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bch441-work-abc-units/data/1BM8.pdb

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HEADER CELL CYCLE 29-JUL-98 1BM8
TITLE DNA-BINDING DOMAIN OF MBP1
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TRANSCRIPTION FACTOR MBP1;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: N-TERMINAL DNA-BINDING DOMAIN;
COMPND 5 SYNONYM: MCB (MLUI CELL-CYLE BOX) BINDING PROTEIN;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST;
SOURCE 4 ORGANISM_TAXID: 4932;
SOURCE 5 CELL_LINE: BL21;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSS;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: BL21 (DE3) PLYSS/PET43
KEYWDS CELL CYCLE, CYCLINS, DNA SYNTHESIS, HELIX-TURN-HELIX DNA-
KEYWDS 2 BINDING DOMAIN, MULTIWAVELENGTH ANOMALOUS DIFFRACTION,
KEYWDS 3 TRANSCRIPTION FACTOR
EXPDTA X-RAY DIFFRACTION
AUTHOR R.-M.XU,C.KOCH,Y.LIU,J.R.HORTON,D.KNAPP,K.NASMYTH,X.CHENG
REVDAT 2 24-FEB-09 1BM8 1 VERSN
REVDAT 1 02-MAR-99 1BM8 0
JRNL AUTH R.M.XU,C.KOCH,Y.LIU,J.R.HORTON,D.KNAPP,K.NASMYTH,
JRNL AUTH 2 X.CHENG
JRNL TITL CRYSTAL STRUCTURE OF THE DNA-BINDING DOMAIN OF
JRNL TITL 2 MBP1, A TRANSCRIPTION FACTOR IMPORTANT IN
JRNL TITL 3 CELL-CYCLE CONTROL OF DNA SYNTHESIS.
JRNL REF STRUCTURE V. 5 349 1997
JRNL REFN ISSN 0969-2126
JRNL PMID 9083114
JRNL DOI 10.1016/S0969-2126(97)00192-5
REMARK 1
REMARK 2
REMARK 2 RESOLUTION. 1.71 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.71
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 5.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL
REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 93.6
REMARK 3 NUMBER OF REFLECTIONS : 10273
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : NULL
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING SET) : 0.197
REMARK 3 FREE R VALUE : 0.261
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000
REMARK 3 FREE R VALUE TEST SET COUNT : NULL
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : 8
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.71
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.78
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 34.10
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 535
REMARK 3 BIN R VALUE (WORKING SET) : 0.4020
REMARK 3 BIN FREE R VALUE : 0.3350
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.00
REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 812
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 0
REMARK 3 SOLVENT ATOMS : 66
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 36.00
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : NULL
REMARK 3 B22 (A**2) : NULL
REMARK 3 B33 (A**2) : NULL
REMARK 3 B12 (A**2) : NULL
REMARK 3 B13 (A**2) : NULL
REMARK 3 B23 (A**2) : NULL
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM SIGMAA (A) : NULL
REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00
REMARK 3
REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM C-V SIGMAA (A) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.009
REMARK 3 BOND ANGLES (DEGREES) : 1.11
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.30
REMARK 3 IMPROPER ANGLES (DEGREES) : 0.98
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3
REMARK 3 NCS MODEL : NULL
REMARK 3
REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT
REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL
REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL
REMARK 3
REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO
REMARK 3 PARAMETER FILE 2 : NULL
REMARK 3 PARAMETER FILE 3 : NULL
REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO
REMARK 3 TOPOLOGY FILE 2 : NULL
REMARK 3 TOPOLOGY FILE 3 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: ISOTROPIC THERMAL FACTOR RESTRAINTS:
REMARK 3 36. (A**2) FOR MAIN-CHAIN BONDS AND 40.3 (A**2) FOR SIDE-CHAIN
REMARK 3 BONDS.
REMARK 4
REMARK 4 1BM8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : JUN-96
REMARK 200 TEMPERATURE (KELVIN) : 289
REMARK 200 PH : 8.0
REMARK 200 NUMBER OF CRYSTALS USED : 3
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : NSLS
REMARK 200 BEAMLINE : X12C
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.96
REMARK 200 MONOCHROMATOR : NI FILTER
REMARK 200 OPTICS : MIRRORS
REMARK 200
REMARK 200 DETECTOR TYPE : IMAGE PLATE
REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO
REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 12811
REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700
REMARK 200 RESOLUTION RANGE LOW (A) : 30.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 93.6
REMARK 200 DATA REDUNDANCY : 5.300
REMARK 200 R MERGE (I) : 0.05200
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 11.4000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.71
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.78
REMARK 200 COMPLETENESS FOR SHELL (%) : 34.0
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: NULL
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL
REMARK 200 SOFTWARE USED: PHASES
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 34.00
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.85
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: PH 8.0
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,-Y,Z+1/2
REMARK 290 3555 -Y+1/2,X+1/2,Z+1/4
REMARK 290 4555 Y+1/2,-X+1/2,Z+3/4
REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/4
REMARK 290 6555 X+1/2,-Y+1/2,-Z+3/4
REMARK 290 7555 Y,X,-Z
REMARK 290 8555 -Y,-X,-Z+1/2
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 62.11000
REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 21.67500
REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 21.67500
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 31.05500
REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 21.67500
REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 21.67500
REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 93.16500
REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 21.67500
REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 21.67500
REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 31.05500
REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 21.67500
REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 21.67500
REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 93.16500
REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 62.11000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 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 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 459 DISTANCE = 6.67 ANGSTROMS
REMARK 525 HOH A 473 DISTANCE = 6.70 ANGSTROMS
DBREF 1BM8 A 4 102 UNP P39678 MBP1_YEAST 4 102
SEQRES 1 A 99 GLN ILE TYR SER ALA ARG TYR SER GLY VAL ASP VAL TYR
SEQRES 2 A 99 GLU PHE ILE HIS SER THR GLY SER ILE MET LYS ARG LYS
SEQRES 3 A 99 LYS ASP ASP TRP VAL ASN ALA THR HIS ILE LEU LYS ALA
SEQRES 4 A 99 ALA ASN PHE ALA LYS ALA LYS ARG THR ARG ILE LEU GLU
SEQRES 5 A 99 LYS GLU VAL LEU LYS GLU THR HIS GLU LYS VAL GLN GLY
SEQRES 6 A 99 GLY PHE GLY LYS TYR GLN GLY THR TRP VAL PRO LEU ASN
SEQRES 7 A 99 ILE ALA LYS GLN LEU ALA GLU LYS PHE SER VAL TYR ASP
SEQRES 8 A 99 GLN LEU LYS PRO LEU PHE ASP PHE
FORMUL 2 HOH *83(H2 O)
HELIX 1 1 ALA A 36 ALA A 42 1 7
HELIX 2 2 LYS A 47 GLU A 57 1 11
HELIX 3 3 LEU A 80 LYS A 89 1 10
HELIX 4 4 TYR A 93 PHE A 100 1 8
SHEET 1 A 3 ILE A 5 TYR A 10 0
SHEET 2 A 3 VAL A 13 ILE A 19 -1 N GLU A 17 O TYR A 6
SHEET 3 A 3 SER A 24 ARG A 28 -1 N LYS A 27 O TYR A 16
SHEET 1 B 2 GLU A 64 VAL A 66 0
SHEET 2 B 2 GLY A 75 TRP A 77 -1 N TRP A 77 O GLU A 64
CRYST1 43.350 43.350 124.220 90.00 90.00 90.00 P 41 21 2 8
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.023068 0.000000 0.000000 0.00000
SCALE2 0.000000 0.023068 0.000000 0.00000
SCALE3 0.000000 0.000000 0.008050 0.00000
ATOM 1 N GLN A 4 -0.991 4.920 14.982 1.00 52.28 N
ATOM 2 CA GLN A 4 -0.575 5.127 16.398 1.00 51.22 C
ATOM 3 C GLN A 4 0.344 6.335 16.538 1.00 48.16 C
ATOM 4 O GLN A 4 0.893 6.823 15.540 1.00 46.43 O
ATOM 5 CB GLN A 4 0.121 3.877 16.961 1.00 53.87 C
ATOM 6 CG GLN A 4 -0.797 3.008 17.820 1.00 57.21 C
ATOM 7 CD GLN A 4 -0.029 2.066 18.730 1.00 60.18 C
ATOM 8 OE1 GLN A 4 1.135 2.325 19.071 1.00 61.12 O
ATOM 9 NE2 GLN A 4 -0.673 0.970 19.131 1.00 61.27 N
ATOM 10 H1 GLN A 4 -1.493 5.767 14.644 1.00 0.00 H
ATOM 11 H2 GLN A 4 -0.148 4.764 14.393 1.00 0.00 H
ATOM 12 H3 GLN A 4 -1.618 4.097 14.918 1.00 0.00 H
ATOM 13 HE21 GLN A 4 -0.200 0.339 19.714 1.00 0.00 H
ATOM 14 HE22 GLN A 4 -1.594 0.835 18.832 1.00 0.00 H
ATOM 15 N ILE A 5 0.487 6.801 17.778 1.00 44.78 N
ATOM 16 CA ILE A 5 1.300 7.959 18.076 1.00 42.51 C
ATOM 17 C ILE A 5 2.358 7.589 19.087 1.00 40.28 C
ATOM 18 O ILE A 5 2.041 7.137 20.170 1.00 41.33 O
ATOM 19 CB ILE A 5 0.424 9.104 18.631 1.00 42.76 C
ATOM 20 CG1 ILE A 5 -0.582 9.523 17.557 1.00 44.06 C
ATOM 21 CG2 ILE A 5 1.281 10.293 19.056 1.00 43.55 C
ATOM 22 CD1 ILE A 5 -1.471 10.684 17.936 1.00 43.93 C
ATOM 23 H ILE A 5 0.039 6.338 18.519 1.00 0.00 H
ATOM 24 N TYR A 6 3.607 7.754 18.720 1.00 38.87 N
ATOM 25 CA TYR A 6 4.710 7.452 19.621 1.00 38.04 C
ATOM 26 C TYR A 6 5.273 8.733 20.218 1.00 34.53 C
ATOM 27 O TYR A 6 5.170 9.805 19.650 1.00 33.71 O
ATOM 28 CB TYR A 6 5.892 6.794 18.889 1.00 42.49 C
ATOM 29 CG TYR A 6 5.619 5.559 18.078 1.00 49.90 C
ATOM 30 CD1 TYR A 6 4.759 4.551 18.520 1.00 52.40 C
ATOM 31 CD2 TYR A 6 6.290 5.367 16.884 1.00 53.52 C
ATOM 32 CE1 TYR A 6 4.603 3.377 17.787 1.00 56.29 C
ATOM 33 CE2 TYR A 6 6.148 4.208 16.144 1.00 56.87 C
ATOM 34 CZ TYR A 6 5.307 3.211 16.595 1.00 58.22 C
