00 20.04 N ATOM 702 CA CYS 94 -12.776 68.237 54.723 1.00 19.48 C ATOM 703 C CYS 94 -11.943 68.071 53.466 1.00 21.31 C ATOM 704 O CYS 94 -10.920 68.753 53.320 1.00 21.33 O ATOM 705 CB CYS 94 -11.897 67.878 55.881 1.00 19.53 C ATOM 706 SG CYS 94 -11.479 66.125 55.878 1.00 18.82 S ATOM 707 N LEU 95 -12.343 67.180 52.557 1.00 21.17 N ATOM 708 CA LEU 95 -11.546 66.983 51.351 1.00 19.32 C ATOM 709 C LEU 95 -11.671 68.182 50.425 1.00 18.69 C ATOM 710 O LEU 95 -12.587 68.239 49.604 1.00 19.46 O ATOM 711 CB LEU 95 -11.945 65.693 50.653 1.00 16.16 C ATOM 712 CG LEU 95 -11.739 64.491 51.550 1.00 15.06 C ATOM 713 CD1 LEU 95 -11.982 63.226 50.798 1.00 13.26 C ATOM 714 CD2 LEU 95 -10.356 64.513 52.076 1.00 13.99 C ATOM 715 N TYR 96 -10.757 69.139 50.582 1.00 16.44 N ATOM 716 CA TYR 96 -10.725 70.376 49.796 1.00 15.00 C ATOM 717 C TYR 96 -9.288 70.742 49.505 1.00 15.51 C ATOM 718 O TYR 96 -8.402 70.306 50.211 1.00 17.97 O ATOM 719 CB TYR 96 -11.337 71.520 50.601 1.00 13.89 C ATOM 720 CG TYR 96 -12.798 71.333 50.887 1.00 13.34 C ATOM 721 CD1 TYR 96 -13.213 70.515 51.893 1.00 13.37 C ATOM 722 CD2 TYR 96 -13.765 71.936 50.096 1.00 13.82 C ATOM 723 CE1 TYR 96 -14.550 70.282 52.111 1.00 16.98 C ATOM 724 CE2 TYR 96 -15.101 71.712 50.301 1.00 13.87 C ATOM 725 CZ TYR 96 -15.488 70.880 51.310 1.00 16.39 C ATOM 726 OH TYR 96 -16.813 70.611 51.519 1.00 18.06 O ATOM 727 N LEU 97 -9.048 71.521 48.458 1.00 15.84 N ATOM 728 CA LEU 97 -7.703 71.953 48.125 1.00 15.08 C ATOM 729 C LEU 97 -7.708 73.460 48.031 1.00 15.20 C ATOM 730 O LEU 97 -8.770 74.057 47.916 1.00 16.60 O ATOM 731 CB LEU 97 -7.212 71.308 46.832 1.00 16.38 C ATOM 732 CG LEU 97 -7.885 71.427 45.469 1.00 17.59 C ATOM 733 CD1 LEU 97 -7.436 72.674 44.765 1.00 19.47 C ATOM 734 CD2 LEU 97 -7.445 70.260 44.646 1.00 16.44 C ATOM 735 N ASN 98 -6.537 74.068 48.147 1.00 15.64 N ATOM 736 CA ASN 98 -6.380 75.520 48.094 1.00 17.11 C ATOM 737 C ASN 98 -5.289 75.831 47.063 1.00 17.26 C ATOM 738 O ASN 98 -4.243 75.172 47.063 1.00 17.27 O ATOM 739 CB ASN 98 -5.913 76.078 49.465 1.00 18.52 C ATOM 740 CG ASN 98 -6.749 75.587 50.630 1.00 17.37 C ATOM 741 OD1 ASN 98 -7.897 75.973 50.780 1.00 19.01 O ATOM 742 ND2 ASN 98 -6.173 74.731 51.455 1.00 15.67 N ATOM 743 N ILE 99 -5.504 76.844 46.224 1.00 17.62 N ATOM 744 CA ILE 99 -4.534 77.232 45.188 1.00 18.31 C ATOM 745 C ILE 99 -4.158 78.705 45.310 1.00 18.48 C ATOM 746 O ILE 99 -5.025 79.562 45.450 1.00 19.41 O ATOM 747 CB ILE 99 -5.119 77.032 43.742 1.00 17.35 C ATOM 748 CG1 ILE 99 -5.620 75.617 43.543 1.00 17.53 C ATOM 749 CG2 ILE 99 -4.071 77.281 42.713 1.00 15.39 C ATOM 750 CD1 ILE 99 -6.683 75.536 42.529 1.00 19.88 C ATOM 751 N TRP 100 -2.875 79.001 45.319 1.00 18.38 N ATOM 752 CA TRP 100 -2.454 80.386 45.369 1.00 21.18 C ATOM 753 C TRP 100 -1.898 80.555 43.968 1.00 22.97 C ATOM 754 O TRP 100 -1.170 79.682 43.516 1.00 25.19 O ATOM 755 CB TRP 100 -1.371 80.605 46.435 1.00 19.80 C ATOM 756 CG TRP 100 -1.953 80.762 47.788 1.00 19.65 C ATOM 757 CD1 TRP 100 -2.451 81.900 