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5b6v.pdb
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HEADER PROTON TRANSPORT 02-JUN-16 5B6V
TITLE A THREE DIMENSIONAL MOVIE OF STRUCTURAL CHANGES IN BACTERIORHODOPSIN:
TITLE 2 RESTING STATE STRUCTURE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: BACTERIORHODOPSIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: UNP RESIDUES 14-261;
COMPND 5 SYNONYM: BR,BACTERIOOPSIN,BO
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HALOBACTERIUM SALINARUM (STRAIN ATCC 700922 /
SOURCE 3 JCM 11081 / NRC-1);
SOURCE 4 ORGANISM_TAXID: 64091;
SOURCE 5 STRAIN: ATCC 700922 / JCM 11081 / NRC-1
KEYWDS BACTERIORHODOPSIN, XFEL, TIME-RESOLVED SFX, SACLA, PROTON TRANSPORT
EXPDTA X-RAY DIFFRACTION
AUTHOR E.NANGO,A.ROYANT,T.NAKANE,T.TANAKA,T.ARIMA,R.NEUTZE,S.IWATA
REVDAT 3 24-JAN-18 5B6V 1 REMARK
REVDAT 2 01-FEB-17 5B6V 1 JRNL
REVDAT 1 21-DEC-16 5B6V 0
JRNL AUTH E.NANGO,A.ROYANT,M.KUBO,T.NAKANE,C.WICKSTRAND,T.KIMURA,
JRNL AUTH 2 T.TANAKA,K.TONO,C.SONG,R.TANAKA,T.ARIMA,A.YAMASHITA,
JRNL AUTH 3 J.KOBAYASHI,T.HOSAKA,E.MIZOHATA,P.NOGLY,M.SUGAHARA,D.NAM,
JRNL AUTH 4 T.NOMURA,T.SHIMAMURA,D.IM,T.FUJIWARA,Y.YAMANAKA,B.JEON,
JRNL AUTH 5 T.NISHIZAWA,K.ODA,M.FUKUDA,R.ANDERSSON,P.BATH,R.DODS,
JRNL AUTH 6 J.DAVIDSSON,S.MATSUOKA,S.KAWATAKE,M.MURATA,O.NUREKI,S.OWADA,
JRNL AUTH 7 T.KAMESHIMA,T.HATSUI,Y.JOTI,G.SCHERTLER,M.YABASHI,
JRNL AUTH 8 A.N.BONDAR,J.STANDFUSS,R.NEUTZE,S.IWATA
JRNL TITL A THREE-DIMENSIONAL MOVIE OF STRUCTURAL CHANGES IN
JRNL TITL 2 BACTERIORHODOPSIN
JRNL REF SCIENCE V. 354 1552 2016
JRNL REFN ESSN 1095-9203
JRNL PMID 28008064
JRNL DOI 10.1126/SCIENCE.AAH3497
REMARK 2
REMARK 2 RESOLUTION. 2.00 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PHENIX 1.10.1_2155
REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN
REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,
REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,
REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,
REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON,
REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,
REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT
REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART
REMARK 3
REMARK 3 REFINEMENT TARGET : NULL
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 21.91
REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.380
REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0
REMARK 3 NUMBER OF REFLECTIONS : 16745
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 R VALUE (WORKING + TEST SET) : 0.152
REMARK 3 R VALUE (WORKING SET) : 0.150
REMARK 3 FREE R VALUE : 0.175
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.010
REMARK 3 FREE R VALUE TEST SET COUNT : 839
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 21.9130 - 3.6296 1.00 2668 153 0.1566 0.1793
REMARK 3 2 3.6296 - 2.8830 1.00 2671 140 0.1485 0.1634
REMARK 3 3 2.8830 - 2.5192 1.00 2643 132 0.1324 0.1577
REMARK 3 4 2.5192 - 2.2891 1.00 2653 134 0.1285 0.1474
REMARK 3 5 2.2891 - 2.1252 1.00 2642 137 0.1503 0.2218
REMARK 3 6 2.1252 - 2.0000 1.00 2629 143 0.2071 0.2661
REMARK 3
REMARK 3 BULK SOLVENT MODELLING.
REMARK 3 METHOD USED : NULL
REMARK 3 SOLVENT RADIUS : 1.11
REMARK 3 SHRINKAGE RADIUS : 0.90
REMARK 3 K_SOL : NULL
REMARK 3 B_SOL : NULL
REMARK 3
REMARK 3 ERROR ESTIMATES.
REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.220
REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 19.650
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : NULL
REMARK 3 B22 (A**2) : NULL
REMARK 3 B33 (A**2) : NULL
REMARK 3 B12 (A**2) : NULL
REMARK 3 B13 (A**2) : NULL
REMARK 3 B23 (A**2) : NULL
REMARK 3
REMARK 3 TWINNING INFORMATION.
REMARK 3 FRACTION: NULL
REMARK 3 OPERATOR: NULL
REMARK 3
REMARK 3 DEVIATIONS FROM IDEAL VALUES.
REMARK 3 RMSD COUNT
REMARK 3 BOND : 0.003 2063
REMARK 3 ANGLE : 0.732 2744
REMARK 3 CHIRALITY : 0.038 310
REMARK 3 PLANARITY : 0.003 299
REMARK 3 DIHEDRAL : 17.472 1189
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 5B6V COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ.
REMARK 100 THE DEPOSITION ID IS D_1300000602.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 04-FEB-16
REMARK 200 TEMPERATURE (KELVIN) : 293
REMARK 200 PH : NULL
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : N
REMARK 200 RADIATION SOURCE : FREE ELECTRON LASER
REMARK 200 BEAMLINE : BL3
REMARK 200 X-RAY GENERATOR MODEL : SACLA BEAMLINE BL3
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.63
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : MPCCD
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : CRYSTFEL 0.6.2
REMARK 200 DATA SCALING SOFTWARE : CRYSTFEL 0.6.2
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 16786
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000
REMARK 200 RESOLUTION RANGE LOW (A) : 39.920
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0
REMARK 200 DATA REDUNDANCY : 3389.
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 30.0000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.07
REMARK 200 COMPLETENESS FOR SHELL (%) : NULL
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: NULL
REMARK 200 STARTING MODEL: 3NS0
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 47.77
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.35
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M NA/K PHOSPHATE PH5.4 , 30% PEG
REMARK 280 2000, LIPIDIC CUBIC PHASE, TEMPERATURE 293K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 63
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -Y,X-Y,Z
REMARK 290 3555 -X+Y,-X,Z
REMARK 290 4555 -X,-Y,Z+1/2
REMARK 290 5555 Y,-X+Y,Z+1/2
REMARK 290 6555 X-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 -0.500000 -0.866025 0.000000 0.00000
REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000
REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 56.00000
REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000
REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000
REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 56.00000
REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000
REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000
REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 56.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 25220 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 28500 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -117.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 -62.50000
REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 0.00000
REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000
REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 -31.25000
REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 -54.12659
REMARK 350 BIOMT3 3 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 GLN A 1
REMARK 465 ALA A 2
REMARK 465 GLN A 3
REMARK 465 ALA A 235
REMARK 465 PRO A 236
REMARK 465 GLU A 237
REMARK 465 PRO A 238
REMARK 465 SER A 239
REMARK 465 ALA A 240
REMARK 465 GLY A 241
REMARK 465 ASP A 242
REMARK 465 GLY A 243
REMARK 465 ALA A 244
REMARK 465 ALA A 245
REMARK 465 ALA A 246
REMARK 465 THR A 247
REMARK 465 SER A 248
REMARK 600
REMARK 600 HETEROGEN
REMARK 600
REMARK 600 LIGANDS TRD, D10, HP6, OCT, MYS, UND, DD9, AND C14 ARE MODELED AS A
REMARK 600 LIPID FRAGMENT.
