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+HEADER RIBONUCLEASE INHIBITOR 09-MAY-94 1BTA
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+TITLE THREE-DIMENSIONAL SOLUTION STRUCTURE AND 13C ASSIGNMENTS OF
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+TITLE 2 BARSTAR USING NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
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+COMPND MOL_ID: 1;
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+COMPND 2 MOLECULE: BARSTAR;
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+COMPND 3 CHAIN: A;
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+COMPND 4 ENGINEERED: YES
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+SOURCE MOL_ID: 1;
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+SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS;
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+SOURCE 3 ORGANISM_TAXID: 1390
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+KEYWDS RIBONUCLEASE INHIBITOR
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+EXPDTA SOLUTION NMR
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+AUTHOR M.J.LUBIENSKI,M.BYCROFT,S.M.V.FREUND,A.R.FERSHT
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+REVDAT 2 24-FEB-09 1BTA 1 VERSN
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+REVDAT 1 31-JUL-94 1BTA 0
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+JRNL AUTH M.J.LUBIENSKI,M.BYCROFT,S.M.FREUND,A.R.FERSHT
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+JRNL TITL THREE-DIMENSIONAL SOLUTION STRUCTURE AND 13C
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+JRNL TITL 2 ASSIGNMENTS OF BARSTAR USING NUCLEAR MAGNETIC
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+JRNL TITL 3 RESONANCE SPECTROSCOPY.
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+JRNL REF BIOCHEMISTRY V. 33 8866 1994
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+JRNL REFN ISSN 0006-2960
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+JRNL PMID 8043574
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+JRNL DOI 10.1021/BI00196A003
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+REMARK 1
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+REMARK 1 REFERENCE 1
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+REMARK 1 AUTH R.W.HARTLEY
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+REMARK 1 TITL BARNASE AND BARSTAR: TWO SMALL PROTEINS TO FOLD
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+REMARK 1 TITL 2 AND FIT TOGETHER
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+REMARK 1 REF TRENDS BIOCHEM.SCI. V. 14 450 1989
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+REMARK 1 REFN ISSN 0968-0004
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+REMARK 2
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+REMARK 2 RESOLUTION. NOT APPLICABLE.
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+REMARK 3
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+REMARK 3 REFINEMENT.
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+REMARK 3 PROGRAM : X-PLOR
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+REMARK 3 AUTHORS : BRUNGER
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+REMARK 3
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+REMARK 3 OTHER REFINEMENT REMARKS: NULL
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+REMARK 4
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+REMARK 4 1BTA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
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+REMARK 100
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+REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
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+REMARK 210
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+REMARK 210 EXPERIMENTAL DETAILS
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+REMARK 210 EXPERIMENT TYPE : NMR
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+REMARK 210 TEMPERATURE (KELVIN) : NULL
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+REMARK 210 PH : NULL
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+REMARK 210 IONIC STRENGTH : NULL
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+REMARK 210 PRESSURE : NULL
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+REMARK 210 SAMPLE CONTENTS : NULL
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+REMARK 210
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+REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
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+REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
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+REMARK 210 SPECTROMETER MODEL : NULL
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+REMARK 210 SPECTROMETER MANUFACTURER : NULL
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+REMARK 210
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+REMARK 210 STRUCTURE DETERMINATION.
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+REMARK 210 SOFTWARE USED : NULL
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+REMARK 210 METHOD USED : NULL
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+REMARK 210
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+REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
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+REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
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+REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
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+REMARK 210
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+REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
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+REMARK 210
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+REMARK 210 REMARK: NULL
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+REMARK 215
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+REMARK 215 NMR STUDY
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+REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
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+REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
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+REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
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+REMARK 215 THESE RECORDS ARE MEANINGLESS.