48.333 1.00 19.46 C ATOM 758 CD2 TRP 100 -2.224 79.717 48.726 1.00 19.21 C ATOM 759 NE1 TRP 100 -3.043 81.631 49.543 1.00 19.56 N ATOM 760 CE2 TRP 100 -2.915 80.291 49.804 1.00 20.02 C ATOM 761 CE3 TRP 100 -1.952 78.348 48.756 1.00 18.74 C ATOM 762 CZ2 TRP 100 -3.339 79.542 50.895 1.00 19.32 C ATOM 763 CZ3 TRP 100 -2.372 77.608 49.840 1.00 18.52 C ATOM 764 CH2 TRP 100 -3.058 78.204 50.893 1.00 19.41 C ATOM 765 N VAL 101 -2.293 81.611 43.251 1.00 23.37 N ATOM 766 CA VAL 101 -1.833 81.835 41.879 1.00 21.76 C ATOM 767 C VAL 101 -1.284 83.230 41.697 1.00 21.37 C ATOM 768 O VAL 101 -1.945 84.219 42.020 1.00 21.67 O ATOM 769 CB VAL 101 -2.986 81.713 40.875 1.00 22.60 C ATOM 770 CG1 VAL 101 -2.439 81.770 39.475 1.00 21.61 C ATOM 771 CG2 VAL 101 -3.802 80.433 41.117 1.00 20.30 C ATOM 772 N PRO 102 -0.087 83.346 41.148 1.00 20.19 N ATOM 773 CA PRO 102 0.459 84.679 40.960 1.00 21.62 C ATOM 774 C PRO 102 -0.465 85.556 40.130 1.00 25.61 C ATOM 775 O PRO 102 -1.264 85.059 39.334 1.00 26.60 O ATOM 776 CB PRO 102 1.746 84.400 40.222 1.00 18.37 C ATOM 777 CG PRO 102 2.157 83.106 40.797 1.00 18.20 C ATOM 778 CD PRO 102 0.894 82.321 40.796 1.00 18.64 C ATOM 779 N SER 103 -0.407 86.861 40.369 1.00 29.15 N ATOM 780 CA SER 103 -1.207 87.807 39.622 1.00 31.01 C ATOM 781 C SER 103 -0.222 88.765 39.011 1.00 33.48 C ATOM 782 O SER 103 0.503 89.431 39.746 1.00 34.82 O ATOM 783 CB SER 103 -2.098 88.610 40.526 1.00 30.59 C ATOM 784 OG SER 103 -2.544 89.752 39.806 1.00 32.20 O ATOM 785 N PRO 104 -0.223 88.915 37.663 1.00 35.40 N ATOM 786 CA PRO 104 -1.088 88.248 36.686 1.00 34.28 C ATOM 787 C PRO 104 -0.926 86.736 36.530 1.00 32.65 C ATOM 788 O PRO 104 0.177 86.199 36.501 1.00 32.33 O ATOM 789 CB PRO 104 -0.762 88.992 35.384 1.00 35.47 C ATOM 790 CG PRO 104 0.672 89.313 35.543 1.00 35.49 C ATOM 791 CD PRO 104 0.703 89.838 36.971 1.00 36.63 C ATOM 792 N ARG 105 -2.074 86.078 36.448 1.00 32.29 N ATOM 793 CA ARG 105 -2.192 84.643 36.277 1.00 32.04 C ATOM 794 C ARG 105 -1.232 84.277 35.203 1.00 31.99 C ATOM 795 O ARG 105 -1.254 84.886 34.143 1.00 33.51 O ATOM 796 CB ARG 105 -3.596 84.306 35.779 1.00 30.39 C ATOM 797 CG ARG 105 -3.861 82.823 35.745 1.00 30.97 C ATOM 798 CD ARG 105 -5.204 82.501 35.136 1.00 30.67 C ATOM 799 NE ARG 105 -6.309 83.155 35.815 1.00 31.41 N ATOM 800 CZ ARG 105 -7.581 82.954 35.475 1.00 33.86 C ATOM 801 NH1 ARG 105 -7.870 82.112 34.479 1.00 34.60 N ATOM 802 NH2 ARG 105 -8.567 83.629 36.075 1.00 33.38 N ATOM 803 N PRO 106 -0.343 83.316 35.465 1.00 31.50 N ATOM 804 CA PRO 106 0.661 82.852 34.497 1.00 30.91 C ATOM 805 C PRO 106 -0.099 82.059 33.452 1.00 31.01 C ATOM 806 O PRO 106 -1.303 81.876 33.609 1.00 30.60 O ATOM 807 CB PRO 106 1.516 81.905 35.327 1.00 29.85 C ATOM 808 CG PRO 106 1.252 82.310 36.737 1.00 30.87 C ATOM 809 CD PRO 106 -0.224 82.578 36.722 1.00 30.37 C ATOM 810 N LYS 107 0.571 81.619 32.385 1.00 31.93 N ATOM 811 CA LYS 107 -0.102 80.821 31.351 1.00 33.71 C ATOM 812 C LYS 107 0.295 79.379 31.580 1.00 34.00 C ATOM 813 O