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HEADER APOPTOSIS/INHIBITOR 13-DEC-12 4IEH
TITLE CRYSTAL STRUCTURE OF HUMAN BCL-2 IN COMPLEX WITH A SMALL MOLECULE
TITLE 2 INHIBITOR TARGETING BCL-2 BH3 DOMAIN INTERACTIONS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1 CHIMERA;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: SEE REMARK 999;
COMPND 5 SYNONYM: BCL2-L-1, APOPTOSIS REGULATOR BCL-X;
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 GENE: BCL2, BCL2L, BCL2L1, BCLX;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS PROTEIN-PROTEIN INTERACTION, ALPHA HELICAL, PRO-APOPTOSIS, CYTOCHROME
KEYWDS 2 C RELEASE, CASPASE ACTIVATION, BIM, BAK, BAD, PUMA, APOPTOSIS-
KEYWDS 3 INHIBITOR COMPLEX
EXPDTA X-RAY DIFFRACTION
AUTHOR X.XIE,R.KULATHILA
REVDAT 3 26-JUL-17 4IEH 1 SOURCE REMARK
REVDAT 2 24-SEP-14 4IEH 1 JRNL
REVDAT 1 10-JUL-13 4IEH 0
JRNL AUTH B.B.TOURE,K.MILLER-MOSLIN,N.YUSUFF,L.PEREZ,M.DORE,C.JOUD,
JRNL AUTH 2 W.MICHAEL,L.DIPIETRO,S.VAN DER PLAS,M.MCEWAN,F.LENOIR,M.HOE,
JRNL AUTH 3 R.KARKI,C.SPRINGER,J.SULLIVAN,K.LEVINE,C.FIORILLA,X.XIE,
JRNL AUTH 4 R.KULATHILA,K.HERLIHY,D.PORTER,M.VISSER
JRNL TITL THE ROLE OF THE ACIDITY OF N-HETEROARYL SULFONAMIDES AS
JRNL TITL 2 INHIBITORS OF BCL-2 FAMILY PROTEIN-PROTEIN INTERACTIONS.
JRNL REF ACS MED CHEM LETT V. 4 186 2013
JRNL REFN ISSN 1948-5875
JRNL PMID 24900652
JRNL DOI 10.1021/ML300321D
REMARK 2
REMARK 2 RESOLUTION. 2.10 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE)
REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN
REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,
REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,
REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,
REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON,
REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,
REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT
REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART
REMARK 3
REMARK 3 REFINEMENT TARGET : ML
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 45.74
REMARK 3 MIN(FOBS/SIGMA_FOBS) : NULL
REMARK 3 COMPLETENESS FOR RANGE (%) : 99.8
REMARK 3 NUMBER OF REFLECTIONS : 15959
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 R VALUE (WORKING + TEST SET) : 0.181
REMARK 3 R VALUE (WORKING SET) : 0.179
REMARK 3 FREE R VALUE : 0.218
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000
REMARK 3 FREE R VALUE TEST SET COUNT : 798
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS).
REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE
REMARK 3 1 45.7512 - 3.8154 0.99 2675 141 0.1840 0.2318
REMARK 3 2 3.8154 - 3.0285 1.00 2544 134 0.1579 0.1876
REMARK 3 3 3.0285 - 2.6458 1.00 2512 132 0.1740 0.1893
REMARK 3 4 2.6458 - 2.4039 1.00 2494 132 0.1750 0.2113
REMARK 3 5 2.4039 - 2.2316 1.00 2482 130 0.1803 0.2638
REMARK 3 6 2.2316 - 2.1000 1.00 2454 129 0.2018 0.2528
REMARK 3
REMARK 3 BULK SOLVENT MODELLING.
REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL
REMARK 3 SOLVENT RADIUS : 1.11
REMARK 3 SHRINKAGE RADIUS : 0.90
REMARK 3 K_SOL : 0.32
REMARK 3 B_SOL : 46.18
REMARK 3
REMARK 3 ERROR ESTIMATES.
REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.230
REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 19.490
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 32.10
REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : -3.71990
REMARK 3 B22 (A**2) : -3.71990
REMARK 3 B33 (A**2) : 7.43980
REMARK 3 B12 (A**2) : 0.00000
REMARK 3 B13 (A**2) : 0.00000
REMARK 3 B23 (A**2) : 0.00000
REMARK 3
REMARK 3 TWINNING INFORMATION.
REMARK 3 FRACTION: NULL
REMARK 3 OPERATOR: NULL
REMARK 3
REMARK 3 DEVIATIONS FROM IDEAL VALUES.
REMARK 3 RMSD COUNT
REMARK 3 BOND : 0.006 1261
REMARK 3 ANGLE : 0.980 1713
REMARK 3 CHIRALITY : 0.061 168
REMARK 3 PLANARITY : 0.006 216
REMARK 3 DIHEDRAL : 22.356 442
REMARK 3
REMARK 3 TLS DETAILS
REMARK 3 NUMBER OF TLS GROUPS : NULL
REMARK 3
REMARK 3 NCS DETAILS
REMARK 3 NUMBER OF NCS GROUPS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 4IEH COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-DEC-12.
REMARK 100 THE DEPOSITION ID IS D_1000076650.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 09-JUN-09
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 8.6
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : SLS
REMARK 200 BEAMLINE : X06SA
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.0
REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL SI(111)
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : PIXEL
REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS
REMARK 200 DATA SCALING SOFTWARE : SCALA
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 15960
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100
REMARK 200 RESOLUTION RANGE LOW (A) : 48.100
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8
REMARK 200 DATA REDUNDANCY : 7.100
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : 0.09400
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 15.1000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.15
REMARK 200 COMPLETENESS FOR SHELL (%) : 99.9
REMARK 200 DATA REDUNDANCY IN SHELL : 7.10
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : 0.46800
REMARK 200 <I/SIGMA(I)> FOR SHELL : 3.900
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: PHASES
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 62.84
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.31
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.05 M SUCCINIC ACID, 0.25 M SODIUM
REMARK 280 MALONATE, 12% PEG3350, 0.1 M TRIS-HCL, PH 8.6, VAPOR DIFFUSION,
REMARK 280 TEMPERATURE 277.0K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2
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 -Y+1/2,X+1/2,Z+3/4
REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4
REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4
REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4
REMARK 290 7555 Y,X,-Z
REMARK 290 8555 -Y,-X,-Z+1/2
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 48.10250
REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 36.76450
REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 36.76450
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 72.15375
REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 36.76450
REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 36.76450
REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 24.05125
REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 36.76450
REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 36.76450
REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 72.15375
REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 36.76450
REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 36.76450
REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 24.05125
REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 48.10250
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465
REMARK 465 M RES C SSSEQI
REMARK 465 GLY A -2
REMARK 465 SER A -1
REMARK 465 HIS A 0
REMARK 465 MET A 1
REMARK 465 ALA A 2
REMARK 465 HIS A 3
REMARK 465 ALA A 4
REMARK 465 GLY A 5
REMARK 465 ARG A 6
REMARK 465 THR A 7
REMARK 465 GLY A 8
REMARK 465 ALA A 32
REMARK 465 GLY A 33
REMARK 465 ASP A 34
REMARK 465 ASP A 35
REMARK 465 VAL A 36
REMARK 465 GLU A 37
REMARK 465 GLU A 38
REMARK 465 ASN A 39
REMARK 465 ARG A 40
REMARK 465 THR A 41
REMARK 465 GLU A 42
REMARK 465 ALA A 43
REMARK 465 PRO A 44
REMARK 465 GLU A 45
REMARK 465 GLY A 46
REMARK 465 THR A 47
REMARK 465 GLU A 48
REMARK 465 SER A 164
REMARK 465 MET A 165
REMARK 465 ARG A 166
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 1E9 A 201
REMARK 999
REMARK 999 SEQUENCE
REMARK 999 PROTEIN IS A CHIMERA COMPRISING RESIDUES 1-34 OF BCL-2 (UNP P10415),
REMARK 999 RESIDUES 29-44 OF BCL-X (UNP Q07817), AND RESIDUES 92-207 OF BCL-2
REMARK 999 (UNP P10415).