ATOM 35 OH TYR A 6 5.213 2.023 15.883 1.00 62.12 O
ATOM 36 H TYR A 6 3.803 8.092 17.823 1.00 0.00 H
ATOM 37 HH TYR A 6 4.525 1.471 16.264 1.00 0.00 H
ATOM 38 N SER A 7 5.887 8.595 21.343 1.00 29.82 N
ATOM 39 CA SER A 7 6.641 9.658 21.907 1.00 27.41 C
ATOM 40 C SER A 7 8.065 9.484 21.365 1.00 25.27 C
ATOM 41 O SER A 7 8.573 8.364 21.336 1.00 24.52 O
ATOM 42 CB SER A 7 6.604 9.491 23.411 1.00 27.69 C
ATOM 43 OG SER A 7 7.393 10.446 24.052 1.00 34.18 O
ATOM 44 H SER A 7 5.839 7.737 21.817 1.00 0.00 H
ATOM 45 HG SER A 7 8.257 10.478 23.644 1.00 0.00 H
ATOM 46 N ALA A 8 8.709 10.555 20.901 1.00 23.35 N
ATOM 47 CA ALA A 8 10.071 10.423 20.364 1.00 20.99 C
ATOM 48 C ALA A 8 10.887 11.696 20.574 1.00 21.47 C
ATOM 49 O ALA A 8 10.370 12.693 21.084 1.00 21.33 O
ATOM 50 CB ALA A 8 10.016 10.075 18.875 1.00 20.24 C
ATOM 51 H ALA A 8 8.274 11.435 20.918 1.00 0.00 H
ATOM 52 N ARG A 9 12.163 11.644 20.207 1.00 21.36 N
ATOM 53 CA ARG A 9 13.054 12.817 20.318 1.00 23.94 C
ATOM 54 C ARG A 9 14.026 12.854 19.153 1.00 24.02 C
ATOM 55 O ARG A 9 14.629 11.831 18.835 1.00 22.48 O
ATOM 56 CB ARG A 9 13.864 12.818 21.615 1.00 24.91 C
ATOM 57 CG ARG A 9 14.921 13.922 21.647 1.00 28.68 C
ATOM 58 CD ARG A 9 15.735 13.904 22.931 1.00 31.98 C
ATOM 59 NE ARG A 9 14.979 14.426 24.042 1.00 35.74 N
ATOM 60 CZ ARG A 9 15.234 15.602 24.583 1.00 37.58 C
ATOM 61 NH1 ARG A 9 16.262 16.324 24.162 1.00 38.78 N
ATOM 62 NH2 ARG A 9 14.475 16.048 25.571 1.00 40.26 N
ATOM 63 H ARG A 9 12.518 10.810 19.832 1.00 0.00 H
ATOM 64 HE ARG A 9 14.250 13.885 24.413 1.00 0.00 H
ATOM 65 HH11 ARG A 9 16.855 15.976 23.436 1.00 0.00 H
ATOM 66 HH12 ARG A 9 16.446 17.220 24.568 1.00 0.00 H
ATOM 67 HH21 ARG A 9 13.711 15.495 25.906 1.00 0.00 H
ATOM 68 HH22 ARG A 9 14.657 16.944 25.977 1.00 0.00 H
ATOM 69 N TYR A 10 14.154 14.035 18.532 1.00 24.15 N
ATOM 70 CA TYR A 10 15.034 14.236 17.379 1.00 26.92 C
ATOM 71 C TYR A 10 15.730 15.585 17.504 1.00 28.93 C
ATOM 72 O TYR A 10 15.085 16.571 17.814 1.00 29.46 O
ATOM 73 CB TYR A 10 14.234 14.252 16.072 1.00 23.90 C
ATOM 74 CG TYR A 10 13.510 12.977 15.778 1.00 24.39 C
ATOM 75 CD1 TYR A 10 14.171 11.907 15.185 1.00 25.27 C
ATOM 76 CD2 TYR A 10 12.174 12.813 16.148 1.00 25.41 C
ATOM 77 CE1 TYR A 10 13.521 10.695 14.967 1.00 27.01 C
ATOM 78 CE2 TYR A 10 11.520 11.609 15.936 1.00 27.17 C
ATOM 79 CZ TYR A 10 12.196 10.556 15.346 1.00 26.47 C
ATOM 80 OH TYR A 10 11.540 9.379 15.101 1.00 27.96 O
ATOM 81 H TYR A 10 13.640 14.801 18.866 1.00 0.00 H
ATOM 82 HH TYR A 10 12.100 8.804 14.574 1.00 0.00 H
ATOM 83 N SER A 11 17.029 15.630 17.266 1.00 30.98 N
ATOM 84 CA SER A 11 17.751 16.893 17.349 1.00 32.54 C
ATOM 85 C SER A 11 17.509 17.599 18.695 1.00 32.28 C
ATOM 86 O SER A 11 17.377 18.827 18.737 1.00 33.57 O
ATOM 87 CB SER A 11 17.299 17.821 16.212 1.00 34.50 C
ATOM 88 OG SER A 11 17.469 17.220 14.934 1.00 39.12 O
ATOM 89 H SER A 11 17.508 14.810 17.019 1.00 0.00 H
ATOM 90 HG SER A 11 18.388 16.968 14.813 1.00 0.00 H
ATOM 91 N GLY A 12 17.410 16.826 19.780 1.00 30.27 N
ATOM 92 CA GLY A 12 17.187 17.403 21.099 1.00 27.72 C
ATOM 93 C GLY A 12 15.760 17.867 21.361 1.00 26.67 C
ATOM 94 O GLY A 12 15.474 18.436 22.414 1.00 28.11 O
ATOM 95 H GLY A 12 17.494 15.856 19.690 1.00 0.00 H
ATOM 96 N VAL A 13 14.855 17.590 20.434 1.00 25.00 N
ATOM 97 CA VAL A 13 13.459 18.045 20.539 1.00 22.39 C
ATOM 98 C VAL A 13 12.471 16.877 20.723 1.00 22.62 C
ATOM 99 O VAL A 13 12.494 15.913 19.959 1.00 21.65 O
ATOM 100 CB VAL A 13 13.075 18.819 19.253 1.00 21.97 C
ATOM 101 CG1 VAL A 13 11.652 19.334 19.343 1.00 18.81 C
ATOM 102 CG2 VAL A 13 14.057 19.964 19.042 1.00 22.24 C
ATOM 103 H VAL A 13 15.123 17.070 19.648 1.00 0.00 H
ATOM 104 N ASP A 14 11.617 16.976 21.734 1.00 21.41 N
ATOM 105 CA ASP A 14 10.622 15.950 22.003 1.00 21.86 C
ATOM 106 C ASP A 14 9.377 16.206 21.197 1.00 21.71 C
ATOM 107 O ASP A 14 8.837 17.312 21.204 1.00 20.60 O
ATOM 108 CB ASP A 14 10.237 15.913 23.494 1.00 24.96 C
ATOM 109 CG ASP A 14 11.414 15.636 24.396 1.00 25.52 C
ATOM 110 OD1 ASP A 14 12.057 14.597 24.232 1.00 27.41 O
ATOM 111 OD2 ASP A 14 11.704 16.473 25.257 1.00 30.85 O
ATOM 112 H ASP A 14 11.653 17.765 22.313 1.00 0.00 H
ATOM 113 N VAL A 15 8.897 15.168 20.550 1.00 21.11 N
ATOM 114 CA VAL A 15 7.740 15.281 19.686 1.00 20.99 C
ATOM 115 C VAL A 15 6.819 14.096 19.900 1.00 23.45 C
ATOM 116 O VAL A 15 7.178 13.132 20.595 1.00 24.63 O
ATOM 117 CB VAL A 15 8.149 15.282 18.166 1.00 19.89 C
ATOM 118 CG1 VAL A 15 9.103 16.420 17.854 1.00 16.46 C
ATOM 119 CG2 VAL A 15 8.795 13.934 17.785 1.00 18.59 C
ATOM 120 H VAL A 15 9.323 14.292 20.662 1.00 0.00 H
ATOM 121 N TYR A 16 5.632 14.216 19.339 1.00 24.96 N
ATOM 122 CA TYR A 16 4.726 13.114 19.215 1.00 26.21 C
ATOM 123 C TYR A 16 4.746 12.756 17.744 1.00 26.48 C
ATOM 124 O TYR A 16 4.631 13.643 16.884 1.00 25.01 O
ATOM 125 CB TYR A 16 3.314 13.507 19.644 1.00 29.28 C
ATOM 126 CG TYR A 16 3.170 13.632 21.144 1.00 32.30 C
ATOM 127 CD1 TYR A 16 3.375 12.530 21.959 1.00 34.32 C
ATOM 128 CD2 TYR A 16 2.859 14.843 21.746 1.00 33.14 C
ATOM 129 CE1 TYR A 16 3.272 12.625 23.332 1.00 36.05 C
ATOM 130 CE2 TYR A 16 2.755 14.950 23.125 1.00 35.60 C
ATOM 131 CZ TYR A 16 2.962 13.832 23.907 1.00 37.33 C
ATOM 132 OH TYR A 16 2.870 13.922 25.273 1.00 42.80 O
ATOM 133 H TYR A 16 5.364 15.082 18.983 1.00 0.00 H
ATOM 134 HH TYR A 16 3.304 13.159 25.678 1.00 0.00 H
ATOM 135 N GLU A 17 4.950 11.483 17.454 1.00 27.52 N
ATOM 136 CA GLU A 17 5.040 11.030 16.074 1.00 29.95 C
ATOM 137 C GLU A 17 3.841 10.167 15.709 1.00 30.66 C
ATOM 138 O GLU A 17 3.533 9.205 16.390 1.00 27.27 O
ATOM 139 CB GLU A 17 6.349 10.268 15.880 1.00 29.55 C
ATOM 140 CG GLU A 17 6.689 9.958 14.439 1.00 32.47 C
ATOM 141 CD GLU A 17 8.068 9.340 14.291 1.00 34.84 C
ATOM 142 OE1 GLU A 17 8.917 9.552 15.182 1.00 36.30 O
ATOM 143 OE2 GLU A 17 8.307 8.643 13.282 1.00 38.82 O
ATOM 144 H GLU A 17 5.048 10.834 18.179 1.00 0.00 H
ATOM 145 N PHE A 18 3.157 10.574 14.657 1.00 34.09 N
ATOM 146 CA PHE A 18 1.992 9.874 14.154 1.00 38.16 C
ATOM 147 C PHE A 18 2.404 9.093 12.906 1.00 40.68 C
ATOM 148 O PHE A 18 3.066 9.635 12.005 1.00 38.31 O
ATOM 149 CB PHE A 18 0.911 10.908 13.837 1.00 39.21 C
ATOM 150 CG PHE A 18 -0.309 10.396 13.139 1.00 43.44 C
ATOM 151 CD1 PHE A 18 -1.285 9.683 13.838 1.00 45.30 C
ATOM 152 CD2 PHE A 18 -0.520 10.684 11.789 1.00 45.30 C
ATOM 153 CE1 PHE A 18 -2.451 9.269 13.205 1.00 45.73 C
ATOM 154 CE2 PHE A 18 -1.682 10.275 11.146 1.00 46.28 C
ATOM 155 CZ PHE A 18 -2.651 9.568 11.854 1.00 46.51 C
ATOM 156 H PHE A 18 3.446 11.386 14.198 1.00 0.00 H
ATOM 157 N ILE A 19 2.060 7.813 12.875 1.00 43.87 N
ATOM 158 CA ILE A 19 2.451 6.970 11.756 1.00 47.64 C
ATOM 159 C ILE A 19 1.361 6.905 10.701 1.00 50.18 C
ATOM 160 O ILE A 19 0.316 6.280 10.907 1.00 50.83 O
ATOM 161 CB ILE A 19 2.787 5.548 12.208 1.00 48.13 C
ATOM 162 CG1 ILE A 19 3.734 5.597 13.406 1.00 49.26 C
ATOM 163 CG2 ILE A 19 3.425 4.793 11.061 1.00 48.27 C
ATOM 164 CD1 ILE A 19 5.016 6.356 13.140 1.00 51.27 C
ATOM 165 H ILE A 19 1.535 7.436 13.609 1.00 0.00 H
ATOM 166 N HIS A 20 1.623 7.574 9.587 1.00 52.47 N
ATOM 167 CA HIS A 20 0.710 7.602 8.461 1.00 54.63 C
ATOM 168 C HIS A 20 1.325 6.738 7.359 1.00 54.62 C
ATOM 169 O HIS A 20 2.518 6.415 7.424 1.00 54.75 O
ATOM 170 CB HIS A 20 0.553 9.056 7.990 1.00 57.40 C
ATOM 171 CG HIS A 20 -0.664 9.340 7.157 1.00 60.64 C
ATOM 172 ND1 HIS A 20 -0.604 9.703 5.820 1.00 61.69 N
ATOM 173 CD2 HIS A 20 -1.991 9.341 7.470 1.00 61.84 C
ATOM 174 CE1 HIS A 20 -1.811 9.917 5.323 1.00 62.25 C
ATOM 175 NE2 HIS A 20 -2.653 9.699 6.317 1.00 63.47 N
ATOM 176 H HIS A 20 2.472 8.058 9.517 1.00 0.00 H
ATOM 177 HD1 HIS A 20 0.226 9.797 5.306 1.00 0.00 H
ATOM 178 HE2 HIS A 20 -3.628 9.768 6.238 1.00 0.00 H
ATOM 179 N SER A 21 0.535 6.358 6.354 1.00 54.36 N
ATOM 180 CA SER A 21 1.057 5.528 5.265 1.00 52.80 C
ATOM 181 C SER A 21 2.204 6.221 4.504 1.00 52.38 C
ATOM 182 O SER A 21 3.242 5.606 4.237 1.00 51.68 O
ATOM 183 CB SER A 21 -0.081 5.142 4.322 1.00 51.54 C
ATOM 184 OG SER A 21 -0.940 6.237 4.107 1.00 51.51 O
ATOM 185 H SER A 21 -0.408 6.625 6.348 1.00 0.00 H
ATOM 186 HG SER A 21 -1.720 5.940 3.628 1.00 0.00 H
ATOM 187 N THR A 22 2.030 7.509 4.195 1.00 52.22 N
ATOM 188 CA THR A 22 3.058 8.284 3.475 1.00 52.84 C
ATOM 189 C THR A 22 4.294 8.548 4.334 1.00 50.76 C
ATOM 190 O THR A 22 5.358 8.913 3.827 1.00 50.70 O
ATOM 191 CB THR A 22 2.503 9.648 3.031 1.00 54.77 C
ATOM 192 OG1 THR A 22 1.746 10.224 4.115 1.00 57.43 O
ATOM 193 CG2 THR A 22 1.604 9.504 1.816 1.00 56.57 C
ATOM 194 H THR A 22 1.193 7.951 4.445 1.00 0.00 H
ATOM 195 HG1 THR A 22 1.603 11.155 3.928 1.00 0.00 H
ATOM 196 N GLY A 23 4.142 8.376 5.635 1.00 49.11 N
ATOM 197 CA GLY A 23 5.238 8.640 6.541 1.00 45.68 C
ATOM 198 C GLY A 23 4.739 9.133 7.876 1.00 43.53 C
ATOM 199 O GLY A 23 3.521 9.157 8.138 1.00 42.97 O
ATOM 200 H GLY A 23 3.287 8.054 5.988 1.00 0.00 H
ATOM 201 N SER A 24 5.655 9.533 8.719 1.00 40.66 N
ATOM 202 CA SER A 24 5.279 10.004 10.026 1.00 38.67 C
ATOM 203 C SER A 24 5.066 11.517 10.046 1.00 36.42 C
ATOM 204 O SER A 24 5.714 12.267 9.291 1.00 34.95 O
ATOM 205 CB SER A 24 6.335 9.598 11.029 1.00 39.09 C
ATOM 206 OG SER A 24 7.622 9.743 10.472 1.00 44.40 O
ATOM 207 H SER A 24 6.597 9.521 8.458 1.00 0.00 H
ATOM 208 HG SER A 24 7.777 9.032 9.837 1.00 0.00 H
ATOM 209 N ILE A 25 4.129 11.946 10.890 1.00 32.56 N
ATOM 210 CA ILE A 25 3.824 13.356 11.064 1.00 29.27 C
ATOM 211 C ILE A 25 4.108 13.725 12.516 1.00 27.24 C
ATOM 212 O ILE A 25 3.698 13.017 13.431 1.00 26.25 O
ATOM 213 CB ILE A 25 2.354 13.628 10.682 1.00 30.38 C
ATOM 214 CG1 ILE A 25 2.172 13.204 9.219 1.00 33.50 C