LYS 107 -0.492 78.457 31.345 1.00 34.28 O ATOM 814 CB LYS 107 0.328 81.240 29.945 1.00 33.81 C ATOM 815 CG LYS 107 0.067 82.696 29.609 1.00 34.51 C ATOM 816 CD LYS 107 -1.410 83.033 29.624 1.00 37.21 C ATOM 817 CE LYS 107 -1.564 84.567 29.667 1.00 40.19 C ATOM 818 NZ LYS 107 -2.994 85.051 29.662 1.00 42.96 N ATOM 819 N SER 108 1.548 79.187 31.987 1.00 33.73 N ATOM 820 CA SER 108 2.035 77.853 32.283 1.00 33.66 C ATOM 821 C SER 108 3.245 77.807 33.208 1.00 34.14 C ATOM 822 O SER 108 4.372 77.696 32.700 1.00 37.53 O ATOM 823 CB SER 108 2.390 77.106 31.004 1.00 31.88 C ATOM 824 OG SER 108 1.419 76.113 30.699 1.00 34.82 O ATOM 825 N THR 109 3.059 77.988 34.523 1.00 32.25 N ATOM 826 CA THR 109 4.185 77.842 35.463 1.00 29.09 C ATOM 827 C THR 109 4.167 76.524 36.221 1.00 27.63 C ATOM 828 O THR 109 3.162 75.801 36.286 1.00 26.49 O ATOM 829 CB THR 109 4.230 78.852 36.570 1.00 26.89 C ATOM 830 OG1 THR 109 2.975 79.523 36.669 1.00 28.65 O ATOM 831 CG2 THR 109 5.372 79.791 36.368 1.00 28.52 C ATOM 832 N THR 110 5.302 76.265 36.844 1.00 26.64 N ATOM 833 CA THR 110 5.512 75.100 37.665 1.00 25.14 C ATOM 834 C THR 110 4.506 75.056 38.812 1.00 23.09 C ATOM 835 O THR 110 4.171 76.076 39.415 1.00 21.17 O ATOM 836 CB THR 110 6.892 75.167 38.228 1.00 25.55 C ATOM 837 OG1 THR 110 7.757 75.757 37.243 1.00 26.79 O ATOM 838 CG2 THR 110 7.378 73.786 38.531 1.00 28.72 C ATOM 839 N VAL 111 3.980 73.873 39.070 1.00 22.60 N ATOM 840 CA VAL 111 3.022 73.690 40.146 1.00 21.84 C ATOM 841 C VAL 111 3.693 72.974 41.336 1.00 21.36 C ATOM 842 O VAL 111 4.465 72.022 41.146 1.00 19.40 O ATOM 843 CB VAL 111 1.859 72.853 39.663 1.00 20.95 C ATOM 844 CG1 VAL 111 0.908 72.592 40.797 1.00 20.69 C ATOM 845 CG2 VAL 111 1.153 73.572 38.544 1.00 18.25 C ATOM 846 N MET 112 3.438 73.474 42.548 1.00 20.33 N ATOM 847 CA MET 112 3.951 72.892 43.795 1.00 17.72 C ATOM 848 C MET 112 2.775 72.512 44.684 1.00 16.70 C ATOM 849 O MET 112 2.035 73.376 45.124 1.00 18.32 O ATOM 850 CB MET 112 4.864 73.879 44.498 1.00 16.99 C ATOM 851 CG MET 112 6.151 74.017 43.773 1.00 17.28 C ATOM 852 SD MET 112 7.328 74.921 44.662 1.00 20.28 S ATOM 853 CE MET 112 8.009 73.686 45.624 1.00 19.76 C ATOM 854 N VAL 113 2.556 71.213 44.863 1.00 15.82 N ATOM 855 CA VAL 113 1.465 70.687 45.680 1.00 16.21 C ATOM 856 C VAL 113 2.027 70.259 47.038 1.00 18.28 C ATOM 857 O VAL 113 2.895 69.392 47.106 1.00 17.92 O ATOM 858 CB VAL 113 0.817 69.463 45.008 1.00 13.36 C ATOM 859 CG1 VAL 113 -0.371 69.000 45.781 1.00 10.13 C ATOM 860 CG2 VAL 113 0.392 69.803 43.638 1.00 12.43 C ATOM 861 N TRP 114 1.540 70.884 48.108 1.00 20.48 N ATOM 862 CA TRP 114 1.972 70.610 49.487 1.00 18.29 C ATOM 863 C TRP 114 1.097 69.573 50.175 1.00 18.13 C ATOM 864 O TRP 114 -0.116 69.740 50.222 1.00 18.16 O ATOM 865 CB TRP 114 1.921 71.915 50.301 1.00 18.59 C ATOM 866 CG TRP 114 2.187 71.747 51.780 1.00 17.85 C ATOM 867 CD1 TRP 114 1.264 71.760 52.793 1.00 18.55 C ATOM 868 CD2 TRP 114 3.446 71.482 52.394 1.00 15.20 C ATOM 869 NE1 TRP 114 1.882 