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+REMARK 500
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+REMARK 500 GEOMETRY AND STEREOCHEMISTRY
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+REMARK 500 SUBTOPIC: TORSION ANGLES
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+REMARK 500
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+REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
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+REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
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+REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
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+REMARK 500
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+REMARK 500 STANDARD TABLE:
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+REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
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+REMARK 500
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+REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
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+REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
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+REMARK 500
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+REMARK 500 M RES CSSEQI PSI PHI
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+REMARK 500 PRO A 27 -179.66 -57.36
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+REMARK 500 TYR A 30 105.85 -38.41
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+REMARK 500 GLU A 32 3.60 50.07
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+REMARK 500 TRP A 44 -66.63 177.13
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+REMARK 500 LEU A 62 -32.03 -33.51
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+REMARK 500 GLU A 64 106.99 -12.37
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+REMARK 500 ASN A 65 32.13 73.69
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+REMARK 500 ASP A 83 65.33 -109.29
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+REMARK 500 THR A 85 98.90 -52.92
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+REMARK 500
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+REMARK 500 REMARK: NULL
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+REMARK 500
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+REMARK 500 GEOMETRY AND STEREOCHEMISTRY
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+REMARK 500 SUBTOPIC: PLANAR GROUPS
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+REMARK 500
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+REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
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+REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
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+REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
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+REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
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+REMARK 500 AN RMSD GREATER THAN THIS VALUE
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+REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
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+REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
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+REMARK 500
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+REMARK 500 M RES CSSEQI RMS TYPE
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+REMARK 500 ARG A 11 0.17 SIDE_CHAIN
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+REMARK 500 ARG A 54 0.31 SIDE_CHAIN
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+REMARK 500 ARG A 75 0.11 SIDE_CHAIN
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+REMARK 500
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+REMARK 500 REMARK: NULL