REMARK 610
REMARK 610 MISSING HETEROATOM
REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;
REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 610 I=INSERTION CODE):
REMARK 610 M RES C SSEQI
REMARK 610 L2P A 600
REMARK 610 L2P A 608
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue RET A 300
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue L2P A 600
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue TRD A 601
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue D10 A 602
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC5
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue HP6 A 603
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC6
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue OCT A 604
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC7
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue OCT A 605
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC8
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue MYS A 606
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC9
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue UND A 607
REMARK 800
REMARK 800 SITE_IDENTIFIER: AD1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue L2P A 608
REMARK 800
REMARK 800 SITE_IDENTIFIER: AD2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue L2P A 609
REMARK 800
REMARK 800 SITE_IDENTIFIER: AD3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue MYS A 610
REMARK 800
REMARK 800 SITE_IDENTIFIER: AD4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue DD9 A 611
REMARK 800
REMARK 800 SITE_IDENTIFIER: AD5
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue C14 A 612
REMARK 800
REMARK 800 SITE_IDENTIFIER: AD6
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue OCT A 613
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 5B6W RELATED DB: PDB
REMARK 900 RELATED ID: 5B6X RELATED DB: PDB
REMARK 900 RELATED ID: 5B6Y RELATED DB: PDB
REMARK 900 RELATED ID: 5B6Z RELATED DB: PDB
DBREF 5B6V A 1 248 UNP P02945 BACR_HALSA 14 261
SEQRES 1 A 248 GLN ALA GLN ILE THR GLY ARG PRO GLU TRP ILE TRP LEU
SEQRES 2 A 248 ALA LEU GLY THR ALA LEU MET GLY LEU GLY THR LEU TYR
SEQRES 3 A 248 PHE LEU VAL LYS GLY MET GLY VAL SER ASP PRO ASP ALA
SEQRES 4 A 248 LYS LYS PHE TYR ALA ILE THR THR LEU VAL PRO ALA ILE
SEQRES 5 A 248 ALA PHE THR MET TYR LEU SER MET LEU LEU GLY TYR GLY
SEQRES 6 A 248 LEU THR MET VAL PRO PHE GLY GLY GLU GLN ASN PRO ILE
SEQRES 7 A 248 TYR TRP ALA ARG TYR ALA ASP TRP LEU PHE THR THR PRO
SEQRES 8 A 248 LEU LEU LEU LEU ASP LEU ALA LEU LEU VAL ASP ALA ASP
SEQRES 9 A 248 GLN GLY THR ILE LEU ALA LEU VAL GLY ALA ASP GLY ILE
SEQRES 10 A 248 MET ILE GLY THR GLY LEU VAL GLY ALA LEU THR LYS VAL
SEQRES 11 A 248 TYR SER TYR ARG PHE VAL TRP TRP ALA ILE SER THR ALA
SEQRES 12 A 248 ALA MET LEU TYR ILE LEU TYR VAL LEU PHE PHE GLY PHE
SEQRES 13 A 248 THR SER LYS ALA GLU SER MET ARG PRO GLU VAL ALA SER
SEQRES 14 A 248 THR PHE LYS VAL LEU ARG ASN VAL THR VAL VAL LEU TRP
SEQRES 15 A 248 SER ALA TYR PRO VAL VAL TRP LEU ILE GLY SER GLU GLY
SEQRES 16 A 248 ALA GLY ILE VAL PRO LEU ASN ILE GLU THR LEU LEU PHE
SEQRES 17 A 248 MET VAL LEU ASP VAL SER ALA LYS VAL GLY PHE GLY LEU
SEQRES 18 A 248 ILE LEU LEU ARG SER ARG ALA ILE PHE GLY GLU ALA GLU
SEQRES 19 A 248 ALA PRO GLU PRO SER ALA GLY ASP GLY ALA ALA ALA THR
SEQRES 20 A 248 SER
HET RET A 300 48
HET L2P A 600 71
HET TRD A 601 41
HET D10 A 602 32
HET HP6 A 603 23
HET OCT A 604 26
HET OCT A 605 26
HET MYS A 606 47
HET UND A 607 35
HET L2P A 608 65
HET L2P A 609 134
HET MYS A 610 47
HET DD9 A 611 29
HET C14 A 612 44
HET OCT A 613 26
HET UND A 614 35
HETNAM RET RETINAL
HETNAM L2P 2,3-DI-PHYTANYL-GLYCEROL
HETNAM TRD TRIDECANE
HETNAM D10 DECANE
HETNAM HP6 HEPTANE
HETNAM OCT N-OCTANE
HETNAM MYS PENTADECANE
HETNAM UND UNDECANE
HETNAM DD9 NONANE
HETNAM C14 TETRADECANE
HETSYN L2P 1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCEROL
HETSYN TRD LIPID FRAGMENT
HETSYN UND LIPID FRAGMENT
FORMUL 2 RET C20 H28 O
FORMUL 3 L2P 3(C43 H88 O3)
FORMUL 4 TRD C13 H28
FORMUL 5 D10 C10 H22
FORMUL 6 HP6 C7 H16
FORMUL 7 OCT 3(C8 H18)
FORMUL 9 MYS 2(C15 H32)
FORMUL 10 UND 2(C11 H24)
FORMUL 14 DD9 C9 H20
FORMUL 15 C14 C14 H30
FORMUL 18 HOH *17(H2 O)
HELIX 1 AA1 GLU A 9 GLY A 31 1 23
HELIX 2 AA2 ASP A 36 LEU A 62 1 27
HELIX 3 AA3 TRP A 80 VAL A 101 1 22
HELIX 4 AA4 ASP A 104 THR A 128 1 25
HELIX 5 AA5 VAL A 130 PHE A 154 1 25
HELIX 6 AA6 PHE A 156 SER A 162 1 7
HELIX 7 AA7 ARG A 164 GLY A 192 1 29
HELIX 8 AA8 PRO A 200 ARG A 225 1 26
HELIX 9 AA9 SER A 226 PHE A 230 5 5
SHEET 1 AA1 2 LEU A 66 PHE A 71 0
SHEET 2 AA1 2 GLU A 74 TYR A 79 -1 O ILE A 78 N THR A 67
LINK NZ LYS A 216 C15 RET A 300 1555 1555 1.31
SITE 1 AC1 9 TRP A 86 THR A 90 TRP A 138 SER A 141
SITE 2 AC1 9 TRP A 182 TYR A 185 PRO A 186 ASP A 212
SITE 3 AC1 9 LYS A 216
SITE 1 AC2 6 ALA A 44 LEU A 48 PHE A 54 THR A 107
SITE 2 AC2 6 TYR A 147 D10 A 602
SITE 1 AC3 1 LEU A 149
SITE 1 AC4 3 LEU A 22 L2P A 600 HP6 A 603
SITE 1 AC5 1 D10 A 602
SITE 1 AC6 1 LYS A 172
SITE 1 AC7 1 MYS A 606
SITE 1 AC8 2 OCT A 605 L2P A 608
SITE 1 AC9 1 L2P A 608
SITE 1 AD1 5 TYR A 131 TRP A 138 ILE A 203 MYS A 606
SITE 2 AD1 5 UND A 607
SITE 1 AD2 11 ILE A 52 MET A 56 TYR A 64 TRP A 80
SITE 2 AD2 11 ALA A 84 GLY A 116 ILE A 117 GLY A 120