DBREF 4IEH A 1 34 UNP P10415 BCL2_HUMAN 1 34
DBREF 4IEH A 35 50 UNP Q07817 B2CL1_HUMAN 29 44
DBREF 4IEH A 51 166 UNP P10415 BCL2_HUMAN 92 207
SEQADV 4IEH GLY A -2 UNP P10415 CLONING ARTIFACT
SEQADV 4IEH SER A -1 UNP P10415 CLONING ARTIFACT
SEQADV 4IEH HIS A 0 UNP P10415 CLONING ARTIFACT
SEQRES 1 A 169 GLY SER HIS MET ALA HIS ALA GLY ARG THR GLY TYR ASP
SEQRES 2 A 169 ASN ARG GLU ILE VAL MET LYS TYR ILE HIS TYR LYS LEU
SEQRES 3 A 169 SER GLN ARG GLY TYR GLU TRP ASP ALA GLY ASP ASP VAL
SEQRES 4 A 169 GLU GLU ASN ARG THR GLU ALA PRO GLU GLY THR GLU SER
SEQRES 5 A 169 GLU VAL VAL HIS LEU THR LEU ARG GLN ALA GLY ASP ASP
SEQRES 6 A 169 PHE SER ARG ARG TYR ARG ARG ASP PHE ALA GLU MET SER
SEQRES 7 A 169 SER GLN LEU HIS LEU THR PRO PHE THR ALA ARG GLY ARG
SEQRES 8 A 169 PHE ALA THR VAL VAL GLU GLU LEU PHE ARG ASP GLY VAL
SEQRES 9 A 169 ASN TRP GLY ARG ILE VAL ALA PHE PHE GLU PHE GLY GLY
SEQRES 10 A 169 VAL MET CYS VAL GLU SER VAL ASN ARG GLU MET SER PRO
SEQRES 11 A 169 LEU VAL ASP ASN ILE ALA LEU TRP MET THR GLU TYR LEU
SEQRES 12 A 169 ASN ARG HIS LEU HIS THR TRP ILE GLN ASP ASN GLY GLY
SEQRES 13 A 169 TRP ASP ALA PHE VAL GLU LEU TYR GLY PRO SER MET ARG
HET 1E9 A 201 59
HETNAM 1E9 N-(6-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-
HETNAM 2 1E9 YL}-1,1-DIOXIDO-1,2-BENZOTHIAZOL-3-YL)-4-{[(2R)-4-
HETNAM 3 1E9 (DIMETHYLAMINO)-1-(PHENYLSULFANYL)BUTAN-2-YL]AMINO}-3-
HETNAM 4 1E9 NITROBENZENESULFONAMIDE
FORMUL 2 1E9 C42 H44 CL N7 O6 S3
FORMUL 3 HOH *184(H2 O)
HELIX 1 1 ASP A 10 ARG A 26 1 17
HELIX 2 2 GLU A 50 TYR A 67 1 18
HELIX 3 3 TYR A 67 SER A 75 1 9
HELIX 4 4 SER A 76 LEU A 78 5 3
HELIX 5 5 THR A 84 PHE A 97 1 14
HELIX 6 6 ASN A 102 ARG A 123 1 22
HELIX 7 7 PRO A 127 LEU A 144 1 18
HELIX 8 8 LEU A 144 ASN A 151 1 8
HELIX 9 9 GLY A 152 GLY A 162 1 11
SITE 1 AC1 20 ALA A 59 ASP A 62 ARG A 66 TYR A 67
SITE 2 AC1 20 PHE A 71 MET A 74 GLY A 104 ARG A 105
SITE 3 AC1 20 VAL A 107 ALA A 108 GLU A 124 MET A 125
SITE 4 AC1 20 SER A 126 PHE A 157 TYR A 161 HOH A 319
SITE 5 AC1 20 HOH A 360 HOH A 366 HOH A 367 HOH A 436
CRYST1 73.529 73.529 96.205 90.00 90.00 90.00 P 43 21 2 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 0.013600 0.000000 0.000000 0.00000
SCALE2 0.000000 0.013600 0.000000 0.00000
SCALE3 0.000000 0.000000 0.010394 0.00000
ATOM 1 N TYR A 9 18.325 9.386 25.058 1.00 54.20 N
ATOM 2 CA TYR A 9 17.558 10.206 25.993 1.00 50.01 C
ATOM 3 C TYR A 9 16.124 9.703 26.132 1.00 48.90 C
ATOM 4 O TYR A 9 15.613 9.004 25.256 1.00 52.23 O
ATOM 5 CB TYR A 9 17.578 11.676 25.562 1.00 42.58 C
ATOM 6 CG TYR A 9 18.954 12.291 25.645 1.00 44.88 C
ATOM 7 CD1 TYR A 9 19.464 12.731 26.861 1.00 50.24 C
ATOM 8 CD2 TYR A 9 19.754 12.408 24.517 1.00 42.55 C
ATOM 9 CE1 TYR A 9 20.731 13.283 26.951 1.00 50.63 C
ATOM 10 CE2 TYR A 9 21.023 12.961 24.594 1.00 45.00 C
ATOM 11 CZ TYR A 9 21.507 13.397 25.815 1.00 50.86 C
ATOM 12 OH TYR A 9 22.772 13.945 25.905 1.00 48.40 O
ATOM 13 N ASP A 10 15.481 10.047 27.243 1.00 43.95 N
ATOM 14 CA ASP A 10 14.100 9.629 27.476 1.00 40.73 C
ATOM 15 C ASP A 10 13.118 10.572 26.770 1.00 40.47 C
ATOM 16 O ASP A 10 12.990 11.748 27.127 1.00 31.23 O
ATOM 17 CB ASP A 10 13.806 9.570 28.974 1.00 42.27 C
ATOM 18 CG ASP A 10 12.341 9.321 29.270 1.00 43.05 C
ATOM 19 OD1 ASP A 10 11.912 9.611 30.401 1.00 48.72 O
ATOM 20 OD2 ASP A 10 11.614 8.842 28.377 1.00 47.27 O
ATOM 21 N ASN A 11 12.430 10.044 25.765 1.00 37.59 N
ATOM 22 CA ASN A 11 11.527 10.844 24.952 1.00 38.79 C
ATOM 23 C ASN A 11 10.349 11.402 25.724 1.00 32.82 C
ATOM 24 O ASN A 11 9.975 12.553 25.528 1.00 31.11 O
ATOM 25 CB ASN A 11 11.042 10.046 23.747 1.00 35.36 C
ATOM 26 CG ASN A 11 12.134 9.846 22.723 1.00 39.11 C
ATOM 27 OD1 ASN A 11 13.015 10.694 22.571 1.00 39.64 O
ATOM 28 ND2 ASN A 11 12.091 8.722 22.018 1.00 35.48 N
ATOM 29 N ARG A 12 9.769 10.589 26.602 1.00 32.44 N
ATOM 30 CA ARG A 12 8.623 11.033 27.386 1.00 32.22 C
ATOM 31 C ARG A 12 8.974 12.292 28.154 1.00 29.11 C
ATOM 32 O ARG A 12 8.203 13.252 28.181 1.00 27.13 O
ATOM 33 CB ARG A 12 8.156 9.949 28.358 1.00 36.67 C
ATOM 34 CG ARG A 12 7.110 10.450 29.327 1.00 41.36 C
ATOM 35 CD ARG A 12 6.453 9.319 30.099 1.00 51.74 C
ATOM 36 NE ARG A 12 5.363 9.822 30.930 1.00 57.66 N
ATOM 37 CZ ARG A 12 5.479 10.118 32.221 1.00 66.03 C
ATOM 38 NH1 ARG A 12 4.431 10.578 32.894 1.00 70.26 N
ATOM 39 NH2 ARG A 12 6.639 9.947 32.842 1.00 65.24 N
ATOM 40 N GLU A 13 10.151 12.279 28.767 1.00 26.31 N
ATOM 41 CA GLU A 13 10.652 13.420 29.513 1.00 30.77 C
ATOM 42 C GLU A 13 10.870 14.629 28.610 1.00 26.40 C
ATOM 43 O GLU A 13 10.536 15.746 28.988 1.00 24.11 O
ATOM 44 CB GLU A 13 11.953 13.065 30.236 1.00 29.71 C
ATOM 45 CG GLU A 13 12.396 14.116 31.239 1.00 41.51 C
ATOM 46 CD GLU A 13 13.795 13.868 31.784 1.00 51.52 C
ATOM 47 OE1 GLU A 13 14.493 14.857 32.100 1.00 52.35 O
ATOM 48 OE2 GLU A 13 14.200 12.689 31.888 1.00 55.97 O
ATOM 49 N ILE A 14 11.438 14.416 27.424 1.00 24.37 N
ATOM 50 CA ILE A 14 11.671 15.537 26.518 1.00 25.68 C
ATOM 51 C ILE A 14 10.339 16.210 26.176 1.00 21.82 C
ATOM 52 O ILE A 14 10.239 17.431 26.162 1.00 22.38 O
ATOM 53 CB ILE A 14 12.378 15.117 25.215 1.00 24.63 C
ATOM 54 CG1 ILE A 14 13.791 14.615 25.508 1.00 31.03 C
ATOM 55 CG2 ILE A 14 12.472 16.298 24.247 1.00 22.67 C
ATOM 56 CD1 ILE A 14 14.544 14.164 24.257 1.00 32.18 C
ATOM 57 N VAL A 15 9.326 15.393 25.912 1.00 22.00 N
ATOM 58 CA VAL A 15 7.998 15.878 25.560 1.00 23.25 C
ATOM 59 C VAL A 15 7.325 16.626 26.713 1.00 23.27 C
ATOM 60 O VAL A 15 6.832 17.738 26.529 1.00 19.28 O