71.503 53.990 1.00 17.34 N ATOM 870 CE2 TRP 114 3.219 71.329 53.768 1.00 15.58 C ATOM 871 CE3 TRP 114 4.746 71.353 51.912 1.00 13.22 C ATOM 872 CZ2 TRP 114 4.235 71.054 54.653 1.00 14.77 C ATOM 873 CZ3 TRP 114 5.750 71.084 52.794 1.00 14.51 C ATOM 874 CH2 TRP 114 5.493 70.936 54.149 1.00 14.62 C ATOM 875 N ILE 115 1.707 68.497 50.675 1.00 18.20 N ATOM 876 CA ILE 115 0.994 67.454 51.415 1.00 18.26 C ATOM 877 C ILE 115 1.446 67.617 52.869 1.00 18.78 C ATOM 878 O ILE 115 2.622 67.408 53.185 1.00 17.59 O ATOM 879 CB ILE 115 1.376 66.051 50.939 1.00 16.78 C ATOM 880 CG1 ILE 115 1.252 65.981 49.404 1.00 16.08 C ATOM 881 CG2 ILE 115 0.489 65.052 51.632 1.00 13.55 C ATOM 882 CD1 ILE 115 1.685 64.717 48.746 1.00 12.73 C ATOM 883 N TYR 116 0.544 68.060 53.740 1.00 17.75 N ATOM 884 CA TYR 116 0.899 68.284 55.144 1.00 15.65 C ATOM 885 C TYR 116 1.299 67.052 55.909 1.00 17.78 C ATOM 886 O TYR 116 0.917 65.943 55.549 1.00 19.32 O ATOM 887 CB TYR 116 -0.220 68.998 55.903 1.00 12.06 C ATOM 888 CG TYR 116 -1.572 68.321 55.921 1.00 7.98 C ATOM 889 CD1 TYR 116 -1.780 67.132 56.580 1.00 8.00 C ATOM 890 CD2 TYR 116 -2.654 68.902 55.305 1.00 7.49 C ATOM 891 CE1 TYR 116 -3.035 66.543 56.618 1.00 5.28 C ATOM 892 CE2 TYR 116 -3.901 68.318 55.342 1.00 6.54 C ATOM 893 CZ TYR 116 -4.082 67.149 55.991 1.00 6.46 C ATOM 894 OH TYR 116 -5.331 66.586 55.977 1.00 11.89 O ATOM 895 N GLY 117 2.080 67.256 56.971 1.00 18.61 N ATOM 896 CA GLY 117 2.494 66.157 57.827 1.00 15.83 C ATOM 897 C GLY 117 1.554 65.989 59.012 1.00 14.18 C ATOM 898 O GLY 117 0.457 66.545 59.032 1.00 11.17 O ATOM 899 N GLY 118 1.992 65.197 59.989 1.00 15.54 N ATOM 900 CA GLY 118 1.207 64.949 61.190 1.00 14.32 C ATOM 901 C GLY 118 1.071 63.503 61.640 1.00 14.61 C ATOM 902 O GLY 118 0.058 63.128 62.192 1.00 16.57 O ATOM 903 N GLY 119 2.058 62.670 61.372 1.00 14.38 N ATOM 904 CA GLY 119 1.977 61.283 61.782 1.00 14.68 C ATOM 905 C GLY 119 0.781 60.541 61.236 1.00 16.41 C ATOM 906 O GLY 119 0.437 59.459 61.716 1.00 17.36 O ATOM 907 N PHE 120 0.144 61.107 60.217 1.00 17.83 N ATOM 908 CA PHE 120 -1.031 60.505 59.614 1.00 16.26 C ATOM 909 C PHE 120 -2.229 60.548 60.561 1.00 16.56 C ATOM 910 O PHE 120 -3.324 60.147 60.179 1.00 16.84 O ATOM 911 CB PHE 120 -0.760 59.069 59.169 1.00 15.84 C ATOM 912 CG PHE 120 0.162 58.946 57.987 1.00 16.55 C ATOM 913 CD1 PHE 120 -0.195 59.449 56.751 1.00 16.46 C ATOM 914 CD2 PHE 120 1.353 58.261 58.097 1.00 17.08 C ATOM 915 CE1 PHE 120 0.622 59.264 55.649 1.00 16.51 C ATOM 916 CE2 PHE 120 2.166 58.078 56.993 1.00 18.14 C ATOM 917 CZ PHE 120 1.789 58.585 55.766 1.00 15.33 C ATOM 918 N TYR 121 -2.030 61.004 61.798 1.00 14.88 N ATOM 919 CA TYR 121 -3.149 61.136 62.746 1.00 13.81 C ATOM 920 C TYR 121 -3.666 62.575 62.787 1.00 13.68 C ATOM 921 O TYR 121 -4.712 62.828 63.374 1.00 13.59 O ATOM 922 CB TYR 121 -2.792 60.675 64.178 1.00 11.87 C ATOM 923 CG TYR 121 -1.837 61.567 64.922 1.00 8.99 C ATOM 924 CD1 TYR 121 -2.283 62.680 65.626 1.00 10.09 C ATOM 925 CD2 TYR 121 -0.479 61.326 