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+REMARK 900
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+REMARK 900 RELATED ENTRIES
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+REMARK 900 RELATED ID: 1BTB RELATED DB: PDB
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+DBREF 1BTA A 1 89 UNP P11540 BARS_BACAM 1 89
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+SEQRES 1 A 89 LYS LYS ALA VAL ILE ASN GLY GLU GLN ILE ARG SER ILE
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+SEQRES 2 A 89 SER ASP LEU HIS GLN THR LEU LYS LYS GLU LEU ALA LEU
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+SEQRES 3 A 89 PRO GLU TYR TYR GLY GLU ASN LEU ASP ALA LEU TRP ASP
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+SEQRES 4 A 89 CYS LEU THR GLY TRP VAL GLU TYR PRO LEU VAL LEU GLU
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+SEQRES 5 A 89 TRP ARG GLN PHE GLU GLN SER LYS GLN LEU THR GLU ASN
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+SEQRES 6 A 89 GLY ALA GLU SER VAL LEU GLN VAL PHE ARG GLU ALA LYS
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+SEQRES 7 A 89 ALA GLU GLY CYS ASP ILE THR ILE ILE LEU SER
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+HELIX 1 H1 SER A 14 ALA A 25 1 12
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+HELIX 2 H2 ASN A 33 GLY A 43 1 11
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+HELIX 3 H3 PHE A 56 THR A 63 1 8
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+HELIX 4 H4 GLU A 68 GLY A 81 1 14
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+SHEET 1 SH1 3 LYS A 1 ASN A 6 0
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+SHEET 2 SH1 3 LEU A 49 ARG A 54 1
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135
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+SHEET 3 SH1 3 ASP A 83 SER A 89 1
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+CISPEP 1 TYR A 47 PRO A 48 0 0.92
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+CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
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+ORIGX1 1.000000 0.000000 0.000000 0.00000
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139
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+ORIGX2 0.000000 1.000000 0.000000 0.00000
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+ORIGX3 0.000000 0.000000 1.000000 0.00000
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+SCALE1 1.000000 0.000000 0.000000 0.00000
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+SCALE2 0.000000 1.000000 0.000000 0.00000
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+SCALE3 0.000000 0.000000 1.000000 0.00000
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+ATOM 1 N LYS A 1 -8.655 5.770 8.371 1.00 1.40 N
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145
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+ATOM 2 CA LYS A 1 -7.542 5.187 9.163 1.00 0.52 C
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146
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+ATOM 3 C LYS A 1 -6.210 5.619 8.561 1.00 0.39 C
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147
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+ATOM 4 O LYS A 1 -6.156 6.468 7.693 1.00 0.33 O
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148
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+ATOM 5 CB LYS A 1 -7.641 3.666 9.159 1.00 1.53 C
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149
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+ATOM 6 CG LYS A 1 -7.750 3.179 10.602 1.00 2.38 C
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150
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+ATOM 7 CD LYS A 1 -9.158 3.466 11.126 1.00 3.11 C
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151
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+ATOM 8 CE LYS A 1 -9.145 4.744 11.965 1.00 3.58 C