ATOM 215 CG2 ILE A 25 2.011 15.105 10.843 1.00 28.01 C
ATOM 216 CD1 ILE A 25 0.746 13.027 8.780 1.00 35.33 C
ATOM 217 H ILE A 25 3.628 11.287 11.414 1.00 0.00 H
ATOM 218 N MET A 26 4.821 14.815 12.713 1.00 24.03 N
ATOM 219 CA MET A 26 5.282 15.188 14.040 1.00 22.95 C
ATOM 220 C MET A 26 4.649 16.463 14.576 1.00 23.00 C
ATOM 221 O MET A 26 4.398 17.426 13.832 1.00 19.80 O
ATOM 222 CB MET A 26 6.800 15.397 14.034 1.00 22.54 C
ATOM 223 CG MET A 26 7.632 14.152 13.821 1.00 22.25 C
ATOM 224 SD MET A 26 9.393 14.520 13.783 1.00 27.59 S
ATOM 225 CE MET A 26 10.026 13.008 13.046 1.00 27.15 C
ATOM 226 H MET A 26 5.012 15.401 11.961 1.00 0.00 H
ATOM 227 N LYS A 27 4.443 16.453 15.891 1.00 23.73 N
ATOM 228 CA LYS A 27 3.998 17.625 16.632 1.00 23.46 C
ATOM 229 C LYS A 27 4.942 17.793 17.828 1.00 22.79 C
ATOM 230 O LYS A 27 5.244 16.813 18.522 1.00 22.50 O
ATOM 231 CB LYS A 27 2.550 17.459 17.133 1.00 24.99 C
ATOM 232 CG LYS A 27 2.055 18.665 17.923 1.00 27.08 C
ATOM 233 CD LYS A 27 0.574 18.594 18.223 1.00 29.52 C
ATOM 234 CE LYS A 27 0.272 17.523 19.243 1.00 32.06 C
ATOM 235 NZ LYS A 27 -1.178 17.499 19.580 1.00 35.59 N
ATOM 236 H LYS A 27 4.599 15.620 16.384 1.00 0.00 H
ATOM 237 HZ1 LYS A 27 -1.732 17.319 18.719 1.00 0.00 H
ATOM 238 HZ2 LYS A 27 -1.359 16.745 20.272 1.00 0.00 H
ATOM 239 HZ3 LYS A 27 -1.452 18.414 19.986 1.00 0.00 H
ATOM 240 N ARG A 28 5.455 19.003 18.033 1.00 21.34 N
ATOM 241 CA ARG A 28 6.361 19.253 19.141 1.00 21.22 C
ATOM 242 C ARG A 28 5.615 19.292 20.464 1.00 20.99 C
ATOM 243 O ARG A 28 4.534 19.902 20.557 1.00 20.62 O
ATOM 244 CB ARG A 28 7.090 20.582 18.971 1.00 20.55 C
ATOM 245 CG ARG A 28 8.119 20.580 17.884 1.00 23.75 C
ATOM 246 CD ARG A 28 9.092 21.725 18.053 1.00 24.37 C
ATOM 247 NE ARG A 28 8.452 23.024 17.897 1.00 22.21 N
ATOM 248 CZ ARG A 28 8.906 23.947 17.062 1.00 22.16 C
ATOM 249 NH1 ARG A 28 9.932 23.686 16.260 1.00 21.40 N
ATOM 250 NH2 ARG A 28 8.314 25.124 17.006 1.00 22.10 N
ATOM 251 H ARG A 28 5.216 19.737 17.429 1.00 0.00 H
ATOM 252 HE ARG A 28 7.659 23.223 18.432 1.00 0.00 H
ATOM 253 HH11 ARG A 28 10.372 22.788 16.284 1.00 0.00 H
ATOM 254 HH12 ARG A 28 10.278 24.394 15.642 1.00 0.00 H
ATOM 255 HH21 ARG A 28 7.520 25.312 17.581 1.00 0.00 H
ATOM 256 HH22 ARG A 28 8.657 25.824 16.379 1.00 0.00 H
ATOM 257 N LYS A 29 6.215 18.701 21.488 1.00 20.40 N
ATOM 258 CA LYS A 29 5.601 18.678 22.813 1.00 22.71 C
ATOM 259 C LYS A 29 5.623 20.043 23.491 1.00 22.45 C
ATOM 260 O LYS A 29 4.669 20.397 24.190 1.00 21.87 O
ATOM 261 CB LYS A 29 6.298 17.668 23.723 1.00 25.87 C
ATOM 262 CG LYS A 29 6.214 16.228 23.225 1.00 31.52 C
ATOM 263 CD LYS A 29 6.749 15.268 24.259 1.00 32.96 C
ATOM 264 CE LYS A 29 6.701 13.831 23.781 1.00 33.83 C
ATOM 265 NZ LYS A 29 7.106 12.908 24.868 1.00 35.21 N
ATOM 266 H LYS A 29 7.088 18.274 21.356 1.00 0.00 H
ATOM 267 HZ1 LYS A 29 6.552 13.117 25.721 1.00 0.00 H
ATOM 268 HZ2 LYS A 29 6.929 11.933 24.575 1.00 0.00 H
ATOM 269 HZ3 LYS A 29 8.116 13.033 25.071 1.00 0.00 H
ATOM 270 N LYS A 30 6.693 20.822 23.275 1.00 21.91 N
ATOM 271 CA LYS A 30 6.818 22.108 23.970 1.00 22.50 C
ATOM 272 C LYS A 30 5.797 23.154 23.535 1.00 22.00 C
ATOM 273 O LYS A 30 5.348 23.925 24.374 1.00 21.27 O
ATOM 274 CB LYS A 30 8.230 22.683 23.839 1.00 23.91 C
ATOM 275 CG LYS A 30 8.602 23.159 22.448 1.00 30.91 C
ATOM 276 CD LYS A 30 10.047 23.652 22.422 1.00 35.19 C
ATOM 277 CE LYS A 30 10.510 24.019 21.007 1.00 36.53 C
ATOM 278 NZ LYS A 30 9.871 25.274 20.519 1.00 36.17 N
ATOM 279 H LYS A 30 7.397 20.528 22.662 1.00 0.00 H
ATOM 280 HZ1 LYS A 30 8.838 25.181 20.585 1.00 0.00 H
ATOM 281 HZ2 LYS A 30 10.185 26.073 21.106 1.00 0.00 H
ATOM 282 HZ3 LYS A 30 10.142 25.441 19.531 1.00 0.00 H
ATOM 283 N ASP A 31 5.401 23.183 22.245 1.00 18.95 N
ATOM 284 CA ASP A 31 4.499 24.232 21.794 1.00 20.45 C
ATOM 285 C ASP A 31 3.382 23.785 20.872 1.00 21.56 C
ATOM 286 O ASP A 31 2.634 24.636 20.361 1.00 23.45 O
ATOM 287 CB ASP A 31 5.298 25.339 21.113 1.00 21.42 C
ATOM 288 CG ASP A 31 6.231 24.825 20.027 1.00 26.39 C
ATOM 289 OD1 ASP A 31 6.013 23.695 19.518 1.00 25.20 O
ATOM 290 OD2 ASP A 31 7.181 25.546 19.686 1.00 24.41 O
ATOM 291 H ASP A 31 5.715 22.499 21.621 1.00 0.00 H
ATOM 292 N ASP A 32 3.265 22.484 20.634 1.00 21.07 N
ATOM 293 CA ASP A 32 2.221 21.961 19.749 1.00 21.22 C
ATOM 294 C ASP A 32 2.374 22.381 18.293 1.00 20.57 C
ATOM 295 O ASP A 32 1.426 22.253 17.511 1.00 22.37 O
ATOM 296 CB ASP A 32 0.809 22.358 20.226 1.00 23.08 C
ATOM 297 CG ASP A 32 0.375 21.651 21.495 1.00 25.24 C
ATOM 298 OD1 ASP A 32 1.027 20.663 21.882 1.00 26.63 O
ATOM 299 OD2 ASP A 32 -0.615 22.083 22.104 1.00 26.97 O
ATOM 300 H ASP A 32 3.881 21.858 21.068 1.00 0.00 H
ATOM 301 N TRP A 33 3.525 22.886 17.903 1.00 18.75 N
ATOM 302 CA TRP A 33 3.708 23.213 16.488 1.00 20.17 C
ATOM 303 C TRP A 33 3.768 21.917 15.706 1.00 20.21 C
ATOM 304 O TRP A 33 4.182 20.893 16.259 1.00 20.80 O
ATOM 305 CB TRP A 33 4.991 24.009 16.266 1.00 20.31 C
ATOM 306 CG TRP A 33 4.872 25.450 16.661 1.00 22.77 C
ATOM 307 CD1 TRP A 33 4.129 25.972 17.696 1.00 23.36 C
ATOM 308 CD2 TRP A 33 5.470 26.570 15.984 1.00 23.95 C
ATOM 309 NE1 TRP A 33 4.240 27.334 17.673 1.00 22.96 N
ATOM 310 CE2 TRP A 33 5.046 27.743 16.657 1.00 22.56 C
ATOM 311 CE3 TRP A 33 6.318 26.696 14.877 1.00 22.29 C
ATOM 312 CZ2 TRP A 33 5.442 29.023 16.257 1.00 24.90 C
ATOM 313 CZ3 TRP A 33 6.702 27.969 14.481 1.00 25.00 C
ATOM 314 CH2 TRP A 33 6.268 29.117 15.169 1.00 24.02 C
ATOM 315 H TRP A 33 4.245 23.030 18.542 1.00 0.00 H
ATOM 316 HE1 TRP A 33 3.780 27.938 18.295 1.00 0.00 H
ATOM 317 N VAL A 34 3.368 21.950 14.440 1.00 20.68 N
ATOM 318 CA VAL A 34 3.355 20.734 13.613 1.00 18.96 C
ATOM 319 C VAL A 34 4.219 20.947 12.371 1.00 20.18 C
ATOM 320 O VAL A 34 4.331 22.074 11.871 1.00 18.53 O
ATOM 321 CB VAL A 34 1.892 20.385 13.183 1.00 20.63 C
ATOM 322 CG1 VAL A 34 1.843 19.102 12.349 1.00 17.40 C
ATOM 323 CG2 VAL A 34 1.006 20.252 14.422 1.00 19.03 C
ATOM 324 H VAL A 34 3.075 22.803 14.050 1.00 0.00 H
ATOM 325 N ASN A 35 4.858 19.876 11.891 1.00 18.57 N
ATOM 326 CA ASN A 35 5.684 19.962 10.692 1.00 18.84 C
ATOM 327 C ASN A 35 4.771 20.026 9.459 1.00 19.27 C
ATOM 328 O ASN A 35 4.149 19.040 9.101 1.00 20.41 O
ATOM 329 CB ASN A 35 6.607 18.737 10.627 1.00 18.29 C
ATOM 330 CG ASN A 35 7.711 18.858 9.586 1.00 19.87 C
ATOM 331 OD1 ASN A 35 7.497 19.373 8.481 1.00 23.76 O
ATOM 332 ND2 ASN A 35 8.909 18.410 9.922 1.00 17.21 N
ATOM 333 H ASN A 35 4.769 19.017 12.356 1.00 0.00 H
ATOM 334 N ALA A 36 4.686 21.185 8.820 1.00 18.30 N
ATOM 335 CA ALA A 36 3.779 21.366 7.681 1.00 20.19 C
ATOM 336 C ALA A 36 4.218 20.577 6.451 1.00 20.67 C
ATOM 337 O ALA A 36 3.395 20.256 5.596 1.00 21.70 O
ATOM 338 CB ALA A 36 3.662 22.854 7.326 1.00 20.68 C
ATOM 339 H ALA A 36 5.227 21.939 9.126 1.00 0.00 H
ATOM 340 N THR A 37 5.520 20.304 6.337 1.00 20.05 N
ATOM 341 CA THR A 37 6.027 19.490 5.233 1.00 21.46 C
ATOM 342 C THR A 37 5.430 18.061 5.316 1.00 23.26 C
ATOM 343 O THR A 37 5.035 17.455 4.301 1.00 22.30 O
ATOM 344 CB THR A 37 7.565 19.411 5.296 1.00 22.61 C
ATOM 345 OG1 THR A 37 8.110 20.735 5.383 1.00 21.49 O
ATOM 346 CG2 THR A 37 8.117 18.703 4.063 1.00 24.86 C
ATOM 347 H THR A 37 6.144 20.670 6.994 1.00 0.00 H
ATOM 348 HG1 THR A 37 7.816 21.252 4.621 1.00 0.00 H
ATOM 349 N HIS A 38 5.356 17.534 6.551 1.00 22.61 N
ATOM 350 CA HIS A 38 4.747 16.236 6.788 1.00 22.32 C
ATOM 351 C HIS A 38 3.266 16.262 6.404 1.00 23.66 C
ATOM 352 O HIS A 38 2.720 15.268 5.928 1.00 24.58 O
ATOM 353 CB HIS A 38 4.859 15.863 8.257 1.00 20.45 C
ATOM 354 CG HIS A 38 6.246 15.623 8.731 1.00 20.07 C
ATOM 355 ND1 HIS A 38 6.563 15.505 10.070 1.00 19.75 N
ATOM 356 CD2 HIS A 38 7.419 15.519 8.069 1.00 20.62 C
ATOM 357 CE1 HIS A 38 7.858 15.336 10.243 1.00 21.58 C
ATOM 358 NE2 HIS A 38 8.380 15.347 9.033 1.00 21.07 N
ATOM 359 H HIS A 38 5.719 18.035 7.308 1.00 0.00 H
ATOM 360 HD1 HIS A 38 5.914 15.546 10.794 1.00 0.00 H
ATOM 361 HE2 HIS A 38 9.344 15.267 8.845 1.00 0.00 H
ATOM 362 N ILE A 39 2.600 17.377 6.659 1.00 22.79 N
ATOM 363 CA ILE A 39 1.189 17.509 6.277 1.00 25.79 C
ATOM 364 C ILE A 39 1.049 17.441 4.739 1.00 27.01 C
ATOM 365 O ILE A 39 0.113 16.832 4.209 1.00 27.50 O
ATOM 366 CB ILE A 39 0.593 18.857 6.784 1.00 25.78 C
ATOM 367 CG1 ILE A 39 0.451 18.822 8.308 1.00 25.82 C
ATOM 368 CG2 ILE A 39 -0.753 19.136 6.133 1.00 25.83 C
ATOM 369 CD1 ILE A 39 -0.033 20.127 8.900 1.00 26.05 C
ATOM 370 H ILE A 39 3.050 18.121 7.112 1.00 0.00 H
ATOM 371 N LEU A 40 1.986 18.075 4.038 1.00 27.04 N
ATOM 372 CA LEU A 40 1.953 18.101 2.581 1.00 28.05 C
ATOM 373 C LEU A 40 2.329 16.742 1.996 1.00 28.75 C
ATOM 374 O LEU A 40 1.788 16.329 0.960 1.00 29.82 O
ATOM 375 CB LEU A 40 2.879 19.202 2.054 1.00 27.15 C
ATOM 376 CG LEU A 40 2.515 20.627 2.472 1.00 27.87 C
ATOM 377 CD1 LEU A 40 3.470 21.612 1.841 1.00 26.87 C
ATOM 378 CD2 LEU A 40 1.078 20.936 2.072 1.00 27.13 C
ATOM 379 H LEU A 40 2.709 18.541 4.512 1.00 0.00 H
ATOM 380 N LYS A 41 3.242 16.043 2.643 1.00 29.67 N
ATOM 381 CA LYS A 41 3.570 14.693 2.203 1.00 32.88 C
ATOM 382 C LYS A 41 2.353 13.772 2.380 1.00 32.92 C
ATOM 383 O LYS A 41 2.113 12.887 1.562 1.00 33.65 O
ATOM 384 CB LYS A 41 4.764 14.129 2.980 1.00 35.05 C
ATOM 385 CG LYS A 41 6.078 14.828 2.690 1.00 40.79 C
ATOM 386 CD LYS A 41 7.262 14.033 3.222 1.00 45.43 C
ATOM 387 CE LYS A 41 8.571 14.734 2.889 1.00 49.42 C
ATOM 388 NZ LYS A 41 9.755 13.979 3.371 1.00 52.09 N
ATOM 389 H LYS A 41 3.699 16.431 3.415 1.00 0.00 H
ATOM 390 HZ1 LYS A 41 9.699 13.866 4.403 1.00 0.00 H
ATOM 391 HZ2 LYS A 41 9.776 13.041 2.920 1.00 0.00 H
ATOM 392 HZ3 LYS A 41 10.619 14.502 3.124 1.00 0.00 H