64.879 1.00 9.44 C ATOM 926 CE1 TYR 121 -1.383 63.532 66.260 1.00 10.62 C ATOM 927 CE2 TYR 121 0.413 62.161 65.499 1.00 11.89 C ATOM 928 CZ TYR 121 -0.040 63.258 66.186 1.00 12.22 C ATOM 929 OH TYR 121 0.897 64.071 66.783 1.00 18.45 O ATOM 930 N SER 122 -2.934 63.514 62.189 1.00 11.65 N ATOM 931 CA SER 122 -3.368 64.907 62.187 1.00 13.84 C ATOM 932 C SER 122 -2.859 65.709 60.984 1.00 13.62 C ATOM 933 O SER 122 -2.179 65.184 60.117 1.00 12.58 O ATOM 934 CB SER 122 -2.926 65.599 63.489 1.00 14.95 C ATOM 935 OG SER 122 -1.510 65.653 63.608 1.00 12.87 O ATOM 936 N GLY 123 -3.219 66.979 60.934 1.00 13.70 N ATOM 937 CA GLY 123 -2.765 67.827 59.860 1.00 14.31 C ATOM 938 C GLY 123 -3.876 68.732 59.400 1.00 15.93 C ATOM 939 O GLY 123 -5.053 68.395 59.503 1.00 17.42 O ATOM 940 N SER 124 -3.505 69.880 58.868 1.00 16.38 N ATOM 941 CA SER 124 -4.458 70.847 58.375 1.00 17.92 C ATOM 942 C SER 124 -3.766 71.581 57.252 1.00 20.01 C ATOM 943 O SER 124 -2.595 71.931 57.363 1.00 19.67 O ATOM 944 CB SER 124 -4.778 71.853 59.463 1.00 18.94 C ATOM 945 OG SER 124 -5.371 71.193 60.543 1.00 23.17 O ATOM 946 N SER 125 -4.469 71.817 56.159 1.00 20.86 N ATOM 947 CA SER 125 -3.845 72.524 55.062 1.00 21.69 C ATOM 948 C SER 125 -4.040 73.998 55.311 1.00 21.73 C ATOM 949 O SER 125 -3.624 74.822 54.522 1.00 22.11 O ATOM 950 CB SER 125 -4.551 72.160 53.775 1.00 22.03 C ATOM 951 OG SER 125 -5.844 72.724 53.783 1.00 22.01 O ATOM 952 N THR 126 -4.682 74.329 56.420 1.00 21.91 N ATOM 953 CA THR 126 -4.989 75.710 56.714 1.00 20.42 C ATOM 954 C THR 126 -4.090 76.388 57.733 1.00 20.83 C ATOM 955 O THR 126 -4.254 77.575 58.026 1.00 21.79 O ATOM 956 CB THR 126 -6.495 75.820 57.087 1.00 20.06 C ATOM 957 OG1 THR 126 -6.843 74.797 58.027 1.00 20.49 O ATOM 958 CG2 THR 126 -7.356 75.542 55.856 1.00 19.82 C ATOM 959 N LEU 127 -3.084 75.678 58.229 1.00 21.18 N ATOM 960 CA LEU 127 -2.215 76.266 59.234 1.00 21.24 C ATOM 961 C LEU 127 -1.611 77.512 58.651 1.00 23.40 C ATOM 962 O LEU 127 -1.562 77.667 57.433 1.00 25.87 O ATOM 963 CB LEU 127 -1.100 75.320 59.643 1.00 18.29 C ATOM 964 CG LEU 127 -1.479 73.921 60.088 1.00 19.18 C ATOM 965 CD1 LEU 127 -0.287 73.296 60.794 1.00 17.02 C ATOM 966 CD2 LEU 127 -2.713 73.972 60.973 1.00 16.85 C ATOM 967 N ASP 128 -1.089 78.377 59.505 1.00 24.09 N ATOM 968 CA ASP 128 -0.511 79.596 59.020 1.00 24.42 C ATOM 969 C ASP 128 0.826 79.342 58.376 1.00 23.78 C ATOM 970 O ASP 128 1.197 80.054 57.455 1.00 24.07 O ATOM 971 CB ASP 128 -0.389 80.612 60.151 1.00 27.75 C ATOM 972 CG ASP 128 -1.743 81.076 60.663 1.00 31.88 C ATOM 973 OD1 ASP 128 -2.628 81.465 59.849 1.00 33.80 O ATOM 974 OD2 ASP 128 -1.938 81.050 61.900 1.00 37.49 O ATOM 975 N VAL 129 1.584 78.378 58.887 1.00 23.19 N ATOM 976 CA VAL 129 2.889 78.098 58.294 1.00 22.69 C ATOM 977 C VAL 129 2.796 77.473 56.922 1.00 23.34 C ATOM 978 O VAL 129 3.816 77.341 56.263 1.00 23.09 O ATOM 979 CB VAL 129 3.747 77.139 59.123 1.00 20.85 C ATOM 980 CG1 VAL 129 4.525 77.892 60.118 1.00 19.90 C ATOM 981 CG2 