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152
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+ATOM 9 NZ LYS A 1 -9.497 4.416 13.375 1.00 4.21 N
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153
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+ATOM 25 N LYS A 2 -5.128 5.066 9.028 1.00 0.51 N
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154
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+ATOM 26 CA LYS A 2 -3.813 5.485 8.490 1.00 0.44 C
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155
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+ATOM 27 C LYS A 2 -2.931 4.277 8.172 1.00 0.41 C
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156
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+ATOM 28 O LYS A 2 -3.040 3.218 8.757 1.00 0.58 O
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157
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+ATOM 29 CB LYS A 2 -3.138 6.383 9.534 1.00 0.63 C
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158
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+ATOM 30 CG LYS A 2 -1.624 6.134 9.604 1.00 1.04 C
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159
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+ATOM 31 CD LYS A 2 -0.967 7.224 10.453 1.00 0.93 C
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160
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+ATOM 32 CE LYS A 2 0.116 7.929 9.634 1.00 0.63 C
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+ATOM 33 NZ LYS A 2 1.057 8.630 10.551 1.00 1.43 N
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+ATOM 47 N ALA A 3 -2.040 4.474 7.250 1.00 0.27 N
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163
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+ATOM 48 CA ALA A 3 -1.086 3.403 6.848 1.00 0.30 C
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+ATOM 49 C ALA A 3 0.316 4.013 6.751 1.00 0.30 C
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165
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+ATOM 50 O ALA A 3 0.469 5.207 6.586 1.00 0.54 O
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166
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+ATOM 51 CB ALA A 3 -1.491 2.834 5.486 1.00 0.34 C
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167
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+ATOM 57 N VAL A 4 1.342 3.214 6.860 1.00 0.30 N
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168
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+ATOM 58 CA VAL A 4 2.725 3.769 6.780 1.00 0.27 C
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169
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+ATOM 59 C VAL A 4 3.643 2.773 6.074 1.00 0.26 C
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170
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+ATOM 60 O VAL A 4 3.842 1.667 6.535 1.00 0.33 O
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171
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+ATOM 61 CB VAL A 4 3.250 4.021 8.194 1.00 0.30 C
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172
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+ATOM 62 CG1 VAL A 4 4.617 4.709 8.122 1.00 0.35 C
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173
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+ATOM 63 CG2 VAL A 4 2.262 4.915 8.946 1.00 0.35 C
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174
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+ATOM 73 N ILE A 5 4.210 3.153 4.961 1.00 0.23 N
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175
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+ATOM 74 CA ILE A 5 5.117 2.213 4.245 1.00 0.23 C
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176
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+ATOM 75 C ILE A 5 6.570 2.567 4.552 1.00 0.25 C
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177