SITE 3 AD2 11 LEU A 123 VAL A 124 C14 A 612
SITE 1 AD3 1 TYR A 26
SITE 1 AD4 1 ARG A 225
SITE 1 AD5 4 LEU A 87 PRO A 91 LEU A 95 L2P A 609
SITE 1 AD6 1 TYR A 26
CRYST1 62.500 62.500 112.000 90.00 90.00 120.00 P 63 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 0.016000 0.009238 0.000000 0.00000
SCALE2 0.000000 0.018475 0.000000 0.00000
SCALE3 0.000000 0.000000 0.008929 0.00000
ATOM 1 N ILE A 4 -11.036 -28.791 -20.798 1.00 85.80 N
ATOM 2 CA ILE A 4 -10.463 -28.155 -19.620 1.00 95.55 C
ATOM 3 C ILE A 4 -9.196 -27.398 -19.996 1.00 88.13 C
ATOM 4 O ILE A 4 -9.128 -26.176 -19.867 1.00 77.06 O
ATOM 5 CB ILE A 4 -10.171 -29.192 -18.511 1.00 95.02 C
ATOM 6 CG1 ILE A 4 -11.483 -29.800 -18.003 1.00 78.08 C
ATOM 7 CG2 ILE A 4 -9.377 -28.554 -17.364 1.00 83.91 C
ATOM 8 CD1 ILE A 4 -11.320 -30.834 -16.899 1.00 83.92 C
ATOM 9 HA ILE A 4 -11.100 -27.514 -19.268 1.00114.66 H
ATOM 10 HB ILE A 4 -9.634 -29.904 -18.894 1.00114.02 H
ATOM 11 HG12 ILE A 4 -12.041 -29.086 -17.656 1.00 93.69 H
ATOM 12 HG13 ILE A 4 -11.932 -30.233 -18.746 1.00 93.69 H
ATOM 13 HG21 ILE A 4 -9.209 -29.226 -16.685 1.00100.69 H
ATOM 14 HG22 ILE A 4 -8.537 -28.217 -17.712 1.00100.69 H
ATOM 15 HG23 ILE A 4 -9.896 -27.826 -16.988 1.00100.69 H
ATOM 16 HD11 ILE A 4 -12.196 -31.162 -16.642 1.00100.71 H
ATOM 17 HD12 ILE A 4 -10.777 -31.566 -17.230 1.00100.71 H
ATOM 18 HD13 ILE A 4 -10.886 -30.417 -16.138 1.00100.71 H
ATOM 19 N THR A 5 -8.190 -28.136 -20.469 1.00 68.99 N
ATOM 20 CA THR A 5 -6.875 -27.559 -20.717 1.00 81.95 C
ATOM 21 C THR A 5 -6.875 -26.531 -21.841 1.00 79.19 C
ATOM 22 O THR A 5 -5.839 -25.899 -22.073 1.00 73.01 O
ATOM 23 CB THR A 5 -5.873 -28.669 -21.035 1.00 88.73 C
ATOM 24 OG1 THR A 5 -6.317 -29.408 -22.180 1.00102.12 O
ATOM 25 CG2 THR A 5 -5.731 -29.611 -19.845 1.00 78.96 C
ATOM 26 H THR A 5 -8.247 -28.974 -20.654 1.00 82.78 H
ATOM 27 HA THR A 5 -6.575 -27.113 -19.910 1.00 98.34 H
ATOM 28 HB THR A 5 -5.005 -28.277 -21.221 1.00106.48 H
ATOM 29 HG1 THR A 5 -5.769 -30.019 -22.358 1.00122.55 H
ATOM 30 HG21 THR A 5 -5.094 -30.313 -20.052 1.00 94.75 H
ATOM 31 HG22 THR A 5 -5.418 -29.120 -19.069 1.00 94.75 H
ATOM 32 HG23 THR A 5 -6.588 -30.014 -19.638 1.00 94.75 H
ATOM 33 N GLY A 6 -7.995 -26.345 -22.539 1.00 81.37 N
ATOM 34 CA GLY A 6 -8.075 -25.306 -23.549 1.00 76.88 C
ATOM 35 C GLY A 6 -8.058 -23.896 -22.996 1.00 76.52 C
ATOM 36 O GLY A 6 -7.932 -22.946 -23.776 1.00 76.82 O
ATOM 37 H GLY A 6 -8.715 -26.806 -22.444 1.00 97.65 H
ATOM 38 HA2 GLY A 6 -7.326 -25.399 -24.159 1.00 92.26 H
ATOM 39 HA3 GLY A 6 -8.894 -25.420 -24.057 1.00 92.26 H
ATOM 40 N ARG A 7 -8.181 -23.739 -21.678 1.00 66.33 N
ATOM 41 CA ARG A 7 -8.160 -22.432 -21.037 1.00 60.20 C
ATOM 42 C ARG A 7 -6.861 -22.276 -20.262 1.00 49.60 C
ATOM 43 O ARG A 7 -6.583 -23.099 -19.378 1.00 59.27 O
ATOM 44 CB ARG A 7 -9.356 -22.276 -20.099 1.00 60.75 C
ATOM 45 CG ARG A 7 -10.709 -22.242 -20.790 1.00 56.85 C
ATOM 46 CD ARG A 7 -11.830 -22.336 -19.764 1.00 66.60 C
ATOM 47 NE ARG A 7 -12.184 -23.724 -19.470 1.00 69.67 N
ATOM 48 CZ ARG A 7 -12.644 -24.163 -18.301 1.00 69.92 C
ATOM 49 NH1 ARG A 7 -12.940 -25.447 -18.154 1.00 67.02 N
ATOM 50 NH2 ARG A 7 -12.795 -23.337 -17.271 1.00 46.72 N
ATOM 51 H ARG A 7 -8.280 -24.391 -21.126 1.00 79.59 H
ATOM 52 HA ARG A 7 -8.203 -21.737 -21.712 1.00 72.24 H
ATOM 53 HB2 ARG A 7 -9.362 -23.022 -19.479 1.00 72.91 H
ATOM 54 HB3 ARG A 7 -9.257 -21.446 -19.608 1.00 72.91 H
ATOM 55 HG2 ARG A 7 -10.804 -21.407 -21.274 1.00 68.22 H
ATOM 56 HG3 ARG A 7 -10.782 -22.996 -21.396 1.00 68.22 H
ATOM 57 HD2 ARG A 7 -11.543 -21.915 -18.938 1.00 79.92 H
ATOM 58 HD3 ARG A 7 -12.618 -21.889 -20.111 1.00 79.92 H
ATOM 59 HE ARG A 7 -12.088 -24.301 -20.101 1.00 83.61 H
ATOM 60 HH11 ARG A 7 -12.840 -25.990 -18.814 1.00 80.42 H
ATOM 61 HH12 ARG A 7 -13.230 -25.738 -17.398 1.00 80.42 H
ATOM 62 HH21 ARG A 7 -12.606 -22.502 -17.358 1.00 56.06 H
ATOM 63 HH22 ARG A 7 -13.090 -23.635 -16.520 1.00 56.06 H
ATOM 64 N PRO A 8 -6.043 -21.254 -20.531 1.00 49.18 N
ATOM 65 CA PRO A 8 -4.759 -21.149 -19.816 1.00 54.26 C
ATOM 66 C PRO A 8 -4.898 -21.049 -18.307 1.00 55.46 C
ATOM 67 O PRO A 8 -3.972 -21.445 -17.587 1.00 51.15 O
ATOM 68 CB PRO A 8 -4.126 -19.880 -20.409 1.00 55.63 C
ATOM 69 CG PRO A 8 -5.253 -19.128 -21.025 1.00 61.76 C
ATOM 70 CD PRO A 8 -6.232 -20.152 -21.489 1.00 49.99 C
ATOM 71 HA PRO A 8 -4.198 -21.911 -20.031 1.00 65.11 H
ATOM 72 HB2 PRO A 8 -3.714 -19.360 -19.702 1.00 66.75 H
ATOM 73 HB3 PRO A 8 -3.471 -20.126 -21.081 1.00 66.75 H
ATOM 74 HG2 PRO A 8 -5.657 -18.548 -20.360 1.00 74.11 H
ATOM 75 HG3 PRO A 8 -4.924 -18.608 -21.775 1.00 74.11 H
ATOM 76 HD2 PRO A 8 -7.136 -19.806 -21.433 1.00 59.98 H
ATOM 77 HD3 PRO A 8 -6.016 -20.444 -22.388 1.00 59.98 H
ATOM 78 N GLU A 9 -6.016 -20.534 -17.798 1.00 46.78 N
ATOM 79 CA GLU A 9 -6.187 -20.404 -16.356 1.00 42.82 C
ATOM 80 C GLU A 9 -6.532 -21.720 -15.673 1.00 44.37 C
ATOM 81 O GLU A 9 -6.696 -21.735 -14.449 1.00 42.77 O
ATOM 82 CB GLU A 9 -7.269 -19.363 -16.036 1.00 45.23 C
ATOM 83 CG GLU A 9 -8.697 -19.742 -16.421 1.00 46.96 C
ATOM 84 CD GLU A 9 -9.028 -19.417 -17.862 1.00 49.82 C
ATOM 85 OE1 GLU A 9 -8.092 -19.184 -18.653 1.00 51.96 O
ATOM 86 OE2 GLU A 9 -10.229 -19.393 -18.204 1.00 47.71 O
ATOM 87 H GLU A 9 -6.684 -20.255 -18.263 1.00 56.13 H
ATOM 88 HA GLU A 9 -5.353 -20.087 -15.975 1.00 51.38 H
