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6w63_em_minimized.pdb
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6w63_em_minimized.pdb
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REMARK File generated by Swiss-PdbViewer 4.00b0
REMARK http://www.expasy.org/spdbv/
HEADER VIRAL PROTEIN/INHIBITOR 16-MAR-20 6W63
TITLE STRUCTURE OF COVID-19 MAIN PROTEASE BOUND TO POTENT BROAD-SPECTRUM
TITLE 2 NON-COVALENT INHIBITOR X77
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 3C-LIKE PROTEINASE;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: 3CL-PRO, 3CLP;
COMPND 5 EC: 3.4.22.69;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS
SOURCE 3 2;
SOURCE 4 ORGANISM_COMMON: 2019-NCOV;
SOURCE 5 ORGANISM_TAXID: 2697049;
SOURCE 6 GENE: REP, 1A-1B;
SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)
KEYWDS COVID-19, SARS, SARS-COV-2, SARS-COV, MAIN PROTEASE, 3C-LIKE
KEYWDS 2 PROTEASE, 3CL PROTEASE, 3CLPRO, MPRO, BROAD-SPECTRUM, INHIBITOR,
KEYWDS 3 PROTEINASE, NON-COVALENT, REVERSIBLE, STRUCTURAL GENOMICS, CENTER
KEYWDS 4 FOR STRUCTURAL GENOMICS OF INFECTIOUS DISEASES, CSGID, ANTIVIRAL
KEYWDS 5 PROTEIN, VIRAL PROTEIN-INHIBITOR COMPLEX
EXPDTA X-RAY DIFFRACTION
AUTHOR A.D.MESECAR,CENTER FOR STRUCTURAL GENOMICS OF INFECTIOUS DISEASES
AUTHOR 2 (CSGID)
REVDAT 3 18-OCT-23 6W63 1 REMARK
REVDAT 2 06-MAY-20 6W63 1 COMPND SOURCE DBREF
REVDAT 1 25-MAR-20 6W63 0
REMARK 2
REMARK 2 RESOLUTION. 2.10 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PHENIX 1.13_2998
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) : 2.10
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.91
REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.350
REMARK 3 COMPLETENESS FOR RANGE (%) : 99.2
REMARK 3 NUMBER OF REFLECTIONS : 18507
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 R VALUE (WORKING + TEST SET) : 0.157
REMARK 3 R VALUE (WORKING SET) : 0.150
REMARK 3 FREE R VALUE : 0.221
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.010
REMARK 3 FREE R VALUE TEST SET COUNT : 1852
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 40.9100 - 4.9300 0.99 1393 157 0.1517 0.2062
REMARK 3 2 4.9300 - 3.9200 0.99 1322 147 0.1139 0.1570
REMARK 3 3 3.9200 - 3.4200 1.00 1297 144 0.1333 0.1951
REMARK 3 4 3.4200 - 3.1100 1.00 1298 144 0.1532 0.2316
REMARK 3 5 3.1100 - 2.8900 1.00 1278 141 0.1646 0.2308
REMARK 3 6 2.8900 - 2.7200 1.00 1300 145 0.1737 0.3322
REMARK 3 7 2.7200 - 2.5800 1.00 1262 141 0.1713 0.2516
REMARK 3 8 2.5800 - 2.4700 1.00 1278 141 0.1598 0.2497
REMARK 3 9 2.4700 - 2.3700 1.00 1259 141 0.1555 0.2286
REMARK 3 10 2.3700 - 2.2900 1.00 1274 140 0.1588 0.2461
REMARK 3 11 2.2900 - 2.2200 1.00 1265 141 0.1581 0.2417
REMARK 3 12 2.2200 - 2.1600 0.98 1234 137 0.1685 0.2654
REMARK 3 13 2.1600 - 2.1000 0.94 1195 133 0.1854 0.2436
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) : 0.205
REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 20.857
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 25.80
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 33.57
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 : 0.011 2448
REMARK 3 ANGLE : 1.094 3329
REMARK 3 CHIRALITY : 0.057 372
REMARK 3 PLANARITY : 0.008 431
REMARK 3 DIHEDRAL : 15.084 1424
REMARK 3
REMARK 3 TLS DETAILS
REMARK 3 NUMBER OF TLS GROUPS : 1
REMARK 3 TLS GROUP : 1
REMARK 3 SELECTION: ALL
REMARK 3 ORIGIN FOR THE GROUP (A): -2.2957 18.9092 -26.0227
REMARK 3 T TENSOR
REMARK 3 T11: 0.1252 T22: 0.1215
REMARK 3 T33: 0.1310 T12: -0.0005
REMARK 3 T13: 0.0105 T23: -0.0018
REMARK 3 L TENSOR
REMARK 3 L11: 0.5120 L22: 0.1053
REMARK 3 L33: 0.4330 L12: 0.0651
REMARK 3 L13: 0.4390 L23: -0.0145
REMARK 3 S TENSOR
REMARK 3 S11: -0.0185 S12: 0.0001 S13: -0.0445
REMARK 3 S21: -0.0061 S22: 0.0178 S23: 0.0150
REMARK 3 S31: 0.0328 S32: -0.0025 S33: 0.0001
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 6W63 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-MAR-20.
REMARK 100 THE DEPOSITION ID IS D_1000247699.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 15-FEB-20
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : NULL
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : APS
REMARK 200 BEAMLINE : 21-ID-G
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.978
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 300 MM CCD
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000
REMARK 200 DATA SCALING SOFTWARE : HKL-2000
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 18549
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100
REMARK 200 RESOLUTION RANGE LOW (A) : 100.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 99.3
REMARK 200 DATA REDUNDANCY : 8.500
REMARK 200 R MERGE (I) : NULL
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 17.2000
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) : 2.14
REMARK 200 COMPLETENESS FOR SHELL (%) : 94.0
REMARK 200 DATA REDUNDANCY IN SHELL : 5.70
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : 2.200
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: PHENIX
REMARK 200 STARTING MODEL: 6LU7
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 45.71
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.27
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 3 MM DTT, 1% MPD, 80MM KCL, 50 MM MES
REMARK 280 PH 6.0, 16% PEG 10K 2UL PROTEIN ( 125 UM 3CLPRO, 25 MM HEPES PH
REMARK 280 7.5, 2.5 MM DTT, 1% DMSO, 400 UM 077) + 1 UL RESERVOIR, VAPOR
REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 294K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,-Y,Z
REMARK 290 3555 -X+1/2,Y+1/2,-Z
REMARK 290 4555 X+1/2,-Y+1/2,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 22.52500
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 31.92000
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 22.52500
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 31.92000
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 3160 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 25040 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -15.0 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 -1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 63.84000
REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000
REMARK 375
REMARK 375 SPECIAL POSITION
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL
REMARK 375 POSITIONS.
REMARK 375
REMARK 375 ATOM RES CSSEQI
REMARK 375 HOH A 543 LIES ON A SPECIAL POSITION.
REMARK 375 HOH A 699 LIES ON A SPECIAL POSITION.
REMARK 375 HOH A 713 LIES ON A SPECIAL POSITION.
REMARK 375 HOH A 769 LIES ON A SPECIAL POSITION.