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+ATOM 76 O ILE A 5 7.176 3.388 3.893 1.00 0.27 O
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178
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+ATOM 77 CB ILE A 5 4.879 2.300 2.742 1.00 0.23 C
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179
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+ATOM 78 CG1 ILE A 5 3.360 2.231 2.478 1.00 0.23 C
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180
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+ATOM 79 CG2 ILE A 5 5.620 1.142 2.061 1.00 0.24 C
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181
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+ATOM 80 CD1 ILE A 5 3.034 1.246 1.346 1.00 0.22 C
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182
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+ATOM 92 N ASN A 6 7.134 1.947 5.547 1.00 0.27 N
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183
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+ATOM 93 CA ASN A 6 8.545 2.232 5.905 1.00 0.31 C
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184
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+ATOM 94 C ASN A 6 9.466 1.399 5.009 1.00 0.31 C
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185
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+ATOM 95 O ASN A 6 9.611 0.207 5.189 1.00 0.35 O
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186
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+ATOM 96 CB ASN A 6 8.759 1.859 7.370 1.00 0.37 C
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187
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+ATOM 97 CG ASN A 6 8.067 2.890 8.264 1.00 0.65 C
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188
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+ATOM 98 OD1 ASN A 6 7.534 3.869 7.782 1.00 1.48 O
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189
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+ATOM 99 ND2 ASN A 6 8.054 2.711 9.557 1.00 1.13 N
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190
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+ATOM 106 N GLY A 7 10.078 2.017 4.035 1.00 0.33 N
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191
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+ATOM 107 CA GLY A 7 10.976 1.261 3.114 1.00 0.36 C
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192
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+ATOM 108 C GLY A 7 12.182 0.718 3.879 1.00 0.35 C
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193
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+ATOM 109 O GLY A 7 12.583 -0.414 3.694 1.00 0.46 O
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194
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+ATOM 113 N GLU A 8 12.767 1.509 4.735 1.00 0.38 N
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195
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+ATOM 114 CA GLU A 8 13.946 1.022 5.505 1.00 0.43 C
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196
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+ATOM 115 C GLU A 8 13.659 -0.390 6.019 1.00 0.39 C
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197
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+ATOM 116 O GLU A 8 14.559 -1.170 6.260 1.00 0.45 O
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198
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+ATOM 117 CB GLU A 8 14.207 1.950 6.696 1.00 0.53 C
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199
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+ATOM 118 CG GLU A 8 14.064 3.409 6.256 1.00 1.39 C
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200
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+ATOM 119 CD GLU A 8 14.660 4.324 7.328 1.00 1.74 C
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201
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+ATOM 120 OE1 GLU A 8 14.225 4.232 8.464 1.00 2.30 O