ATOM 89 HB2 GLU A 9 -7.261 -19.199 -15.080 1.00 54.27 H
ATOM 90 HB3 GLU A 9 -7.051 -18.543 -16.505 1.00 54.27 H
ATOM 91 HG2 GLU A 9 -8.814 -20.697 -16.295 1.00 56.35 H
ATOM 92 HG3 GLU A 9 -9.316 -19.255 -15.855 1.00 56.35 H
ATOM 93 N TRP A 10 -6.632 -22.821 -16.421 1.00 41.77 N
ATOM 94 CA TRP A 10 -7.087 -24.075 -15.830 1.00 41.14 C
ATOM 95 C TRP A 10 -6.157 -24.547 -14.719 1.00 44.06 C
ATOM 96 O TRP A 10 -6.615 -25.165 -13.751 1.00 46.30 O
ATOM 97 CB TRP A 10 -7.212 -25.153 -16.911 1.00 50.17 C
ATOM 98 CG TRP A 10 -5.909 -25.805 -17.278 1.00 61.33 C
ATOM 99 CD1 TRP A 10 -5.068 -25.447 -18.292 1.00 62.58 C
ATOM 100 CD2 TRP A 10 -5.302 -26.931 -16.633 1.00 51.22 C
ATOM 101 NE1 TRP A 10 -3.975 -26.279 -18.317 1.00 63.49 N
ATOM 102 CE2 TRP A 10 -4.095 -27.198 -17.308 1.00 61.67 C
ATOM 103 CE3 TRP A 10 -5.661 -27.737 -15.548 1.00 60.01 C
ATOM 104 CZ2 TRP A 10 -3.246 -28.237 -16.934 1.00 65.38 C
ATOM 105 CZ3 TRP A 10 -4.817 -28.767 -15.179 1.00 56.73 C
ATOM 106 CH2 TRP A 10 -3.623 -29.008 -15.870 1.00 77.21 C
ATOM 107 H TRP A 10 -6.445 -22.866 -17.259 1.00 50.13 H
ATOM 108 HA TRP A 10 -7.966 -23.938 -15.443 1.00 49.37 H
ATOM 109 HB2 TRP A 10 -7.810 -25.847 -16.592 1.00 60.20 H
ATOM 110 HB3 TRP A 10 -7.577 -24.749 -17.714 1.00 60.20 H
ATOM 111 HD1 TRP A 10 -5.214 -24.742 -18.881 1.00 75.10 H
ATOM 112 HE1 TRP A 10 -3.322 -26.231 -18.875 1.00 76.19 H
ATOM 113 HE3 TRP A 10 -6.452 -27.582 -15.084 1.00 72.01 H
ATOM 114 HZ2 TRP A 10 -2.453 -28.400 -17.391 1.00 78.46 H
ATOM 115 HZ3 TRP A 10 -5.046 -29.310 -14.459 1.00 68.08 H
ATOM 116 HH2 TRP A 10 -3.075 -29.709 -15.600 1.00 92.65 H
ATOM 117 N ILE A 11 -4.857 -24.263 -14.828 1.00 42.48 N
ATOM 118 CA ILE A 11 -3.907 -24.769 -13.839 1.00 42.47 C
ATOM 119 C ILE A 11 -4.197 -24.183 -12.464 1.00 39.19 C
ATOM 120 O ILE A 11 -4.041 -24.860 -11.439 1.00 43.85 O
ATOM 121 CB ILE A 11 -2.459 -24.475 -14.278 1.00 50.56 C
ATOM 122 CG1 ILE A 11 -1.464 -25.005 -13.240 1.00 57.08 C
ATOM 123 CG2 ILE A 11 -2.246 -22.979 -14.474 1.00 56.85 C
ATOM 124 CD1 ILE A 11 -1.603 -26.490 -12.938 1.00 70.03 C
ATOM 125 H ILE A 11 -4.506 -23.788 -15.454 1.00 50.98 H
ATOM 126 HA ILE A 11 -4.006 -25.732 -13.776 1.00 50.96 H
ATOM 127 HB ILE A 11 -2.294 -24.924 -15.122 1.00 60.68 H
ATOM 128 HG12 ILE A 11 -0.564 -24.854 -13.568 1.00 68.49 H
ATOM 129 HG13 ILE A 11 -1.595 -24.522 -12.409 1.00 68.49 H
ATOM 130 HG21 ILE A 11 -1.329 -22.824 -14.749 1.00 68.22 H
ATOM 131 HG22 ILE A 11 -2.855 -22.661 -15.158 1.00 68.22 H
ATOM 132 HG23 ILE A 11 -2.422 -22.523 -13.636 1.00 68.22 H
ATOM 133 HD11 ILE A 11 -0.940 -26.740 -12.276 1.00 84.03 H
ATOM 134 HD12 ILE A 11 -2.494 -26.660 -12.595 1.00 84.03 H
ATOM 135 HD13 ILE A 11 -1.461 -26.993 -13.755 1.00 84.03 H
ATOM 136 N TRP A 12 -4.608 -22.914 -12.414 1.00 40.16 N
ATOM 137 CA TRP A 12 -4.898 -22.272 -11.137 1.00 37.50 C
ATOM 138 C TRP A 12 -6.246 -22.707 -10.575 1.00 36.54 C
ATOM 139 O TRP A 12 -6.418 -22.749 -9.352 1.00 39.13 O
ATOM 140 CB TRP A 12 -4.854 -20.751 -11.299 1.00 40.52 C
ATOM 141 CG TRP A 12 -3.626 -20.276 -12.019 1.00 42.44 C
ATOM 142 CD1 TRP A 12 -3.579 -19.522 -13.156 1.00 45.78 C
ATOM 143 CD2 TRP A 12 -2.265 -20.541 -11.658 1.00 41.56 C
ATOM 144 NE1 TRP A 12 -2.273 -19.295 -13.520 1.00 46.52 N
ATOM 145 CE2 TRP A 12 -1.447 -19.910 -12.616 1.00 44.65 C
ATOM 146 CE3 TRP A 12 -1.659 -21.248 -10.615 1.00 51.58 C
ATOM 147 CZ2 TRP A 12 -0.058 -19.964 -12.564 1.00 58.93 C
ATOM 148 CZ3 TRP A 12 -0.278 -21.300 -10.564 1.00 55.60 C
ATOM 149 CH2 TRP A 12 0.506 -20.662 -11.533 1.00 49.95 C
ATOM 150 H TRP A 12 -4.725 -22.409 -13.101 1.00 48.19 H
ATOM 151 HA TRP A 12 -4.214 -22.523 -10.497 1.00 45.00 H
ATOM 152 HB2 TRP A 12 -5.629 -20.465 -11.808 1.00 48.63 H
ATOM 153 HB3 TRP A 12 -4.864 -20.340 -10.421 1.00 48.63 H
ATOM 154 HD1 TRP A 12 -4.323 -19.205 -13.616 1.00 54.93 H
ATOM 155 HE1 TRP A 12 -2.016 -18.841 -14.204 1.00 55.82 H
ATOM 156 HE3 TRP A 12 -2.174 -21.674 -9.968 1.00 61.89 H
ATOM 157 HZ2 TRP A 12 0.466 -19.541 -13.205 1.00 70.72 H
ATOM 158 HZ3 TRP A 12 0.137 -21.767 -9.875 1.00 66.72 H
ATOM 159 HH2 TRP A 12 1.433 -20.714 -11.473 1.00 59.94 H
ATOM 160 N LEU A 13 -7.208 -23.027 -11.442 1.00 38.01 N
ATOM 161 CA LEU A 13 -8.469 -23.585 -10.969 1.00 38.94 C
ATOM 162 C LEU A 13 -8.270 -24.986 -10.407 1.00 36.84 C
ATOM 163 O LEU A 13 -8.896 -25.357 -9.408 1.00 37.33 O
ATOM 164 CB LEU A 13 -9.491 -23.603 -12.104 1.00 38.66 C
ATOM 165 CG LEU A 13 -9.872 -22.239 -12.680 1.00 42.56 C
ATOM 166 CD1 LEU A 13 -10.786 -22.406 -13.879 1.00 40.91 C
ATOM 167 CD2 LEU A 13 -10.535 -21.367 -11.624 1.00 41.19 C
ATOM 168 H LEU A 13 -7.155 -22.932 -12.295 1.00 45.61 H
ATOM 169 HA LEU A 13 -8.818 -23.023 -10.259 1.00 46.72 H
ATOM 170 HB2 LEU A 13 -9.130 -24.134 -12.831 1.00 46.40 H
ATOM 171 HB3 LEU A 13 -10.305 -24.016 -11.776 1.00 46.40 H
ATOM 172 HG LEU A 13 -9.067 -21.787 -12.978 1.00 51.07 H
ATOM 173 HD11 LEU A 13 -11.014 -21.529 -14.226 1.00 49.09 H
ATOM 174 HD12 LEU A 13 -10.324 -22.922 -14.558 1.00 49.09 H
ATOM 175 HD13 LEU A 13 -11.590 -22.871 -13.600 1.00 49.09 H
ATOM 176 HD21 LEU A 13 -10.764 -20.511 -12.020 1.00 49.42 H
ATOM 177 HD22 LEU A 13 -11.337 -21.811 -11.307 1.00 49.42 H
ATOM 178 HD23 LEU A 13 -9.916 -21.237 -10.889 1.00 49.42 H
ATOM 179 N ALA A 14 -7.395 -25.776 -11.033 1.00 40.80 N