VAL 129 2.889 76.075 59.749 1.00 17.67 C ATOM 982 N TYR 130 1.611 76.975 56.551 1.00 23.90 N ATOM 983 CA TYR 130 1.410 76.348 55.237 1.00 24.26 C ATOM 984 C TYR 130 0.817 77.359 54.274 1.00 26.05 C ATOM 985 O TYR 130 0.312 76.993 53.227 1.00 28.68 O ATOM 986 CB TYR 130 0.477 75.135 55.321 1.00 17.53 C ATOM 987 CG TYR 130 0.978 74.014 56.201 1.00 14.34 C ATOM 988 CD1 TYR 130 2.332 73.855 56.477 1.00 14.12 C ATOM 989 CD2 TYR 130 0.092 73.110 56.765 1.00 14.18 C ATOM 990 CE1 TYR 130 2.784 72.828 57.280 1.00 12.06 C ATOM 991 CE2 TYR 130 0.537 72.093 57.565 1.00 12.59 C ATOM 992 CZ TYR 130 1.880 71.953 57.812 1.00 12.72 C ATOM 993 OH TYR 130 2.313 70.883 58.541 1.00 15.64 O ATOM 994 N ASN 131 0.905 78.635 54.620 1.00 28.17 N ATOM 995 CA ASN 131 0.350 79.710 53.811 1.00 27.63 C ATOM 996 C ASN 131 1.208 79.889 52.574 1.00 27.69 C ATOM 997 O ASN 131 2.220 80.585 52.615 1.00 27.08 O ATOM 998 CB ASN 131 0.359 80.952 54.671 1.00 29.02 C ATOM 999 CG ASN 131 -0.205 82.135 53.988 1.00 31.05 C ATOM 1000 OD1 ASN 131 -1.401 82.238 53.743 1.00 31.08 O ATOM 1001 ND2 ASN 131 0.653 83.086 53.720 1.00 35.09 N ATOM 1002 N GLY 132 0.775 79.288 51.465 1.00 28.28 N ATOM 1003 CA GLY 132 1.523 79.341 50.205 1.00 28.06 C ATOM 1004 C GLY 132 1.661 80.607 49.359 1.00 27.77 C ATOM 1005 O GLY 132 2.222 80.554 48.252 1.00 27.83 O ATOM 1006 N LYS 133 1.226 81.751 49.866 1.00 26.60 N ATOM 1007 CA LYS 133 1.294 82.983 49.106 1.00 25.35 C ATOM 1008 C LYS 133 2.653 83.606 48.954 1.00 25.28 C ATOM 1009 O LYS 133 2.897 84.296 47.974 1.00 28.18 O ATOM 1010 CB LYS 133 0.357 84.024 49.688 1.00 25.93 C ATOM 1011 CG LYS 133 0.816 84.626 50.999 1.00 27.68 C ATOM 1012 CD LYS 133 -0.290 85.501 51.568 1.00 26.26 C ATOM 1013 CE LYS 133 0.249 86.501 52.538 1.00 25.21 C ATOM 1014 NZ LYS 133 -0.884 87.376 52.981 1.00 26.73 N ATOM 1015 N TYR 134 3.549 83.397 49.903 1.00 23.60 N ATOM 1016 CA TYR 134 4.848 84.020 49.790 1.00 22.59 C ATOM 1017 C TYR 134 5.644 83.239 48.808 1.00 21.76 C ATOM 1018 O TYR 134 6.493 83.799 48.140 1.00 23.79 O ATOM 1019 CB TYR 134 5.572 84.060 51.134 1.00 23.86 C ATOM 1020 CG TYR 134 4.749 84.638 52.259 1.00 25.50 C ATOM 1021 CD1 TYR 134 3.928 83.822 53.030 1.00 27.29 C ATOM 1022 CD2 TYR 134 4.752 85.992 52.524 1.00 24.83 C ATOM 1023 CE1 TYR 134 3.123 84.349 54.039 1.00 27.13 C ATOM 1024 CE2 TYR 134 3.954 86.526 53.525 1.00 26.60 C ATOM 1025 CZ TYR 134 3.141 85.697 54.277 1.00 28.36 C ATOM 1026 OH TYR 134 2.327 86.217 55.279 1.00 31.42 O ATOM 1027 N LEU 135 5.413 81.934 48.735 1.00 21.69 N ATOM 1028 CA LEU 135 6.150 81.082 47.796 1.00 21.72 C ATOM 1029 C LEU 135 5.581 81.342 46.411 1.00 23.64 C ATOM 1030 O LEU 135 6.327 81.624 45.458 1.00 24.18 O ATOM 1031 CB LEU 135 5.978 79.621 48.169 1.00 19.60 C ATOM 1032 CG LEU 135 6.952 78.599 47.618 1.00 17.48 C ATOM 1033 CD1 LEU 135 8.338 79.189 47.573 1.00 15.47 C ATOM 1034 CD2 LEU 135 6.898 77.368 48.500 1.00 13.28 C ATOM 1035 N ALA 136 4.256 81.312 46.307 1.00 23.10 N ATOM 1036 CA ALA 136 3.604 81.584 45.037 1.00 