ATOM 393 N ALA A 42 1.581 13.997 3.446 1.00 32.20 N
ATOM 394 CA ALA A 42 0.382 13.209 3.702 1.00 32.15 C
ATOM 395 C ALA A 42 -0.678 13.434 2.618 1.00 33.55 C
ATOM 396 O ALA A 42 -1.459 12.535 2.319 1.00 33.31 O
ATOM 397 CB ALA A 42 -0.179 13.540 5.083 1.00 31.12 C
ATOM 398 H ALA A 42 1.831 14.705 4.078 1.00 0.00 H
ATOM 399 N ALA A 43 -0.704 14.637 2.027 1.00 34.01 N
ATOM 400 CA ALA A 43 -1.639 14.935 0.940 1.00 34.26 C
ATOM 401 C ALA A 43 -1.164 14.317 -0.400 1.00 35.09 C
ATOM 402 O ALA A 43 -1.780 14.532 -1.444 1.00 36.00 O
ATOM 403 CB ALA A 43 -1.812 16.443 0.800 1.00 32.11 C
ATOM 404 H ALA A 43 -0.088 15.334 2.334 1.00 0.00 H
ATOM 405 N ASN A 44 -0.054 13.575 -0.350 1.00 35.94 N
ATOM 406 CA ASN A 44 0.485 12.867 -1.520 1.00 37.87 C
ATOM 407 C ASN A 44 1.070 13.799 -2.591 1.00 36.65 C
ATOM 408 O ASN A 44 1.132 13.449 -3.777 1.00 37.27 O
ATOM 409 CB ASN A 44 -0.587 11.961 -2.122 1.00 41.40 C
ATOM 410 CG ASN A 44 -1.094 10.943 -1.116 1.00 46.56 C
ATOM 411 OD1 ASN A 44 -2.261 10.973 -0.701 1.00 49.78 O
ATOM 412 ND2 ASN A 44 -0.215 10.039 -0.707 1.00 48.00 N
ATOM 413 H ASN A 44 0.421 13.500 0.500 1.00 0.00 H
ATOM 414 HD21 ASN A 44 -0.504 9.368 -0.057 1.00 0.00 H
ATOM 415 HD22 ASN A 44 0.693 10.076 -1.076 1.00 0.00 H
ATOM 416 N PHE A 45 1.542 14.961 -2.165 1.00 33.67 N
ATOM 417 CA PHE A 45 2.126 15.914 -3.079 1.00 31.23 C
ATOM 418 C PHE A 45 3.596 15.632 -3.306 1.00 31.80 C
ATOM 419 O PHE A 45 4.332 15.338 -2.381 1.00 32.20 O
ATOM 420 CB PHE A 45 1.945 17.322 -2.540 1.00 31.12 C
ATOM 421 CG PHE A 45 0.517 17.781 -2.553 1.00 33.41 C
ATOM 422 CD1 PHE A 45 -0.390 17.273 -3.496 1.00 32.61 C
ATOM 423 CD2 PHE A 45 0.076 18.765 -1.663 1.00 33.98 C
ATOM 424 CE1 PHE A 45 -1.696 17.732 -3.548 1.00 32.35 C
ATOM 425 CE2 PHE A 45 -1.239 19.230 -1.713 1.00 34.17 C
ATOM 426 CZ PHE A 45 -2.122 18.716 -2.658 1.00 33.76 C
ATOM 427 H PHE A 45 1.504 15.175 -1.209 1.00 0.00 H
ATOM 428 N ALA A 46 4.016 15.712 -4.549 1.00 31.48 N
ATOM 429 CA ALA A 46 5.402 15.509 -4.899 1.00 30.26 C
ATOM 430 C ALA A 46 6.235 16.683 -4.414 1.00 30.35 C
ATOM 431 O ALA A 46 5.724 17.782 -4.212 1.00 28.10 O
ATOM 432 CB ALA A 46 5.546 15.368 -6.420 1.00 30.02 C
ATOM 433 H ALA A 46 3.373 15.924 -5.256 1.00 0.00 H
ATOM 434 N LYS A 47 7.531 16.442 -4.304 1.00 32.10 N
ATOM 435 CA LYS A 47 8.483 17.418 -3.792 1.00 32.24 C
ATOM 436 C LYS A 47 8.395 18.800 -4.429 1.00 30.73 C
ATOM 437 O LYS A 47 8.277 19.801 -3.722 1.00 30.50 O
ATOM 438 CB LYS A 47 9.899 16.853 -3.944 1.00 37.40 C
ATOM 439 CG LYS A 47 10.972 17.841 -3.565 1.00 42.56 C
ATOM 440 CD LYS A 47 12.341 17.207 -3.556 1.00 46.91 C
ATOM 441 CE LYS A 47 13.321 18.163 -2.910 1.00 50.20 C
ATOM 442 NZ LYS A 47 12.820 18.645 -1.584 1.00 52.19 N
ATOM 443 H LYS A 47 7.867 15.565 -4.578 1.00 0.00 H
ATOM 444 HZ1 LYS A 47 12.666 17.831 -0.956 1.00 0.00 H
ATOM 445 HZ2 LYS A 47 13.522 19.283 -1.159 1.00 0.00 H
ATOM 446 HZ3 LYS A 47 11.922 19.155 -1.715 1.00 0.00 H
ATOM 447 N ALA A 48 8.475 18.884 -5.757 1.00 29.18 N
ATOM 448 CA ALA A 48 8.416 20.192 -6.406 1.00 27.07 C
ATOM 449 C ALA A 48 7.120 20.934 -6.061 1.00 26.43 C
ATOM 450 O ALA A 48 7.125 22.153 -5.856 1.00 26.30 O
ATOM 451 CB ALA A 48 8.549 20.032 -7.907 1.00 27.43 C
ATOM 452 H ALA A 48 8.573 18.072 -6.295 1.00 0.00 H
ATOM 453 N LYS A 49 6.004 20.204 -5.990 1.00 25.81 N
ATOM 454 CA LYS A 49 4.739 20.835 -5.644 1.00 25.14 C
ATOM 455 C LYS A 49 4.708 21.228 -4.149 1.00 26.02 C
ATOM 456 O LYS A 49 4.271 22.333 -3.807 1.00 26.28 O
ATOM 457 CB LYS A 49 3.557 19.911 -5.998 1.00 23.26 C
ATOM 458 CG LYS A 49 2.204 20.550 -5.749 1.00 21.88 C
ATOM 459 CD LYS A 49 1.068 19.673 -6.205 1.00 21.75 C
ATOM 460 CE LYS A 49 -0.261 20.341 -5.886 1.00 23.25 C
ATOM 461 NZ LYS A 49 -1.431 19.580 -6.417 1.00 25.36 N
ATOM 462 H LYS A 49 6.035 19.244 -6.171 1.00 0.00 H
ATOM 463 HZ1 LYS A 49 -1.317 19.440 -7.442 1.00 0.00 H
ATOM 464 HZ2 LYS A 49 -1.486 18.656 -5.945 1.00 0.00 H
ATOM 465 HZ3 LYS A 49 -2.302 20.115 -6.235 1.00 0.00 H
ATOM 466 N ARG A 50 5.175 20.346 -3.257 1.00 26.65 N
ATOM 467 CA ARG A 50 5.214 20.698 -1.829 1.00 28.25 C
ATOM 468 C ARG A 50 6.004 21.993 -1.639 1.00 29.71 C
ATOM 469 O ARG A 50 5.571 22.889 -0.911 1.00 29.79 O
ATOM 470 CB ARG A 50 5.861 19.596 -0.974 1.00 28.86 C
ATOM 471 CG ARG A 50 5.095 18.281 -0.903 1.00 29.69 C
ATOM 472 CD ARG A 50 5.631 17.384 0.212 1.00 31.10 C
ATOM 473 NE ARG A 50 7.081 17.183 0.132 1.00 33.71 N
ATOM 474 CZ ARG A 50 7.649 16.086 -0.374 1.00 32.93 C
ATOM 475 NH1 ARG A 50 6.913 15.086 -0.812 1.00 33.08 N
ATOM 476 NH2 ARG A 50 8.962 15.997 -0.433 1.00 34.05 N
ATOM 477 H ARG A 50 5.491 19.468 -3.555 1.00 0.00 H
ATOM 478 HE ARG A 50 7.666 17.894 0.470 1.00 0.00 H
ATOM 479 HH11 ARG A 50 5.915 15.141 -0.768 1.00 0.00 H
ATOM 480 HH12 ARG A 50 7.351 14.268 -1.183 1.00 0.00 H
ATOM 481 HH21 ARG A 50 9.530 16.754 -0.109 1.00 0.00 H
ATOM 482 HH22 ARG A 50 9.390 15.182 -0.821 1.00 0.00 H
ATOM 483 N THR A 51 7.156 22.103 -2.293 1.00 30.60 N
ATOM 484 CA THR A 51 7.940 23.328 -2.202 1.00 34.13 C
ATOM 485 C THR A 51 7.126 24.546 -2.664 1.00 36.23 C
ATOM 486 O THR A 51 7.116 25.572 -1.989 1.00 37.79 O
ATOM 487 CB THR A 51 9.229 23.248 -3.045 1.00 34.90 C
ATOM 488 OG1 THR A 51 10.012 22.129 -2.618 1.00 37.41 O
ATOM 489 CG2 THR A 51 10.053 24.516 -2.883 1.00 34.97 C
ATOM 490 H THR A 51 7.478 21.356 -2.840 1.00 0.00 H
ATOM 491 HG1 THR A 51 10.112 22.153 -1.662 1.00 0.00 H
ATOM 492 N ARG A 52 6.437 24.426 -3.808 1.00 36.91 N
ATOM 493 CA ARG A 52 5.643 25.532 -4.334 1.00 37.18 C
ATOM 494 C ARG A 52 4.606 25.971 -3.336 1.00 36.76 C
ATOM 495 O ARG A 52 4.440 27.160 -3.082 1.00 36.25 O
ATOM 496 CB ARG A 52 4.936 25.144 -5.645 1.00 40.06 C
ATOM 497 CG ARG A 52 5.789 25.346 -6.882 1.00 46.55 C
ATOM 498 CD ARG A 52 5.012 25.112 -8.177 1.00 50.64 C
ATOM 499 NE ARG A 52 4.800 23.686 -8.469 1.00 54.17 N
ATOM 500 CZ ARG A 52 3.586 23.152 -8.595 1.00 55.29 C
ATOM 501 NH1 ARG A 52 2.510 23.914 -8.453 1.00 55.77 N
ATOM 502 NH2 ARG A 52 3.448 21.863 -8.859 1.00 54.72 N
ATOM 503 H ARG A 52 6.465 23.577 -4.298 1.00 0.00 H
ATOM 504 HE ARG A 52 5.582 23.107 -8.573 1.00 0.00 H
ATOM 505 HH11 ARG A 52 2.609 24.886 -8.243 1.00 0.00 H
ATOM 506 HH12 ARG A 52 1.601 23.516 -8.532 1.00 0.00 H
ATOM 507 HH21 ARG A 52 4.256 21.283 -8.962 1.00 0.00 H
ATOM 508 HH22 ARG A 52 2.534 21.466 -8.949 1.00 0.00 H
ATOM 509 N ILE A 53 3.911 25.007 -2.763 1.00 35.47 N
ATOM 510 CA ILE A 53 2.880 25.315 -1.797 1.00 34.72 C
ATOM 511 C ILE A 53 3.469 25.944 -0.519 1.00 36.40 C
ATOM 512 O ILE A 53 2.917 26.915 0.007 1.00 35.83 O
ATOM 513 CB ILE A 53 2.060 24.063 -1.457 1.00 32.23 C
ATOM 514 CG1 ILE A 53 1.312 23.604 -2.722 1.00 29.11 C
ATOM 515 CG2 ILE A 53 1.091 24.371 -0.326 1.00 31.92 C
ATOM 516 CD1 ILE A 53 0.519 22.328 -2.562 1.00 26.86 C
ATOM 517 H ILE A 53 4.101 24.073 -2.991 1.00 0.00 H
ATOM 518 N LEU A 54 4.593 25.421 -0.035 1.00 37.08 N
ATOM 519 CA LEU A 54 5.218 26.007 1.135 1.00 40.29 C
ATOM 520 C LEU A 54 5.580 27.455 0.843 1.00 44.75 C
ATOM 521 O LEU A 54 5.191 28.352 1.593 1.00 46.69 O
ATOM 522 CB LEU A 54 6.455 25.213 1.570 1.00 36.32 C
ATOM 523 CG LEU A 54 6.184 23.848 2.250 1.00 35.63 C
ATOM 524 CD1 LEU A 54 7.482 23.082 2.415 1.00 35.47 C
ATOM 525 CD2 LEU A 54 5.495 24.031 3.599 1.00 32.30 C
ATOM 526 H LEU A 54 4.995 24.636 -0.465 1.00 0.00 H
ATOM 527 N GLU A 55 6.255 27.694 -0.278 1.00 48.95 N
ATOM 528 CA GLU A 55 6.653 29.057 -0.641 1.00 53.87 C
ATOM 529 C GLU A 55 5.475 30.011 -0.879 1.00 55.01 C
ATOM 530 O GLU A 55 5.632 31.220 -0.716 1.00 56.05 O
ATOM 531 CB GLU A 55 7.559 29.061 -1.867 1.00 56.02 C
ATOM 532 CG GLU A 55 8.998 28.661 -1.574 1.00 61.71 C
ATOM 533 CD GLU A 55 9.913 28.817 -2.782 1.00 65.77 C
ATOM 534 OE1 GLU A 55 9.578 29.620 -3.692 1.00 67.68 O
ATOM 535 OE2 GLU A 55 10.972 28.141 -2.825 1.00 67.99 O
ATOM 536 H GLU A 55 6.487 26.949 -0.871 1.00 0.00 H
ATOM 537 N LYS A 56 4.300 29.504 -1.233 1.00 56.16 N
ATOM 538 CA LYS A 56 3.190 30.407 -1.512 1.00 57.49 C
ATOM 539 C LYS A 56 2.177 30.484 -0.374 1.00 57.70 C
ATOM 540 O LYS A 56 1.709 31.565 -0.027 1.00 58.88 O
ATOM 541 CB LYS A 56 2.462 30.010 -2.805 1.00 59.37 C
ATOM 542 CG LYS A 56 3.353 29.694 -4.000 1.00 60.92 C
ATOM 543 CD LYS A 56 4.379 30.776 -4.270 1.00 62.11 C
ATOM 544 CE LYS A 56 5.349 30.325 -5.346 1.00 62.44 C
ATOM 545 NZ LYS A 56 6.619 31.101 -5.312 1.00 63.21 N
ATOM 546 H LYS A 56 4.182 28.533 -1.316 1.00 0.00 H
ATOM 547 HZ1 LYS A 56 6.413 32.110 -5.451 1.00 0.00 H
ATOM 548 HZ2 LYS A 56 7.083 30.968 -4.390 1.00 0.00 H
ATOM 549 HZ3 LYS A 56 7.249 30.768 -6.070 1.00 0.00 H
ATOM 550 N GLU A 57 1.827 29.347 0.196 1.00 57.07 N
ATOM 551 CA GLU A 57 0.797 29.311 1.235 1.00 56.65 C
ATOM 552 C GLU A 57 1.332 29.368 2.684 1.00 54.52 C
ATOM 553 O GLU A 57 0.620 29.824 3.598 1.00 54.61 O
ATOM 554 CB GLU A 57 -0.062 28.043 1.078 1.00 59.13 C
ATOM 555 CG GLU A 57 -1.132 28.102 -0.004 1.00 63.67 C
ATOM 556 CD GLU A 57 -0.571 28.357 -1.387 1.00 67.30 C
ATOM 557 OE1 GLU A 57 -0.072 27.402 -2.017 1.00 69.12 O
ATOM 558 OE2 GLU A 57 -0.632 29.519 -1.849 1.00 70.26 O
ATOM 559 H GLU A 57 2.257 28.521 -0.082 1.00 0.00 H
ATOM 560 N VAL A 58 2.570 28.937 2.917 1.00 49.63 N
ATOM 561 CA VAL A 58 3.017 28.786 4.292 1.00 44.43 C
ATOM 562 C VAL A 58 4.100 29.778 4.744 1.00 42.78 C
ATOM 563 O VAL A 58 4.065 30.242 5.888 1.00 40.70 O
ATOM 564 CB VAL A 58 3.470 27.322 4.534 1.00 43.06 C
ATOM 565 CG1 VAL A 58 3.795 27.092 5.998 1.00 40.87 C
ATOM 566 CG2 VAL A 58 2.370 26.369 4.086 1.00 40.46 C
ATOM 567 H VAL A 58 3.172 28.726 2.171 1.00 0.00 H
ATOM 568 N LEU A 59 5.045 30.125 3.873 1.00 39.75 N
ATOM 569 CA LEU A 59 6.126 31.020 4.281 1.00 38.99 C