ATOM 180 CA ALA A 14 -7.120 -27.119 -10.533 1.00 39.99 C
ATOM 181 C ALA A 14 -6.376 -27.070 -9.206 1.00 35.03 C
ATOM 182 O ALA A 14 -6.675 -27.847 -8.291 1.00 39.71 O
ATOM 183 CB ALA A 14 -6.320 -27.910 -11.570 1.00 43.65 C
ATOM 184 H ALA A 14 -6.954 -25.560 -11.739 1.00 48.96 H
ATOM 185 HA ALA A 14 -7.961 -27.580 -10.388 1.00 47.98 H
ATOM 186 HB1 ALA A 14 -6.146 -28.799 -11.223 1.00 52.38 H
ATOM 187 HB2 ALA A 14 -6.837 -27.970 -12.389 1.00 52.38 H
ATOM 188 HB3 ALA A 14 -5.483 -27.451 -11.740 1.00 52.38 H
ATOM 189 N LEU A 15 -5.399 -26.167 -9.080 1.00 43.33 N
ATOM 190 CA LEU A 15 -4.695 -26.020 -7.810 1.00 38.01 C
ATOM 191 C LEU A 15 -5.644 -25.556 -6.714 1.00 41.38 C
ATOM 192 O LEU A 15 -5.619 -26.082 -5.595 1.00 38.59 O
ATOM 193 CB LEU A 15 -3.534 -25.035 -7.955 1.00 43.65 C
ATOM 194 CG LEU A 15 -2.105 -25.530 -7.717 1.00 69.59 C
ATOM 195 CD1 LEU A 15 -1.139 -24.358 -7.824 1.00 67.04 C
ATOM 196 CD2 LEU A 15 -1.959 -26.213 -6.363 1.00 62.91 C
ATOM 197 H LEU A 15 -5.131 -25.639 -9.703 1.00 52.00 H
ATOM 198 HA LEU A 15 -4.330 -26.880 -7.548 1.00 45.61 H
ATOM 199 HB2 LEU A 15 -3.559 -24.681 -8.858 1.00 52.38 H
ATOM 200 HB3 LEU A 15 -3.685 -24.309 -7.330 1.00 52.38 H
ATOM 201 HG LEU A 15 -1.874 -26.174 -8.405 1.00 83.51 H
ATOM 202 HD11 LEU A 15 -0.236 -24.679 -7.672 1.00 80.45 H
ATOM 203 HD12 LEU A 15 -1.209 -23.972 -8.711 1.00 80.45 H
ATOM 204 HD13 LEU A 15 -1.372 -23.695 -7.155 1.00 80.45 H
ATOM 205 HD21 LEU A 15 -1.041 -26.509 -6.256 1.00 75.49 H
ATOM 206 HD22 LEU A 15 -2.186 -25.580 -5.664 1.00 75.49 H
ATOM 207 HD23 LEU A 15 -2.559 -26.974 -6.328 1.00 75.49 H
ATOM 208 N GLY A 16 -6.485 -24.565 -7.013 1.00 38.84 N
ATOM 209 CA GLY A 16 -7.449 -24.108 -6.026 1.00 37.41 C
ATOM 210 C GLY A 16 -8.380 -25.216 -5.575 1.00 32.83 C
ATOM 211 O GLY A 16 -8.650 -25.368 -4.382 1.00 40.42 O
ATOM 212 H GLY A 16 -6.515 -24.151 -7.766 1.00 46.61 H
ATOM 213 HA2 GLY A 16 -6.979 -23.766 -5.249 1.00 44.89 H
ATOM 214 HA3 GLY A 16 -7.983 -23.392 -6.403 1.00 44.89 H
ATOM 215 N THR A 17 -8.885 -26.006 -6.526 1.00 38.69 N
ATOM 216 CA THR A 17 -9.745 -27.130 -6.177 1.00 37.00 C
ATOM 217 C THR A 17 -9.037 -28.073 -5.212 1.00 40.53 C
ATOM 218 O THR A 17 -9.613 -28.502 -4.206 1.00 37.67 O
ATOM 219 CB THR A 17 -10.167 -27.879 -7.443 1.00 35.55 C
ATOM 220 OG1 THR A 17 -10.827 -26.979 -8.342 1.00 37.95 O
ATOM 221 CG2 THR A 17 -11.105 -29.038 -7.104 1.00 40.59 C
ATOM 222 H THR A 17 -8.745 -25.911 -7.369 1.00 46.43 H
ATOM 223 HA THR A 17 -10.545 -26.796 -5.742 1.00 44.39 H
ATOM 224 HB THR A 17 -9.379 -28.243 -7.876 1.00 42.65 H
ATOM 225 HG1 THR A 17 -10.309 -26.353 -8.554 1.00 45.54 H
ATOM 226 HG21 THR A 17 -11.364 -29.503 -7.915 1.00 48.71 H
ATOM 227 HG22 THR A 17 -10.659 -29.663 -6.511 1.00 48.71 H
ATOM 228 HG23 THR A 17 -11.902 -28.702 -6.665 1.00 48.71 H
ATOM 229 N ALA A 18 -7.780 -28.408 -5.508 1.00 45.11 N
ATOM 230 CA ALA A 18 -7.049 -29.352 -4.671 1.00 43.37 C
ATOM 231 C ALA A 18 -6.821 -28.790 -3.275 1.00 40.34 C
ATOM 232 O ALA A 18 -6.999 -29.497 -2.277 1.00 42.86 O
ATOM 233 CB ALA A 18 -5.716 -29.712 -5.328 1.00 48.41 C
ATOM 234 H ALA A 18 -7.335 -28.106 -6.179 1.00 54.13 H
ATOM 235 HA ALA A 18 -7.570 -30.166 -4.585 1.00 52.04 H
ATOM 236 HB1 ALA A 18 -5.243 -30.340 -4.759 1.00 58.09 H
ATOM 237 HB2 ALA A 18 -5.890 -30.115 -6.193 1.00 58.09 H
ATOM 238 HB3 ALA A 18 -5.190 -28.904 -5.438 1.00 58.09 H
ATOM 239 N LEU A 19 -6.429 -27.520 -3.179 1.00 38.69 N
ATOM 240 CA LEU A 19 -6.111 -26.954 -1.874 1.00 37.60 C
ATOM 241 C LEU A 19 -7.358 -26.775 -1.018 1.00 42.65 C
ATOM 242 O LEU A 19 -7.292 -26.937 0.206 1.00 40.31 O
ATOM 243 CB LEU A 19 -5.379 -25.625 -2.045 1.00 39.52 C
ATOM 244 CG LEU A 19 -3.961 -25.749 -2.614 1.00 45.22 C
ATOM 245 CD1 LEU A 19 -3.420 -24.390 -3.026 1.00 44.92 C
ATOM 246 CD2 LEU A 19 -3.027 -26.407 -1.603 1.00 48.71 C
ATOM 247 H LEU A 19 -6.341 -26.977 -3.840 1.00 46.43 H
ATOM 248 HA LEU A 19 -5.516 -27.562 -1.407 1.00 45.12 H
ATOM 249 HB2 LEU A 19 -5.891 -25.065 -2.649 1.00 47.42 H
ATOM 250 HB3 LEU A 19 -5.312 -25.194 -1.178 1.00 47.42 H
ATOM 251 HG LEU A 19 -3.988 -26.311 -3.404 1.00 54.27 H
ATOM 252 HD11 LEU A 19 -2.524 -24.502 -3.381 1.00 53.91 H
ATOM 253 HD12 LEU A 19 -4.001 -24.012 -3.705 1.00 53.91 H
ATOM 254 HD13 LEU A 19 -3.399 -23.810 -2.249 1.00 53.91 H
ATOM 255 HD21 LEU A 19 -2.140 -26.472 -1.989 1.00 58.45 H
ATOM 256 HD22 LEU A 19 -3.000 -25.864 -0.799 1.00 58.45 H
ATOM 257 HD23 LEU A 19 -3.363 -27.293 -1.393 1.00 58.45 H
ATOM 258 N MET A 20 -8.499 -26.447 -1.629 1.00 39.79 N
ATOM 259 CA MET A 20 -9.736 -26.361 -0.859 1.00 36.55 C
ATOM 260 C MET A 20 -10.189 -27.740 -0.398 1.00 34.33 C
ATOM 261 O MET A 20 -10.677 -27.898 0.728 1.00 39.90 O
ATOM 262 CB MET A 20 -10.832 -25.692 -1.689 1.00 35.56 C
ATOM 263 CG MET A 20 -10.551 -24.243 -2.030 1.00 33.21 C
ATOM 264 SD MET A 20 -10.435 -23.201 -0.569 1.00 39.63 S
ATOM 265 CE MET A 20 -10.233 -21.596 -1.340 1.00 40.57 C
ATOM 266 H MET A 20 -8.581 -26.274 -2.467 1.00 47.74 H
ATOM 267 HA MET A 20 -9.578 -25.808 -0.078 1.00 43.86 H
ATOM 268 HB2 MET A 20 -10.932 -26.178 -2.523 1.00 42.67 H
ATOM 269 HB3 MET A 20 -11.663 -25.722 -1.190 1.00 42.67 H
ATOM 270 HG2 MET A 20 -9.708 -24.188 -2.507 1.00 39.85 H
ATOM 271 HG3 MET A 20 -11.270 -23.903 -2.585 1.00 39.85 H
ATOM 272 HE1 MET A 20 -10.156 -20.921 -0.648 1.00 48.68 H