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 306
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 H ALA A 193 O HOH A 505 1.48
REMARK 500 OD1 ASP A 155 O HOH A 501 2.02
REMARK 500 O HOH A 732 O HOH A 757 2.04
REMARK 500 O HOH A 644 O HOH A 727 2.08
REMARK 500 O HOH A 614 O HOH A 652 2.11
REMARK 500 OE2 GLU A 240 O HOH A 502 2.12
REMARK 500 OE1 GLU A 55 O HOH A 503 2.14
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
REMARK 500
REMARK 500 DISTANCE CUTOFF:
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE
REMARK 500 O HOH A 592 O HOH A 666 4554 1.98
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 CYS A 44 CB CYS A 44 SG -0.106
REMARK 500 CYS A 128 CB CYS A 128 SG -0.109
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 ASP A 33 -128.50 48.84
REMARK 500 ASN A 51 72.32 -152.85
REMARK 500 ASN A 84 -124.79 50.39
REMARK 500 TYR A 154 -101.14 76.01
REMARK 500
REMARK 500 REMARK: NULL
REMARK 525
REMARK 525 SOLVENT
REMARK 525
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
REMARK 525 NUMBER; I=INSERTION CODE):
REMARK 525
REMARK 525 M RES CSSEQI
REMARK 525 HOH A 781 DISTANCE = 6.26 ANGSTROMS
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue X77 A 401
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: CSGID-51000.103 RELATED DB: TARGETTRACK
DBREF 6W63 A 1 306 UNP P0DTD1 R1AB_SARS2 3264 3569
CRYST1 45.050 63.840 106.588 90.00 90.00 90.00 P 21 21 2 4
ATOM 1 N SER A 1 15.716 38.064 -22.369 1.00 39.55
ATOM 2 CA SER A 1 15.213 37.357 -21.160 1.00 26.86
ATOM 3 C SER A 1 13.671 37.428 -21.031 1.00 25.13
ATOM 4 O SER A 1 12.988 37.905 -21.941 1.00 21.95
ATOM 5 CB SER A 1 15.914 37.871 -19.891 1.00 43.51
ATOM 6 OG SER A 1 15.778 39.291 -19.742 1.00 44.46
ATOM 7 1H SER A 1 14.931 38.457 -22.847 1.00 99.99
ATOM 8 HG SER A 1 16.250 39.585 -18.910 1.00 99.99
ATOM 9 2H SER A 1 16.352 38.776 -22.118 1.00 99.99
ATOM 10 3H SER A 1 16.214 37.460 -22.962 1.00 99.99
ATOM 11 N GLY A 2 13.139 36.925 -19.914 1.00 21.77
ATOM 12 CA GLY A 2 11.687 36.758 -19.715 1.00 26.23
ATOM 13 C GLY A 2 11.280 35.307 -20.013 1.00 21.76
ATOM 14 O GLY A 2 12.076 34.494 -20.490 1.00 26.30
ATOM 15 H GLY A 2 13.686 36.570 -19.133 1.00 99.99
ATOM 16 N PHE A 3 10.088 34.971 -19.543 1.00 24.77
ATOM 17 CA PHE A 3 9.509 33.637 -19.790 1.00 29.60
ATOM 18 C PHE A 3 7.984 33.728 -19.875 1.00 28.96
ATOM 19 O PHE A 3 7.324 34.253 -18.980 1.00 33.78
ATOM 20 CB PHE A 3 9.939 32.697 -18.668 1.00 28.47
ATOM 21 CG PHE A 3 9.916 31.245 -19.156 1.00 33.75
ATOM 22 CD1 PHE A 3 10.913 30.801 -20.003 1.00 29.96
ATOM 23 CD2 PHE A 3 8.937 30.381 -18.698 1.00 24.72
ATOM 24 CE1 PHE A 3 10.947 29.471 -20.400 1.00 36.09
ATOM 25 CE2 PHE A 3 8.961 29.050 -19.094 1.00 28.56
ATOM 26 CZ PHE A 3 9.968 28.589 -19.943 1.00 24.59
ATOM 27 H PHE A 3 9.530 35.579 -18.983 1.00 99.99
ATOM 28 HD1 PHE A 3 11.657 31.509 -20.384 1.00 99.99
ATOM 29 HD2 PHE A 3 8.168 30.740 -18.014 1.00 99.99
ATOM 30 HE1 PHE A 3 11.761 29.107 -21.025 1.00 99.99
ATOM 31 HE2 PHE A 3 8.193 28.369 -18.742 1.00 99.99
ATOM 32 HZ PHE A 3 10.034 27.533 -20.184 1.00 99.99
ATOM 33 N ARG A 4 7.469 33.201 -20.970 1.00 25.67
ATOM 34 CA ARG A 4 6.032 33.264 -21.294 1.00 23.55
ATOM 35 C ARG A 4 5.546 31.909 -21.809 1.00 27.05
ATOM 36 O ARG A 4 6.316 31.084 -22.301 1.00 18.26
ATOM 37 CB ARG A 4 5.799 34.327 -22.374 1.00 25.69
ATOM 38 CG ARG A 4 5.866 35.775 -21.872 1.00 36.07
ATOM 39 CD ARG A 4 4.481 36.248 -21.429 1.00 40.40
ATOM 40 NE ARG A 4 4.484 37.689 -21.110 1.00 48.64
ATOM 41 CZ ARG A 4 3.491 38.343 -20.496 1.00 33.50
ATOM 42 NH1 ARG A 4 2.393 37.711 -20.103 1.00 42.15
ATOM 43 NH2 ARG A 4 3.580 39.641 -20.251 1.00 30.56
ATOM 44 H ARG A 4 8.034 32.683 -21.626 1.00 99.99
ATOM 45 HE ARG A 4 5.288 38.200 -21.405 1.00 99.99
ATOM 46 1HH1 ARG A 4 1.659 38.200 -19.639 1.00 99.99
ATOM 47 2HH1 ARG A 4 2.323 36.731 -20.280 1.00 99.99
ATOM 48 1HH2 ARG A 4 2.826 40.102 -19.786 1.00 99.99
ATOM 49 2HH2 ARG A 4 4.387 40.160 -20.526 1.00 99.99
ATOM 50 N LYS A 5 4.274 31.642 -21.555 1.00 22.11
ATOM 51 CA LYS A 5 3.575 30.544 -22.251 1.00 25.57
ATOM 52 C LYS A 5 3.511 30.885 -23.750 1.00 18.74
ATOM 53 O LYS A 5 2.791 31.783 -24.181 1.00 30.86
ATOM 54 CB LYS A 5 2.192 30.365 -21.633 1.00 37.63
ATOM 55 CG LYS A 5 1.724 28.923 -21.824 1.00 53.53
ATOM 56 CD LYS A 5 1.018 28.445 -20.557 1.00 55.62
ATOM 57 CE LYS A 5 1.844 27.380 -19.833 1.00 52.04
ATOM 58 NZ LYS A 5 1.207 27.048 -18.555 1.00 60.07
ATOM 59 H LYS A 5 3.761 32.107 -20.838 1.00 99.99
ATOM 60 HZ1 LYS A 5 1.715 26.323 -18.098 1.00 99.99
ATOM 61 HZ2 LYS A 5 1.191 27.866 -17.978 1.00 99.99
ATOM 62 HZ3 LYS A 5 0.264 26.754 -18.726 1.00 99.99
ATOM 63 N MET A 6 4.413 30.245 -24.482 1.00 21.91
ATOM 64 CA MET A 6 4.667 30.555 -25.899 1.00 22.60
ATOM 65 C MET A 6 4.172 29.387 -26.752 1.00 29.08
ATOM 66 O MET A 6 4.502 28.229 -26.497 1.00 20.25
ATOM 67 CB MET A 6 6.177 30.745 -26.052 1.00 23.13
ATOM 68 CG MET A 6 6.612 31.193 -27.451 1.00 33.71
ATOM 69 SD MET A 6 8.396 31.593 -27.522 1.00 49.44
ATOM 70 CE MET A 6 8.472 32.954 -26.373 1.00 37.49
ATOM 71 H MET A 6 4.941 29.478 -24.131 1.00 99.99