ATOM 570 C LEU A 59 5.649 32.438 4.643 1.00 38.81 C
ATOM 571 O LEU A 59 6.371 33.182 5.311 1.00 38.40 O
ATOM 572 CB LEU A 59 7.220 31.083 3.218 1.00 40.26 C
ATOM 573 CG LEU A 59 8.011 29.793 2.935 1.00 42.18 C
ATOM 574 CD1 LEU A 59 9.048 30.068 1.854 1.00 43.46 C
ATOM 575 CD2 LEU A 59 8.705 29.285 4.187 1.00 40.89 C
ATOM 576 H LEU A 59 5.019 29.775 2.957 1.00 0.00 H
ATOM 577 N LYS A 60 4.442 32.824 4.220 1.00 37.98 N
ATOM 578 CA LYS A 60 3.900 34.140 4.604 1.00 38.59 C
ATOM 579 C LYS A 60 3.195 34.061 5.973 1.00 36.39 C
ATOM 580 O LYS A 60 2.649 35.028 6.474 1.00 35.79 O
ATOM 581 CB LYS A 60 2.940 34.673 3.522 1.00 41.34 C
ATOM 582 CG LYS A 60 1.766 33.760 3.171 1.00 47.49 C
ATOM 583 CD LYS A 60 0.876 34.407 2.102 1.00 50.85 C
ATOM 584 CE LYS A 60 -0.508 33.757 2.010 1.00 53.27 C
ATOM 585 NZ LYS A 60 -0.459 32.368 1.466 1.00 54.66 N
ATOM 586 H LYS A 60 3.915 32.232 3.649 1.00 0.00 H
ATOM 587 HZ1 LYS A 60 0.153 31.784 2.070 1.00 0.00 H
ATOM 588 HZ2 LYS A 60 -1.418 31.967 1.451 1.00 0.00 H
ATOM 589 HZ3 LYS A 60 -0.076 32.388 0.500 1.00 0.00 H
ATOM 590 N GLU A 61 3.241 32.884 6.559 1.00 35.74 N
ATOM 591 CA GLU A 61 2.635 32.606 7.849 1.00 34.60 C
ATOM 592 C GLU A 61 3.719 32.560 8.935 1.00 30.62 C
ATOM 593 O GLU A 61 4.924 32.542 8.646 1.00 28.48 O
ATOM 594 CB GLU A 61 1.990 31.214 7.782 1.00 39.66 C
ATOM 595 CG GLU A 61 0.636 31.096 8.418 1.00 45.92 C
ATOM 596 CD GLU A 61 -0.377 31.877 7.639 1.00 48.95 C
ATOM 597 OE1 GLU A 61 -0.692 31.467 6.495 1.00 51.19 O
ATOM 598 OE2 GLU A 61 -0.850 32.904 8.161 1.00 51.71 O
ATOM 599 H GLU A 61 3.711 32.155 6.108 1.00 0.00 H
ATOM 600 N THR A 62 3.293 32.544 10.171 1.00 27.25 N
ATOM 601 CA THR A 62 4.222 32.307 11.253 1.00 25.63 C
ATOM 602 C THR A 62 4.784 30.874 11.059 1.00 24.77 C
ATOM 603 O THR A 62 4.029 29.932 10.840 1.00 25.37 O
ATOM 604 CB THR A 62 3.489 32.435 12.612 1.00 24.97 C
ATOM 605 OG1 THR A 62 3.032 33.783 12.735 1.00 26.20 O
ATOM 606 CG2 THR A 62 4.398 32.117 13.789 1.00 21.20 C
ATOM 607 H THR A 62 2.346 32.689 10.363 1.00 0.00 H
ATOM 608 HG1 THR A 62 2.683 34.075 11.886 1.00 0.00 H
ATOM 609 N HIS A 63 6.090 30.727 11.103 1.00 22.46 N
ATOM 610 CA HIS A 63 6.689 29.428 10.867 1.00 21.88 C
ATOM 611 C HIS A 63 8.151 29.435 11.272 1.00 22.48 C
ATOM 612 O HIS A 63 8.745 30.495 11.513 1.00 21.68 O
ATOM 613 CB HIS A 63 6.608 29.071 9.366 1.00 20.21 C
ATOM 614 CG HIS A 63 7.519 29.918 8.512 1.00 20.30 C
ATOM 615 ND1 HIS A 63 7.125 31.124 7.953 1.00 21.50 N
ATOM 616 CD2 HIS A 63 8.845 29.800 8.198 1.00 20.65 C
ATOM 617 CE1 HIS A 63 8.126 31.727 7.333 1.00 20.90 C
ATOM 618 NE2 HIS A 63 9.169 30.942 7.478 1.00 21.55 N
ATOM 619 H HIS A 63 6.663 31.500 11.309 1.00 0.00 H
ATOM 620 HD1 HIS A 63 6.209 31.477 7.991 1.00 0.00 H
ATOM 621 HE2 HIS A 63 10.052 31.147 7.133 1.00 0.00 H
ATOM 622 N GLU A 64 8.738 28.251 11.238 1.00 22.95 N
ATOM 623 CA GLU A 64 10.138 28.055 11.535 1.00 23.61 C
ATOM 624 C GLU A 64 10.697 27.100 10.460 1.00 24.98 C
ATOM 625 O GLU A 64 10.132 26.021 10.254 1.00 24.19 O
ATOM 626 CB GLU A 64 10.199 27.431 12.901 1.00 25.13 C
ATOM 627 CG GLU A 64 11.558 27.257 13.499 1.00 33.54 C
ATOM 628 CD GLU A 64 11.474 26.481 14.804 1.00 36.59 C
ATOM 629 OE1 GLU A 64 10.501 26.685 15.558 1.00 36.12 O
ATOM 630 OE2 GLU A 64 12.376 25.665 15.070 1.00 41.18 O
ATOM 631 H GLU A 64 8.200 27.468 10.997 1.00 0.00 H
ATOM 632 N LYS A 65 11.739 27.531 9.737 1.00 24.36 N
ATOM 633 CA LYS A 65 12.353 26.718 8.693 1.00 28.24 C
ATOM 634 C LYS A 65 13.510 25.954 9.251 1.00 28.33 C
ATOM 635 O LYS A 65 14.585 26.503 9.412 1.00 28.08 O
ATOM 636 CB LYS A 65 12.896 27.587 7.556 1.00 31.73 C
ATOM 637 CG LYS A 65 12.049 27.649 6.299 1.00 36.91 C
ATOM 638 CD LYS A 65 12.165 29.023 5.643 1.00 40.14 C
ATOM 639 CE LYS A 65 11.933 30.111 6.681 1.00 39.32 C
ATOM 640 NZ LYS A 65 11.630 31.435 6.088 1.00 36.54 N
ATOM 641 H LYS A 65 12.110 28.420 9.924 1.00 0.00 H
ATOM 642 HZ1 LYS A 65 12.425 31.734 5.487 1.00 0.00 H
ATOM 643 HZ2 LYS A 65 10.766 31.367 5.511 1.00 0.00 H
ATOM 644 HZ3 LYS A 65 11.487 32.131 6.847 1.00 0.00 H
ATOM 645 N VAL A 66 13.291 24.696 9.552 1.00 31.01 N
ATOM 646 CA VAL A 66 14.358 23.851 10.050 1.00 34.94 C
ATOM 647 C VAL A 66 14.962 23.049 8.896 1.00 39.67 C
ATOM 648 O VAL A 66 14.428 22.006 8.483 1.00 37.52 O
ATOM 649 CB VAL A 66 13.862 22.887 11.168 1.00 34.61 C
ATOM 650 CG1 VAL A 66 14.973 21.935 11.594 1.00 33.81 C
ATOM 651 CG2 VAL A 66 13.401 23.687 12.375 1.00 34.49 C
ATOM 652 H VAL A 66 12.388 24.323 9.443 1.00 0.00 H
ATOM 653 N GLN A 67 16.040 23.586 8.332 1.00 46.01 N
ATOM 654 CA GLN A 67 16.763 22.891 7.275 1.00 53.84 C
ATOM 655 C GLN A 67 18.179 22.570 7.732 1.00 58.95 C
ATOM 656 O GLN A 67 19.013 22.109 6.948 1.00 60.26 O
ATOM 657 CB GLN A 67 16.784 23.703 5.985 1.00 53.89 C
ATOM 658 CG GLN A 67 15.426 23.779 5.294 1.00 59.07 C
ATOM 659 CD GLN A 67 14.657 22.452 5.300 1.00 60.32 C
ATOM 660 OE1 GLN A 67 15.031 21.480 4.629 1.00 62.98 O
ATOM 661 NE2 GLN A 67 13.571 22.404 6.053 1.00 59.66 N
ATOM 662 H GLN A 67 16.348 24.470 8.627 1.00 0.00 H
ATOM 663 HE21 GLN A 67 13.049 21.578 6.062 1.00 0.00 H
ATOM 664 HE22 GLN A 67 13.328 23.200 6.571 1.00 0.00 H
ATOM 665 N GLY A 68 18.428 22.811 9.025 1.00 63.66 N
ATOM 666 CA GLY A 68 19.718 22.513 9.608 1.00 67.82 C
ATOM 667 C GLY A 68 19.631 21.327 10.546 1.00 70.65 C
ATOM 668 O GLY A 68 20.590 20.563 10.690 1.00 72.02 O
ATOM 669 H GLY A 68 17.727 23.193 9.587 1.00 0.00 H
ATOM 670 N GLY A 69 18.484 21.187 11.208 1.00 72.32 N
ATOM 671 CA GLY A 69 18.274 20.048 12.083 1.00 73.41 C
ATOM 672 C GLY A 69 18.041 18.789 11.270 1.00 73.97 C
ATOM 673 O GLY A 69 16.899 18.441 10.969 1.00 75.24 O
ATOM 674 H GLY A 69 17.778 21.853 11.102 1.00 0.00 H
ATOM 675 N PHE A 70 19.137 18.135 10.900 1.00 73.39 N
ATOM 676 CA PHE A 70 19.106 16.920 10.080 1.00 72.45 C
ATOM 677 C PHE A 70 18.165 15.833 10.606 1.00 69.47 C
ATOM 678 O PHE A 70 18.036 15.622 11.819 1.00 69.28 O
ATOM 679 CB PHE A 70 20.534 16.352 9.963 1.00 77.03 C
ATOM 680 CG PHE A 70 20.600 14.896 9.586 1.00 79.94 C
ATOM 681 CD1 PHE A 70 20.367 14.492 8.269 1.00 81.63 C
ATOM 682 CD2 PHE A 70 20.858 13.920 10.561 1.00 80.76 C
ATOM 683 CE1 PHE A 70 20.384 13.141 7.933 1.00 82.97 C
ATOM 684 CE2 PHE A 70 20.875 12.571 10.232 1.00 81.33 C
ATOM 685 CZ PHE A 70 20.638 12.181 8.917 1.00 82.90 C
ATOM 686 H PHE A 70 20.007 18.487 11.182 1.00 0.00 H
ATOM 687 N GLY A 71 17.534 15.127 9.666 1.00 65.37 N
ATOM 688 CA GLY A 71 16.681 14.014 10.024 1.00 60.61 C
ATOM 689 C GLY A 71 15.251 14.174 9.548 1.00 56.43 C
ATOM 690 O GLY A 71 14.949 15.071 8.766 1.00 56.11 O
ATOM 691 H GLY A 71 17.632 15.378 8.724 1.00 0.00 H
ATOM 692 N LYS A 72 14.367 13.295 10.036 1.00 51.93 N
ATOM 693 CA LYS A 72 12.939 13.359 9.704 1.00 47.12 C
ATOM 694 C LYS A 72 12.312 14.620 10.322 1.00 42.99 C
ATOM 695 O LYS A 72 11.172 14.976 10.019 1.00 41.22 O
ATOM 696 CB LYS A 72 12.214 12.127 10.263 1.00 47.52 C
ATOM 697 CG LYS A 72 12.828 10.789 9.890 1.00 47.51 C
ATOM 698 CD LYS A 72 13.208 9.975 11.122 1.00 45.89 C
ATOM 699 CE LYS A 72 12.024 9.749 12.053 1.00 45.99 C
ATOM 700 NZ LYS A 72 10.946 8.941 11.439 1.00 43.61 N
ATOM 701 H LYS A 72 14.682 12.587 10.635 1.00 0.00 H
ATOM 702 HZ1 LYS A 72 10.620 9.405 10.566 1.00 0.00 H
ATOM 703 HZ2 LYS A 72 11.311 7.995 11.214 1.00 0.00 H
ATOM 704 HZ3 LYS A 72 10.153 8.856 12.105 1.00 0.00 H
ATOM 705 N TYR A 73 13.084 15.252 11.211 1.00 38.82 N
ATOM 706 CA TYR A 73 12.666 16.439 11.926 1.00 35.13 C
ATOM 707 C TYR A 73 12.654 17.679 11.023 1.00 33.18 C
ATOM 708 O TYR A 73 11.879 18.607 11.253 1.00 30.17 O
ATOM 709 CB TYR A 73 13.600 16.649 13.125 1.00 32.68 C
ATOM 710 CG TYR A 73 13.198 17.796 14.018 1.00 32.41 C
ATOM 711 CD1 TYR A 73 12.116 17.691 14.884 1.00 31.25 C
ATOM 712 CD2 TYR A 73 13.835 19.025 13.921 1.00 32.40 C
ATOM 713 CE1 TYR A 73 11.679 18.785 15.613 1.00 30.72 C
ATOM 714 CE2 TYR A 73 13.400 20.120 14.644 1.00 32.39 C
ATOM 715 CZ TYR A 73 12.317 19.993 15.478 1.00 30.86 C
ATOM 716 OH TYR A 73 11.840 21.094 16.130 1.00 32.23 O
ATOM 717 H TYR A 73 13.974 14.893 11.393 1.00 0.00 H
ATOM 718 HH TYR A 73 12.352 21.867 15.869 1.00 0.00 H
ATOM 719 N GLN A 74 13.525 17.690 10.013 1.00 31.23 N
ATOM 720 CA GLN A 74 13.605 18.814 9.066 1.00 29.72 C
ATOM 721 C GLN A 74 12.254 19.162 8.468 1.00 26.23 C
ATOM 722 O GLN A 74 11.409 18.291 8.229 1.00 24.41 O
ATOM 723 CB GLN A 74 14.535 18.475 7.902 1.00 33.74 C
ATOM 724 CG GLN A 74 16.010 18.494 8.213 1.00 41.63 C
ATOM 725 CD GLN A 74 16.825 17.988 7.039 1.00 47.74 C
ATOM 726 OE1 GLN A 74 17.535 16.971 7.143 1.00 52.12 O
ATOM 727 NE2 GLN A 74 16.728 18.678 5.908 1.00 49.67 N
ATOM 728 H GLN A 74 14.129 16.927 9.898 1.00 0.00 H
ATOM 729 HE21 GLN A 74 17.240 18.365 5.133 1.00 0.00 H
ATOM 730 HE22 GLN A 74 16.152 19.471 5.887 1.00 0.00 H
ATOM 731 N GLY A 75 12.066 20.432 8.182 1.00 24.61 N
ATOM 732 CA GLY A 75 10.849 20.850 7.522 1.00 22.59 C
ATOM 733 C GLY A 75 10.439 22.235 7.929 1.00 22.00 C
ATOM 734 O GLY A 75 11.189 22.944 8.595 1.00 20.96 O
ATOM 735 H GLY A 75 12.741 21.096 8.433 1.00 0.00 H
ATOM 736 N THR A 76 9.267 22.641 7.507 1.00 22.18 N
ATOM 737 CA THR A 76 8.739 23.926 7.925 1.00 23.13 C
ATOM 738 C THR A 76 7.705 23.707 9.012 1.00 21.22 C
ATOM 739 O THR A 76 6.677 23.047 8.785 1.00 20.41 O
ATOM 740 CB THR A 76 8.129 24.677 6.750 1.00 22.98 C
ATOM 741 OG1 THR A 76 9.172 24.951 5.823 1.00 23.34 O
ATOM 742 CG2 THR A 76 7.529 25.993 7.203 1.00 22.12 C
ATOM 743 H THR A 76 8.743 22.073 6.908 1.00 0.00 H
ATOM 744 HG1 THR A 76 9.671 24.146 5.648 1.00 0.00 H
ATOM 745 N TRP A 77 8.007 24.190 10.198 1.00 18.01 N
ATOM 746 CA TRP A 77 7.115 24.000 11.334 1.00 19.61 C