ATOM 273 HE2 MET A 20 -9.430 -21.606 -1.884 1.00 48.68 H
ATOM 274 HE3 MET A 20 -11.007 -21.414 -1.896 1.00 48.68 H
ATOM 275 N GLY A 21 -10.041 -28.751 -1.253 1.00 38.39 N
ATOM 276 CA GLY A 21 -10.414 -30.098 -0.854 1.00 41.99 C
ATOM 277 C GLY A 21 -9.544 -30.617 0.275 1.00 40.26 C
ATOM 278 O GLY A 21 -10.044 -31.172 1.258 1.00 42.62 O
ATOM 279 H GLY A 21 -9.733 -28.683 -2.053 1.00 46.07 H
ATOM 280 HA2 GLY A 21 -11.338 -30.105 -0.560 1.00 50.38 H
ATOM 281 HA3 GLY A 21 -10.326 -30.697 -1.612 1.00 50.38 H
ATOM 282 N LEU A 22 -8.227 -30.444 0.148 1.00 42.47 N
ATOM 283 CA LEU A 22 -7.323 -30.859 1.215 1.00 41.13 C
ATOM 284 C LEU A 22 -7.611 -30.099 2.504 1.00 48.63 C
ATOM 285 O LEU A 22 -7.616 -30.686 3.594 1.00 42.75 O
ATOM 286 CB LEU A 22 -5.872 -30.655 0.778 1.00 46.25 C
ATOM 287 CG LEU A 22 -5.194 -31.810 0.031 1.00 64.00 C
ATOM 288 CD1 LEU A 22 -5.008 -33.015 0.942 1.00 73.87 C
ATOM 289 CD2 LEU A 22 -5.963 -32.211 -1.216 1.00 76.78 C
ATOM 290 H LEU A 22 -7.839 -30.094 -0.535 1.00 50.96 H
ATOM 291 HA LEU A 22 -7.453 -31.804 1.389 1.00 49.36 H
ATOM 292 HB2 LEU A 22 -5.840 -29.881 0.194 1.00 55.50 H
ATOM 293 HB3 LEU A 22 -5.341 -30.478 1.571 1.00 55.50 H
ATOM 294 HG LEU A 22 -4.313 -31.519 -0.251 1.00 76.79 H
ATOM 295 HD11 LEU A 22 -4.578 -33.726 0.441 1.00 88.65 H
ATOM 296 HD12 LEU A 22 -4.453 -32.758 1.695 1.00 88.65 H
ATOM 297 HD13 LEU A 22 -5.877 -33.310 1.256 1.00 88.65 H
ATOM 298 HD21 LEU A 22 -5.497 -32.942 -1.652 1.00 92.14 H
ATOM 299 HD22 LEU A 22 -6.855 -32.493 -0.959 1.00 92.14 H
ATOM 300 HD23 LEU A 22 -6.016 -31.448 -1.813 1.00 92.14 H
ATOM 301 N GLY A 23 -7.856 -28.791 2.403 1.00 43.72 N
ATOM 302 CA GLY A 23 -8.205 -28.022 3.586 1.00 38.34 C
ATOM 303 C GLY A 23 -9.467 -28.530 4.255 1.00 39.85 C
ATOM 304 O GLY A 23 -9.530 -28.636 5.482 1.00 40.59 O
ATOM 305 H GLY A 23 -7.826 -28.337 1.673 1.00 52.46 H
ATOM 306 HA2 GLY A 23 -7.478 -28.067 4.227 1.00 46.01 H
ATOM 307 HA3 GLY A 23 -8.340 -27.094 3.340 1.00 46.01 H
ATOM 308 N THR A 24 -10.487 -28.858 3.457 1.00 42.09 N
ATOM 309 CA THR A 24 -11.728 -29.382 4.019 1.00 38.19 C
ATOM 310 C THR A 24 -11.472 -30.666 4.800 1.00 40.36 C
ATOM 311 O THR A 24 -11.979 -30.843 5.912 1.00 40.51 O
ATOM 312 CB THR A 24 -12.751 -29.633 2.905 1.00 37.33 C
ATOM 313 OG1 THR A 24 -13.046 -28.407 2.224 1.00 39.59 O
ATOM 314 CG2 THR A 24 -14.046 -30.201 3.479 1.00 41.57 C
ATOM 315 H THR A 24 -10.484 -28.787 2.600 1.00 50.51 H
ATOM 316 HA THR A 24 -12.101 -28.727 4.629 1.00 45.83 H
ATOM 317 HB THR A 24 -12.389 -30.274 2.273 1.00 44.80 H
ATOM 318 HG1 THR A 24 -12.346 -28.091 1.884 1.00 47.50 H
ATOM 319 HG21 THR A 24 -14.685 -30.356 2.766 1.00 49.89 H
ATOM 320 HG22 THR A 24 -13.868 -31.041 3.930 1.00 49.89 H
ATOM 321 HG23 THR A 24 -14.428 -29.576 4.115 1.00 49.89 H
ATOM 322 N LEU A 25 -10.696 -31.584 4.220 1.00 41.35 N
ATOM 323 CA LEU A 25 -10.464 -32.873 4.866 1.00 43.50 C
ATOM 324 C LEU A 25 -9.673 -32.716 6.157 1.00 37.88 C
ATOM 325 O LEU A 25 -9.962 -33.391 7.152 1.00 47.12 O
ATOM 326 CB LEU A 25 -9.740 -33.813 3.904 1.00 43.00 C
ATOM 327 CG LEU A 25 -10.566 -34.241 2.690 1.00 49.12 C
ATOM 328 CD1 LEU A 25 -9.700 -34.972 1.681 1.00 55.91 C
ATOM 329 CD2 LEU A 25 -11.742 -35.110 3.117 1.00 61.84 C
ATOM 330 H LEU A 25 -10.299 -31.486 3.464 1.00 49.62 H
ATOM 331 HA LEU A 25 -11.320 -33.273 5.087 1.00 52.21 H
ATOM 332 HB2 LEU A 25 -8.944 -33.367 3.575 1.00 51.60 H
ATOM 333 HB3 LEU A 25 -9.488 -34.616 4.386 1.00 51.60 H
ATOM 334 HG LEU A 25 -10.922 -33.449 2.258 1.00 58.94 H
ATOM 335 HD11 LEU A 25 -10.248 -35.231 0.924 1.00 67.10 H
ATOM 336 HD12 LEU A 25 -8.989 -34.380 1.388 1.00 67.10 H
ATOM 337 HD13 LEU A 25 -9.323 -35.760 2.102 1.00 67.10 H
ATOM 338 HD21 LEU A 25 -12.247 -35.366 2.329 1.00 74.20 H
ATOM 339 HD22 LEU A 25 -11.403 -35.901 3.565 1.00 74.20 H
ATOM 340 HD23 LEU A 25 -12.306 -34.603 3.722 1.00 74.20 H
ATOM 341 N TYR A 26 -8.671 -31.836 6.165 1.00 42.74 N
ATOM 342 CA TYR A 26 -7.898 -31.623 7.382 1.00 42.95 C
ATOM 343 C TYR A 26 -8.787 -31.111 8.510 1.00 54.76 C
ATOM 344 O TYR A 26 -8.764 -31.645 9.624 1.00 44.55 O
ATOM 345 CB TYR A 26 -6.749 -30.652 7.114 1.00 37.86 C
ATOM 346 CG TYR A 26 -5.886 -30.396 8.327 1.00 46.91 C
ATOM 347 CD1 TYR A 26 -5.047 -31.384 8.825 1.00 61.15 C
ATOM 348 CD2 TYR A 26 -5.914 -29.170 8.978 1.00 53.24 C
ATOM 349 CE1 TYR A 26 -4.258 -31.157 9.938 1.00 60.19 C
ATOM 350 CE2 TYR A 26 -5.128 -28.934 10.091 1.00 59.31 C
ATOM 351 CZ TYR A 26 -4.303 -29.931 10.567 1.00 57.47 C
ATOM 352 OH TYR A 26 -3.519 -29.700 11.673 1.00 74.02 O
ATOM 353 H TYR A 26 -8.425 -31.360 5.492 1.00 51.29 H
ATOM 354 HA TYR A 26 -7.515 -32.469 7.664 1.00 51.54 H
ATOM 355 HB2 TYR A 26 -6.183 -31.020 6.418 1.00 45.44 H
ATOM 356 HB3 TYR A 26 -7.117 -29.802 6.825 1.00 45.44 H
ATOM 357 HD1 TYR A 26 -5.016 -32.212 8.404 1.00 73.39 H
ATOM 358 HD2 TYR A 26 -6.470 -28.496 8.660 1.00 63.89 H
ATOM 359 HE1 TYR A 26 -3.700 -31.828 10.260 1.00 72.23 H
ATOM 360 HE2 TYR A 26 -5.156 -28.108 10.517 1.00 71.17 H
ATOM 361 HH TYR A 26 -3.643 -28.919 11.955 1.00 88.82 H
ATOM 362 N PHE A 27 -9.588 -30.077 8.237 1.00 42.41 N
ATOM 363 CA PHE A 27 -10.472 -29.544 9.269 1.00 36.16 C
ATOM 364 C PHE A 27 -11.477 -30.595 9.722 1.00 41.24 C
ATOM 365 O PHE A 27 -11.813 -30.674 10.910 1.00 46.89 O
ATOM 366 CB PHE A 27 -11.203 -28.300 8.756 1.00 45.99 C