ATOM 61 CB VAL A 15 7.102 14.716 25.078 1.00 20.97 C
ATOM 62 CG1 VAL A 15 5.622 15.113 25.077 1.00 19.33 C
ATOM 63 CG2 VAL A 15 7.531 14.270 23.686 1.00 19.27 C
ATOM 64 N MET A 16 7.302 16.018 27.896 1.00 20.58 N
ATOM 65 CA MET A 16 6.642 16.627 29.049 1.00 24.46 C
ATOM 66 C MET A 16 7.270 17.959 29.403 1.00 23.62 C
ATOM 67 O MET A 16 6.561 18.929 29.673 1.00 23.16 O
ATOM 68 CB MET A 16 6.684 15.703 30.269 1.00 26.92 C
ATOM 69 CG MET A 16 6.128 14.311 30.012 1.00 32.50 C
ATOM 70 SD MET A 16 4.363 14.280 29.638 1.00 49.96 S
ATOM 71 CE MET A 16 4.309 12.815 28.602 1.00 43.92 C
ATOM 72 N LYS A 17 8.599 18.017 29.402 1.00 22.76 N
ATOM 73 CA LYS A 17 9.268 19.276 29.714 1.00 24.19 C
ATOM 74 C LYS A 17 8.974 20.330 28.660 1.00 20.67 C
ATOM 75 O LYS A 17 8.813 21.500 28.996 1.00 19.98 O
ATOM 76 CB LYS A 17 10.783 19.101 29.860 1.00 26.07 C
ATOM 77 CG LYS A 17 11.221 18.268 31.060 1.00 28.73 C
ATOM 78 CD LYS A 17 12.743 18.313 31.199 1.00 37.71 C
ATOM 79 CE LYS A 17 13.204 17.764 32.540 1.00 45.07 C
ATOM 80 NZ LYS A 17 12.679 18.581 33.669 1.00 54.90 N
ATOM 81 N TYR A 18 8.923 19.927 27.389 1.00 19.09 N
ATOM 82 CA TYR A 18 8.623 20.887 26.324 1.00 22.17 C
ATOM 83 C TYR A 18 7.222 21.463 26.526 1.00 19.03 C
ATOM 84 O TYR A 18 7.025 22.674 26.539 1.00 19.74 O
ATOM 85 CB TYR A 18 8.727 20.261 24.921 1.00 19.20 C
ATOM 86 CG TYR A 18 8.939 21.310 23.836 1.00 21.47 C
ATOM 87 CD1 TYR A 18 10.220 21.717 23.494 1.00 21.98 C
ATOM 88 CD2 TYR A 18 7.865 21.908 23.174 1.00 20.32 C
ATOM 89 CE1 TYR A 18 10.440 22.678 22.524 1.00 22.12 C
ATOM 90 CE2 TYR A 18 8.078 22.887 22.188 1.00 21.18 C
ATOM 91 CZ TYR A 18 9.380 23.260 21.876 1.00 23.88 C
ATOM 92 OH TYR A 18 9.657 24.210 20.920 1.00 23.17 O
ATOM 93 N ILE A 19 6.252 20.572 26.669 1.00 20.05 N
ATOM 94 CA ILE A 19 4.866 20.967 26.860 1.00 17.44 C
ATOM 95 C ILE A 19 4.701 21.893 28.065 1.00 19.30 C
ATOM 96 O ILE A 19 4.034 22.920 27.973 1.00 18.11 O
ATOM 97 CB ILE A 19 3.955 19.732 26.996 1.00 20.26 C
ATOM 98 CG1 ILE A 19 3.830 19.039 25.645 1.00 20.07 C
ATOM 99 CG2 ILE A 19 2.573 20.129 27.527 1.00 19.06 C
ATOM 100 CD1 ILE A 19 3.039 17.727 25.705 1.00 21.97 C
ATOM 101 N HIS A 20 5.329 21.550 29.185 1.00 18.62 N
ATOM 102 CA HIS A 20 5.214 22.394 30.371 1.00 23.22 C
ATOM 103 C HIS A 20 5.692 23.814 30.081 1.00 22.48 C
ATOM 104 O HIS A 20 5.079 24.791 30.512 1.00 20.22 O
ATOM 105 CB HIS A 20 6.008 21.814 31.542 1.00 22.27 C
ATOM 106 CG HIS A 20 5.905 22.632 32.791 1.00 30.91 C
ATOM 107 ND1 HIS A 20 6.732 23.703 33.054 1.00 34.56 N
ATOM 108 CD2 HIS A 20 5.054 22.549 33.847 1.00 33.09 C
ATOM 109 CE1 HIS A 20 6.406 24.237 34.218 1.00 35.43 C
ATOM 110 NE2 HIS A 20 5.391 23.556 34.717 1.00 35.11 N
ATOM 111 N TYR A 21 6.796 23.920 29.346 1.00 19.80 N
ATOM 112 CA TYR A 21 7.368 25.211 28.983 1.00 21.96 C
ATOM 113 C TYR A 21 6.445 26.017 28.068 1.00 20.09 C
ATOM 114 O TYR A 21 6.223 27.208 28.292 1.00 19.17 O
ATOM 115 CB TYR A 21 8.735 25.004 28.315 1.00 19.55 C
ATOM 116 CG TYR A 21 9.386 26.267 27.814 1.00 23.60 C
ATOM 117 CD1 TYR A 21 9.815 27.252 28.700 1.00 24.14 C
ATOM 118 CD2 TYR A 21 9.605 26.461 26.452 1.00 21.65 C
ATOM 119 CE1 TYR A 21 10.429 28.406 28.242 1.00 25.52 C
ATOM 120 CE2 TYR A 21 10.222 27.604 25.981 1.00 20.35 C
ATOM 121 CZ TYR A 21 10.634 28.570 26.880 1.00 27.92 C
ATOM 122 OH TYR A 21 11.246 29.703 26.412 1.00 24.89 O
ATOM 123 N LYS A 22 5.899 25.382 27.033 1.00 18.16 N
ATOM 124 CA LYS A 22 5.002 26.113 26.126 1.00 18.66 C
ATOM 125 C LYS A 22 3.729 26.616 26.820 1.00 19.23 C
ATOM 126 O LYS A 22 3.251 27.720 26.548 1.00 15.68 O
ATOM 127 CB LYS A 22 4.624 25.266 24.905 1.00 16.33 C
ATOM 128 CG LYS A 22 5.808 24.720 24.106 1.00 20.39 C
ATOM 129 CD LYS A 22 6.938 25.757 23.943 1.00 18.87 C
ATOM 130 CE LYS A 22 6.573 26.843 22.938 1.00 19.64 C
ATOM 131 NZ LYS A 22 7.706 27.818 22.784 1.00 19.08 N
ATOM 132 N LEU A 23 3.170 25.795 27.704 1.00 15.93 N
ATOM 133 CA LEU A 23 1.966 26.172 28.432 1.00 17.01 C
ATOM 134 C LEU A 23 2.262 27.324 29.395 1.00 20.88 C
ATOM 135 O LEU A 23 1.486 28.276 29.503 1.00 16.73 O
ATOM 136 CB LEU A 23 1.392 24.962 29.185 1.00 19.10 C
ATOM 137 CG LEU A 23 0.666 23.901 28.333 1.00 19.12 C
ATOM 138 CD1 LEU A 23 0.311 22.661 29.165 1.00 18.92 C
ATOM 139 CD2 LEU A 23 -0.598 24.474 27.664 1.00 17.98 C
ATOM 140 N SER A 24 3.397 27.243 30.086 1.00 18.91 N
ATOM 141 CA SER A 24 3.788 28.295 31.017 1.00 19.04 C
ATOM 142 C SER A 24 3.924 29.658 30.336 1.00 22.76 C
ATOM 143 O SER A 24 3.559 30.686 30.912 1.00 22.23 O
ATOM 144 CB SER A 24 5.094 27.932 31.723 1.00 25.63 C
ATOM 145 OG SER A 24 5.218 28.681 32.915 1.00 34.56 O
ATOM 146 N GLN A 25 4.448 29.669 29.111 1.00 20.80 N
ATOM 147 CA GLN A 25 4.588 30.918 28.365 1.00 20.92 C
ATOM 148 C GLN A 25 3.238 31.566 28.113 1.00 23.36 C
ATOM 149 O GLN A 25 3.157 32.777 27.933 1.00 21.43 O
ATOM 150 CB GLN A 25 5.273 30.693 27.010 1.00 21.26 C
ATOM 151 CG GLN A 25 6.730 30.285 27.083 1.00 24.28 C
ATOM 152 CD GLN A 25 7.327 30.058 25.704 1.00 27.35 C
ATOM 153 OE1 GLN A 25 6.804 29.268 24.915 1.00 22.76 O
ATOM 154 NE2 GLN A 25 8.426 30.748 25.409 1.00 20.83 N
ATOM 155 N ARG A 26 2.181 30.758 28.072 1.00 19.43 N
ATOM 156 CA ARG A 26 0.841 31.273 27.794 1.00 23.14 C
ATOM 157 C ARG A 26 0.021 31.504 29.057 1.00 23.84 C
ATOM 158 O ARG A 26 -1.167 31.780 28.976 1.00 24.73 O
ATOM 159 CB ARG A 26 0.078 30.317 26.879 1.00 26.14 C
ATOM 160 CG ARG A 26 0.667 30.212 25.497 1.00 30.51 C
ATOM 161 CD ARG A 26 0.494 31.516 24.747 1.00 36.89 C