ATOM 72 N ALA A 7 3.341 29.745 -27.718 1.00 21.87
ATOM 73 CA ALA A 7 2.809 28.777 -28.692 1.00 22.69
ATOM 74 C ALA A 7 3.615 28.859 -29.992 1.00 21.13
ATOM 75 O ALA A 7 4.322 29.835 -30.251 1.00 18.97
ATOM 76 CB ALA A 7 1.340 29.109 -28.957 1.00 18.47
ATOM 77 H ALA A 7 3.086 30.695 -27.884 1.00 99.99
ATOM 78 N PHE A 8 3.584 27.767 -30.741 1.00 17.58
ATOM 79 CA PHE A 8 4.114 27.758 -32.117 1.00 17.77
ATOM 80 C PHE A 8 3.359 28.749 -33.014 1.00 18.67
ATOM 81 O PHE A 8 2.148 28.929 -32.842 1.00 20.71
ATOM 82 CB PHE A 8 4.011 26.368 -32.730 1.00 19.90
ATOM 83 CG PHE A 8 5.033 25.435 -32.072 1.00 22.94
ATOM 84 CD1 PHE A 8 6.369 25.544 -32.380 1.00 23.40
ATOM 85 CD2 PHE A 8 4.585 24.486 -31.176 1.00 23.46
ATOM 86 CE1 PHE A 8 7.263 24.681 -31.775 1.00 27.87
ATOM 87 CE2 PHE A 8 5.487 23.627 -30.561 1.00 26.87
ATOM 88 CZ PHE A 8 6.841 23.719 -30.865 1.00 27.04
ATOM 89 H PHE A 8 3.160 26.911 -30.428 1.00 99.99
ATOM 90 HD1 PHE A 8 6.726 26.313 -33.079 1.00 99.99
ATOM 91 HD2 PHE A 8 3.522 24.390 -30.971 1.00 99.99
ATOM 92 HE1 PHE A 8 8.311 24.709 -31.997 1.00 99.99
ATOM 93 HE2 PHE A 8 5.154 22.930 -29.805 1.00 99.99
ATOM 94 HZ PHE A 8 7.570 23.070 -30.399 1.00 99.99
ATOM 95 N PRO A 9 4.054 29.349 -33.992 1.00 19.39
ATOM 96 CA PRO A 9 3.401 30.212 -34.994 1.00 21.45
ATOM 97 C PRO A 9 2.391 29.316 -35.725 1.00 23.50
ATOM 98 O PRO A 9 2.686 28.173 -36.068 1.00 18.95
ATOM 99 CB PRO A 9 4.523 30.650 -35.938 1.00 26.70
ATOM 100 CG PRO A 9 5.799 30.472 -35.115 1.00 26.92
ATOM 101 CD PRO A 9 5.504 29.249 -34.249 1.00 29.21
ATOM 102 N SER A 10 1.199 29.848 -35.946 1.00 16.47
ATOM 103 CA SER A 10 0.050 29.036 -36.402 1.00 21.27
ATOM 104 C SER A 10 -0.289 29.168 -37.897 1.00 19.53
ATOM 105 O SER A 10 -1.195 28.482 -38.368 1.00 19.13
ATOM 106 CB SER A 10 -1.184 29.421 -35.584 1.00 17.87
ATOM 107 OG SER A 10 -1.378 30.831 -35.717 1.00 22.78
ATOM 108 H SER A 10 0.977 30.804 -35.753 1.00 99.99
ATOM 109 HG SER A 10 -2.288 31.098 -35.392 1.00 99.99
ATOM 110 N GLY A 11 0.532 29.925 -38.638 1.00 30.99
ATOM 111 CA GLY A 11 0.307 30.192 -40.080 1.00 26.35
ATOM 112 C GLY A 11 0.117 28.932 -40.944 1.00 26.35
ATOM 113 O GLY A 11 -0.866 28.834 -41.671 1.00 20.58
ATOM 114 H GLY A 11 1.287 30.467 -38.257 1.00 99.99
ATOM 115 N LYS A 12 0.917 27.906 -40.658 1.00 18.26
ATOM 116 CA LYS A 12 0.867 26.643 -41.431 1.00 21.27
ATOM 117 C LYS A 12 -0.431 25.854 -41.171 1.00 30.63
ATOM 118 O LYS A 12 -1.018 25.304 -42.094 1.00 25.47
ATOM 119 CB LYS A 12 2.075 25.762 -41.119 1.00 20.96
ATOM 120 CG LYS A 12 3.403 26.323 -41.638 1.00 27.15
ATOM 121 CD LYS A 12 4.526 25.394 -41.173 1.00 40.52
ATOM 122 CE LYS A 12 5.872 25.652 -41.856 1.00 52.09
ATOM 123 NZ LYS A 12 6.557 26.846 -41.349 1.00 67.84
ATOM 124 H LYS A 12 1.479 27.871 -39.835 1.00 99.99
ATOM 125 HZ1 LYS A 12 7.420 26.957 -41.846 1.00 99.99
ATOM 126 HZ2 LYS A 12 5.989 27.657 -41.490 1.00 99.99
ATOM 127 HZ3 LYS A 12 6.755 26.731 -40.375 1.00 99.99
ATOM 128 N VAL A 13 -0.929 25.937 -39.939 1.00 25.17
ATOM 129 CA VAL A 13 -2.181 25.247 -39.551 1.00 24.53
ATOM 130 C VAL A 13 -3.414 26.054 -40.016 1.00 15.82
ATOM 131 O VAL A 13 -4.384 25.467 -40.481 1.00 18.69
ATOM 132 CB VAL A 13 -2.221 24.943 -38.045 1.00 16.34
ATOM 133 CG1 VAL A 13 -3.491 24.178 -37.657 1.00 20.96
ATOM 134 CG2 VAL A 13 -1.016 24.096 -37.624 1.00 18.24
ATOM 135 H VAL A 13 -0.559 26.555 -39.248 1.00 99.99
ATOM 136 N GLU A 14 -3.341 27.381 -39.913 1.00 21.12
ATOM 137 CA GLU A 14 -4.404 28.290 -40.399 1.00 23.94
ATOM 138 C GLU A 14 -4.834 28.002 -41.852 1.00 22.29
ATOM 139 O GLU A 14 -6.019 27.780 -42.076 1.00 17.00
ATOM 140 CB GLU A 14 -3.973 29.754 -40.309 1.00 25.55
ATOM 141 CG GLU A 14 -3.840 30.257 -38.871 1.00 25.20
ATOM 142 CD GLU A 14 -3.282 31.683 -38.824 1.00 23.31
ATOM 143 OE1 GLU A 14 -3.849 32.564 -39.508 1.00 23.02
ATOM 144 OE2 GLU A 14 -2.318 31.880 -38.063 1.00 19.24
ATOM 145 H GLU A 14 -2.612 27.830 -39.388 1.00 99.99
ATOM 146 N GLY A 15 -3.842 27.727 -42.713 1.00 22.53
ATOM 147 CA GLY A 15 -4.093 27.411 -44.138 1.00 25.97
ATOM 148 C GLY A 15 -4.816 26.065 -44.356 1.00 20.83
ATOM 149 O GLY A 15 -5.193 25.741 -45.476 1.00 19.92
ATOM 150 H GLY A 15 -2.873 27.612 -42.461 1.00 99.99
ATOM 151 N CYS A 16 -4.969 25.289 -43.287 1.00 18.12
ATOM 152 CA CYS A 16 -5.583 23.948 -43.348 1.00 20.80
ATOM 153 C CYS A 16 -6.996 23.866 -42.745 1.00 20.19
ATOM 154 O CYS A 16 -7.611 22.805 -42.806 1.00 20.59
ATOM 155 CB CYS A 16 -4.686 22.943 -42.631 1.00 20.56
ATOM 156 SG CYS A 16 -3.032 22.758 -43.382 1.00 23.56
ATOM 157 H CYS A 16 -4.714 25.586 -42.363 1.00 99.99
ATOM 158 HG CYS A 16 -2.632 21.807 -42.542 1.00 99.99
ATOM 159 N MET A 17 -7.444 24.922 -42.074 1.00 24.47
ATOM 160 CA MET A 17 -8.766 24.908 -41.413 1.00 20.50
ATOM 161 C MET A 17 -9.921 25.167 -42.385 1.00 16.51
ATOM 162 O MET A 17 -9.881 26.084 -43.203 1.00 18.75
ATOM 163 CB MET A 17 -8.805 25.913 -40.259 1.00 20.11
ATOM 164 CG MET A 17 -7.731 25.626 -39.201 1.00 22.29
ATOM 165 SD MET A 17 -7.669 23.903 -38.576 1.00 20.86
ATOM 166 CE MET A 17 -9.315 23.680 -37.933 1.00 19.22