ATOM 367 CG PHE A 27 -10.303 -27.124 8.471 1.00 40.56 C
ATOM 368 CD1 PHE A 27 -9.073 -26.996 9.095 1.00 44.18 C
ATOM 369 CD2 PHE A 27 -10.697 -26.140 7.578 1.00 41.35 C
ATOM 370 CE1 PHE A 27 -8.253 -25.913 8.830 1.00 52.66 C
ATOM 371 CE2 PHE A 27 -9.879 -25.053 7.310 1.00 42.13 C
ATOM 372 CZ PHE A 27 -8.656 -24.942 7.937 1.00 47.65 C
ATOM 373 H PHE A 27 -9.636 -29.676 7.478 1.00 50.89 H
ATOM 374 HA PHE A 27 -9.941 -29.285 10.038 1.00 43.40 H
ATOM 375 HB2 PHE A 27 -11.662 -28.527 7.932 1.00 55.19 H
ATOM 376 HB3 PHE A 27 -11.849 -28.022 9.424 1.00 55.19 H
ATOM 377 HD1 PHE A 27 -8.794 -27.647 9.698 1.00 53.02 H
ATOM 378 HD2 PHE A 27 -11.520 -26.211 7.152 1.00 49.62 H
ATOM 379 HE1 PHE A 27 -7.429 -25.840 9.255 1.00 63.19 H
ATOM 380 HE2 PHE A 27 -10.154 -24.400 6.707 1.00 50.55 H
ATOM 381 HZ PHE A 27 -8.105 -24.214 7.760 1.00 57.18 H
ATOM 382 N LEU A 28 -11.971 -31.411 8.789 1.00 40.90 N
ATOM 383 CA LEU A 28 -12.939 -32.443 9.144 1.00 51.15 C
ATOM 384 C LEU A 28 -12.322 -33.474 10.081 1.00 49.39 C
ATOM 385 O LEU A 28 -12.935 -33.860 11.083 1.00 51.45 O
ATOM 386 CB LEU A 28 -13.464 -33.115 7.876 1.00 50.86 C
ATOM 387 CG LEU A 28 -14.684 -34.020 8.048 1.00 68.10 C
ATOM 388 CD1 LEU A 28 -15.919 -33.194 8.367 1.00 57.93 C
ATOM 389 CD2 LEU A 28 -14.905 -34.857 6.797 1.00 78.18 C
ATOM 390 H LEU A 28 -11.764 -31.387 7.955 1.00 49.08 H
ATOM 391 HA LEU A 28 -13.689 -32.031 9.600 1.00 61.38 H
ATOM 392 HB2 LEU A 28 -13.706 -32.422 7.242 1.00 61.03 H
ATOM 393 HB3 LEU A 28 -12.752 -33.658 7.502 1.00 61.03 H
ATOM 394 HG LEU A 28 -14.527 -34.625 8.790 1.00 81.72 H
ATOM 395 HD11 LEU A 28 -16.678 -33.789 8.471 1.00 69.51 H
ATOM 396 HD12 LEU A 28 -15.767 -32.704 9.190 1.00 69.51 H
ATOM 397 HD13 LEU A 28 -16.081 -32.575 7.638 1.00 69.51 H
ATOM 398 HD21 LEU A 28 -15.682 -35.422 6.929 1.00 93.82 H
ATOM 399 HD22 LEU A 28 -15.050 -34.265 6.043 1.00 93.82 H
ATOM 400 HD23 LEU A 28 -14.120 -35.405 6.641 1.00 93.82 H
ATOM 401 N VAL A 29 -11.106 -33.926 9.776 1.00 50.04 N
ATOM 402 CA VAL A 29 -10.435 -34.897 10.635 1.00 51.54 C
ATOM 403 C VAL A 29 -10.090 -34.266 11.977 1.00 54.55 C
ATOM 404 O VAL A 29 -10.325 -34.856 13.038 1.00 52.93 O
ATOM 405 CB VAL A 29 -9.181 -35.453 9.934 1.00 50.73 C
ATOM 406 CG1 VAL A 29 -8.403 -36.379 10.866 1.00 68.87 C
ATOM 407 CG2 VAL A 29 -9.569 -36.193 8.664 1.00 55.99 C
ATOM 408 H VAL A 29 -10.653 -33.688 9.085 1.00 60.05 H
ATOM 409 HA VAL A 29 -11.037 -35.639 10.801 1.00 61.85 H
ATOM 410 HB VAL A 29 -8.601 -34.715 9.688 1.00 60.87 H
ATOM 411 HG11 VAL A 29 -7.621 -36.713 10.399 1.00 82.64 H
ATOM 412 HG12 VAL A 29 -8.131 -35.880 11.652 1.00 82.64 H
ATOM 413 HG13 VAL A 29 -8.975 -37.119 11.125 1.00 82.64 H
ATOM 414 HG21 VAL A 29 -8.766 -36.534 8.240 1.00 67.19 H
ATOM 415 HG22 VAL A 29 -10.159 -36.928 8.895 1.00 67.19 H
ATOM 416 HG23 VAL A 29 -10.023 -35.578 8.067 1.00 67.19 H
ATOM 417 N LYS A 30 -9.530 -33.055 11.953 1.00 47.73 N
ATOM 418 CA LYS A 30 -9.129 -32.405 13.195 1.00 48.07 C
ATOM 419 C LYS A 30 -10.317 -32.193 14.125 1.00 52.49 C
ATOM 420 O LYS A 30 -10.163 -32.255 15.350 1.00 56.10 O
ATOM 421 CB LYS A 30 -8.448 -31.070 12.894 1.00 49.65 C
ATOM 422 CG LYS A 30 -7.595 -30.545 14.039 1.00 80.02 C
ATOM 423 CD LYS A 30 -6.992 -29.186 13.714 1.00 76.23 C
ATOM 424 CE LYS A 30 -6.179 -28.643 14.880 1.00 79.11 C
ATOM 425 NZ LYS A 30 -6.974 -27.727 15.745 1.00 73.37 N
ATOM 426 H LYS A 30 -9.375 -32.597 11.242 1.00 57.28 H
ATOM 427 HA LYS A 30 -8.488 -32.971 13.653 1.00 57.69 H
ATOM 428 HB2 LYS A 30 -7.872 -31.180 12.121 1.00 59.58 H
ATOM 429 HB3 LYS A 30 -9.130 -30.407 12.704 1.00 59.58 H
ATOM 430 HG2 LYS A 30 -8.147 -30.450 14.831 1.00 96.02 H
ATOM 431 HG3 LYS A 30 -6.869 -31.166 14.208 1.00 96.02 H
ATOM 432 HD2 LYS A 30 -6.404 -29.272 12.947 1.00 91.48 H
ATOM 433 HD3 LYS A 30 -7.705 -28.557 13.522 1.00 91.48 H
ATOM 434 HE2 LYS A 30 -5.873 -29.384 15.426 1.00 94.94 H
ATOM 435 HE3 LYS A 30 -5.420 -28.148 14.534 1.00 94.94 H
ATOM 436 HZ1 LYS A 30 -6.470 -27.428 16.415 1.00 88.04 H
ATOM 437 HZ2 LYS A 30 -7.263 -27.033 15.268 1.00 88.04 H
ATOM 438 HZ3 LYS A 30 -7.676 -28.159 16.081 1.00 88.04 H
ATOM 439 N GLY A 31 -11.500 -31.947 13.572 1.00 49.89 N
ATOM 440 CA GLY A 31 -12.680 -31.725 14.381 1.00 54.55 C
ATOM 441 C GLY A 31 -13.345 -32.970 14.922 1.00 61.86 C
ATOM 442 O GLY A 31 -14.313 -32.856 15.679 1.00 54.88 O
ATOM 443 H GLY A 31 -11.641 -31.904 12.725 1.00 59.87 H
ATOM 444 HA2 GLY A 31 -12.440 -31.165 15.136 1.00 65.46 H
ATOM 445 HA3 GLY A 31 -13.336 -31.245 13.851 1.00 65.46 H
ATOM 446 N MET A 32 -12.859 -34.159 14.559 1.00 66.36 N
ATOM 447 CA MET A 32 -13.473 -35.394 15.039 1.00 79.37 C
ATOM 448 C MET A 32 -13.455 -35.463 16.560 1.00 62.17 C
ATOM 449 O MET A 32 -14.487 -35.709 17.196 1.00 76.50 O
ATOM 450 CB MET A 32 -12.753 -36.605 14.447 1.00 77.42 C
ATOM 451 CG MET A 32 -12.984 -36.809 12.962 1.00 81.66 C
ATOM 452 SD MET A 32 -12.436 -38.430 12.382 1.00 96.34 S
ATOM 453 CE MET A 32 -13.591 -39.514 13.223 1.00 80.01 C
ATOM 454 H MET A 32 -12.182 -34.275 14.041 1.00 79.63 H
ATOM 455 HA MET A 32 -14.394 -35.421 14.737 1.00 95.24 H
ATOM 456 HB2 MET A 32 -11.799 -36.496 14.584 1.00 92.91 H
ATOM 457 HB3 MET A 32 -13.060 -37.403 14.905 1.00 92.91 H
ATOM 458 HG2 MET A 32 -13.933 -36.729 12.776 1.00 97.99 H
ATOM 459 HG3 MET A 32 -12.492 -36.133 12.470 1.00 97.99 H