ATOM 162 NE ARG A 26 1.686 31.831 23.965 1.00 50.63 N
ATOM 163 CZ ARG A 26 1.751 31.812 22.637 1.00 54.66 C
ATOM 164 NH1 ARG A 26 2.895 32.120 22.034 1.00 45.48 N
ATOM 165 NH2 ARG A 26 0.680 31.490 21.917 1.00 46.99 N
ATOM 166 N GLY A 27 0.651 31.373 30.217 1.00 22.25 N
ATOM 167 CA GLY A 27 -0.029 31.619 31.475 1.00 24.68 C
ATOM 168 C GLY A 27 -0.738 30.412 32.058 1.00 23.15 C
ATOM 169 O GLY A 27 -1.628 30.556 32.903 1.00 23.45 O
ATOM 170 N TYR A 28 -0.346 29.219 31.621 1.00 21.37 N
ATOM 171 CA TYR A 28 -0.932 27.988 32.150 1.00 22.59 C
ATOM 172 C TYR A 28 0.131 27.163 32.852 1.00 25.66 C
ATOM 173 O TYR A 28 1.223 26.956 32.317 1.00 22.64 O
ATOM 174 CB TYR A 28 -1.561 27.142 31.037 1.00 18.33 C
ATOM 175 CG TYR A 28 -2.568 27.874 30.181 1.00 24.90 C
ATOM 176 CD1 TYR A 28 -3.718 28.432 30.744 1.00 23.60 C
ATOM 177 CD2 TYR A 28 -2.382 27.999 28.807 1.00 22.36 C
ATOM 178 CE1 TYR A 28 -4.658 29.107 29.952 1.00 25.46 C
ATOM 179 CE2 TYR A 28 -3.312 28.669 28.009 1.00 25.05 C
ATOM 180 CZ TYR A 28 -4.447 29.218 28.588 1.00 26.04 C
ATOM 181 OH TYR A 28 -5.367 29.877 27.804 1.00 26.58 O
ATOM 182 N GLU A 29 -0.189 26.674 34.042 1.00 22.35 N
ATOM 183 CA GLU A 29 0.755 25.840 34.783 1.00 25.14 C
ATOM 184 C GLU A 29 0.289 24.392 34.747 1.00 28.04 C
ATOM 185 O GLU A 29 -0.726 24.035 35.350 1.00 26.85 O
ATOM 186 CB GLU A 29 0.905 26.333 36.226 1.00 28.16 C
ATOM 187 CG GLU A 29 1.707 25.392 37.117 1.00 35.16 C
ATOM 188 CD GLU A 29 3.194 25.421 36.800 1.00 44.02 C
ATOM 189 OE1 GLU A 29 3.863 24.378 36.985 1.00 46.82 O
ATOM 190 OE2 GLU A 29 3.687 26.485 36.357 1.00 44.62 O
ATOM 191 N TRP A 30 1.034 23.553 34.036 1.00 28.93 N
ATOM 192 CA TRP A 30 0.617 22.178 33.828 1.00 32.32 C
ATOM 193 C TRP A 30 1.138 21.182 34.865 1.00 41.25 C
ATOM 194 O TRP A 30 2.294 21.240 35.275 1.00 45.46 O
ATOM 195 CB TRP A 30 1.017 21.701 32.435 1.00 31.46 C
ATOM 196 CG TRP A 30 0.393 20.386 32.122 1.00 33.35 C
ATOM 197 CD1 TRP A 30 1.027 19.188 31.954 1.00 33.29 C
ATOM 198 CD2 TRP A 30 -1.003 20.129 31.986 1.00 32.26 C
ATOM 199 NE1 TRP A 30 0.103 18.199 31.703 1.00 35.38 N
ATOM 200 CE2 TRP A 30 -1.150 18.752 31.719 1.00 28.89 C
ATOM 201 CE3 TRP A 30 -2.149 20.932 32.051 1.00 37.33 C
ATOM 202 CZ2 TRP A 30 -2.398 18.160 31.519 1.00 35.01 C
ATOM 203 CZ3 TRP A 30 -3.394 20.340 31.852 1.00 34.01 C
ATOM 204 CH2 TRP A 30 -3.506 18.968 31.592 1.00 33.47 C
ATOM 205 N ASP A 31 0.274 20.257 35.272 1.00 44.69 N
ATOM 206 CA ASP A 31 0.690 19.138 36.118 1.00 57.14 C
ATOM 207 C ASP A 31 0.113 17.811 35.640 1.00 56.31 C
ATOM 208 O ASP A 31 0.851 16.836 35.479 1.00 66.06 O
ATOM 209 CB ASP A 31 0.315 19.377 37.580 1.00 63.83 C
ATOM 210 CG ASP A 31 1.523 19.650 38.448 1.00 71.43 C
ATOM 211 OD1 ASP A 31 2.364 18.731 38.598 1.00 72.60 O
ATOM 212 OD2 ASP A 31 1.639 20.780 38.977 1.00 72.63 O
ATOM 213 N SER A 49 21.721 16.125 29.329 1.00 49.40 N
ATOM 214 CA SER A 49 20.271 16.009 29.183 1.00 46.62 C
ATOM 215 C SER A 49 19.578 17.349 29.396 1.00 43.09 C
ATOM 216 O SER A 49 18.679 17.715 28.639 1.00 43.36 O
ATOM 217 CB SER A 49 19.701 14.975 30.151 1.00 52.60 C
ATOM 218 OG SER A 49 18.285 14.921 30.048 1.00 49.85 O
ATOM 219 N GLU A 50 19.989 18.077 30.429 1.00 38.34 N
ATOM 220 CA GLU A 50 19.438 19.405 30.670 1.00 40.13 C
ATOM 221 C GLU A 50 19.705 20.345 29.490 1.00 39.98 C
ATOM 222 O GLU A 50 18.849 21.147 29.103 1.00 33.11 O
ATOM 223 CB GLU A 50 20.013 19.998 31.952 1.00 43.28 C
ATOM 224 CG GLU A 50 19.579 21.427 32.194 1.00 49.28 C
ATOM 225 CD GLU A 50 18.072 21.600 32.092 1.00 57.06 C
ATOM 226 OE1 GLU A 50 17.327 20.848 32.763 1.00 61.46 O
ATOM 227 OE2 GLU A 50 17.632 22.489 31.333 1.00 53.79 O
ATOM 228 N VAL A 51 20.900 20.242 28.919 1.00 32.95 N
ATOM 229 CA VAL A 51 21.266 21.079 27.790 1.00 33.23 C
ATOM 230 C VAL A 51 20.408 20.744 26.561 1.00 27.69 C
ATOM 231 O VAL A 51 20.117 21.615 25.750 1.00 28.13 O
ATOM 232 CB VAL A 51 22.786 20.991 27.467 1.00 32.68 C
ATOM 233 CG1 VAL A 51 23.150 19.611 26.943 1.00 34.15 C
ATOM 234 CG2 VAL A 51 23.183 22.068 26.472 1.00 32.76 C
ATOM 235 N VAL A 52 19.990 19.490 26.433 1.00 28.57 N
ATOM 236 CA VAL A 52 19.074 19.115 25.359 1.00 28.76 C
ATOM 237 C VAL A 52 17.739 19.866 25.474 1.00 30.88 C
ATOM 238 O VAL A 52 17.247 20.423 24.495 1.00 27.33 O
ATOM 239 CB VAL A 52 18.821 17.601 25.329 1.00 29.43 C
ATOM 240 CG1 VAL A 52 17.693 17.254 24.352 1.00 25.21 C
ATOM 241 CG2 VAL A 52 20.102 16.865 24.955 1.00 33.75 C
ATOM 242 N HIS A 53 17.164 19.898 26.673 1.00 28.29 N
ATOM 243 CA HIS A 53 15.872 20.555 26.871 1.00 27.32 C
ATOM 244 C HIS A 53 15.971 22.049 26.602 1.00 27.97 C
ATOM 245 O HIS A 53 15.073 22.645 25.995 1.00 26.37 O
ATOM 246 CB HIS A 53 15.345 20.322 28.294 1.00 27.37 C
ATOM 247 CG HIS A 53 15.218 18.880 28.666 1.00 29.93 C
ATOM 248 ND1 HIS A 53 14.387 18.004 27.997 1.00 27.42 N
ATOM 249 CD2 HIS A 53 15.807 18.156 29.653 1.00 32.58 C
ATOM 250 CE1 HIS A 53 14.482 16.805 28.544 1.00 30.46 C
ATOM 251 NE2 HIS A 53 15.332 16.870 29.550 1.00 31.93 N
ATOM 252 N LEU A 54 17.057 22.659 27.068 1.00 24.45 N
ATOM 253 CA LEU A 54 17.233 24.093 26.894 1.00 28.43 C
ATOM 254 C LEU A 54 17.464 24.443 25.434 1.00 27.33 C
ATOM 255 O LEU A 54 16.951 25.446 24.951 1.00 23.52 O
ATOM 256 CB LEU A 54 18.393 24.621 27.740 1.00 32.17 C
ATOM 257 CG LEU A 54 18.183 24.505 29.250 1.00 43.82 C
ATOM 258 CD1 LEU A 54 19.301 25.215 30.010 1.00 48.57 C
ATOM 259 CD2 LEU A 54 16.812 25.047 29.658 1.00 43.52 C
ATOM 260 N THR A 55 18.243 23.619 24.741 1.00 24.53 N