ATOM 167 H MET A 17 -6.946 25.785 -41.990 1.00 99.99
ATOM 168 N VAL A 18 -10.873 24.249 -42.337 1.00 19.40
ATOM 169 CA VAL A 18 -12.137 24.365 -43.094 1.00 23.22
ATOM 170 C VAL A 18 -13.323 24.212 -42.132 1.00 17.34
ATOM 171 O VAL A 18 -13.187 23.753 -40.997 1.00 16.32
ATOM 172 CB VAL A 18 -12.239 23.369 -44.266 1.00 17.86
ATOM 173 CG1 VAL A 18 -11.154 23.615 -45.315 1.00 22.05
ATOM 174 CG2 VAL A 18 -12.208 21.903 -43.824 1.00 23.32
ATOM 175 H VAL A 18 -10.804 23.433 -41.759 1.00 99.99
ATOM 176 N GLN A 19 -14.476 24.547 -42.673 1.00 17.02
ATOM 177 CA GLN A 19 -15.768 24.366 -41.998 1.00 26.25
ATOM 178 C GLN A 19 -16.455 23.137 -42.609 1.00 21.80
ATOM 179 O GLN A 19 -16.488 22.974 -43.829 1.00 26.80
ATOM 180 CB GLN A 19 -16.535 25.640 -42.309 1.00 27.13
ATOM 181 CG GLN A 19 -17.929 25.681 -41.693 1.00 30.46
ATOM 182 CD GLN A 19 -18.607 27.018 -41.965 1.00 34.59
ATOM 183 OE1 GLN A 19 -18.136 27.912 -42.665 1.00 43.90
ATOM 184 NE2 GLN A 19 -19.742 27.206 -41.342 1.00 38.23
ATOM 185 H GLN A 19 -14.534 24.984 -43.574 1.00 99.99
ATOM 186 1HE2 GLN A 19 -20.200 28.067 -41.514 1.00 99.99
ATOM 187 2HE2 GLN A 19 -20.125 26.480 -40.781 1.00 99.99
ATOM 188 N VAL A 20 -16.960 22.292 -41.724 1.00 27.63
ATOM 189 CA VAL A 20 -17.704 21.081 -42.132 1.00 18.93
ATOM 190 C VAL A 20 -19.110 21.166 -41.523 1.00 25.29
ATOM 191 O VAL A 20 -19.273 21.358 -40.317 1.00 22.69
ATOM 192 CB VAL A 20 -16.981 19.789 -41.706 1.00 23.84
ATOM 193 CG1 VAL A 20 -17.716 18.542 -42.213 1.00 18.90
ATOM 194 CG2 VAL A 20 -15.540 19.745 -42.225 1.00 19.54
ATOM 195 H VAL A 20 -16.882 22.436 -40.731 1.00 99.99
ATOM 196 N THR A 21 -20.084 21.080 -42.413 1.00 25.76
ATOM 197 CA THR A 21 -21.512 21.117 -42.042 1.00 28.18
ATOM 198 C THR A 21 -22.177 19.823 -42.527 1.00 35.75
ATOM 199 O THR A 21 -21.937 19.361 -43.643 1.00 28.71
ATOM 200 CB THR A 21 -22.189 22.358 -42.646 1.00 34.23
ATOM 201 OG1 THR A 21 -21.516 23.527 -42.166 1.00 32.58
ATOM 202 CG2 THR A 21 -23.688 22.452 -42.327 1.00 35.79
ATOM 203 H THR A 21 -19.903 20.986 -43.399 1.00 99.99
ATOM 204 HG1 THR A 21 -20.926 23.261 -41.401 1.00 99.99
ATOM 205 N CYS A 22 -23.001 19.292 -41.636 1.00 35.75
ATOM 206 CA CYS A 22 -23.809 18.087 -41.897 1.00 24.56
ATOM 207 C CYS A 22 -25.133 18.267 -41.134 1.00 43.34
ATOM 208 O CYS A 22 -25.150 18.375 -39.908 1.00 39.66
ATOM 209 CB CYS A 22 -23.031 16.863 -41.417 1.00 26.48
ATOM 210 SG CYS A 22 -23.578 15.296 -42.184 1.00 54.57
ATOM 211 H CYS A 22 -23.134 19.703 -40.729 1.00 99.99
ATOM 212 HG CYS A 22 -22.695 14.540 -41.538 1.00 99.99
ATOM 213 N GLY A 23 -26.190 18.503 -41.916 1.00 43.87
ATOM 214 CA GLY A 23 -27.500 18.938 -41.375 1.00 36.29
ATOM 215 C GLY A 23 -27.395 20.322 -40.701 1.00 50.69
ATOM 216 O GLY A 23 -26.993 21.294 -41.329 1.00 62.11
ATOM 217 H GLY A 23 -26.193 18.341 -42.909 1.00 99.99
ATOM 218 N THR A 24 -27.692 20.342 -39.408 1.00 60.68
ATOM 219 CA THR A 24 -27.658 21.583 -38.587 1.00 71.42
ATOM 220 C THR A 24 -26.305 21.812 -37.877 1.00 59.80
ATOM 221 O THR A 24 -26.005 22.911 -37.418 1.00 61.06
ATOM 222 CB THR A 24 -28.825 21.617 -37.584 1.00 78.55
ATOM 223 OG1 THR A 24 -28.848 22.878 -36.905 1.00 69.96
ATOM 224 CG2 THR A 24 -28.807 20.457 -36.577 1.00 86.10
ATOM 225 H THR A 24 -27.896 19.508 -38.902 1.00 99.99
ATOM 226 HG1 THR A 24 -29.572 22.899 -36.221 1.00 99.99
ATOM 227 N THR A 25 -25.563 20.728 -37.680 1.00 40.45
ATOM 228 CA THR A 25 -24.279 20.785 -36.954 1.00 39.03
ATOM 229 C THR A 25 -23.184 21.322 -37.888 1.00 24.50
ATOM 230 O THR A 25 -22.946 20.785 -38.970 1.00 30.92
ATOM 231 CB THR A 25 -23.894 19.395 -36.422 1.00 42.61
ATOM 232 OG1 THR A 25 -25.012 18.809 -35.744 1.00 44.66
ATOM 233 CG2 THR A 25 -22.719 19.479 -35.439 1.00 44.59
ATOM 234 H THR A 25 -25.786 19.825 -38.041 1.00 99.99
ATOM 235 HG1 THR A 25 -24.763 17.877 -35.460 1.00 99.99
ATOM 236 N THR A 26 -22.490 22.326 -37.373 1.00 23.62
ATOM 237 CA THR A 26 -21.249 22.830 -37.996 1.00 20.81
ATOM 238 C THR A 26 -20.125 22.633 -36.975 1.00 23.60
ATOM 239 O THR A 26 -20.314 22.827 -35.776 1.00 28.11
ATOM 240 CB THR A 26 -21.350 24.311 -38.402 1.00 30.43
ATOM 241 OG1 THR A 26 -22.280 24.420 -39.477 1.00 41.56
ATOM 242 CG2 THR A 26 -20.021 24.936 -38.851 1.00 42.31
ATOM 243 H THR A 26 -22.716 22.736 -36.491 1.00 99.99
ATOM 244 HG1 THR A 26 -22.333 25.364 -39.803 1.00 99.99
ATOM 245 N LEU A 27 -18.991 22.206 -37.501 1.00 17.17
ATOM 246 CA LEU A 27 -17.726 22.261 -36.752 1.00 23.77
ATOM 247 C LEU A 27 -16.542 22.443 -37.719 1.00 20.27
ATOM 248 O LEU A 27 -16.738 22.692 -38.910 1.00 22.31
ATOM 249 CB LEU A 27 -17.654 21.053 -35.793 1.00 22.20
ATOM 250 CG LEU A 27 -17.326 19.626 -36.271 1.00 26.84
ATOM 251 CD1 LEU A 27 -18.177 18.642 -35.469 1.00 29.43
ATOM 252 CD2 LEU A 27 -17.441 19.347 -37.772 1.00 18.72
ATOM 253 H LEU A 27 -18.940 21.813 -38.428 1.00 99.99
ATOM 254 N ASN A 28 -15.336 22.272 -37.199 1.00 11.52
ATOM 255 CA ASN A 28 -14.109 22.470 -37.993 1.00 16.88
ATOM 256 C ASN A 28 -13.541 21.148 -38.531 1.00 14.10
ATOM 257 O ASN A 28 -13.695 20.084 -37.931 1.00 16.55
ATOM 258 CB ASN A 28 -13.038 23.169 -37.157 1.00 20.59