ATOM 747 C TRP A 77 6.172 25.179 11.495 1.00 20.15 C
ATOM 748 O TRP A 77 6.569 26.324 11.307 1.00 21.17 O
ATOM 749 CB TRP A 77 7.954 23.797 12.587 1.00 18.45 C
ATOM 750 CG TRP A 77 8.738 22.517 12.563 1.00 16.73 C
ATOM 751 CD1 TRP A 77 9.924 22.262 11.889 1.00 19.52 C
ATOM 752 CD2 TRP A 77 8.383 21.314 13.246 1.00 16.18 C
ATOM 753 NE1 TRP A 77 10.287 20.964 12.134 1.00 18.03 N
ATOM 754 CE2 TRP A 77 9.378 20.351 12.952 1.00 18.24 C
ATOM 755 CE3 TRP A 77 7.303 20.950 14.076 1.00 15.09 C
ATOM 756 CZ2 TRP A 77 9.333 19.052 13.464 1.00 17.80 C
ATOM 757 CZ3 TRP A 77 7.263 19.657 14.586 1.00 16.17 C
ATOM 758 CH2 TRP A 77 8.271 18.728 14.275 1.00 16.88 C
ATOM 759 H TRP A 77 8.844 24.682 10.320 1.00 0.00 H
ATOM 760 HE1 TRP A 77 11.083 20.525 11.763 1.00 0.00 H
ATOM 761 N VAL A 78 4.940 24.916 11.848 1.00 19.79 N
ATOM 762 CA VAL A 78 3.960 25.992 11.977 1.00 21.20 C
ATOM 763 C VAL A 78 3.102 25.800 13.232 1.00 22.23 C
ATOM 764 O VAL A 78 3.039 24.692 13.785 1.00 20.52 O
ATOM 765 CB VAL A 78 3.014 26.045 10.738 1.00 20.50 C
ATOM 766 CG1 VAL A 78 3.805 26.352 9.464 1.00 19.09 C
ATOM 767 CG2 VAL A 78 2.264 24.722 10.594 1.00 19.19 C
ATOM 768 H VAL A 78 4.670 23.993 12.035 1.00 0.00 H
ATOM 769 N PRO A 79 2.461 26.879 13.729 1.00 22.62 N
ATOM 770 CA PRO A 79 1.579 26.796 14.902 1.00 23.25 C
ATOM 771 C PRO A 79 0.479 25.793 14.613 1.00 23.88 C
ATOM 772 O PRO A 79 0.126 25.577 13.452 1.00 22.74 O
ATOM 773 CB PRO A 79 1.009 28.217 15.030 1.00 22.80 C
ATOM 774 CG PRO A 79 2.089 29.063 14.441 1.00 23.48 C
ATOM 775 CD PRO A 79 2.583 28.279 13.243 1.00 21.77 C
ATOM 776 N LEU A 80 -0.081 25.221 15.664 1.00 25.83 N
ATOM 777 CA LEU A 80 -1.142 24.222 15.543 1.00 26.16 C
ATOM 778 C LEU A 80 -2.338 24.712 14.733 1.00 28.51 C
ATOM 779 O LEU A 80 -2.846 23.991 13.849 1.00 27.56 O
ATOM 780 CB LEU A 80 -1.606 23.815 16.940 1.00 25.96 C
ATOM 781 CG LEU A 80 -2.660 22.728 17.020 1.00 26.73 C
ATOM 782 CD1 LEU A 80 -2.142 21.452 16.363 1.00 25.64 C
ATOM 783 CD2 LEU A 80 -3.028 22.488 18.480 1.00 29.49 C
ATOM 784 H LEU A 80 0.229 25.469 16.557 1.00 0.00 H
ATOM 785 N ASN A 81 -2.811 25.922 15.016 1.00 30.41 N
ATOM 786 CA ASN A 81 -3.989 26.411 14.305 1.00 33.34 C
ATOM 787 C ASN A 81 -3.726 26.541 12.797 1.00 33.24 C
ATOM 788 O ASN A 81 -4.593 26.200 11.979 1.00 32.55 O
ATOM 789 CB ASN A 81 -4.522 27.720 14.912 1.00 36.72 C
ATOM 790 CG ASN A 81 -3.615 28.898 14.707 1.00 41.39 C
ATOM 791 OD1 ASN A 81 -2.520 28.954 15.254 1.00 45.06 O
ATOM 792 ND2 ASN A 81 -4.064 29.855 13.912 1.00 44.46 N
ATOM 793 H ASN A 81 -2.379 26.474 15.701 1.00 0.00 H
ATOM 794 HD21 ASN A 81 -3.494 30.640 13.765 1.00 0.00 H
ATOM 795 HD22 ASN A 81 -4.947 29.746 13.504 1.00 0.00 H
ATOM 796 N ILE A 82 -2.509 26.970 12.436 1.00 33.12 N
ATOM 797 CA ILE A 82 -2.133 27.108 11.022 1.00 33.42 C
ATOM 798 C ILE A 82 -1.996 25.751 10.338 1.00 33.66 C
ATOM 799 O ILE A 82 -2.344 25.611 9.172 1.00 33.06 O
ATOM 800 CB ILE A 82 -0.820 27.882 10.878 1.00 34.68 C
ATOM 801 CG1 ILE A 82 -1.027 29.318 11.381 1.00 35.90 C
ATOM 802 CG2 ILE A 82 -0.364 27.862 9.424 1.00 32.30 C
ATOM 803 CD1 ILE A 82 0.246 30.062 11.708 1.00 36.35 C
ATOM 804 H ILE A 82 -1.856 27.193 13.129 1.00 0.00 H
ATOM 805 N ALA A 83 -1.487 24.751 11.078 1.00 33.47 N
ATOM 806 CA ALA A 83 -1.385 23.383 10.547 1.00 32.68 C
ATOM 807 C ALA A 83 -2.796 22.798 10.314 1.00 32.07 C
ATOM 808 O ALA A 83 -3.034 22.097 9.335 1.00 30.79 O
ATOM 809 CB ALA A 83 -0.586 22.496 11.509 1.00 31.27 C
ATOM 810 H ALA A 83 -1.184 24.937 11.992 1.00 0.00 H
ATOM 811 N LYS A 84 -3.729 23.093 11.215 1.00 33.43 N
ATOM 812 CA LYS A 84 -5.093 22.639 11.041 1.00 35.11 C
ATOM 813 C LYS A 84 -5.693 23.212 9.756 1.00 36.73 C
ATOM 814 O LYS A 84 -6.318 22.491 8.974 1.00 36.83 O
ATOM 815 CB LYS A 84 -5.948 23.050 12.228 1.00 37.36 C
ATOM 816 CG LYS A 84 -5.607 22.354 13.530 1.00 40.04 C
ATOM 817 CD LYS A 84 -6.871 22.073 14.319 1.00 42.74 C
ATOM 818 CE LYS A 84 -6.559 21.578 15.716 1.00 45.28 C
ATOM 819 NZ LYS A 84 -6.384 22.711 16.664 1.00 49.86 N
ATOM 820 H LYS A 84 -3.489 23.619 12.006 1.00 0.00 H
ATOM 821 HZ1 LYS A 84 -5.641 23.348 16.311 1.00 0.00 H
ATOM 822 HZ2 LYS A 84 -7.280 23.233 16.744 1.00 0.00 H
ATOM 823 HZ3 LYS A 84 -6.113 22.344 17.598 1.00 0.00 H
ATOM 824 N GLN A 85 -5.504 24.510 9.535 1.00 37.40 N
ATOM 825 CA GLN A 85 -5.981 25.141 8.298 1.00 38.47 C
ATOM 826 C GLN A 85 -5.414 24.411 7.065 1.00 37.19 C
ATOM 827 O GLN A 85 -6.144 24.015 6.168 1.00 36.76 O
ATOM 828 CB GLN A 85 -5.550 26.617 8.243 1.00 41.65 C
ATOM 829 CG GLN A 85 -6.176 27.513 9.302 1.00 47.67 C
ATOM 830 CD GLN A 85 -5.653 28.953 9.274 1.00 52.44 C
ATOM 831 OE1 GLN A 85 -4.985 29.379 8.321 1.00 53.70 O
ATOM 832 NE2 GLN A 85 -5.956 29.710 10.327 1.00 54.30 N
ATOM 833 H GLN A 85 -5.029 25.050 10.201 1.00 0.00 H
ATOM 834 HE21 GLN A 85 -5.645 30.638 10.336 1.00 0.00 H
ATOM 835 HE22 GLN A 85 -6.483 29.308 11.051 1.00 0.00 H
ATOM 836 N LEU A 86 -4.107 24.239 7.050 1.00 35.90 N
ATOM 837 CA LEU A 86 -3.427 23.593 5.952 1.00 35.57 C
ATOM 838 C LEU A 86 -3.973 22.187 5.705 1.00 36.04 C
ATOM 839 O LEU A 86 -4.216 21.789 4.568 1.00 35.67 O
ATOM 840 CB LEU A 86 -1.940 23.522 6.282 1.00 35.24 C
ATOM 841 CG LEU A 86 -0.979 23.392 5.104 1.00 37.99 C
ATOM 842 CD1 LEU A 86 -1.046 24.641 4.236 1.00 37.21 C
ATOM 843 CD2 LEU A 86 0.434 23.187 5.623 1.00 37.56 C
ATOM 844 H LEU A 86 -3.579 24.563 7.810 1.00 0.00 H
ATOM 845 N ALA A 87 -4.167 21.440 6.774 1.00 37.61 N
ATOM 846 CA ALA A 87 -4.658 20.075 6.672 1.00 40.07 C
ATOM 847 C ALA A 87 -6.071 20.045 6.108 1.00 42.25 C
ATOM 848 O ALA A 87 -6.423 19.123 5.387 1.00 44.08 O
ATOM 849 CB ALA A 87 -4.614 19.402 8.041 1.00 37.62 C
ATOM 850 H ALA A 87 -3.984 21.816 7.658 1.00 0.00 H
ATOM 851 N GLU A 88 -6.881 21.042 6.453 1.00 44.94 N
ATOM 852 CA GLU A 88 -8.250 21.137 5.934 1.00 47.72 C
ATOM 853 C GLU A 88 -8.249 21.462 4.446 1.00 46.92 C
ATOM 854 O GLU A 88 -8.935 20.809 3.652 1.00 46.82 O
ATOM 855 CB GLU A 88 -9.029 22.238 6.647 1.00 51.27 C
ATOM 856 CG GLU A 88 -9.499 21.887 8.035 1.00 58.64 C
ATOM 857 CD GLU A 88 -10.532 22.873 8.532 1.00 63.08 C
ATOM 858 OE1 GLU A 88 -11.497 23.154 7.774 1.00 65.53 O
ATOM 859 OE2 GLU A 88 -10.381 23.370 9.674 1.00 64.92 O
ATOM 860 H GLU A 88 -6.554 21.730 7.069 1.00 0.00 H
ATOM 861 N LYS A 89 -7.484 22.490 4.087 1.00 45.19 N
ATOM 862 CA LYS A 89 -7.401 22.930 2.722 1.00 45.73 C
ATOM 863 C LYS A 89 -7.064 21.776 1.802 1.00 45.59 C
ATOM 864 O LYS A 89 -7.728 21.571 0.792 1.00 46.84 O
ATOM 865 CB LYS A 89 -6.346 24.019 2.592 1.00 46.57 C
ATOM 866 CG LYS A 89 -6.374 24.759 1.269 1.00 49.11 C
ATOM 867 CD LYS A 89 -5.470 25.976 1.314 1.00 52.19 C
ATOM 868 CE LYS A 89 -5.826 26.963 0.216 1.00 55.10 C
ATOM 869 NZ LYS A 89 -5.139 28.274 0.395 1.00 56.62 N
ATOM 870 H LYS A 89 -6.963 22.959 4.773 1.00 0.00 H
ATOM 871 HZ1 LYS A 89 -4.109 28.127 0.406 1.00 0.00 H
ATOM 872 HZ2 LYS A 89 -5.390 28.905 -0.391 1.00 0.00 H
ATOM 873 HZ3 LYS A 89 -5.437 28.704 1.294 1.00 0.00 H
ATOM 874 N PHE A 90 -6.055 21.001 2.163 1.00 44.53 N
ATOM 875 CA PHE A 90 -5.631 19.900 1.314 1.00 44.24 C
ATOM 876 C PHE A 90 -6.275 18.576 1.716 1.00 44.45 C
ATOM 877 O PHE A 90 -5.737 17.496 1.463 1.00 44.80 O
ATOM 878 CB PHE A 90 -4.099 19.837 1.283 1.00 43.69 C
ATOM 879 CG PHE A 90 -3.510 21.100 0.707 1.00 43.58 C
ATOM 880 CD1 PHE A 90 -3.664 21.403 -0.642 1.00 44.38 C
ATOM 881 CD2 PHE A 90 -2.881 22.034 1.523 1.00 44.26 C
ATOM 882 CE1 PHE A 90 -3.212 22.610 -1.165 1.00 43.38 C
ATOM 883 CE2 PHE A 90 -2.425 23.246 1.011 1.00 43.71 C
ATOM 884 CZ PHE A 90 -2.592 23.535 -0.337 1.00 43.90 C
ATOM 885 H PHE A 90 -5.588 21.170 3.009 1.00 0.00 H
ATOM 886 N SER A 91 -7.444 18.690 2.345 1.00 45.17 N
ATOM 887 CA SER A 91 -8.282 17.543 2.686 1.00 45.85 C
ATOM 888 C SER A 91 -7.553 16.348 3.290 1.00 45.16 C
ATOM 889 O SER A 91 -7.662 15.229 2.790 1.00 45.12 O
ATOM 890 CB SER A 91 -9.061 17.113 1.441 1.00 48.12 C
ATOM 891 OG SER A 91 -9.727 18.233 0.864 1.00 51.11 O
ATOM 892 H SER A 91 -7.764 19.584 2.580 1.00 0.00 H
ATOM 893 HG SER A 91 -10.205 17.955 0.079 1.00 0.00 H
ATOM 894 N VAL A 92 -6.811 16.583 4.361 1.00 44.55 N
ATOM 895 CA VAL A 92 -6.196 15.487 5.129 1.00 44.43 C
ATOM 896 C VAL A 92 -6.451 15.690 6.627 1.00 43.59 C
ATOM 897 O VAL A 92 -5.911 14.975 7.471 1.00 42.35 O
ATOM 898 CB VAL A 92 -4.657 15.344 4.880 1.00 44.50 C
ATOM 899 CG1 VAL A 92 -4.413 14.652 3.553 1.00 44.93 C
ATOM 900 CG2 VAL A 92 -3.972 16.697 4.904 1.00 43.55 C
ATOM 901 H VAL A 92 -6.657 17.507 4.637 1.00 0.00 H
ATOM 902 N TYR A 93 -7.311 16.652 6.938 1.00 44.06 N
ATOM 903 CA TYR A 93 -7.606 16.994 8.321 1.00 46.56 C
ATOM 904 C TYR A 93 -8.156 15.815 9.115 1.00 47.20 C
ATOM 905 O TYR A 93 -7.747 15.568 10.249 1.00 45.84 O
ATOM 906 CB TYR A 93 -8.590 18.172 8.392 1.00 48.04 C
ATOM 907 CG TYR A 93 -8.880 18.600 9.814 1.00 51.15 C
ATOM 908 CD1 TYR A 93 -8.058 19.512 10.466 1.00 52.01 C
ATOM 909 CD2 TYR A 93 -9.901 17.996 10.550 1.00 51.74 C
ATOM 910 CE1 TYR A 93 -8.234 19.796 11.806 1.00 53.05 C
ATOM 911 CE2 TYR A 93 -10.083 18.274 11.891 1.00 52.13 C
ATOM 912 CZ TYR A 93 -9.243 19.172 12.513 1.00 53.58 C
ATOM 913 OH TYR A 93 -9.405 19.442 13.848 1.00 56.47 O
ATOM 914 H TYR A 93 -7.753 17.146 6.220 1.00 0.00 H
ATOM 915 HH TYR A 93 -10.182 18.981 14.176 1.00 0.00 H
ATOM 916 N ASP A 94 -9.076 15.086 8.529 1.00 48.64 N
ATOM 917 CA ASP A 94 -9.678 13.962 9.232 1.00 50.01 C
ATOM 918 C ASP A 94 -8.697 12.805 9.419 1.00 49.07 C
ATOM 919 O ASP A 94 -8.827 12.031 10.370 1.00 48.92 O
ATOM 920 CB ASP A 94 -10.964 13.515 8.517 1.00 53.54 C
ATOM 921 CG ASP A 94 -12.120 14.474 8.796 1.00 54.92 C
ATOM 922 OD1 ASP A 94 -12.762 14.329 9.852 1.00 57.73 O