ATOM 261 CA THR A 55 18.546 23.872 23.335 1.00 24.31 C
ATOM 262 C THR A 55 17.284 23.691 22.503 1.00 23.75 C
ATOM 263 O THR A 55 17.004 24.477 21.603 1.00 24.15 O
ATOM 264 CB THR A 55 19.661 22.932 22.813 1.00 24.46 C
ATOM 265 OG1 THR A 55 20.857 23.124 23.583 1.00 23.51 O
ATOM 266 CG2 THR A 55 19.964 23.214 21.352 1.00 26.18 C
ATOM 267 N LEU A 56 16.511 22.655 22.813 1.00 20.87 N
ATOM 268 CA LEU A 56 15.260 22.417 22.097 1.00 21.53 C
ATOM 269 C LEU A 56 14.286 23.575 22.318 1.00 24.55 C
ATOM 270 O LEU A 56 13.662 24.055 21.368 1.00 24.76 O
ATOM 271 CB LEU A 56 14.648 21.075 22.510 1.00 20.51 C
ATOM 272 CG LEU A 56 13.369 20.588 21.838 1.00 25.46 C
ATOM 273 CD1 LEU A 56 13.461 20.620 20.313 1.00 20.35 C
ATOM 274 CD2 LEU A 56 13.062 19.177 22.333 1.00 23.22 C
ATOM 275 N ARG A 57 14.178 24.026 23.567 1.00 21.46 N
ATOM 276 CA ARG A 57 13.373 25.197 23.934 1.00 27.50 C
ATOM 277 C ARG A 57 13.690 26.408 23.075 1.00 23.62 C
ATOM 278 O ARG A 57 12.794 27.084 22.561 1.00 19.87 O
ATOM 279 CB ARG A 57 13.741 25.652 25.345 1.00 27.63 C
ATOM 280 CG ARG A 57 12.865 25.246 26.473 1.00 29.84 C
ATOM 281 CD ARG A 57 13.346 26.057 27.670 1.00 28.41 C
ATOM 282 NE ARG A 57 12.824 25.558 28.931 1.00 44.26 N
ATOM 283 CZ ARG A 57 12.998 26.168 30.097 1.00 42.69 C
ATOM 284 NH1 ARG A 57 12.479 25.645 31.200 1.00 50.25 N
ATOM 285 NH2 ARG A 57 13.680 27.308 30.156 1.00 39.96 N
ATOM 286 N GLN A 58 14.978 26.733 23.009 1.00 21.01 N
ATOM 287 CA AGLN A 58 15.385 27.944 22.312 0.50 24.18 C
ATOM 288 CA BGLN A 58 15.451 27.920 22.302 0.50 24.20 C
ATOM 289 C GLN A 58 15.145 27.810 20.813 1.00 19.92 C
ATOM 290 O GLN A 58 14.708 28.765 20.176 1.00 20.34 O
ATOM 291 CB AGLN A 58 16.843 28.313 22.611 0.50 25.01 C
ATOM 292 CB BGLN A 58 16.963 28.105 22.522 0.50 24.87 C
ATOM 293 CG AGLN A 58 17.014 29.773 23.040 0.50 28.96 C
ATOM 294 CG BGLN A 58 17.358 28.212 23.994 0.50 26.40 C
ATOM 295 CD AGLN A 58 16.867 30.754 21.894 0.50 31.63 C
ATOM 296 CD BGLN A 58 18.846 28.458 24.214 0.50 30.18 C
ATOM 297 OE1AGLN A 58 17.784 30.918 21.092 0.50 37.45 O
ATOM 298 OE1BGLN A 58 19.698 27.770 23.648 0.50 31.91 O
ATOM 299 NE2AGLN A 58 15.719 31.423 21.816 0.50 25.24 N
ATOM 300 NE2BGLN A 58 19.162 29.429 25.059 0.50 27.68 N
ATOM 301 N ALA A 59 15.399 26.629 20.259 1.00 19.84 N
ATOM 302 CA ALA A 59 15.183 26.422 18.833 1.00 20.59 C
ATOM 303 C ALA A 59 13.696 26.551 18.506 1.00 20.42 C
ATOM 304 O ALA A 59 13.333 27.056 17.452 1.00 18.99 O
ATOM 305 CB ALA A 59 15.723 25.059 18.386 1.00 18.02 C
ATOM 306 N GLY A 60 12.840 26.091 19.413 1.00 19.84 N
ATOM 307 CA GLY A 60 11.404 26.197 19.213 1.00 18.67 C
ATOM 308 C GLY A 60 10.919 27.637 19.264 1.00 19.43 C
ATOM 309 O GLY A 60 10.112 28.059 18.440 1.00 17.57 O
ATOM 310 N ASP A 61 11.410 28.395 20.240 1.00 19.56 N
ATOM 311 CA ASP A 61 11.115 29.825 20.311 1.00 21.00 C
ATOM 312 C ASP A 61 11.608 30.521 19.041 1.00 23.00 C
ATOM 313 O ASP A 61 10.928 31.382 18.492 1.00 20.86 O
ATOM 314 CB ASP A 61 11.784 30.456 21.539 1.00 21.63 C
ATOM 315 CG ASP A 61 11.082 30.095 22.844 1.00 24.67 C
ATOM 316 OD1 ASP A 61 9.844 29.918 22.836 1.00 22.67 O
ATOM 317 OD2 ASP A 61 11.769 30.004 23.884 1.00 22.59 O
ATOM 318 N ASP A 62 12.793 30.137 18.575 1.00 21.37 N
ATOM 319 CA ASP A 62 13.374 30.737 17.373 1.00 21.51 C
ATOM 320 C ASP A 62 12.560 30.399 16.128 1.00 22.19 C
ATOM 321 O ASP A 62 12.335 31.258 15.269 1.00 21.03 O
ATOM 322 CB ASP A 62 14.832 30.296 17.195 1.00 22.44 C
ATOM 323 CG ASP A 62 15.783 31.010 18.158 1.00 28.21 C
ATOM 324 OD1 ASP A 62 15.429 32.093 18.665 1.00 31.26 O
ATOM 325 OD2 ASP A 62 16.883 30.488 18.412 1.00 29.17 O
ATOM 326 N PHE A 63 12.123 29.146 16.033 1.00 18.30 N
ATOM 327 CA PHE A 63 11.245 28.719 14.941 1.00 20.23 C
ATOM 328 C PHE A 63 9.960 29.542 14.861 1.00 19.20 C
ATOM 329 O PHE A 63 9.547 29.956 13.777 1.00 20.42 O
ATOM 330 CB PHE A 63 10.872 27.236 15.082 1.00 18.86 C
ATOM 331 CG PHE A 63 9.739 26.812 14.180 1.00 20.29 C
ATOM 332 CD1 PHE A 63 9.979 26.452 12.856 1.00 19.55 C
ATOM 333 CD2 PHE A 63 8.437 26.780 14.653 1.00 17.86 C
ATOM 334 CE1 PHE A 63 8.934 26.070 12.017 1.00 17.50 C
ATOM 335 CE2 PHE A 63 7.385 26.395 13.826 1.00 18.90 C
ATOM 336 CZ PHE A 63 7.633 26.034 12.507 1.00 19.31 C
ATOM 337 N SER A 64 9.323 29.770 16.007 1.00 18.76 N
ATOM 338 CA SER A 64 8.012 30.419 16.026 1.00 21.21 C
ATOM 339 C SER A 64 8.148 31.910 15.765 1.00 19.91 C
ATOM 340 O SER A 64 7.233 32.549 15.267 1.00 23.60 O
ATOM 341 CB SER A 64 7.300 30.185 17.366 1.00 25.05 C
ATOM 342 OG SER A 64 7.982 30.837 18.432 1.00 28.23 O
ATOM 343 N ARG A 65 9.305 32.451 16.113 1.00 21.94 N
ATOM 344 CA ARG A 65 9.632 33.837 15.834 1.00 23.03 C
ATOM 345 C ARG A 65 9.874 34.029 14.338 1.00 22.05 C
ATOM 346 O ARG A 65 9.352 34.967 13.727 1.00 23.14 O
ATOM 347 CB ARG A 65 10.876 34.219 16.632 1.00 25.92 C
ATOM 348 CG ARG A 65 11.003 35.681 16.957 1.00 36.18 C
ATOM 349 CD ARG A 65 11.416 35.845 18.421 1.00 45.91 C
ATOM 350 NE ARG A 65 12.541 34.981 18.777 1.00 48.09 N
ATOM 351 CZ ARG A 65 12.629 34.300 19.916 1.00 43.88 C
ATOM 352 NH1 ARG A 65 11.648 34.368 20.812 1.00 44.33 N
ATOM 353 NH2 ARG A 65 13.691 33.537 20.151 1.00 34.27 N
ATOM 354 N ARG A 66 10.655 33.128 13.747 1.00 21.57 N
ATOM 355 CA ARG A 66 10.979 33.216 12.325 1.00 20.60 C
ATOM 356 C ARG A 66 9.746 32.985 11.461 1.00 21.28 C
ATOM 357 O ARG A 66 9.399 33.821 10.628 1.00 21.27 O
ATOM 358 CB ARG A 66 12.075 32.217 11.948 1.00 22.04 C
ATOM 359 CG ARG A 66 12.329 32.146 10.447 1.00 23.84 C
ATOM 360 CD ARG A 66 13.427 31.149 10.110 1.00 25.97 C