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202
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+ATOM 121 OE2 GLU A 8 15.540 5.100 6.994 1.00 2.19 O
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203
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+ATOM 128 N GLN A 9 12.408 -0.720 6.195 1.00 0.35 N
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204
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+ATOM 129 CA GLN A 9 12.051 -2.069 6.699 1.00 0.38 C
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205
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+ATOM 130 C GLN A 9 11.745 -3.001 5.523 1.00 0.35 C
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206
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+ATOM 131 O GLN A 9 12.213 -4.121 5.468 1.00 0.40 O
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207
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+ATOM 132 CB GLN A 9 10.811 -1.937 7.578 1.00 0.43 C
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208
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+ATOM 133 CG GLN A 9 11.027 -0.819 8.600 1.00 0.50 C
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209
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+ATOM 134 CD GLN A 9 11.790 -1.365 9.805 1.00 1.06 C
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210
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+ATOM 135 OE1 GLN A 9 12.979 -1.155 9.931 1.00 1.97 O
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211
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+ATOM 136 NE2 GLN A 9 11.151 -2.059 10.705 1.00 1.49 N
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212
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+ATOM 145 N ILE A 10 10.952 -2.550 4.591 1.00 0.32 N
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213
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+ATOM 146 CA ILE A 10 10.597 -3.408 3.424 1.00 0.34 C
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214
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+ATOM 147 C ILE A 10 11.825 -4.171 2.934 1.00 0.31 C
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215
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+ATOM 148 O ILE A 10 12.893 -3.617 2.765 1.00 0.35 O
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216
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+ATOM 149 CB ILE A 10 10.059 -2.546 2.281 1.00 0.37 C
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217
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+ATOM 150 CG1 ILE A 10 8.683 -2.005 2.655 1.00 0.51 C
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218
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+ATOM 151 CG2 ILE A 10 9.933 -3.402 1.018 1.00 0.35 C
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219
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+ATOM 152 CD1 ILE A 10 7.689 -3.158 2.715 1.00 0.78 C
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220
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+ATOM 164 N ARG A 11 11.668 -5.440 2.692 1.00 0.33 N
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221
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+ATOM 165 CA ARG A 11 12.794 -6.261 2.200 1.00 0.37 C
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222
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+ATOM 166 C ARG A 11 12.423 -6.834 0.830 1.00 0.39 C
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223
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+ATOM 167 O ARG A 11 13.251 -7.368 0.120 1.00 0.48 O
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224
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+ATOM 168 CB ARG A 11 13.035 -7.400 3.184 1.00 0.50 C
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225