24.02 C ATOM 1037 C ALA 136 4.129 82.916 44.529 1.00 26.75 C ATOM 1038 O ALA 136 4.774 83.003 43.470 1.00 27.25 O ATOM 1039 CB ALA 136 2.113 81.673 45.229 1.00 23.03 C ATOM 1040 N TYR 137 3.874 83.955 45.312 1.00 27.42 N ATOM 1041 CA TYR 137 4.290 85.299 44.962 1.00 27.51 C ATOM 1042 C TYR 137 5.769 85.386 44.689 1.00 26.89 C ATOM 1043 O TYR 137 6.183 85.696 43.587 1.00 29.17 O ATOM 1044 CB TYR 137 3.918 86.273 46.080 1.00 28.46 C ATOM 1045 CG TYR 137 4.443 87.658 45.855 1.00 31.64 C ATOM 1046 CD1 TYR 137 5.733 88.010 46.243 1.00 32.99 C ATOM 1047 CD2 TYR 137 3.675 88.612 45.202 1.00 33.58 C ATOM 1048 CE1 TYR 137 6.248 89.276 45.980 1.00 36.06 C ATOM 1049 CE2 TYR 137 4.186 89.896 44.925 1.00 35.89 C ATOM 1050 CZ TYR 137 5.472 90.215 45.316 1.00 37.01 C ATOM 1051 OH TYR 137 5.994 91.466 45.000 1.00 40.33 O ATOM 1052 N THR 138 6.574 85.099 45.697 1.00 26.29 N ATOM 1053 CA THR 138 8.025 85.187 45.572 1.00 24.14 C ATOM 1054 C THR 138 8.619 84.389 44.431 1.00 23.62 C ATOM 1055 O THR 138 9.448 84.916 43.707 1.00 24.98 O ATOM 1056 CB THR 138 8.714 84.851 46.926 1.00 21.07 C ATOM 1057 OG1 THR 138 8.289 85.806 47.898 1.00 22.39 O ATOM 1058 CG2 THR 138 10.188 84.957 46.846 1.00 20.82 C ATOM 1059 N GLU 139 8.166 83.155 44.218 1.00 24.48 N ATOM 1060 CA GLU 139 8.740 82.307 43.167 1.00 24.38 C ATOM 1061 C GLU 139 7.892 82.082 41.913 1.00 24.89 C ATOM 1062 O GLU 139 8.250 81.273 41.058 1.00 25.94 O ATOM 1063 CB GLU 139 9.155 80.946 43.730 1.00 23.31 C ATOM 1064 CG GLU 139 10.215 80.953 44.795 1.00 22.12 C ATOM 1065 CD GLU 139 11.508 81.523 44.321 1.00 25.44 C ATOM 1066 OE1 GLU 139 12.227 80.902 43.519 1.00 27.50 O ATOM 1067 OE2 GLU 139 11.845 82.619 44.773 1.00 30.01 O ATOM 1068 N GLU 140 6.751 82.744 41.805 1.00 25.93 N ATOM 1069 CA GLU 140 5.934 82.592 40.614 1.00 28.00 C ATOM 1070 C GLU 140 5.521 81.163 40.373 1.00 26.52 C ATOM 1071 O GLU 140 5.622 80.669 39.252 1.00 27.06 O ATOM 1072 CB GLU 140 6.697 83.099 39.377 1.00 30.91 C ATOM 1073 CG GLU 140 6.242 84.473 38.853 1.00 37.99 C ATOM 1074 CD GLU 140 7.403 85.454 38.729 1.00 42.85 C ATOM 1075 OE1 GLU 140 8.535 85.030 38.333 1.00 44.78 O ATOM 1076 OE2 GLU 140 7.193 86.660 39.040 1.00 45.47 O ATOM 1077 N VAL 141 5.100 80.468 41.412 1.00 23.21 N ATOM 1078 CA VAL 141 4.663 79.105 41.206 1.00 21.24 C ATOM 1079 C VAL 141 3.242 79.040 41.650 1.00 20.48 C ATOM 1080 O VAL 141 2.785 79.898 42.382 1.00 20.77 O ATOM 1081 CB VAL 141 5.465 78.091 42.013 1.00 21.38 C ATOM 1082 CG1 VAL 141 6.874 78.013 41.501 1.00 19.82 C ATOM 1083 CG2 VAL 141 5.443 78.439 43.474 1.00 19.95 C ATOM 1084 N VAL 142 2.505 78.084 41.123 1.00 21.49 N ATOM 1085 CA VAL 142 1.123 77.926 41.534 1.00 22.48 C ATOM 1086 C VAL 142 1.239 76.972 42.713 1.00 23.60 C ATOM 1087 O VAL 142 1.765 75.866 42.574 1.00 23.65 O ATOM 1088 CB VAL 142 0.263 77.304 40.417 1.00 21.38 C ATOM 1089 CG1 VAL 142 -1.130 76.964 40.940 1.00 18.73 C ATOM 1090 CG2 VAL 142 0.172 78.275 39.256 1.00 21.06 C ATOM 1091 N LEU 143 0.828 77.408 43.891 1.00 23.43 N ATOM 