ATOM 259 CG ASN A 28 -13.543 24.459 -36.501 1.00 22.12
ATOM 260 OD1 ASN A 28 -13.729 25.502 -37.113 1.00 17.98
ATOM 261 ND2 ASN A 28 -13.848 24.366 -35.235 1.00 17.98
ATOM 262 H ASN A 28 -15.193 22.059 -36.231 1.00 99.99
ATOM 263 1HD2 ASN A 28 -14.177 25.184 -34.759 1.00 99.99
ATOM 264 2HD2 ASN A 28 -13.738 23.504 -34.743 1.00 99.99
ATOM 265 N GLY A 29 -12.843 21.307 -39.653 1.00 21.65
ATOM 266 CA GLY A 29 -12.133 20.213 -40.340 1.00 20.18
ATOM 267 C GLY A 29 -10.709 20.656 -40.695 1.00 19.23
ATOM 268 O GLY A 29 -10.438 21.846 -40.860 1.00 23.71
ATOM 269 H GLY A 29 -12.690 22.213 -40.080 1.00 99.99
ATOM 270 N LEU A 30 -9.849 19.661 -40.845 1.00 11.79
ATOM 271 CA LEU A 30 -8.440 19.854 -41.242 1.00 19.36
ATOM 272 C LEU A 30 -8.264 19.301 -42.660 1.00 19.48
ATOM 273 O LEU A 30 -8.510 18.120 -42.912 1.00 22.66
ATOM 274 CB LEU A 30 -7.543 19.103 -40.249 1.00 17.94
ATOM 275 CG LEU A 30 -6.042 19.354 -40.439 1.00 20.32
ATOM 276 CD1 LEU A 30 -5.632 20.732 -39.913 1.00 18.23
ATOM 277 CD2 LEU A 30 -5.247 18.260 -39.728 1.00 26.50
ATOM 278 H LEU A 30 -10.129 18.710 -40.686 1.00 99.99
ATOM 279 N TRP A 31 -7.781 20.168 -43.537 1.00 17.25
ATOM 280 CA TRP A 31 -7.668 19.902 -44.979 1.00 12.37
ATOM 281 C TRP A 31 -6.196 19.747 -45.382 1.00 20.01
ATOM 282 O TRP A 31 -5.424 20.706 -45.384 1.00 20.48
ATOM 283 CB TRP A 31 -8.336 21.063 -45.716 1.00 14.92
ATOM 284 CG TRP A 31 -8.345 20.917 -47.249 1.00 22.50
ATOM 285 CD1 TRP A 31 -8.316 19.781 -47.951 1.00 24.34
ATOM 286 CD2 TRP A 31 -8.431 21.927 -48.147 1.00 23.96
ATOM 287 NE1 TRP A 31 -8.382 20.033 -49.218 1.00 24.90
ATOM 288 CE2 TRP A 31 -8.463 21.383 -49.418 1.00 18.22
ATOM 289 CE3 TRP A 31 -8.488 23.349 -48.020 1.00 31.10
ATOM 290 CZ2 TRP A 31 -8.550 22.151 -50.531 1.00 21.87
ATOM 291 CZ3 TRP A 31 -8.541 24.123 -49.146 1.00 33.76
ATOM 292 CH2 TRP A 31 -8.571 23.551 -50.413 1.00 30.19
ATOM 293 H TRP A 31 -7.521 21.102 -43.269 1.00 99.99
ATOM 294 HD1 TRP A 31 -8.257 18.772 -47.501 1.00 99.99
ATOM 295 HE1 TRP A 31 -8.362 19.365 -49.975 1.00 99.99
ATOM 296 HE3 TRP A 31 -8.614 23.784 -47.034 1.00 99.99
ATOM 297 HZ2 TRP A 31 -8.759 21.714 -51.508 1.00 99.99
ATOM 298 HZ3 TRP A 31 -8.595 25.215 -49.043 1.00 99.99
ATOM 299 HH2 TRP A 31 -8.622 24.164 -51.305 1.00 99.99
ATOM 300 N LEU A 32 -5.822 18.492 -45.606 1.00 18.33
ATOM 301 CA LEU A 32 -4.449 18.122 -46.006 1.00 20.76
ATOM 302 C LEU A 32 -4.537 17.269 -47.278 1.00 19.67
ATOM 303 O LEU A 32 -5.326 16.327 -47.346 1.00 17.96
ATOM 304 CB LEU A 32 -3.758 17.313 -44.904 1.00 19.44
ATOM 305 CG LEU A 32 -3.665 18.021 -43.544 1.00 23.44
ATOM 306 CD1 LEU A 32 -3.158 17.021 -42.510 1.00 24.13
ATOM 307 CD2 LEU A 32 -2.719 19.223 -43.579 1.00 22.71
ATOM 308 H LEU A 32 -6.493 17.745 -45.633 1.00 99.99
ATOM 309 N ASP A 33 -3.759 17.652 -48.289 1.00 25.44
ATOM 310 CA ASP A 33 -3.902 17.111 -49.660 1.00 26.35
ATOM 311 C ASP A 33 -5.384 17.217 -50.086 1.00 23.96
ATOM 312 O ASP A 33 -5.988 18.268 -49.875 1.00 23.48
ATOM 313 CB ASP A 33 -3.279 15.703 -49.752 1.00 21.40
ATOM 314 CG ASP A 33 -1.773 15.686 -49.450 1.00 27.99
ATOM 315 OD1 ASP A 33 -1.124 16.739 -49.645 1.00 27.33
ATOM 316 OD2 ASP A 33 -1.287 14.592 -49.097 1.00 36.80
ATOM 317 H ASP A 33 -3.046 18.357 -48.188 1.00 99.99
ATOM 318 N ASP A 34 -6.026 16.123 -50.483 1.00 21.58
ATOM 319 CA ASP A 34 -7.454 16.154 -50.856 1.00 28.28
ATOM 320 C ASP A 34 -8.366 15.442 -49.836 1.00 26.63
ATOM 321 O ASP A 34 -9.389 14.867 -50.206 1.00 21.69
ATOM 322 CB ASP A 34 -7.610 15.590 -52.273 1.00 19.06
ATOM 323 CG ASP A 34 -7.236 14.111 -52.442 1.00 29.74
ATOM 324 OD1 ASP A 34 -6.520 13.560 -51.564 1.00 24.77
ATOM 325 OD2 ASP A 34 -7.547 13.611 -53.532 1.00 28.70
ATOM 326 H ASP A 34 -5.595 15.218 -50.514 1.00 99.99
ATOM 327 N VAL A 35 -7.958 15.466 -48.572 1.00 16.12
ATOM 328 CA VAL A 35 -8.740 14.846 -47.481 1.00 21.24
ATOM 329 C VAL A 35 -9.003 15.916 -46.406 1.00 18.70
ATOM 330 O VAL A 35 -8.117 16.686 -46.040 1.00 18.67
ATOM 331 CB VAL A 35 -8.008 13.633 -46.870 1.00 24.41
ATOM 332 CG1 VAL A 35 -8.889 12.898 -45.852 1.00 23.92
ATOM 333 CG2 VAL A 35 -7.554 12.617 -47.926 1.00 24.37
ATOM 334 H VAL A 35 -7.105 15.897 -48.268 1.00 99.99
ATOM 335 N VAL A 36 -10.238 15.900 -45.933 1.00 20.13
ATOM 336 CA VAL A 36 -10.679 16.711 -44.785 1.00 22.13
ATOM 337 C VAL A 36 -10.978 15.723 -43.648 1.00 16.74
ATOM 338 O VAL A 36 -11.764 14.792 -43.801 1.00 21.11
ATOM 339 CB VAL A 36 -11.908 17.560 -45.160 1.00 19.91
ATOM 340 CG1 VAL A 36 -12.484 18.302 -43.949 1.00 17.96
ATOM 341 CG2 VAL A 36 -11.551 18.594 -46.233 1.00 18.55
ATOM 342 H VAL A 36 -10.957 15.331 -46.349 1.00 99.99
ATOM 343 N TYR A 37 -10.300 15.963 -42.537 1.00 20.53
ATOM 344 CA TYR A 37 -10.441 15.153 -41.314 1.00 18.11
ATOM 345 C TYR A 37 -11.249 15.997 -40.324 1.00 17.27
ATOM 346 O TYR A 37 -10.954 17.177 -40.135 1.00 22.54
ATOM 347 CB TYR A 37 -9.063 14.872 -40.705 1.00 14.42
ATOM 348 CG TYR A 37 -8.086 14.154 -41.659 1.00 23.07
ATOM 349 CD1 TYR A 37 -7.423 14.883 -42.633 1.00 22.17
ATOM 350 CD2 TYR A 37 -7.805 12.815 -41.487 1.00 22.51