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+ATOM 169 CG ARG A 11 13.677 -6.844 4.458 1.00 0.57 C
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226
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+ATOM 170 CD ARG A 11 15.105 -7.376 4.589 1.00 1.27 C
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227
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+ATOM 171 NE ARG A 11 15.489 -7.404 6.030 1.00 1.87 N
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|
|
228
|
+ATOM 172 CZ ARG A 11 16.544 -8.065 6.417 1.00 2.53 C
|
|
|
229
|
+ATOM 173 NH1 ARG A 11 16.881 -9.170 5.815 1.00 3.26 N
|
|
|
230
|
+ATOM 174 NH2 ARG A 11 17.261 -7.620 7.412 1.00 2.99 N
|
|
|
231
|
+ATOM 188 N SER A 12 11.174 -6.725 0.458 1.00 0.37 N
|
|
|
232
|
+ATOM 189 CA SER A 12 10.732 -7.258 -0.860 1.00 0.45 C
|
|
|
233
|
+ATOM 190 C SER A 12 9.270 -6.869 -1.096 1.00 0.42 C
|
|
|
234
|
+ATOM 191 O SER A 12 8.619 -6.289 -0.242 1.00 0.37 O
|
|
|
235
|
+ATOM 192 CB SER A 12 10.862 -8.781 -0.865 1.00 0.56 C
|
|
|
236
|
+ATOM 193 OG SER A 12 11.282 -9.221 0.419 1.00 1.44 O
|
|
|
237
|
+ATOM 199 N ILE A 13 8.741 -7.185 -2.245 1.00 0.47 N
|
|
|
238
|
+ATOM 200 CA ILE A 13 7.324 -6.831 -2.520 1.00 0.46 C
|
|
|
239
|
+ATOM 201 C ILE A 13 6.445 -7.446 -1.435 1.00 0.41 C
|
|
|
240
|
+ATOM 202 O ILE A 13 5.579 -6.799 -0.887 1.00 0.36 O
|
|
|
241
|
+ATOM 203 CB ILE A 13 6.908 -7.370 -3.892 1.00 0.56 C
|
|
|
242
|
+ATOM 204 CG1 ILE A 13 5.570 -6.749 -4.313 1.00 0.63 C
|
|
|
243
|
+ATOM 205 CG2 ILE A 13 6.753 -8.888 -3.812 1.00 0.64 C
|
|
|
244
|
+ATOM 206 CD1 ILE A 13 5.564 -5.246 -4.010 1.00 0.57 C
|
|
|
245
|
+ATOM 218 N SER A 14 6.669 -8.690 -1.109 1.00 0.46 N
|
|
|
246
|
+ATOM 219 CA SER A 14 5.851 -9.332 -0.047 1.00 0.44 C
|
|
|
247
|
+ATOM 220 C SER A 14 5.859 -8.424 1.179 1.00 0.37 C
|
|
|
248
|
+ATOM 221 O SER A 14 4.837 -8.162 1.781 1.00 0.35 O
|
|
|
249
|
+ATOM 222 CB SER A 14 6.453 -10.689 0.312 1.00 0.50 C
|
|
|
250
|
+ATOM 223 OG SER A 14 5.481 -11.469 0.996 1.00 1.07 O
|
|
|
251
|
+ATOM 229 N ASP A 15 7.009 -7.928 1.541 1.00 0.34 N
|
|
|
252
|
+ATOM 230 CA ASP A 15 7.097 -7.021 2.709 1.00 0.30 C
|
|
|
253
|
+ATOM 231 C ASP A 15 6.187 -5.819 2.475 1.00 0.24 C
|
|
|
254
|
+ATOM 232 O ASP A 15 5.470 -5.386 3.353 1.00 0.23 O
|
|
|
255
|
+ATOM 233 CB ASP A 15 8.536 -6.538 2.871 1.00 0.30 C
|
|
|
256
|
+ATOM 234 CG ASP A 15 9.056 -6.939 4.254 1.00 0.33 C
|
|
|
257
|
+ATOM 235 OD1 ASP A 15 8.483 -7.843 4.840 1.00 1.17 O
|
|
|
258
|
+ATOM 236 OD2 ASP A 15 10.015 -6.335 4.705 1.00 1.08 O
|
|
|
259
|
+ATOM 241 N LEU A 16 6.211 -5.283 1.288 1.00 0.25 N
|
|
|
260
|
+ATOM 242 CA LEU A 16 5.347 -4.111 0.980 1.00 0.23 C
|
|
|
261
|
+ATOM 243 C LEU A 16 3.898 -4.464 1.298 1.00 0.22 C
|
|
|
262
|
+ATOM 244 O LEU A 16 3.233 -3.804 2.073 1.00 0.21 O
|
|
|
263
|
+ATOM 245 CB LEU A 16 5.470 -3.779 -0.505 1.00 0.28 C
|
|
|
264
|
+ATOM 246 CG LEU A 16 4.802 -2.436 -0.784 1.00 0.31 C
|
|
|
265
|
+ATOM 247 CD1 LEU A 16 5.341 -1.386 0.188 1.00 0.31 C
|
|
|
266
|
+ATOM 248 CD2 LEU A 16 5.110 -2.013 -2.219 1.00 0.39 C
|
|
|
267
|
+ATOM 260 N HIS A 17 3.413 -5.509 0.701 1.00 0.22 N
|
|
|
268
|
+ATOM 261 CA HIS A 17 2.018 -5.941 0.944 1.00 0.22 C
|
|
|
269
|
+ATOM 262 C HIS A 17 1.874 -6.363 2.405 1.00 0.19 C
|
|
|
270
|
+ATOM 263 O HIS A 17 0.786 -6.432 2.941 1.00 0.19 O
|
|
|
271
|
+ATOM 264 CB HIS A 17 1.715 -7.120 0.024 1.00 0.26 C
|
|
|
272
|
+ATOM 265 CG HIS A 17 1.994 -6.716 -1.397 1.00 0.32 C
|
|
|
273
|
+ATOM 266 ND1 HIS A 17 1.294 -5.699 -2.026 1.00 0.38 N
|
|
|
274
|
+ATOM 267 CD2 HIS A 17 2.895 -7.181 -2.324 1.00 0.40 C
|
|
|
275
|
+ATOM 268 CE1 HIS A 17 1.779 -5.586 -3.276 1.00 0.44 C
|
|
|
276
|
+ATOM 269 NE2 HIS A 17 2.756 -6.465 -3.510 1.00 0.45 N
|
|
|
277
|
+ATOM 277 N GLN A 18 2.969 -6.639 3.055 1.00 0.19 N
|
|
|
278
|
+ATOM 278 CA GLN A 18 2.905 -7.047 4.475 1.00 0.19 C
|
|
|
279
|
+ATOM 279 C GLN A 18 2.501 -5.844 5.322 1.00 0.17 C
|
|
|
280
|
+ATOM 280 O GLN A 18 1.541 -5.888 6.067 1.00 0.18 O
|