ATOM 923 OD2 ASP A 94 -12.379 15.377 7.969 1.00 56.24 O
ATOM 924 H ASP A 94 -9.357 15.301 7.615 1.00 0.00 H
ATOM 925 N GLN A 95 -7.712 12.698 8.520 1.00 49.21 N
ATOM 926 CA GLN A 95 -6.664 11.678 8.659 1.00 49.95 C
ATOM 927 C GLN A 95 -5.677 12.029 9.780 1.00 48.73 C
ATOM 928 O GLN A 95 -5.206 11.146 10.495 1.00 48.14 O
ATOM 929 CB GLN A 95 -5.871 11.526 7.358 1.00 51.32 C
ATOM 930 CG GLN A 95 -6.617 10.859 6.227 1.00 54.77 C
ATOM 931 CD GLN A 95 -5.805 10.848 4.952 1.00 57.17 C
ATOM 932 OE1 GLN A 95 -4.715 10.277 4.905 1.00 57.65 O
ATOM 933 NE2 GLN A 95 -6.325 11.483 3.912 1.00 58.76 N
ATOM 934 H GLN A 95 -7.694 13.305 7.752 1.00 0.00 H
ATOM 935 HE21 GLN A 95 -5.808 11.509 3.079 1.00 0.00 H
ATOM 936 HE22 GLN A 95 -7.202 11.904 4.016 1.00 0.00 H
ATOM 937 N LEU A 96 -5.360 13.327 9.908 1.00 48.04 N
ATOM 938 CA LEU A 96 -4.374 13.800 10.893 1.00 46.14 C
ATOM 939 C LEU A 96 -5.003 14.231 12.202 1.00 45.87 C
ATOM 940 O LEU A 96 -4.285 14.496 13.166 1.00 44.88 O
ATOM 941 CB LEU A 96 -3.579 14.981 10.323 1.00 43.86 C
ATOM 942 CG LEU A 96 -3.107 14.825 8.881 1.00 43.10 C
ATOM 943 CD1 LEU A 96 -2.080 15.892 8.542 1.00 40.00 C
ATOM 944 CD2 LEU A 96 -2.533 13.432 8.681 1.00 42.10 C
ATOM 945 H LEU A 96 -5.794 13.981 9.318 1.00 0.00 H
ATOM 946 N LYS A 97 -6.332 14.297 12.237 1.00 47.18 N
ATOM 947 CA LYS A 97 -7.053 14.723 13.436 1.00 47.61 C
ATOM 948 C LYS A 97 -6.528 14.080 14.736 1.00 45.43 C
ATOM 949 O LYS A 97 -6.293 14.784 15.717 1.00 44.43 O
ATOM 950 CB LYS A 97 -8.568 14.489 13.291 1.00 50.67 C
ATOM 951 CG LYS A 97 -9.336 15.078 14.463 1.00 56.31 C
ATOM 952 CD LYS A 97 -10.823 15.199 14.216 1.00 59.48 C
ATOM 953 CE LYS A 97 -11.463 16.020 15.331 1.00 61.13 C
ATOM 954 NZ LYS A 97 -12.926 16.202 15.134 1.00 63.44 N
ATOM 955 H LYS A 97 -6.842 14.065 11.432 1.00 0.00 H
ATOM 956 HZ1 LYS A 97 -13.098 16.675 14.224 1.00 0.00 H
ATOM 957 HZ2 LYS A 97 -13.392 15.273 15.137 1.00 0.00 H
ATOM 958 HZ3 LYS A 97 -13.309 16.784 15.906 1.00 0.00 H
ATOM 959 N PRO A 98 -6.334 12.753 14.803 1.00 44.31 N
ATOM 960 CA PRO A 98 -5.818 12.119 16.014 1.00 45.37 C
ATOM 961 C PRO A 98 -4.589 12.847 16.590 1.00 46.45 C
ATOM 962 O PRO A 98 -4.526 13.091 17.795 1.00 47.44 O
ATOM 963 CB PRO A 98 -5.497 10.687 15.575 1.00 43.63 C
ATOM 964 CG PRO A 98 -5.537 10.749 14.086 1.00 44.43 C
ATOM 965 CD PRO A 98 -6.611 11.744 13.777 1.00 43.98 C
ATOM 966 N LEU A 99 -3.638 13.217 15.725 1.00 46.20 N
ATOM 967 CA LEU A 99 -2.427 13.892 16.177 1.00 45.20 C
ATOM 968 C LEU A 99 -2.731 15.288 16.672 1.00 46.29 C
ATOM 969 O LEU A 99 -2.212 15.707 17.705 1.00 45.15 O
ATOM 970 CB LEU A 99 -1.386 13.979 15.053 1.00 42.84 C
ATOM 971 CG LEU A 99 -0.093 14.741 15.389 1.00 41.15 C
ATOM 972 CD1 LEU A 99 0.804 13.895 16.275 1.00 38.20 C
ATOM 973 CD2 LEU A 99 0.626 15.131 14.117 1.00 39.05 C
ATOM 974 H LEU A 99 -3.759 13.036 14.770 1.00 0.00 H
ATOM 975 N PHE A 100 -3.564 16.007 15.933 1.00 48.58 N
ATOM 976 CA PHE A 100 -3.896 17.372 16.305 1.00 52.20 C
ATOM 977 C PHE A 100 -4.517 17.429 17.688 1.00 56.06 C
ATOM 978 O PHE A 100 -4.089 18.213 18.537 1.00 56.52 O
ATOM 979 CB PHE A 100 -4.865 18.008 15.296 1.00 50.34 C
ATOM 980 CG PHE A 100 -4.309 18.236 13.913 1.00 48.52 C
ATOM 981 CD1 PHE A 100 -2.950 18.478 13.717 1.00 46.65 C
ATOM 982 CD2 PHE A 100 -5.158 18.231 12.803 1.00 47.63 C
ATOM 983 CE1 PHE A 100 -2.447 18.713 12.445 1.00 46.95 C
ATOM 984 CE2 PHE A 100 -4.662 18.466 11.530 1.00 46.65 C
ATOM 985 CZ PHE A 100 -3.304 18.707 11.350 1.00 46.70 C
ATOM 986 H PHE A 100 -3.954 15.615 15.124 1.00 0.00 H
ATOM 987 N ASP A 101 -5.517 16.594 17.924 1.00 60.72 N
ATOM 988 CA ASP A 101 -6.204 16.632 19.205 1.00 66.29 C
ATOM 989 C ASP A 101 -5.449 15.864 20.289 1.00 68.12 C
ATOM 990 O ASP A 101 -5.728 16.047 21.477 1.00 69.45 O
ATOM 991 CB ASP A 101 -7.653 16.132 19.071 1.00 68.88 C
ATOM 992 CG ASP A 101 -7.782 14.625 19.028 1.00 72.53 C
ATOM 993 OD1 ASP A 101 -7.085 13.994 18.212 1.00 74.44 O
ATOM 994 OD2 ASP A 101 -8.584 14.071 19.818 1.00 73.84 O
ATOM 995 H ASP A 101 -5.795 15.955 17.233 1.00 0.00 H
ATOM 996 N PHE A 102 -4.497 15.014 19.881 1.00 69.09 N
ATOM 997 CA PHE A 102 -3.676 14.272 20.835 1.00 69.65 C
ATOM 998 C PHE A 102 -3.031 15.235 21.825 1.00 70.64 C
ATOM 999 O PHE A 102 -2.775 14.878 22.974 1.00 72.94 O
ATOM 1000 CB PHE A 102 -2.583 13.502 20.091 1.00 70.00 C
ATOM 1001 CG PHE A 102 -1.745 12.597 20.951 1.00 71.29 C
ATOM 1002 CD1 PHE A 102 -0.639 13.089 21.637 1.00 71.76 C
ATOM 1003 CD2 PHE A 102 -2.053 11.238 21.062 1.00 72.61 C
ATOM 1004 CE1 PHE A 102 0.139 12.248 22.414 1.00 72.74 C
ATOM 1005 CE2 PHE A 102 -1.274 10.387 21.838 1.00 72.58 C
ATOM 1006 CZ PHE A 102 -0.177 10.895 22.516 1.00 73.27 C
ATOM 1007 H PHE A 102 -4.346 14.884 18.921 1.00 0.00 H
TER 1008 PHE A 102
HETATM 1009 O HOH A 401 11.442 26.376 18.419 1.00 38.23 O
HETATM 1010 H1 HOH A 401 12.360 26.094 18.365 1.00 0.00 H
HETATM 1011 H2 HOH A 401 11.489 27.267 18.767 1.00 0.00 H
HETATM 1012 O HOH A 402 8.649 28.512 17.527 1.00 47.94 O
HETATM 1013 H1 HOH A 402 9.202 27.788 17.213 1.00 0.00 H
HETATM 1014 H2 HOH A 402 7.878 28.486 16.957 1.00 0.00 H
HETATM 1015 O HOH A 403 7.263 28.403 19.944 1.00 38.55 O
HETATM 1016 H1 HOH A 403 7.266 27.444 19.925 1.00 0.00 H
HETATM 1017 H2 HOH A 403 7.891 28.655 19.252 1.00 0.00 H
HETATM 1018 O HOH A 404 13.823 23.249 15.906 1.00 61.76 O
HETATM 1019 H1 HOH A 404 14.758 23.159 15.681 1.00 0.00 H
HETATM 1020 H2 HOH A 404 13.741 24.157 16.204 1.00 0.00 H
HETATM 1021 O HOH A 405 8.756 28.493 22.514 1.00 66.03 O
HETATM 1022 H1 HOH A 405 8.339 28.510 21.650 1.00 0.00 H
HETATM 1023 H2 HOH A 405 8.556 29.355 22.893 1.00 0.00 H
HETATM 1024 O HOH A 406 9.224 19.780 22.203 1.00 22.24 O
HETATM 1025 H1 HOH A 406 9.276 19.201 21.436 1.00 0.00 H
HETATM 1026 H2 HOH A 406 9.990 19.533 22.736 1.00 0.00 H
HETATM 1027 O HOH A 407 11.643 19.276 23.871 1.00 44.82 O
HETATM 1028 H1 HOH A 407 12.275 19.960 23.620 1.00 0.00 H
HETATM 1029 H2 HOH A 407 11.978 18.952 24.712 1.00 0.00 H
HETATM 1030 O HOH A 408 7.638 19.412 26.856 1.00 66.34 O
HETATM 1031 H1 HOH A 408 7.334 19.672 27.732 1.00 0.00 H
HETATM 1032 H2 HOH A 408 8.293 18.736 27.024 1.00 0.00 H
HETATM 1033 O HOH A 409 9.788 12.718 23.881 1.00 35.90 O
HETATM 1034 H1 HOH A 409 10.485 13.349 24.074 1.00 0.00 H
HETATM 1035 H2 HOH A 409 9.534 12.912 22.975 1.00 0.00 H
HETATM 1036 O HOH A 410 -7.039 27.560 12.371 1.00 76.53 O
HETATM 1037 H1 HOH A 410 -7.871 27.092 12.461 1.00 0.00 H
HETATM 1038 H2 HOH A 410 -6.381 26.862 12.283 1.00 0.00 H
HETATM 1039 O HOH A 411 10.636 15.015 28.679 1.00 79.82 O
HETATM 1040 H1 HOH A 411 10.754 14.224 29.205 1.00 0.00 H
HETATM 1041 H2 HOH A 411 9.685 15.085 28.566 1.00 0.00 H
HETATM 1042 O HOH A 412 -5.406 19.815 21.604 1.00 67.01 O
HETATM 1043 H1 HOH A 412 -5.059 20.294 22.359 1.00 0.00 H
HETATM 1044 H2 HOH A 412 -5.402 18.897 21.884 1.00 0.00 H
HETATM 1045 O HOH A 413 0.948 26.025 18.289 1.00 28.37 O
HETATM 1046 H1 HOH A 413 1.360 25.442 18.933 1.00 0.00 H
HETATM 1047 H2 HOH A 413 1.280 26.901 18.518 1.00 0.00 H
HETATM 1048 O HOH A 414 2.348 27.103 21.691 1.00 40.51 O
HETATM 1049 H1 HOH A 414 2.244 26.285 21.195 1.00 0.00 H
HETATM 1050 H2 HOH A 414 2.771 27.701 21.073 1.00 0.00 H
HETATM 1051 O HOH A 415 1.783 28.751 19.142 1.00 45.14 O
HETATM 1052 H1 HOH A 415 2.466 29.079 19.741 1.00 0.00 H
HETATM 1053 H2 HOH A 415 1.057 29.370 19.247 1.00 0.00 H
HETATM 1054 O HOH A 416 -1.813 27.629 17.603 1.00 63.33 O
HETATM 1055 H1 HOH A 416 -0.906 27.508 17.899 1.00 0.00 H
HETATM 1056 H2 HOH A 416 -1.823 28.521 17.231 1.00 0.00 H
HETATM 1057 O HOH A 417 0.364 33.475 10.829 1.00 43.72 O
HETATM 1058 H1 HOH A 417 -0.450 33.139 10.448 1.00 0.00 H
HETATM 1059 H2 HOH A 417 0.123 33.712 11.729 1.00 0.00 H
HETATM 1060 O HOH A 418 3.290 35.799 10.789 1.00 45.96 O
HETATM 1061 H1 HOH A 418 2.521 35.871 11.354 1.00 0.00 H
HETATM 1062 H2 HOH A 418 2.954 36.032 9.910 1.00 0.00 H
HETATM 1063 O HOH A 419 8.914 16.633 -7.731 1.00 47.58 O
HETATM 1064 H1 HOH A 419 8.580 16.211 -8.527 1.00 0.00 H
HETATM 1065 H2 HOH A 419 9.739 17.055 -8.014 1.00 0.00 H
HETATM 1066 O HOH A 420 16.804 28.181 7.657 1.00 52.61 O
HETATM 1067 H1 HOH A 420 17.349 28.921 7.925 1.00 0.00 H
HETATM 1068 H2 HOH A 420 17.428 27.548 7.300 1.00 0.00 H
HETATM 1069 O HOH A 421 4.841 5.174 7.671 1.00 54.02 O
HETATM 1070 H1 HOH A 421 4.992 4.811 6.796 1.00 0.00 H
HETATM 1071 H2 HOH A 421 3.969 5.585 7.610 1.00 0.00 H
HETATM 1072 O HOH A 422 6.123 12.466 6.644 1.00 38.59 O
HETATM 1073 H1 HOH A 422 6.354 11.569 6.880 1.00 0.00 H
HETATM 1074 H2 HOH A 422 5.242 12.393 6.258 1.00 0.00 H
HETATM 1075 O HOH A 423 3.623 12.224 6.231 1.00 46.24 O
HETATM 1076 H1 HOH A 423 3.260 11.491 6.732 1.00 0.00 H
HETATM 1077 H2 HOH A 423 3.150 12.995 6.560 1.00 0.00 H
HETATM 1078 O HOH A 424 8.696 11.998 9.005 1.00 59.93 O
HETATM 1079 H1 HOH A 424 7.734 12.042 9.009 1.00 0.00 H
HETATM 1080 H2 HOH A 424 8.947 12.160 9.914 1.00 0.00 H
HETATM 1081 O HOH A 425 8.405 9.129 7.648 1.00 61.20 O
HETATM 1082 H1 HOH A 425 9.210 8.614 7.550 1.00 0.00 H
HETATM 1083 H2 HOH A 425 8.701 9.956 8.049 1.00 0.00 H
HETATM 1084 O HOH A 426 18.447 13.535 15.604 1.00 34.60 O
HETATM 1085 H1 HOH A 426 18.325 12.712 16.083 1.00 0.00 H
HETATM 1086 H2 HOH A 426 17.838 13.470 14.861 1.00 0.00 H
HETATM 1087 O HOH A 427 12.794 20.256 3.954 1.00 62.89 O
HETATM 1088 H1 HOH A 427 13.638 20.705 4.102 1.00 0.00 H
HETATM 1089 H2 HOH A 427 13.034 19.453 3.487 1.00 0.00 H
HETATM 1090 O HOH A 428 8.847 19.809 0.651 1.00 65.07 O
HETATM 1091 H1 HOH A 428 8.427 19.180 1.242 1.00 0.00 H
HETATM 1092 H2 HOH A 428 8.764 20.651 1.101 1.00 0.00 H
HETATM 1093 O HOH A 429 -2.878 19.586 20.641 1.00 55.95 O