1092 CA LEU 143 0.943 76.535 45.041 1.00 21.43 C ATOM 1093 C LEU 143 -0.383 75.959 45.388 1.00 19.77 C ATOM 1094 O LEU 143 -1.362 76.683 45.560 1.00 20.53 O ATOM 1095 CB LEU 143 1.507 77.280 46.246 1.00 21.87 C ATOM 1096 CG LEU 143 2.313 76.364 47.157 1.00 22.13 C ATOM 1097 CD1 LEU 143 3.664 76.941 47.383 1.00 23.90 C ATOM 1098 CD2 LEU 143 1.602 76.191 48.458 1.00 24.43 C ATOM 1099 N VAL 144 -0.446 74.643 45.400 1.00 18.95 N ATOM 1100 CA VAL 144 -1.668 73.977 45.779 1.00 17.15 C ATOM 1101 C VAL 144 -1.309 73.286 47.080 1.00 17.02 C ATOM 1102 O VAL 144 -0.157 72.896 47.292 1.00 14.52 O ATOM 1103 CB VAL 144 -2.086 72.886 44.752 1.00 14.64 C ATOM 1104 CG1 VAL 144 -3.416 72.313 45.106 1.00 12.93 C ATOM 1105 CG2 VAL 144 -2.162 73.450 43.410 1.00 14.57 C ATOM 1106 N SER 145 -2.265 73.203 47.979 1.00 16.02 N ATOM 1107 CA SER 145 -2.048 72.480 49.208 1.00 17.00 C ATOM 1108 C SER 145 -3.329 71.683 49.311 1.00 16.25 C ATOM 1109 O SER 145 -4.413 72.199 49.092 1.00 15.29 O ATOM 1110 CB SER 145 -1.794 73.410 50.409 1.00 16.13 C ATOM 1111 OG SER 145 -2.893 74.240 50.720 1.00 18.64 O ATOM 1112 N LEU 146 -3.187 70.379 49.409 1.00 17.65 N ATOM 1113 CA LEU 146 -4.344 69.522 49.497 1.00 19.05 C ATOM 1114 C LEU 146 -4.565 69.072 50.951 1.00 21.12 C ATOM 1115 O LEU 146 -3.770 69.389 51.843 1.00 21.50 O ATOM 1116 CB LEU 146 -4.127 68.323 48.579 1.00 17.69 C ATOM 1117 CG LEU 146 -2.864 67.497 48.801 1.00 19.37 C ATOM 1118 CD1 LEU 146 -3.122 66.480 49.897 1.00 20.55 C ATOM 1119 CD2 LEU 146 -2.514 66.735 47.555 1.00 17.31 C ATOM 1120 N SER 147 -5.643 68.344 51.186 1.00 20.45 N ATOM 1121 CA SER 147 -5.930 67.827 52.497 1.00 20.21 C ATOM 1122 C SER 147 -6.339 66.381 52.301 1.00 19.94 C ATOM 1123 O SER 147 -6.686 65.983 51.202 1.00 20.05 O ATOM 1124 CB SER 147 -7.046 68.617 53.136 1.00 20.00 C ATOM 1125 OG SER 147 -8.181 68.553 52.322 1.00 23.75 O ATOM 1126 N TYR 148 -6.201 65.567 53.328 1.00 19.27 N ATOM 1127 CA TYR 148 -6.571 64.175 53.218 1.00 18.84 C ATOM 1128 C TYR 148 -7.041 63.711 54.554 1.00 19.29 C ATOM 1129 O TYR 148 -6.715 64.307 55.567 1.00 21.28 O ATOM 1130 CB TYR 148 -5.397 63.327 52.762 1.00 16.61 C ATOM 1131 CG TYR 148 -4.158 63.436 53.601 1.00 14.75 C ATOM 1132 CD1 TYR 148 -3.246 64.439 53.383 1.00 13.62 C ATOM 1133 CD2 TYR 148 -3.888 62.504 54.595 1.00 14.95 C ATOM 1134 CE1 TYR 148 -2.099 64.515 54.123 1.00 14.82 C ATOM 1135 CE2 TYR 148 -2.753 62.572 55.345 1.00 13.86 C ATOM 1136 CZ TYR 148 -1.861 63.581 55.108 1.00 15.45 C ATOM 1137 OH TYR 148 -0.747 63.686 55.875 1.00 12.65 O ATOM 1138 N ARG 149 -7.854 62.679 54.564 1.00 19.10 N ATOM 1139 CA ARG 149 -8.350 62.175 55.815 1.00 19.22 C ATOM 1140 C ARG 149 -7.190 61.578 56.588 1.00 20.57 C ATOM 1141 O ARG 149 -6.369 60.843 56.037 1.00 21.94 O ATOM 1142 CB ARG 149 -9.422 61.133 55.583 1.00 16.11 C ATOM 1143 CG ARG 149 -10.739 61.707 55.232 1.00 17.40 C ATOM 1144 CD ARG 149 -11.690 60.595 54.858 1.00 18.80 C ATOM 1145 NE ARG 149 -11.417 60.130 53.505 1.00 19.18 N ATOM 1146 CZ ARG 149 -11.928