ATOM 361 NE ARG A 66 14.743 31.681 10.433 1.00 27.03 N
ATOM 362 CZ ARG A 66 15.878 31.017 10.254 1.00 28.55 C
ATOM 363 NH1 ARG A 66 15.855 29.782 9.769 1.00 24.83 N
ATOM 364 NH2 ARG A 66 17.033 31.586 10.568 1.00 28.83 N
ATOM 365 N TYR A 67 9.085 31.849 11.659 1.00 17.41 N
ATOM 366 CA TYR A 67 7.879 31.527 10.904 1.00 17.95 C
ATOM 367 C TYR A 67 6.654 32.095 11.630 1.00 21.80 C
ATOM 368 O TYR A 67 5.743 31.366 12.043 1.00 20.75 O
ATOM 369 CB TYR A 67 7.780 30.011 10.637 1.00 19.43 C
ATOM 370 CG TYR A 67 8.789 29.569 9.596 1.00 21.76 C
ATOM 371 CD1 TYR A 67 10.081 29.197 9.964 1.00 20.94 C
ATOM 372 CD2 TYR A 67 8.471 29.582 8.240 1.00 22.40 C
ATOM 373 CE1 TYR A 67 11.011 28.822 9.023 1.00 17.99 C
ATOM 374 CE2 TYR A 67 9.400 29.204 7.290 1.00 20.68 C
ATOM 375 CZ TYR A 67 10.674 28.831 7.687 1.00 21.28 C
ATOM 376 OH TYR A 67 11.615 28.452 6.747 1.00 18.68 O
ATOM 377 N ARG A 68 6.658 33.419 11.763 1.00 20.74 N
ATOM 378 CA ARG A 68 5.663 34.147 12.544 1.00 24.77 C
ATOM 379 C ARG A 68 4.232 33.923 12.066 1.00 25.69 C
ATOM 380 O ARG A 68 3.340 33.628 12.869 1.00 27.93 O
ATOM 381 CB ARG A 68 5.982 35.646 12.542 1.00 26.80 C
ATOM 382 CG ARG A 68 4.821 36.514 12.999 1.00 30.94 C
ATOM 383 CD ARG A 68 5.223 37.975 13.206 1.00 34.63 C
ATOM 384 NE ARG A 68 5.851 38.574 12.031 1.00 35.61 N
ATOM 385 CZ ARG A 68 5.207 38.855 10.904 1.00 38.17 C
ATOM 386 NH1 ARG A 68 3.913 38.575 10.796 1.00 39.83 N
ATOM 387 NH2 ARG A 68 5.855 39.410 9.884 1.00 28.32 N
ATOM 388 N ARG A 69 4.008 34.064 10.764 1.00 23.26 N
ATOM 389 CA ARG A 69 2.669 33.902 10.217 1.00 24.12 C
ATOM 390 C ARG A 69 2.204 32.444 10.291 1.00 28.72 C
ATOM 391 O ARG A 69 1.060 32.176 10.652 1.00 27.69 O
ATOM 392 CB ARG A 69 2.594 34.429 8.779 1.00 26.93 C
ATOM 393 CG ARG A 69 1.227 34.269 8.110 1.00 31.52 C
ATOM 394 CD ARG A 69 1.155 35.010 6.765 1.00 31.56 C
ATOM 395 NE ARG A 69 1.565 36.414 6.875 1.00 35.07 N
ATOM 396 CZ ARG A 69 1.821 37.206 5.834 1.00 33.49 C
ATOM 397 NH1 ARG A 69 1.707 36.737 4.596 1.00 33.57 N
ATOM 398 NH2 ARG A 69 2.199 38.464 6.026 1.00 30.68 N
ATOM 399 N ASP A 70 3.081 31.502 9.946 1.00 23.00 N
ATOM 400 CA ASP A 70 2.724 30.090 10.029 1.00 23.57 C
ATOM 401 C ASP A 70 2.354 29.720 11.468 1.00 24.49 C
ATOM 402 O ASP A 70 1.370 29.022 11.699 1.00 24.37 O
ATOM 403 CB ASP A 70 3.852 29.195 9.500 1.00 23.87 C
ATOM 404 CG ASP A 70 4.008 29.283 7.991 1.00 29.39 C
ATOM 405 OD1 ASP A 70 5.131 29.531 7.511 1.00 31.47 O
ATOM 406 OD2 ASP A 70 3.003 29.120 7.280 1.00 34.71 O
ATOM 407 N PHE A 71 3.142 30.196 12.428 1.00 22.88 N
ATOM 408 CA PHE A 71 2.861 29.962 13.842 1.00 23.09 C
ATOM 409 C PHE A 71 1.514 30.566 14.248 1.00 30.11 C
ATOM 410 O PHE A 71 0.666 29.881 14.823 1.00 27.33 O
ATOM 411 CB PHE A 71 3.977 30.529 14.724 1.00 22.42 C
ATOM 412 CG PHE A 71 3.791 30.253 16.195 1.00 23.11 C
ATOM 413 CD1 PHE A 71 4.000 28.983 16.709 1.00 24.41 C
ATOM 414 CD2 PHE A 71 3.403 31.262 17.060 1.00 27.84 C
ATOM 415 CE1 PHE A 71 3.833 28.727 18.057 1.00 24.51 C
ATOM 416 CE2 PHE A 71 3.232 31.011 18.415 1.00 32.61 C
ATOM 417 CZ PHE A 71 3.445 29.740 18.910 1.00 28.34 C
ATOM 418 N ALA A 72 1.324 31.845 13.932 1.00 27.42 N
ATOM 419 CA ALA A 72 0.105 32.562 14.297 1.00 31.24 C
ATOM 420 C ALA A 72 -1.129 31.872 13.753 1.00 31.85 C
ATOM 421 O ALA A 72 -2.148 31.789 14.429 1.00 36.76 O
ATOM 422 CB ALA A 72 0.156 34.006 13.793 1.00 31.99 C
ATOM 423 N GLU A 73 -1.030 31.372 12.529 1.00 26.94 N
ATOM 424 CA GLU A 73 -2.185 30.815 11.845 1.00 28.92 C
ATOM 425 C GLU A 73 -2.504 29.367 12.216 1.00 34.65 C
ATOM 426 O GLU A 73 -3.598 28.875 11.932 1.00 30.71 O
ATOM 427 CB GLU A 73 -1.991 30.935 10.333 1.00 29.43 C
ATOM 428 CG GLU A 73 -1.959 32.380 9.855 1.00 37.39 C
ATOM 429 CD GLU A 73 -1.919 32.506 8.345 1.00 41.46 C
ATOM 430 OE1 GLU A 73 -2.287 33.588 7.836 1.00 45.01 O
ATOM 431 OE2 GLU A 73 -1.521 31.531 7.670 1.00 40.85 O
ATOM 432 N MET A 74 -1.556 28.684 12.848 1.00 32.43 N
ATOM 433 CA MET A 74 -1.721 27.260 13.117 1.00 29.90 C
ATOM 434 C MET A 74 -2.902 27.004 14.051 1.00 29.14 C
ATOM 435 O MET A 74 -3.714 26.117 13.792 1.00 26.45 O
ATOM 436 CB MET A 74 -0.424 26.649 13.678 1.00 28.64 C
ATOM 437 CG MET A 74 -0.483 25.142 13.958 1.00 27.43 C
ATOM 438 SD MET A 74 -1.148 24.127 12.610 1.00 38.90 S
ATOM 439 CE MET A 74 0.267 24.045 11.528 1.00 35.19 C
ATOM 440 N SER A 75 -3.011 27.778 15.128 1.00 23.54 N
ATOM 441 CA SER A 75 -4.073 27.517 16.107 1.00 32.70 C
ATOM 442 C SER A 75 -5.479 27.612 15.495 1.00 32.87 C
ATOM 443 O SER A 75 -6.363 26.817 15.824 1.00 31.67 O
ATOM 444 CB SER A 75 -3.946 28.423 17.339 1.00 33.50 C
ATOM 445 OG SER A 75 -4.403 29.730 17.064 1.00 37.33 O
ATOM 446 N SER A 76 -5.670 28.568 14.589 1.00 29.30 N
ATOM 447 CA SER A 76 -6.962 28.760 13.925 1.00 28.02 C
ATOM 448 C SER A 76 -7.305 27.661 12.918 1.00 28.67 C
ATOM 449 O SER A 76 -8.427 27.592 12.434 1.00 31.88 O
ATOM 450 CB SER A 76 -6.998 30.117 13.218 1.00 35.11 C
ATOM 451 OG SER A 76 -6.205 30.090 12.041 1.00 37.42 O
ATOM 452 N GLN A 77 -6.351 26.797 12.600 1.00 26.07 N
ATOM 453 CA GLN A 77 -6.609 25.723 11.646 1.00 31.39 C
ATOM 454 C GLN A 77 -6.838 24.380 12.334 1.00 28.82 C
ATOM 455 O GLN A 77 -7.027 23.368 11.667 1.00 29.17 O
ATOM 456 CB GLN A 77 -5.440 25.591 10.667 1.00 30.81 C
ATOM 457 CG GLN A 77 -5.263 26.786 9.751 1.00 37.78 C
ATOM 458 CD GLN A 77 -4.044 26.643 8.855 1.00 52.59 C
ATOM 459 OE1 GLN A 77 -3.389 27.629 8.511 1.00 56.37 O
ATOM 460 NE2 GLN A 77 -3.727 25.405 8.483 1.00 51.94 N