HETATM 1094 H1 HOH A 429 -3.712 19.246 20.304 1.00 0.00 H
HETATM 1095 H2 HOH A 429 -2.949 20.533 20.530 1.00 0.00 H
HETATM 1096 O HOH A 430 -3.389 10.814 2.153 1.00 68.44 O
HETATM 1097 H1 HOH A 430 -3.370 10.574 1.223 1.00 0.00 H
HETATM 1098 H2 HOH A 430 -2.731 11.518 2.225 1.00 0.00 H
HETATM 1099 O HOH A 431 7.974 6.841 9.094 1.00 81.57 O
HETATM 1100 H1 HOH A 431 7.873 7.036 8.159 1.00 0.00 H
HETATM 1101 H2 HOH A 431 7.642 5.943 9.185 1.00 0.00 H
HETATM 1102 O HOH A 432 8.985 13.925 -7.061 1.00 46.17 O
HETATM 1103 H1 HOH A 432 9.892 13.636 -6.937 1.00 0.00 H
HETATM 1104 H2 HOH A 432 9.045 14.887 -7.113 1.00 0.00 H
HETATM 1105 O HOH A 433 11.459 17.807 -8.216 1.00 61.98 O
HETATM 1106 H1 HOH A 433 12.207 17.850 -7.615 1.00 0.00 H
HETATM 1107 H2 HOH A 433 11.478 18.651 -8.675 1.00 0.00 H
HETATM 1108 O HOH A 434 -10.484 15.879 5.891 1.00 49.08 O
HETATM 1109 H1 HOH A 434 -10.763 16.064 4.990 1.00 0.00 H
HETATM 1110 H2 HOH A 434 -11.213 16.190 6.431 1.00 0.00 H
HETATM 1111 O HOH A 435 12.930 13.009 26.185 1.00 43.86 O
HETATM 1112 H1 HOH A 435 12.963 13.330 27.087 1.00 0.00 H
HETATM 1113 H2 HOH A 435 13.476 13.625 25.694 1.00 0.00 H
HETATM 1114 O HOH A 436 -3.464 25.858 19.747 1.00 63.70 O
HETATM 1115 H1 HOH A 436 -3.471 26.403 18.954 1.00 0.00 H
HETATM 1116 H2 HOH A 436 -2.587 25.992 20.114 1.00 0.00 H
HETATM 1117 O HOH A 437 6.235 16.677 28.203 1.00 68.03 O
HETATM 1118 H1 HOH A 437 6.291 17.517 28.663 1.00 0.00 H
HETATM 1119 H2 HOH A 437 5.340 16.667 27.835 1.00 0.00 H
HETATM 1120 O HOH A 438 7.423 17.512 -10.650 1.00 57.40 O
HETATM 1121 H1 HOH A 438 7.010 16.951 -9.986 1.00 0.00 H
HETATM 1122 H2 HOH A 438 7.702 16.894 -11.334 1.00 0.00 H
HETATM 1123 O HOH A 439 -5.355 10.866 19.619 1.00 51.92 O
HETATM 1124 H1 HOH A 439 -6.252 10.945 19.294 1.00 0.00 H
HETATM 1125 H2 HOH A 439 -4.871 11.550 19.149 1.00 0.00 H
HETATM 1126 O HOH A 440 -8.867 11.724 17.801 1.00 59.09 O
HETATM 1127 H1 HOH A 440 -8.909 12.448 18.427 1.00 0.00 H
HETATM 1128 H2 HOH A 440 -9.457 11.061 18.162 1.00 0.00 H
HETATM 1129 O HOH A 441 13.107 15.120 7.186 1.00 56.17 O
HETATM 1130 H1 HOH A 441 12.362 15.432 7.708 1.00 0.00 H
HETATM 1131 H2 HOH A 441 13.869 15.225 7.770 1.00 0.00 H
HETATM 1132 O HOH A 442 -2.200 10.629 25.072 1.00 84.96 O
HETATM 1133 H1 HOH A 442 -1.698 11.431 25.238 1.00 0.00 H
HETATM 1134 H2 HOH A 442 -3.040 10.942 24.729 1.00 0.00 H
HETATM 1135 O HOH A 444 1.798 36.196 8.660 1.00 69.55 O
HETATM 1136 H1 HOH A 444 2.171 36.075 7.775 1.00 0.00 H
HETATM 1137 H2 HOH A 444 1.186 35.465 8.757 1.00 0.00 H
HETATM 1138 O HOH A 446 12.829 16.619 28.388 1.00 76.91 O
HETATM 1139 H1 HOH A 446 12.031 17.139 28.283 1.00 0.00 H
HETATM 1140 H2 HOH A 446 12.511 15.764 28.684 1.00 0.00 H
HETATM 1141 O HOH A 447 -1.714 7.995 25.869 1.00 53.32 O
HETATM 1142 H1 HOH A 447 -1.215 7.807 25.076 1.00 0.00 H
HETATM 1143 H2 HOH A 447 -1.895 8.941 25.818 1.00 0.00 H
HETATM 1144 O HOH A 449 17.342 21.354 17.381 1.00 78.08 O
HETATM 1145 H1 HOH A 449 17.257 20.526 17.868 1.00 0.00 H
HETATM 1146 H2 HOH A 449 17.020 22.020 17.988 1.00 0.00 H
HETATM 1147 O HOH A 450 17.554 22.356 21.606 1.00 81.11 O
HETATM 1148 H1 HOH A 450 17.863 21.463 21.445 1.00 0.00 H
HETATM 1149 H2 HOH A 450 18.333 22.902 21.491 1.00 0.00 H
HETATM 1150 O HOH A 451 21.261 19.604 17.525 1.00 60.20 O
HETATM 1151 H1 HOH A 451 21.971 20.078 17.088 1.00 0.00 H
HETATM 1152 H2 HOH A 451 20.490 20.166 17.407 1.00 0.00 H
HETATM 1153 O HOH A 452 20.618 19.027 20.159 1.00 71.08 O
HETATM 1154 H1 HOH A 452 20.831 19.188 19.232 1.00 0.00 H
HETATM 1155 H2 HOH A 452 21.279 18.398 20.447 1.00 0.00 H
HETATM 1156 O HOH A 454 3.691 16.091 27.806 1.00 75.85 O
HETATM 1157 H1 HOH A 454 3.113 15.469 27.354 1.00 0.00 H
HETATM 1158 H2 HOH A 454 3.644 15.832 28.729 1.00 0.00 H
HETATM 1159 O HOH A 456 17.778 15.979 4.727 1.00 87.15 O
HETATM 1160 H1 HOH A 456 17.578 15.048 4.815 1.00 0.00 H
HETATM 1161 H2 HOH A 456 17.841 16.297 5.638 1.00 0.00 H
HETATM 1162 O HOH A 457 2.784 6.732 0.413 1.00 58.64 O
HETATM 1163 H1 HOH A 457 3.270 6.190 1.038 1.00 0.00 H
HETATM 1164 H2 HOH A 457 2.569 6.134 -0.304 1.00 0.00 H
HETATM 1165 O HOH A 458 6.812 6.267 3.872 1.00 78.10 O
HETATM 1166 H1 HOH A 458 6.068 6.869 3.796 1.00 0.00 H
HETATM 1167 H2 HOH A 458 7.515 6.697 3.386 1.00 0.00 H
HETATM 1168 O HOH A 459 11.360 23.250 27.379 1.00 91.15 O
HETATM 1169 H1 HOH A 459 10.875 24.075 27.257 1.00 0.00 H
HETATM 1170 H2 HOH A 459 11.895 23.176 26.588 1.00 0.00 H
HETATM 1171 O HOH A 460 11.533 21.478 -4.909 1.00 61.19 O
HETATM 1172 H1 HOH A 460 11.125 21.466 -4.035 1.00 0.00 H
HETATM 1173 H2 HOH A 460 11.171 22.260 -5.324 1.00 0.00 H
HETATM 1174 O HOH A 461 -2.761 38.231 3.181 1.00 84.62 O
HETATM 1175 H1 HOH A 461 -1.871 38.468 3.455 1.00 0.00 H
HETATM 1176 H2 HOH A 461 -2.645 37.814 2.327 1.00 0.00 H
HETATM 1177 O HOH A 462 -5.015 39.320 4.311 1.00 88.70 O
HETATM 1178 H1 HOH A 462 -4.698 40.216 4.219 1.00 0.00 H
HETATM 1179 H2 HOH A 462 -4.298 38.779 3.950 1.00 0.00 H
HETATM 1180 O HOH A 463 10.179 21.307 3.687 1.00 49.11 O
HETATM 1181 H1 HOH A 463 9.722 21.057 4.495 1.00 0.00 H
HETATM 1182 H2 HOH A 463 11.079 20.973 3.815 1.00 0.00 H
HETATM 1183 O HOH A 464 -1.283 31.486 14.715 1.00 75.28 O
HETATM 1184 H1 HOH A 464 -0.458 31.251 14.289 1.00 0.00 H
HETATM 1185 H2 HOH A 464 -1.540 30.684 15.190 1.00 0.00 H
HETATM 1186 O HOH A 465 -3.174 28.185 6.783 1.00 76.66 O
HETATM 1187 H1 HOH A 465 -3.814 28.666 7.321 1.00 0.00 H
HETATM 1188 H2 HOH A 465 -3.169 28.650 5.944 1.00 0.00 H
HETATM 1189 O HOH A 466 -5.798 24.608 20.375 1.00 86.02 O
HETATM 1190 H1 HOH A 466 -5.419 23.785 20.680 1.00 0.00 H
HETATM 1191 H2 HOH A 466 -5.032 25.168 20.192 1.00 0.00 H
HETATM 1192 O HOH A 467 -10.433 22.178 -0.029 1.00 70.77 O
HETATM 1193 H1 HOH A 467 -10.696 21.582 0.672 1.00 0.00 H
HETATM 1194 H2 HOH A 467 -9.472 22.144 -0.019 1.00 0.00 H
HETATM 1195 O HOH A 468 -12.736 19.373 14.748 1.00 67.61 O
HETATM 1196 H1 HOH A 468 -13.404 19.567 14.089 1.00 0.00 H
HETATM 1197 H2 HOH A 468 -12.581 20.211 15.186 1.00 0.00 H
HETATM 1198 O HOH A 469 -12.719 15.279 19.686 1.00 72.04 O
HETATM 1199 H1 HOH A 469 -11.938 15.746 19.984 1.00 0.00 H
HETATM 1200 H2 HOH A 469 -12.734 14.477 20.208 1.00 0.00 H
HETATM 1201 O HOH A 470 14.152 20.306 23.565 1.00 67.11 O
HETATM 1202 H1 HOH A 470 14.822 20.685 24.137 1.00 0.00 H
HETATM 1203 H2 HOH A 470 14.616 19.594 23.101 1.00 0.00 H
HETATM 1204 O HOH A 471 13.538 23.641 18.923 1.00 71.61 O
HETATM 1205 H1 HOH A 471 13.182 23.149 18.177 1.00 0.00 H
HETATM 1206 H2 HOH A 471 13.920 22.968 19.489 1.00 0.00 H
HETATM 1207 O HOH A 472 -2.426 22.296 24.456 1.00 58.68 O
HETATM 1208 H1 HOH A 472 -1.824 21.550 24.486 1.00 0.00 H
HETATM 1209 H2 HOH A 472 -2.172 22.837 25.206 1.00 0.00 H
HETATM 1210 O HOH A 473 -4.196 19.616 27.496 1.00 73.73 O
HETATM 1211 H1 HOH A 473 -4.186 20.369 28.087 1.00 0.00 H
HETATM 1212 H2 HOH A 473 -3.490 19.052 27.815 1.00 0.00 H
HETATM 1213 O HOH A 474 -3.309 5.980 5.845 1.00 68.19 O
HETATM 1214 H1 HOH A 474 -3.838 5.345 6.332 1.00 0.00 H
HETATM 1215 H2 HOH A 474 -3.906 6.325 5.178 1.00 0.00 H
HETATM 1216 O HOH A 475 17.838 23.280 1.198 1.00 77.31 O
HETATM 1217 H1 HOH A 475 18.005 22.946 2.080 1.00 0.00 H
HETATM 1218 H2 HOH A 475 16.886 23.249 1.107 1.00 0.00 H
HETATM 1219 O HOH A 476 10.307 16.081 6.990 1.00 59.61 O
HETATM 1220 H1 HOH A 476 10.750 16.852 7.367 1.00 0.00 H
HETATM 1221 H2 HOH A 476 10.894 15.787 6.290 1.00 0.00 H
HETATM 1222 O HOH A 477 11.355 23.439 4.466 1.00 66.34 O
HETATM 1223 H1 HOH A 477 10.901 22.829 3.870 1.00 0.00 H
HETATM 1224 H2 HOH A 477 12.059 23.808 3.935 1.00 0.00 H
HETATM 1225 O HOH A 478 17.221 12.554 13.119 1.00 53.33 O
HETATM 1226 H1 HOH A 478 17.675 13.340 12.793 1.00 0.00 H
HETATM 1227 H2 HOH A 478 17.910 11.893 13.189 1.00 0.00 H
HETATM 1228 O HOH A 479 6.483 28.190 5.603 1.00 90.05 O
HETATM 1229 H1 HOH A 479 6.350 28.405 4.680 1.00 0.00 H
HETATM 1230 H2 HOH A 479 6.782 27.278 5.595 1.00 0.00 H
HETATM 1231 O HOH A 480 -1.050 28.108 4.394 1.00 85.46 O
HETATM 1232 H1 HOH A 480 -0.904 27.942 5.328 1.00 0.00 H
HETATM 1233 H2 HOH A 480 -0.405 28.792 4.169 1.00 0.00 H
HETATM 1234 O HOH A 481 7.764 6.413 14.803 1.00 47.44 O
HETATM 1235 H1 HOH A 481 7.927 7.153 15.390 1.00 0.00 H
HETATM 1236 H2 HOH A 481 7.543 6.819 13.965 1.00 0.00 H
HETATM 1237 O HOH A 482 -1.304 30.550 17.203 1.00 47.05 O
HETATM 1238 H1 HOH A 482 -2.121 30.831 17.619 1.00 0.00 H
HETATM 1239 H2 HOH A 482 -0.966 31.348 16.785 1.00 0.00 H
HETATM 1240 O HOH A 484 3.582 11.825 -5.019 1.00 54.04 O
HETATM 1241 H1 HOH A 484 4.118 12.609 -4.883 1.00 0.00 H
HETATM 1242 H2 HOH A 484 2.776 12.157 -5.424 1.00 0.00 H
HETATM 1243 O HOH A 485 10.477 17.818 1.534 1.00 52.39 O
HETATM 1244 H1 HOH A 485 10.080 18.415 0.889 1.00 0.00 H
HETATM 1245 H2 HOH A 485 11.050 18.380 2.054 1.00 0.00 H
HETATM 1246 O HOH A 486 8.350 13.220 -2.518 1.00 51.86 O
HETATM 1247 H1 HOH A 486 7.500 12.811 -2.685 1.00 0.00 H
HETATM 1248 H2 HOH A 486 8.871 13.018 -3.295 1.00 0.00 H
HETATM 1249 O HOH A 487 10.766 31.335 -1.067 1.00 53.16 O
HETATM 1250 H1 HOH A 487 9.819 31.209 -0.984 1.00 0.00 H
HETATM 1251 H2 HOH A 487 11.147 30.557 -0.661 1.00 0.00 H
HETATM 1252 O HOH A 488 -1.322 36.803 5.890 1.00 51.31 O
HETATM 1253 H1 HOH A 488 -2.260 36.695 6.053 1.00 0.00 H
HETATM 1254 H2 HOH A 488 -0.911 36.077 6.358 1.00 0.00 H
HETATM 1255 O HOH A 489 -8.558 12.902 5.180 1.00 53.15 O
HETATM 1256 H1 HOH A 489 -8.421 13.507 4.441 1.00 0.00 H
HETATM 1257 H2 HOH A 489 -9.446 12.564 5.045 1.00 0.00 H
MASTER 234 0 0 4 5 0 0 6 1256 1 0 8
END
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