ATOM 351 CE1 TYR A 37 -6.486 14.267 -43.456 1.00 20.49
ATOM 352 CE2 TYR A 37 -6.864 12.185 -42.300 1.00 28.02
ATOM 353 CZ TYR A 37 -6.210 12.913 -43.295 1.00 19.48
ATOM 354 OH TYR A 37 -5.298 12.316 -44.095 1.00 26.42
ATOM 355 H TYR A 37 -9.661 16.736 -42.474 1.00 99.99
ATOM 356 HD1 TYR A 37 -7.621 15.944 -42.755 1.00 99.99
ATOM 357 HD2 TYR A 37 -8.294 12.248 -40.693 1.00 99.99
ATOM 358 HE1 TYR A 37 -5.964 14.853 -44.210 1.00 99.99
ATOM 359 HE2 TYR A 37 -6.605 11.146 -42.109 1.00 99.99
ATOM 360 HH TYR A 37 -5.263 11.338 -43.890 1.00 99.99
ATOM 361 N CYS A 38 -12.250 15.379 -39.714 1.00 18.89
ATOM 362 CA CYS A 38 -13.111 16.070 -38.732 1.00 22.30
ATOM 363 C CYS A 38 -13.747 15.040 -37.777 1.00 26.51
ATOM 364 O CYS A 38 -13.711 13.848 -38.074 1.00 23.10
ATOM 365 CB CYS A 38 -14.182 16.908 -39.446 1.00 20.50
ATOM 366 SG CYS A 38 -15.576 15.950 -40.140 1.00 23.89
ATOM 367 H CYS A 38 -12.461 14.411 -39.878 1.00 99.99
ATOM 368 HG CYS A 38 -16.275 17.020 -40.503 1.00 99.99
ATOM 369 N PRO A 39 -14.270 15.474 -36.617 1.00 21.33
ATOM 370 CA PRO A 39 -14.909 14.551 -35.664 1.00 16.06
ATOM 371 C PRO A 39 -16.129 13.897 -36.328 1.00 20.18
ATOM 372 O PRO A 39 -16.937 14.578 -36.958 1.00 28.43
ATOM 373 CB PRO A 39 -15.350 15.438 -34.500 1.00 21.77
ATOM 374 CG PRO A 39 -14.377 16.612 -34.557 1.00 16.94
ATOM 375 CD PRO A 39 -14.216 16.838 -36.057 1.00 17.10
ATOM 376 N ARG A 40 -16.292 12.604 -36.073 1.00 18.60
ATOM 377 CA ARG A 40 -17.421 11.843 -36.650 1.00 22.36
ATOM 378 C ARG A 40 -18.777 12.264 -36.059 1.00 21.47
ATOM 379 O ARG A 40 -19.805 12.140 -36.719 1.00 24.59
ATOM 380 CB ARG A 40 -17.239 10.324 -36.545 1.00 26.60
ATOM 381 CG ARG A 40 -17.265 9.776 -35.116 1.00 28.94
ATOM 382 CD ARG A 40 -17.295 8.252 -35.173 1.00 18.83
ATOM 383 NE ARG A 40 -17.273 7.667 -33.824 1.00 19.31
ATOM 384 CZ ARG A 40 -17.405 6.370 -33.534 1.00 24.25
ATOM 385 NH1 ARG A 40 -17.589 5.469 -34.490 1.00 26.14
ATOM 386 NH2 ARG A 40 -17.401 5.960 -32.274 1.00 24.82
ATOM 387 H ARG A 40 -15.727 12.100 -35.414 1.00 99.99
ATOM 388 HE ARG A 40 -17.133 8.319 -33.078 1.00 99.99
ATOM 389 1HH1 ARG A 40 -17.687 4.501 -34.281 1.00 99.99
ATOM 390 2HH1 ARG A 40 -17.593 5.791 -35.437 1.00 99.99
ATOM 391 1HH2 ARG A 40 -17.500 4.990 -32.071 1.00 99.99
ATOM 392 2HH2 ARG A 40 -17.289 6.622 -31.532 1.00 99.99
ATOM 393 N HIS A 41 -18.756 12.772 -34.825 1.00 19.20
ATOM 394 CA HIS A 41 -19.984 13.271 -34.169 1.00 25.48
ATOM 395 C HIS A 41 -20.709 14.408 -34.923 1.00 19.14
ATOM 396 O HIS A 41 -21.888 14.626 -34.662 1.00 23.61
ATOM 397 CB HIS A 41 -19.764 13.581 -32.688 1.00 23.31
ATOM 398 CG HIS A 41 -18.975 14.877 -32.423 1.00 19.51
ATOM 399 ND1 HIS A 41 -19.369 16.081 -32.783 1.00 23.40
ATOM 400 CD2 HIS A 41 -17.865 14.989 -31.708 1.00 22.30
ATOM 401 CE1 HIS A 41 -18.508 16.962 -32.283 1.00 22.79
ATOM 402 NE2 HIS A 41 -17.568 16.272 -31.620 1.00 21.37
ATOM 403 H HIS A 41 -17.961 12.706 -34.227 1.00 99.99
ATOM 404 HD1 HIS A 41 -16.809 16.681 -31.113 1.00 99.99
ATOM 405 N VAL A 42 -20.082 14.984 -35.960 1.00 22.29
ATOM 406 CA VAL A 42 -20.788 15.871 -36.915 1.00 26.59
ATOM 407 C VAL A 42 -22.058 15.229 -37.530 1.00 29.50
ATOM 408 O VAL A 42 -22.971 15.946 -37.925 1.00 24.90
ATOM 409 CB VAL A 42 -19.848 16.398 -38.019 1.00 28.83
ATOM 410 CG1 VAL A 42 -19.478 15.363 -39.089 1.00 21.31
ATOM 411 CG2 VAL A 42 -20.430 17.660 -38.667 1.00 29.59
ATOM 412 H VAL A 42 -19.090 14.943 -36.082 1.00 99.99
ATOM 413 N ILE A 43 -22.103 13.899 -37.583 1.00 29.07
ATOM 414 CA ILE A 43 -23.249 13.199 -38.207 1.00 34.71
ATOM 415 C ILE A 43 -24.366 12.887 -37.186 1.00 31.74
ATOM 416 O ILE A 43 -25.361 12.248 -37.517 1.00 34.03
ATOM 417 CB ILE A 43 -22.832 11.956 -39.019 1.00 26.64
ATOM 418 CG1 ILE A 43 -22.287 10.827 -38.127 1.00 32.34
ATOM 419 CG2 ILE A 43 -21.860 12.365 -40.139 1.00 23.24
ATOM 420 CD ILE A 43 -22.072 9.491 -38.847 1.00 34.58
ATOM 421 H ILE A 43 -21.470 13.311 -37.072 1.00 99.99
ATOM 422 N CYS A 44 -24.141 13.274 -35.930 1.00 38.89
ATOM 423 CA CYS A 44 -25.166 13.181 -34.876 1.00 35.26
ATOM 424 C CYS A 44 -26.216 14.287 -35.018 1.00 36.52
ATOM 425 O CYS A 44 -25.951 15.393 -35.484 1.00 43.68
ATOM 426 CB CYS A 44 -24.552 13.314 -33.484 1.00 42.15
ATOM 427 SG CYS A 44 -23.658 11.824 -32.924 1.00 52.07
ATOM 428 H CYS A 44 -23.311 13.765 -35.654 1.00 99.99
ATOM 429 HG CYS A 44 -23.355 12.333 -31.733 1.00 99.99
ATOM 430 N THR A 45 -27.394 13.952 -34.528 1.00 34.90
ATOM 431 CA THR A 45 -28.442 14.958 -34.269 1.00 45.23
ATOM 432 C THR A 45 -28.669 15.049 -32.754 1.00 47.05
ATOM 433 O THR A 45 -28.199 14.215 -31.977 1.00 40.95
ATOM 434 CB THR A 45 -29.764 14.626 -34.975 1.00 43.87
ATOM 435 OG1 THR A 45 -30.291 13.385 -34.490 1.00 52.10
ATOM 436 CG2 THR A 45 -29.631 14.698 -36.500 1.00 50.21
ATOM 437 H THR A 45 -27.652 13.006 -34.337 1.00 99.99
ATOM 438 HG1 THR A 45 -30.936 13.003 -35.162 1.00 99.99
ATOM 439 N SER A 46 -29.466 16.035 -32.369 1.00 56.71
ATOM 440 CA SER A 46 -29.929 16.179 -30.968 1.00 63.97
ATOM 441 C SER A 46 -30.687 14.945 -30.436 1.00 60.82
ATOM 442 O SER A 46 -30.693 14.695 -29.237 1.00 68.84