ATOM 461 N LEU A 78 -6.795 24.367 13.663 1.00 23.39 N
ATOM 462 CA LEU A 78 -6.882 23.114 14.412 1.00 25.94 C
ATOM 463 C LEU A 78 -8.311 22.555 14.492 1.00 25.65 C
ATOM 464 O LEU A 78 -8.527 21.351 14.337 1.00 25.69 O
ATOM 465 CB LEU A 78 -6.327 23.295 15.828 1.00 25.73 C
ATOM 466 CG LEU A 78 -4.833 23.574 15.983 1.00 27.18 C
ATOM 467 CD1 LEU A 78 -4.455 23.547 17.453 1.00 24.81 C
ATOM 468 CD2 LEU A 78 -4.016 22.565 15.194 1.00 24.57 C
ATOM 469 N HIS A 79 -9.269 23.436 14.759 1.00 23.15 N
ATOM 470 CA HIS A 79 -10.661 23.044 14.994 1.00 27.46 C
ATOM 471 C HIS A 79 -10.777 21.870 15.975 1.00 25.76 C
ATOM 472 O HIS A 79 -11.484 20.898 15.715 1.00 26.25 O
ATOM 473 CB HIS A 79 -11.358 22.735 13.662 1.00 23.32 C
ATOM 474 CG HIS A 79 -11.109 23.771 12.609 1.00 25.48 C
ATOM 475 ND1 HIS A 79 -11.378 25.109 12.802 1.00 25.24 N
ATOM 476 CD2 HIS A 79 -10.582 23.671 11.363 1.00 25.63 C
ATOM 477 CE1 HIS A 79 -11.043 25.787 11.720 1.00 26.08 C
ATOM 478 NE2 HIS A 79 -10.553 24.937 10.834 1.00 28.86 N
ATOM 479 N LEU A 80 -10.086 21.961 17.107 1.00 24.45 N
ATOM 480 CA LEU A 80 -10.046 20.834 18.047 1.00 25.67 C
ATOM 481 C LEU A 80 -11.421 20.484 18.609 1.00 21.04 C
ATOM 482 O LEU A 80 -12.202 21.361 18.961 1.00 20.01 O
ATOM 483 CB LEU A 80 -9.097 21.108 19.217 1.00 24.51 C
ATOM 484 CG LEU A 80 -7.606 21.232 18.929 1.00 27.33 C
ATOM 485 CD1 LEU A 80 -6.837 21.317 20.244 1.00 29.67 C
ATOM 486 CD2 LEU A 80 -7.106 20.074 18.078 1.00 26.15 C
ATOM 487 N THR A 81 -11.699 19.188 18.679 1.00 21.36 N
ATOM 488 CA THR A 81 -12.827 18.681 19.439 1.00 22.98 C
ATOM 489 C THR A 81 -12.310 17.449 20.152 1.00 20.72 C
ATOM 490 O THR A 81 -11.272 16.898 19.767 1.00 20.21 O
ATOM 491 CB THR A 81 -14.022 18.307 18.536 1.00 19.57 C
ATOM 492 OG1 THR A 81 -13.706 17.127 17.786 1.00 24.42 O
ATOM 493 CG2 THR A 81 -14.348 19.442 17.588 1.00 22.40 C
ATOM 494 N PRO A 82 -13.012 17.010 21.203 1.00 22.82 N
ATOM 495 CA PRO A 82 -12.478 15.857 21.935 1.00 19.38 C
ATOM 496 C PRO A 82 -12.228 14.649 21.021 1.00 20.91 C
ATOM 497 O PRO A 82 -11.225 13.962 21.179 1.00 20.92 O
ATOM 498 CB PRO A 82 -13.571 15.566 22.963 1.00 20.61 C
ATOM 499 CG PRO A 82 -14.208 16.920 23.207 1.00 21.69 C
ATOM 500 CD PRO A 82 -14.200 17.595 21.858 1.00 22.21 C
ATOM 501 N PHE A 83 -13.112 14.419 20.057 1.00 19.81 N
ATOM 502 CA PHE A 83 -13.037 13.218 19.232 1.00 21.52 C
ATOM 503 C PHE A 83 -12.190 13.370 17.965 1.00 23.18 C
ATOM 504 O PHE A 83 -11.764 12.367 17.398 1.00 23.87 O
ATOM 505 CB PHE A 83 -14.446 12.721 18.861 1.00 20.68 C
ATOM 506 CG PHE A 83 -15.282 12.296 20.050 1.00 20.85 C
ATOM 507 CD1 PHE A 83 -16.631 12.600 20.109 1.00 21.17 C
ATOM 508 CD2 PHE A 83 -14.717 11.588 21.101 1.00 22.70 C
ATOM 509 CE1 PHE A 83 -17.411 12.201 21.195 1.00 22.45 C
ATOM 510 CE2 PHE A 83 -15.486 11.196 22.192 1.00 21.56 C
ATOM 511 CZ PHE A 83 -16.834 11.511 22.236 1.00 21.74 C
ATOM 512 N THR A 84 -11.949 14.604 17.511 1.00 21.63 N
ATOM 513 CA THR A 84 -11.114 14.795 16.316 1.00 23.71 C
ATOM 514 C THR A 84 -9.641 15.135 16.596 1.00 22.97 C
ATOM 515 O THR A 84 -8.818 15.111 15.689 1.00 19.70 O
ATOM 516 CB THR A 84 -11.686 15.860 15.353 1.00 22.71 C
ATOM 517 OG1 THR A 84 -11.719 17.134 16.004 1.00 19.95 O
ATOM 518 CG2 THR A 84 -13.102 15.481 14.902 1.00 22.88 C
ATOM 519 N ALA A 85 -9.306 15.450 17.841 1.00 19.89 N
ATOM 520 CA ALA A 85 -7.950 15.924 18.136 1.00 21.61 C
ATOM 521 C ALA A 85 -6.856 14.945 17.714 1.00 22.92 C
ATOM 522 O ALA A 85 -5.831 15.351 17.182 1.00 18.54 O
ATOM 523 CB ALA A 85 -7.803 16.279 19.601 1.00 18.87 C
ATOM 524 N ARG A 86 -7.073 13.659 17.955 1.00 19.46 N
ATOM 525 CA ARG A 86 -6.061 12.663 17.628 1.00 24.36 C
ATOM 526 C ARG A 86 -5.775 12.638 16.127 1.00 23.27 C
ATOM 527 O ARG A 86 -4.621 12.525 15.701 1.00 22.93 O
ATOM 528 CB ARG A 86 -6.493 11.271 18.108 1.00 24.24 C
ATOM 529 CG ARG A 86 -5.419 10.190 17.918 1.00 30.44 C
ATOM 530 CD ARG A 86 -5.977 8.790 18.177 1.00 39.69 C
ATOM 531 NE ARG A 86 -5.796 8.359 19.561 1.00 52.88 N
ATOM 532 CZ ARG A 86 -4.931 7.421 19.945 1.00 56.20 C
ATOM 533 NH1 ARG A 86 -4.172 6.811 19.044 1.00 57.76 N
ATOM 534 NH2 ARG A 86 -4.822 7.090 21.228 1.00 51.40 N
ATOM 535 N GLY A 87 -6.835 12.742 15.335 1.00 21.52 N
ATOM 536 CA GLY A 87 -6.724 12.726 13.891 1.00 25.12 C
ATOM 537 C GLY A 87 -6.159 14.021 13.336 1.00 24.53 C
ATOM 538 O GLY A 87 -5.472 14.013 12.315 1.00 23.75 O
ATOM 539 N ARG A 88 -6.441 15.138 14.003 1.00 21.23 N
ATOM 540 CA ARG A 88 -5.869 16.413 13.586 1.00 18.97 C
ATOM 541 C ARG A 88 -4.358 16.357 13.777 1.00 21.48 C
ATOM 542 O ARG A 88 -3.590 16.724 12.893 1.00 21.45 O
ATOM 543 CB ARG A 88 -6.458 17.571 14.391 1.00 24.15 C
ATOM 544 CG ARG A 88 -7.945 17.787 14.163 1.00 29.22 C
ATOM 545 CD ARG A 88 -8.244 18.124 12.705 1.00 33.06 C
ATOM 546 NE ARG A 88 -7.604 19.371 12.281 1.00 28.75 N
ATOM 547 CZ ARG A 88 -6.839 19.487 11.202 1.00 32.79 C
ATOM 548 NH1 ARG A 88 -6.619 18.434 10.427 1.00 33.36 N
ATOM 549 NH2 ARG A 88 -6.308 20.662 10.887 1.00 36.86 N
ATOM 550 N PHE A 89 -3.938 15.894 14.945 1.00 19.36 N
ATOM 551 CA PHE A 89 -2.520 15.708 15.219 1.00 22.30 C
ATOM 552 C PHE A 89 -1.861 14.825 14.155 1.00 23.66 C
ATOM 553 O PHE A 89 -0.819 15.181 13.603 1.00 21.08 O
ATOM 554 CB PHE A 89 -2.339 15.106 16.611 1.00 21.40 C
ATOM 555 CG PHE A 89 -0.905 14.883 17.003 1.00 25.93 C
ATOM 556 CD1 PHE A 89 -0.215 15.838 17.735 1.00 22.44 C
ATOM 557 CD2 PHE A 89 -0.256 13.708 16.661 1.00 21.22 C
ATOM 558 CE1 PHE A 89 1.104 15.627 18.110 1.00 23.23 C
ATOM 559 CE2 PHE A 89 1.059 13.491 17.031 1.00 24.99 C