ATOM 460 HE1 MET A 32 -13.392 -40.433 12.984 1.00 96.01 H
ATOM 461 HE2 MET A 32 -13.497 -39.393 14.181 1.00 96.01 H
ATOM 462 HE3 MET A 32 -14.493 -39.288 12.947 1.00 96.01 H
ATOM 463 N GLY A 33 -12.287 -35.258 17.161 1.00 73.06 N
ATOM 464 CA GLY A 33 -12.150 -35.358 18.600 1.00 83.94 C
ATOM 465 C GLY A 33 -12.445 -34.059 19.319 1.00 90.19 C
ATOM 466 O GLY A 33 -11.577 -33.516 20.009 1.00102.04 O
ATOM 467 H GLY A 33 -11.558 -35.059 16.751 1.00 87.67 H
ATOM 468 HA2 GLY A 33 -12.759 -36.036 18.933 1.00100.73 H
ATOM 469 HA3 GLY A 33 -11.244 -35.628 18.818 1.00100.73 H
ATOM 470 N VAL A 34 -13.667 -33.549 19.168 1.00 71.93 N
ATOM 471 CA VAL A 34 -14.088 -32.317 19.827 1.00 62.41 C
ATOM 472 C VAL A 34 -15.505 -32.507 20.347 1.00 63.94 C
ATOM 473 O VAL A 34 -16.411 -32.862 19.586 1.00 75.97 O
ATOM 474 CB VAL A 34 -14.017 -31.103 18.879 1.00 68.54 C
ATOM 475 CG1 VAL A 34 -14.616 -29.865 19.536 1.00 58.18 C
ATOM 476 CG2 VAL A 34 -12.576 -30.835 18.473 1.00 66.01 C
ATOM 477 H VAL A 34 -14.279 -33.906 18.680 1.00 86.31 H
ATOM 478 HA VAL A 34 -13.507 -32.145 20.584 1.00 74.89 H
ATOM 479 HB VAL A 34 -14.526 -31.296 18.076 1.00 82.25 H
ATOM 480 HG11 VAL A 34 -14.557 -29.120 18.917 1.00 69.81 H
ATOM 481 HG12 VAL A 34 -15.544 -30.042 19.754 1.00 69.81 H
ATOM 482 HG13 VAL A 34 -14.118 -29.665 20.344 1.00 69.81 H
ATOM 483 HG21 VAL A 34 -12.553 -30.069 17.878 1.00 79.21 H
ATOM 484 HG22 VAL A 34 -12.053 -30.652 19.269 1.00 79.21 H
ATOM 485 HG23 VAL A 34 -12.226 -31.617 18.019 1.00 79.21 H
ATOM 486 N SER A 35 -15.698 -32.259 21.645 1.00 63.47 N
ATOM 487 CA SER A 35 -17.007 -32.350 22.273 1.00 67.17 C
ATOM 488 C SER A 35 -17.484 -31.043 22.887 1.00 60.42 C
ATOM 489 O SER A 35 -18.686 -30.905 23.135 1.00 71.65 O
ATOM 490 CB SER A 35 -17.003 -33.430 23.368 1.00 86.93 C
ATOM 491 OG SER A 35 -16.039 -33.141 24.365 1.00 85.00 O
ATOM 492 H SER A 35 -15.071 -32.032 22.188 1.00 76.17 H
ATOM 493 HA SER A 35 -17.655 -32.613 21.601 1.00 80.60 H
ATOM 494 HB2 SER A 35 -17.881 -33.465 23.779 1.00104.32 H
ATOM 495 HB3 SER A 35 -16.792 -34.287 22.965 1.00104.32 H
ATOM 496 HG SER A 35 -16.048 -33.738 24.955 1.00102.00 H
ATOM 497 N ASP A 36 -16.592 -30.093 23.137 1.00 58.74 N
ATOM 498 CA ASP A 36 -16.987 -28.800 23.677 1.00 59.19 C
ATOM 499 C ASP A 36 -18.006 -28.142 22.750 1.00 59.40 C
ATOM 500 O ASP A 36 -17.703 -27.931 21.567 1.00 52.32 O
ATOM 501 CB ASP A 36 -15.765 -27.901 23.837 1.00 62.37 C
ATOM 502 CG ASP A 36 -16.104 -26.559 24.457 1.00 68.19 C
ATOM 503 OD1 ASP A 36 -16.877 -26.534 25.436 1.00 85.11 O
ATOM 504 OD2 ASP A 36 -15.601 -25.529 23.963 1.00 69.08 O
ATOM 505 H ASP A 36 -15.747 -30.173 23.002 1.00 70.48 H
ATOM 506 HA ASP A 36 -17.396 -28.923 24.548 1.00 71.03 H
ATOM 507 HB2 ASP A 36 -15.120 -28.343 24.411 1.00 74.85 H
ATOM 508 HB3 ASP A 36 -15.375 -27.738 22.964 1.00 74.85 H
ATOM 509 N PRO A 37 -19.206 -27.800 23.230 1.00 65.77 N
ATOM 510 CA PRO A 37 -20.217 -27.243 22.314 1.00 69.70 C
ATOM 511 C PRO A 37 -19.807 -25.927 21.677 1.00 66.38 C
ATOM 512 O PRO A 37 -20.236 -25.640 20.553 1.00 56.58 O
ATOM 513 CB PRO A 37 -21.453 -27.082 23.212 1.00 71.74 C
ATOM 514 CG PRO A 37 -20.918 -27.024 24.600 1.00 76.25 C
ATOM 515 CD PRO A 37 -19.712 -27.907 24.609 1.00 68.14 C
ATOM 516 HA PRO A 37 -20.418 -27.883 21.613 1.00 83.64 H
ATOM 517 HB2 PRO A 37 -21.915 -26.259 22.988 1.00 86.09 H
ATOM 518 HB3 PRO A 37 -22.039 -27.847 23.102 1.00 86.09 H
ATOM 519 HG2 PRO A 37 -20.673 -26.111 24.816 1.00 91.50 H
ATOM 520 HG3 PRO A 37 -21.587 -27.354 25.220 1.00 91.50 H
ATOM 521 HD2 PRO A 37 -19.053 -27.574 25.238 1.00 81.77 H
ATOM 522 HD3 PRO A 37 -19.964 -28.822 24.807 1.00 81.77 H
ATOM 523 N ASP A 38 -18.997 -25.112 22.355 1.00 55.63 N
ATOM 524 CA ASP A 38 -18.509 -23.882 21.740 1.00 54.83 C
ATOM 525 C ASP A 38 -17.540 -24.190 20.605 1.00 59.98 C
ATOM 526 O ASP A 38 -17.654 -23.632 19.507 1.00 50.14 O
ATOM 527 CB ASP A 38 -17.839 -22.993 22.789 1.00 61.62 C
ATOM 528 CG ASP A 38 -18.831 -22.137 23.553 1.00 78.65 C
ATOM 529 OD1 ASP A 38 -19.937 -21.887 23.030 1.00 92.23 O
ATOM 530 OD2 ASP A 38 -18.499 -21.705 24.677 1.00 97.54 O
ATOM 531 H ASP A 38 -18.721 -25.247 23.158 1.00 66.76 H
ATOM 532 HA ASP A 38 -19.261 -23.394 21.369 1.00 65.79 H
ATOM 533 HB2 ASP A 38 -17.373 -23.555 23.428 1.00 73.94 H
ATOM 534 HB3 ASP A 38 -17.210 -22.401 22.347 1.00 73.94 H
ATOM 535 N ALA A 39 -16.579 -25.082 20.852 1.00 46.76 N
ATOM 536 CA ALA A 39 -15.616 -25.435 19.816 1.00 54.80 C
ATOM 537 C ALA A 39 -16.311 -26.049 18.607 1.00 43.23 C
ATOM 538 O ALA A 39 -15.895 -25.826 17.463 1.00 52.81 O
ATOM 539 CB ALA A 39 -14.569 -26.396 20.379 1.00 51.52 C
ATOM 540 H ALA A 39 -16.466 -25.490 21.601 1.00 56.11 H
ATOM 541 HA ALA A 39 -15.159 -24.631 19.523 1.00 65.76 H
ATOM 542 HB1 ALA A 39 -13.937 -26.620 19.678 1.00 61.82 H
ATOM 543 HB2 ALA A 39 -14.108 -25.964 21.115 1.00 61.82 H
ATOM 544 HB3 ALA A 39 -15.014 -27.199 20.693 1.00 61.82 H
ATOM 545 N LYS A 40 -17.374 -26.824 18.838 1.00 44.47 N
ATOM 546 CA LYS A 40 -18.084 -27.453 17.728 1.00 47.04 C
ATOM 547 C LYS A 40 -18.665 -26.408 16.781 1.00 46.41 C
ATOM 548 O LYS A 40 -18.713 -26.623 15.565 1.00 47.86 O
ATOM 549 CB LYS A 40 -19.187 -28.373 18.256 1.00 52.91 C
ATOM 550 CG LYS A 40 -18.668 -29.615 18.964 1.00 59.86 C
ATOM 551 CD LYS A 40 -19.693 -30.745 18.981 1.00 67.21 C