ATOM 443 CB SER A 46 -30.791 17.426 -30.782 1.00 80.22
ATOM 444 OG SER A 46 -31.983 17.332 -31.567 1.00 88.08
ATOM 445 H SER A 46 -29.753 16.765 -32.989 1.00 99.99
ATOM 446 HG SER A 46 -32.558 18.128 -31.360 1.00 99.99
ATOM 447 N GLU A 47 -31.201 14.132 -31.357 1.00 52.97
ATOM 448 CA GLU A 47 -31.918 12.876 -31.039 1.00 61.43
ATOM 449 C GLU A 47 -30.951 11.670 -30.912 1.00 57.40
ATOM 450 O GLU A 47 -31.379 10.571 -30.577 1.00 56.08
ATOM 451 CB GLU A 47 -32.929 12.538 -32.148 1.00 62.74
ATOM 452 CG GLU A 47 -33.577 13.705 -32.913 1.00 66.76
ATOM 453 CD GLU A 47 -34.582 14.595 -32.161 1.00 81.02
ATOM 454 OE1 GLU A 47 -34.842 14.341 -30.965 1.00 83.49
ATOM 455 OE2 GLU A 47 -35.097 15.509 -32.837 1.00 83.63
ATOM 456 H GLU A 47 -31.133 14.331 -32.334 1.00 99.99
ATOM 457 N ASP A 48 -29.656 11.887 -31.139 1.00 63.79
ATOM 458 CA ASP A 48 -28.672 10.792 -31.313 1.00 58.36
ATOM 459 C ASP A 48 -27.541 10.708 -30.273 1.00 40.67
ATOM 460 O ASP A 48 -26.841 9.706 -30.230 1.00 47.62
ATOM 461 CB ASP A 48 -28.011 10.904 -32.686 1.00 67.42
ATOM 462 CG ASP A 48 -28.852 10.315 -33.825 1.00 68.75
ATOM 463 OD1 ASP A 48 -29.297 9.158 -33.673 1.00 59.84
ATOM 464 OD2 ASP A 48 -28.959 11.012 -34.850 1.00 74.49
ATOM 465 H ASP A 48 -29.262 12.810 -31.165 1.00 99.99
ATOM 466 N MET A 49 -27.464 11.689 -29.386 1.00 46.14
ATOM 467 CA MET A 49 -26.221 11.928 -28.621 1.00 37.64
ATOM 468 C MET A 49 -25.920 10.882 -27.538 1.00 28.93
ATOM 469 O MET A 49 -24.760 10.569 -27.305 1.00 34.15
ATOM 470 CB MET A 49 -26.213 13.335 -28.021 1.00 60.39
ATOM 471 CG MET A 49 -26.339 14.420 -29.095 1.00 67.51
ATOM 472 SD MET A 49 -25.976 16.091 -28.446 1.00 70.01
ATOM 473 CE MET A 49 -27.607 16.793 -28.350 1.00 80.92
ATOM 474 H MET A 49 -28.258 12.202 -29.066 1.00 99.99
ATOM 475 N LEU A 50 -26.966 10.335 -26.920 1.00 29.31
ATOM 476 CA LEU A 50 -26.816 9.358 -25.820 1.00 35.44
ATOM 477 C LEU A 50 -26.102 8.057 -26.227 1.00 35.70
ATOM 478 O LEU A 50 -25.162 7.645 -25.555 1.00 34.99
ATOM 479 CB LEU A 50 -28.195 9.087 -25.213 1.00 44.51
ATOM 480 CG LEU A 50 -28.322 9.463 -23.727 1.00 71.91
ATOM 481 CD1 LEU A 50 -27.921 10.912 -23.430 1.00 83.43
ATOM 482 CD2 LEU A 50 -29.781 9.279 -23.308 1.00 72.91
ATOM 483 H LEU A 50 -27.905 10.602 -27.116 1.00 99.99
ATOM 484 N ASN A 51 -26.498 7.492 -27.367 1.00 36.15
ATOM 485 CA ASN A 51 -25.840 6.280 -27.893 1.00 46.18
ATOM 486 C ASN A 51 -25.956 6.195 -29.429 1.00 46.80
ATOM 487 O ASN A 51 -26.670 5.342 -29.958 1.00 51.38
ATOM 488 CB ASN A 51 -26.449 5.055 -27.201 1.00 59.59
ATOM 489 CG ASN A 51 -25.383 4.003 -26.876 1.00 58.09
ATOM 490 OD1 ASN A 51 -25.319 3.487 -25.771 1.00 68.94
ATOM 491 ND2 ASN A 51 -24.513 3.693 -27.810 1.00 49.79
ATOM 492 H ASN A 51 -27.261 7.836 -27.909 1.00 99.99
ATOM 493 1HD2 ASN A 51 -23.817 3.023 -27.560 1.00 99.99
ATOM 494 2HD2 ASN A 51 -24.558 4.096 -28.720 1.00 99.99
ATOM 495 N PRO A 52 -25.205 7.034 -30.155 1.00 46.77
ATOM 496 CA PRO A 52 -25.261 7.040 -31.624 1.00 42.13
ATOM 497 C PRO A 52 -24.687 5.740 -32.198 1.00 29.65
ATOM 498 O PRO A 52 -23.697 5.198 -31.710 1.00 35.71
ATOM 499 CB PRO A 52 -24.462 8.272 -32.047 1.00 40.68
ATOM 500 CG PRO A 52 -23.469 8.479 -30.903 1.00 45.80
ATOM 501 CD PRO A 52 -24.219 8.015 -29.657 1.00 39.98
ATOM 502 N ASN A 53 -25.398 5.222 -33.190 1.00 32.49
ATOM 503 CA ASN A 53 -24.908 4.088 -33.987 1.00 39.90
ATOM 504 C ASN A 53 -24.244 4.717 -35.218 1.00 30.57
ATOM 505 O ASN A 53 -24.897 5.016 -36.219 1.00 33.19
ATOM 506 CB ASN A 53 -26.081 3.179 -34.375 1.00 39.06
ATOM 507 CG ASN A 53 -25.642 1.948 -35.175 1.00 42.66
ATOM 508 OD1 ASN A 53 -24.586 1.893 -35.802 1.00 37.99
ATOM 509 ND2 ASN A 53 -26.508 0.966 -35.229 1.00 43.63
ATOM 510 H ASN A 53 -26.276 5.602 -33.479 1.00 99.99
ATOM 511 1HD2 ASN A 53 -26.253 0.148 -35.739 1.00 99.99
ATOM 512 2HD2 ASN A 53 -27.384 1.036 -34.756 1.00 99.99
ATOM 513 N TYR A 54 -22.956 5.005 -35.060 1.00 24.24
ATOM 514 CA TYR A 54 -22.206 5.771 -36.080 1.00 27.24
ATOM 515 C TYR A 54 -22.185 5.137 -37.476 1.00 29.59
ATOM 516 O TYR A 54 -22.518 5.812 -38.445 1.00 20.22
ATOM 517 CB TYR A 54 -20.791 6.106 -35.624 1.00 28.58
ATOM 518 CG TYR A 54 -20.811 7.253 -34.601 1.00 31.67
ATOM 519 CD1 TYR A 54 -21.056 8.545 -35.026 1.00 25.68
ATOM 520 CD2 TYR A 54 -20.513 6.996 -33.277 1.00 28.90
ATOM 521 CE1 TYR A 54 -21.010 9.597 -34.120 1.00 26.40
ATOM 522 CE2 TYR A 54 -20.447 8.041 -32.361 1.00 30.99
ATOM 523 CZ TYR A 54 -20.696 9.348 -32.784 1.00 29.20
ATOM 524 OH TYR A 54 -20.654 10.374 -31.909 1.00 31.43
ATOM 525 H TYR A 54 -22.454 4.773 -34.227 1.00 99.99
ATOM 526 HD1 TYR A 54 -21.280 8.743 -36.075 1.00 99.99
ATOM 527 HD2 TYR A 54 -20.278 5.980 -32.958 1.00 99.99
ATOM 528 HE1 TYR A 54 -21.281 10.601 -34.441 1.00 99.99
ATOM 529 HE2 TYR A 54 -20.234 7.827 -31.317 1.00 99.99
ATOM 530 HH TYR A 54 -20.500 10.031 -30.965 1.00 99.99
ATOM 531 N GLU A 55 -22.059 3.811 -37.516 1.00 23.18
ATOM 532 CA GLU A 55 -22.107 3.060 -38.790 1.00 31.05
ATOM 533 C GLU A 55 -23.461 3.214 -39.502 1.00 30.00
ATOM 534 O GLU A 55 -23.497 3.579 -40.673 1.00 33.78