ATOM 560 CZ PHE A 89 1.740 14.453 17.763 1.00 20.66 C
ATOM 561 N ALA A 90 -2.471 13.677 13.863 1.00 22.78 N
ATOM 562 CA ALA A 90 -1.891 12.738 12.901 1.00 25.10 C
ATOM 563 C ALA A 90 -1.780 13.352 11.513 1.00 23.66 C
ATOM 564 O ALA A 90 -0.816 13.103 10.802 1.00 27.78 O
ATOM 565 CB ALA A 90 -2.705 11.428 12.841 1.00 25.09 C
ATOM 566 N THR A 91 -2.772 14.149 11.136 1.00 23.02 N
ATOM 567 CA THR A 91 -2.806 14.775 9.816 1.00 25.83 C
ATOM 568 C THR A 91 -1.705 15.815 9.617 1.00 25.87 C
ATOM 569 O THR A 91 -1.016 15.831 8.593 1.00 25.63 O
ATOM 570 CB THR A 91 -4.167 15.448 9.569 1.00 26.34 C
ATOM 571 OG1 THR A 91 -5.171 14.439 9.435 1.00 26.86 O
ATOM 572 CG2 THR A 91 -4.136 16.301 8.304 1.00 27.80 C
ATOM 573 N VAL A 92 -1.546 16.697 10.591 1.00 24.16 N
ATOM 574 CA VAL A 92 -0.563 17.765 10.464 1.00 22.65 C
ATOM 575 C VAL A 92 0.845 17.179 10.484 1.00 26.01 C
ATOM 576 O VAL A 92 1.711 17.590 9.700 1.00 22.66 O
ATOM 577 CB VAL A 92 -0.722 18.829 11.568 1.00 25.01 C
ATOM 578 CG1 VAL A 92 0.370 19.896 11.439 1.00 21.38 C
ATOM 579 CG2 VAL A 92 -2.111 19.468 11.488 1.00 19.81 C
ATOM 580 N VAL A 93 1.059 16.200 11.365 1.00 21.44 N
ATOM 581 CA VAL A 93 2.366 15.569 11.499 1.00 25.07 C
ATOM 582 C VAL A 93 2.775 14.770 10.256 1.00 25.31 C
ATOM 583 O VAL A 93 3.952 14.734 9.904 1.00 25.94 O
ATOM 584 CB VAL A 93 2.466 14.702 12.781 1.00 25.21 C
ATOM 585 CG1 VAL A 93 3.703 13.848 12.738 1.00 25.54 C
ATOM 586 CG2 VAL A 93 2.488 15.595 14.028 1.00 22.38 C
ATOM 587 N GLU A 94 1.814 14.139 9.588 1.00 25.38 N
ATOM 588 CA GLU A 94 2.108 13.459 8.328 1.00 27.02 C
ATOM 589 C GLU A 94 2.579 14.467 7.290 1.00 27.16 C
ATOM 590 O GLU A 94 3.549 14.226 6.564 1.00 25.44 O
ATOM 591 CB GLU A 94 0.887 12.695 7.801 1.00 29.19 C
ATOM 592 CG GLU A 94 1.175 11.830 6.565 1.00 31.61 C
ATOM 593 CD GLU A 94 1.276 12.637 5.271 1.00 35.17 C
ATOM 594 OE1 GLU A 94 0.572 13.660 5.137 1.00 34.66 O
ATOM 595 OE2 GLU A 94 2.058 12.247 4.379 1.00 37.18 O
ATOM 596 N GLU A 95 1.891 15.599 7.218 1.00 24.63 N
ATOM 597 CA GLU A 95 2.269 16.628 6.265 1.00 30.55 C
ATOM 598 C GLU A 95 3.655 17.176 6.582 1.00 26.66 C
ATOM 599 O GLU A 95 4.464 17.389 5.690 1.00 24.93 O
ATOM 600 CB GLU A 95 1.246 17.762 6.233 1.00 27.39 C
ATOM 601 CG GLU A 95 1.587 18.837 5.202 1.00 34.36 C
ATOM 602 CD GLU A 95 0.705 20.063 5.323 1.00 42.76 C
ATOM 603 OE1 GLU A 95 0.940 21.055 4.594 1.00 41.29 O
ATOM 604 OE2 GLU A 95 -0.221 20.036 6.158 1.00 45.55 O
ATOM 605 N LEU A 96 3.926 17.391 7.862 1.00 23.90 N
ATOM 606 CA LEU A 96 5.186 17.987 8.284 1.00 23.90 C
ATOM 607 C LEU A 96 6.377 17.155 7.833 1.00 25.26 C
ATOM 608 O LEU A 96 7.381 17.700 7.379 1.00 26.79 O
ATOM 609 CB LEU A 96 5.206 18.135 9.806 1.00 19.64 C
ATOM 610 CG LEU A 96 6.477 18.649 10.464 1.00 22.68 C
ATOM 611 CD1 LEU A 96 6.903 20.001 9.873 1.00 19.16 C
ATOM 612 CD2 LEU A 96 6.267 18.751 11.977 1.00 19.04 C
ATOM 613 N PHE A 97 6.258 15.835 7.957 1.00 24.66 N
ATOM 614 CA PHE A 97 7.365 14.930 7.686 1.00 25.26 C
ATOM 615 C PHE A 97 7.247 14.203 6.344 1.00 27.29 C
ATOM 616 O PHE A 97 8.003 13.276 6.067 1.00 27.88 O
ATOM 617 CB PHE A 97 7.497 13.901 8.812 1.00 25.19 C
ATOM 618 CG PHE A 97 7.978 14.480 10.112 1.00 25.43 C
ATOM 619 CD1 PHE A 97 7.121 14.587 11.200 1.00 22.81 C
ATOM 620 CD2 PHE A 97 9.289 14.922 10.246 1.00 20.70 C
ATOM 621 CE1 PHE A 97 7.564 15.124 12.409 1.00 20.93 C
ATOM 622 CE2 PHE A 97 9.739 15.458 11.450 1.00 23.44 C
ATOM 623 CZ PHE A 97 8.874 15.560 12.532 1.00 20.60 C
ATOM 624 N ARG A 98 6.315 14.633 5.508 1.00 26.39 N
ATOM 625 CA ARG A 98 6.060 13.945 4.246 1.00 29.80 C
ATOM 626 C ARG A 98 7.328 13.734 3.408 1.00 31.35 C
ATOM 627 O ARG A 98 7.529 12.665 2.842 1.00 32.61 O
ATOM 628 CB ARG A 98 5.006 14.696 3.429 1.00 30.65 C
ATOM 629 CG ARG A 98 4.643 13.994 2.128 1.00 39.75 C
ATOM 630 CD ARG A 98 3.473 14.671 1.447 1.00 39.43 C
ATOM 631 NE ARG A 98 2.250 14.568 2.239 1.00 42.86 N
ATOM 632 CZ ARG A 98 1.224 15.406 2.130 1.00 44.07 C
ATOM 633 NH1 ARG A 98 1.286 16.410 1.266 1.00 45.32 N
ATOM 634 NH2 ARG A 98 0.145 15.249 2.892 1.00 38.16 N
ATOM 635 N ASP A 99 8.183 14.751 3.340 1.00 28.45 N
ATOM 636 CA ASP A 99 9.390 14.681 2.512 1.00 33.53 C
ATOM 637 C ASP A 99 10.612 14.197 3.283 1.00 30.55 C
ATOM 638 O ASP A 99 11.737 14.327 2.812 1.00 32.21 O
ATOM 639 CB ASP A 99 9.695 16.046 1.886 1.00 33.52 C
ATOM 640 CG ASP A 99 8.627 16.484 0.906 1.00 39.16 C
ATOM 641 OD1 ASP A 99 7.829 15.623 0.476 1.00 45.19 O
ATOM 642 OD2 ASP A 99 8.582 17.686 0.569 1.00 46.82 O
ATOM 643 N GLY A 100 10.394 13.656 4.475 1.00 28.62 N
ATOM 644 CA GLY A 100 11.495 13.126 5.253 1.00 27.84 C
ATOM 645 C GLY A 100 11.764 13.922 6.513 1.00 28.89 C
ATOM 646 O GLY A 100 11.148 14.959 6.760 1.00 23.86 O
ATOM 647 N VAL A 101 12.707 13.430 7.306 1.00 28.41 N
ATOM 648 CA VAL A 101 12.986 13.987 8.617 1.00 28.17 C
ATOM 649 C VAL A 101 14.255 14.814 8.603 1.00 24.96 C
ATOM 650 O VAL A 101 15.208 14.480 7.913 1.00 29.95 O
ATOM 651 CB VAL A 101 13.164 12.860 9.657 1.00 25.60 C
ATOM 652 CG1 VAL A 101 13.592 13.437 11.006 1.00 23.02 C
ATOM 653 CG2 VAL A 101 11.889 12.059 9.790 1.00 26.90 C
ATOM 654 N ASN A 102 14.256 15.903 9.364 1.00 27.14 N
ATOM 655 CA ASN A 102 15.472 16.645 9.658 1.00 21.01 C
ATOM 656 C ASN A 102 15.285 17.399 10.967 1.00 21.54 C
ATOM 657 O ASN A 102 14.173 17.437 11.500 1.00 20.96 O
ATOM 658 CB ASN A 102 15.862 17.579 8.503 1.00 25.97 C
ATOM 659 CG ASN A 102 14.787 18.590 8.175 1.00 26.53 C
ATOM 660 OD1 ASN A 102 14.236 19.241 9.065 1.00 24.39 O