ATOM 535 CB GLU A 55 -21.829 1.563 -38.622 1.00 29.48
ATOM 536 CG GLU A 55 -20.374 1.218 -38.282 1.00 34.59
ATOM 537 CD GLU A 55 -19.968 1.469 -36.821 1.00 32.76
ATOM 538 OE1 GLU A 55 -18.744 1.499 -36.581 1.00 37.13
ATOM 539 OE2 GLU A 55 -20.873 1.597 -35.965 1.00 44.55
ATOM 540 H GLU A 55 -21.949 3.260 -36.687 1.00 99.99
ATOM 541 N ASP A 56 -24.541 3.140 -38.727 1.00 32.82
ATOM 542 CA ASP A 56 -25.890 3.271 -39.313 1.00 43.59
ATOM 543 C ASP A 56 -26.168 4.718 -39.762 1.00 51.62
ATOM 544 O ASP A 56 -26.600 4.919 -40.889 1.00 47.17
ATOM 545 CB ASP A 56 -26.949 2.760 -38.343 1.00 54.90
ATOM 546 CG ASP A 56 -28.351 2.805 -38.958 1.00 65.48
ATOM 547 OD1 ASP A 56 -29.157 3.566 -38.387 1.00 57.17
ATOM 548 OD2 ASP A 56 -28.586 2.051 -39.924 1.00 64.01
ATOM 549 H ASP A 56 -24.502 3.139 -37.726 1.00 99.99
ATOM 550 N LEU A 57 -25.733 5.683 -38.956 1.00 38.15
ATOM 551 CA LEU A 57 -25.925 7.113 -39.276 1.00 39.31
ATOM 552 C LEU A 57 -25.157 7.531 -40.543 1.00 31.04
ATOM 553 O LEU A 57 -25.724 8.187 -41.406 1.00 38.82
ATOM 554 CB LEU A 57 -25.490 8.008 -38.115 1.00 38.75
ATOM 555 CG LEU A 57 -26.418 7.964 -36.897 1.00 41.28
ATOM 556 CD1 LEU A 57 -25.719 8.657 -35.727 1.00 39.75
ATOM 557 CD2 LEU A 57 -27.749 8.668 -37.181 1.00 48.18
ATOM 558 H LEU A 57 -25.165 5.510 -38.148 1.00 99.99
ATOM 559 N LEU A 58 -23.970 6.953 -40.713 1.00 28.04
ATOM 560 CA LEU A 58 -23.099 7.281 -41.858 1.00 28.57
ATOM 561 C LEU A 58 -23.653 6.700 -43.170 1.00 38.80
ATOM 562 O LEU A 58 -23.580 7.344 -44.207 1.00 29.21
ATOM 563 CB LEU A 58 -21.678 6.773 -41.603 1.00 33.94
ATOM 564 CG LEU A 58 -20.666 7.298 -42.631 1.00 38.14
ATOM 565 CD1 LEU A 58 -20.494 8.818 -42.535 1.00 41.31
ATOM 566 CD2 LEU A 58 -19.327 6.589 -42.441 1.00 31.95
ATOM 567 H LEU A 58 -23.644 6.192 -40.151 1.00 99.99
ATOM 568 N ILE A 59 -24.315 5.550 -43.052 1.00 46.00
ATOM 569 CA ILE A 59 -24.884 4.830 -44.208 1.00 43.39
ATOM 570 C ILE A 59 -25.926 5.680 -44.958 1.00 37.96
ATOM 571 O ILE A 59 -25.879 5.785 -46.179 1.00 49.77
ATOM 572 CB ILE A 59 -25.371 3.443 -43.734 1.00 51.64
ATOM 573 CG1 ILE A 59 -24.853 2.364 -44.687 1.00 48.19
ATOM 574 CG2 ILE A 59 -26.886 3.262 -43.536 1.00 51.42
ATOM 575 CD ILE A 59 -23.340 2.153 -44.557 1.00 50.08
ATOM 576 H ILE A 59 -24.487 5.120 -42.168 1.00 99.99
ATOM 577 N ARG A 60 -26.791 6.328 -44.181 1.00 49.16
ATOM 578 CA ARG A 60 -27.837 7.219 -44.716 1.00 57.55
ATOM 579 C ARG A 60 -27.311 8.563 -45.258 1.00 64.56
ATOM 580 O ARG A 60 -28.105 9.391 -45.702 1.00 68.03
ATOM 581 CB ARG A 60 -28.905 7.467 -43.643 1.00 64.60
ATOM 582 CG ARG A 60 -29.761 6.229 -43.364 1.00 66.44
ATOM 583 CD ARG A 60 -31.057 6.609 -42.637 1.00 67.49
ATOM 584 NE ARG A 60 -30.838 6.920 -41.208 1.00 68.26
ATOM 585 CZ ARG A 60 -30.624 6.025 -40.241 1.00 77.89
ATOM 586 NH1 ARG A 60 -30.599 4.728 -40.513 1.00 83.44
ATOM 587 NH2 ARG A 60 -30.442 6.409 -38.985 1.00 78.98
ATOM 588 H ARG A 60 -26.809 6.212 -43.188 1.00 99.99
ATOM 589 HE ARG A 60 -30.865 7.887 -40.972 1.00 99.99
ATOM 590 1HH1 ARG A 60 -30.425 4.063 -39.789 1.00 99.99
ATOM 591 2HH1 ARG A 60 -30.714 4.435 -41.461 1.00 99.99
ATOM 592 1HH2 ARG A 60 -30.278 5.716 -38.284 1.00 99.99
ATOM 593 2HH2 ARG A 60 -30.466 7.376 -38.740 1.00 99.99
ATOM 594 N LYS A 61 -25.988 8.727 -45.320 1.00 45.93
ATOM 595 CA LYS A 61 -25.363 9.987 -45.764 1.00 42.21
ATOM 596 C LYS A 61 -24.712 9.807 -47.139 1.00 23.68
ATOM 597 O LYS A 61 -24.008 8.841 -47.423 1.00 27.42
ATOM 598 CB LYS A 61 -24.292 10.442 -44.761 1.00 44.72
ATOM 599 CG LYS A 61 -24.825 10.758 -43.357 1.00 41.19
ATOM 600 CD LYS A 61 -25.622 12.063 -43.314 1.00 37.40
ATOM 601 CE LYS A 61 -26.299 12.252 -41.952 1.00 43.22
ATOM 602 NZ LYS A 61 -27.239 13.376 -41.978 1.00 51.46
ATOM 603 H LYS A 61 -25.330 7.998 -45.121 1.00 99.99
ATOM 604 HZ1 LYS A 61 -27.693 13.447 -41.089 1.00 99.99
ATOM 605 HZ2 LYS A 61 -26.744 14.225 -42.168 1.00 99.99
ATOM 606 HZ3 LYS A 61 -27.923 13.218 -42.692 1.00 99.99
ATOM 607 N SER A 62 -25.022 10.756 -48.005 1.00 38.70
ATOM 608 CA SER A 62 -24.366 10.890 -49.324 1.00 45.57
ATOM 609 C SER A 62 -23.208 11.891 -49.204 1.00 34.61
ATOM 610 O SER A 62 -23.235 12.759 -48.331 1.00 27.18
ATOM 611 CB SER A 62 -25.384 11.396 -50.353 1.00 38.53
ATOM 612 OG SER A 62 -25.827 12.711 -49.997 1.00 34.07
ATOM 613 H SER A 62 -25.746 11.415 -47.789 1.00 99.99
ATOM 614 HG SER A 62 -25.713 12.830 -49.003 1.00 99.99
ATOM 615 N ASN A 63 -22.275 11.842 -50.152 1.00 30.60
ATOM 616 CA ASN A 63 -21.233 12.892 -50.284 1.00 33.89
ATOM 617 C ASN A 63 -21.798 14.323 -50.262 1.00 38.59
ATOM 618 O ASN A 63 -21.332 15.156 -49.492 1.00 29.96
ATOM 619 CB ASN A 63 -20.451 12.726 -51.584 1.00 22.04
ATOM 620 CG ASN A 63 -19.549 11.493 -51.588 1.00 26.17
ATOM 621 OD1 ASN A 63 -19.092 10.999 -50.566 1.00 37.53
ATOM 622 ND2 ASN A 63 -19.298 10.963 -52.750 1.00 23.93
ATOM 623 H ASN A 63 -22.116 11.015 -50.688 1.00 99.99
ATOM 624 1HD2 ASN A 63 -18.696 10.163 -52.779 1.00 99.99
ATOM 625 2HD2 ASN A 63 -19.584 11.417 -53.591 1.00 99.99
ATOM 626 N HIS A 64 -22.941 14.495 -50.925 1.00 35.15
ATOM 627 CA HIS A 64 -23.613 15.805 -51.025 1.00 31.69