|
|
281
|
+ATOM 281 CB GLN A 18 4.275 -7.553 4.927 1.00 0.21 C
|
|
|
282
|
+ATOM 282 CG GLN A 18 4.092 -8.654 5.975 1.00 0.55 C
|
|
|
283
|
+ATOM 283 CD GLN A 18 5.461 -9.139 6.452 1.00 1.31 C
|
|
|
284
|
+ATOM 284 OE1 GLN A 18 6.390 -8.363 6.557 1.00 2.11 O
|
|
|
285
|
+ATOM 285 NE2 GLN A 18 5.626 -10.399 6.749 1.00 2.02 N
|
|
|
286
|
+ATOM 294 N THR A 19 3.229 -4.764 5.217 1.00 0.17 N
|
|
|
287
|
+ATOM 295 CA THR A 19 2.882 -3.573 6.019 1.00 0.17 C
|
|
|
288
|
+ATOM 296 C THR A 19 1.519 -3.063 5.542 1.00 0.17 C
|
|
|
289
|
+ATOM 297 O THR A 19 0.682 -2.691 6.328 1.00 0.18 O
|
|
|
290
|
+ATOM 298 CB THR A 19 3.976 -2.492 5.860 1.00 0.20 C
|
|
|
291
|
+ATOM 299 OG1 THR A 19 4.593 -2.276 7.121 1.00 0.22 O
|
|
|
292
|
+ATOM 300 CG2 THR A 19 3.371 -1.165 5.396 1.00 0.21 C
|
|
|
293
|
+ATOM 308 N LEU A 20 1.286 -3.056 4.258 1.00 0.16 N
|
|
|
294
|
+ATOM 309 CA LEU A 20 -0.022 -2.590 3.751 1.00 0.18 C
|
|
|
295
|
+ATOM 310 C LEU A 20 -1.104 -3.472 4.365 1.00 0.17 C
|
|
|
296
|
+ATOM 311 O LEU A 20 -2.183 -3.040 4.683 1.00 0.24 O
|
|
|
297
|
+ATOM 312 CB LEU A 20 -0.050 -2.738 2.232 1.00 0.19 C
|
|
|
298
|
+ATOM 313 CG LEU A 20 0.878 -1.705 1.588 1.00 0.20 C
|
|
|
299
|
+ATOM 314 CD1 LEU A 20 0.822 -1.851 0.068 1.00 0.23 C
|
|
|
300
|
+ATOM 315 CD2 LEU A 20 0.434 -0.292 1.981 1.00 0.21 C
|
|
|
301
|
+ATOM 327 N LYS A 21 -0.794 -4.716 4.530 1.00 0.16 N
|
|
|
302
|
+ATOM 328 CA LYS A 21 -1.760 -5.680 5.122 1.00 0.16 C
|
|
|
303
|
+ATOM 329 C LYS A 21 -2.011 -5.324 6.586 1.00 0.17 C
|
|
|
304
|
+ATOM 330 O LYS A 21 -3.123 -5.365 7.059 1.00 0.19 O
|
|
|
305
|
+ATOM 331 CB LYS A 21 -1.173 -7.088 5.035 1.00 0.17 C
|
|
|
306
|
+ATOM 332 CG LYS A 21 -2.174 -8.100 5.593 1.00 0.29 C
|
|
|
307
|
+ATOM 333 CD LYS A 21 -1.414 -9.229 6.292 1.00 0.68 C
|
|
|
308
|
+ATOM 334 CE LYS A 21 -2.407 -10.255 6.837 1.00 1.26 C
|
|
|
309
|
+ATOM 335 NZ LYS A 21 -1.733 -11.101 7.860 1.00 1.94 N
|
|
|
310
|
+ATOM 349 N LYS A 22 -0.991 -4.980 7.317 1.00 0.18 N
|
|
|
311
|
+ATOM 350 CA LYS A 22 -1.204 -4.631 8.741 1.00 0.20 C
|
|
|
312
|
+ATOM 351 C LYS A 22 -2.006 -3.335 8.817 1.00 0.23 C
|
|
|
313
|
+ATOM 352 O LYS A 22 -3.074 -3.277 9.390 1.00 0.29 O
|
|
|
314
|
+ATOM 353 CB LYS A 22 0.142 -4.442 9.432 1.00 0.22 C
|
|
|
315
|
+ATOM 354 CG LYS A 22 0.148 -5.278 10.717 1.00 0.83 C
|
|
|
316
|
+ATOM 355 CD LYS A 22 1.553 -5.339 11.302 1.00 1.43 C
|
|
|
317
|
+ATOM 356 CE LYS A 22 1.494 -6.033 12.671 1.00 2.18 C
|
|
|
318
|
+ATOM 357 NZ LYS A 22 2.827 -6.602 13.001 1.00 2.84 N
|
|
|
319
|
+ATOM 371 N GLU A 23 -1.495 -2.303 8.219 1.00 0.22 N
|
|
|
320
|
+ATOM 372 CA GLU A 23 -2.195 -1.004 8.212 1.00 0.26 C
|
|
|
321
|
+ATOM 373 C GLU A 23 -3.621 -1.224 7.716 1.00 0.24 C
|
|
|
322
|
+ATOM 374 O GLU A 23 -4.587 -1.066 8.436 1.00 0.27 O
|
|
|
323
|
+ATOM 375 CB GLU A 23 -1.450 -0.080 7.250 1.00 0.29 C
|
|
|
324
|
+ATOM 376 CG GLU A 23 -0.006 0.098 7.725 1.00 0.35 C
|
|
|
325
|
+ATOM 377 CD GLU A 23 0.032 1.057 8.914 1.00 1.53 C
|
|
|
326
|
+ATOM 378 OE1 GLU A 23 -1.026 1.364 9.438 1.00 2.29 O
|
|
|
327
|
+ATOM 379 OE2 GLU A 23 1.120 1.471 9.280 1.00 2.27 O
|
|
|
328
|
+ATOM 386 N LEU A 24 -3.737 -1.599 6.480 1.00 0.23 N
|
|
|
329
|
+ATOM 387 CA LEU A 24 -5.066 -1.859 5.871 1.00 0.23 C
|
|
|
330
|
+ATOM 388 C LEU A 24 -5.767 -2.996 6.618 1.00 0.22 C
|
|
|
331
|
+ATOM 389 O LEU A 24 -6.953 -3.209 6.467 1.00 0.24 O
|
|
|
332
|
+ATOM 390 CB LEU A 24 -4.848 -2.277 4.418 1.00 0.21 C
|
|
|
333
|
+ATOM 391 CG LEU A 24 -4.150 -1.150 3.658 1.00 0.25 C
|
|
|
334
|
+ATOM 392 CD1 LEU A 24 -3.120 -1.750 2.701 1.00 0.20 C
|
|
|
335
|
+ATOM 393 CD2 LEU A 24 -5.184 -0.352 2.862 1.00 0.40 C
|
|
|
336
|
+ATOM 405 N ALA A 25 -5.043 -3.736 7.416 1.00 0.21 N
|
|
|
337
|
+ATOM 406 CA ALA A 25 -5.667 -4.860 8.158 1.00 0.22 C
|
|
|
338
|
+ATOM 407 C ALA A 25 -6.369 -5.796 7.170 1.00 0.21 C
|
|
|
339
|
+ATOM 408 O ALA A 25 -7.501 -6.191 7.366 1.00 0.23 O
|
|
|
340
|
+ATOM 409 CB ALA A 25 -6.670 -4.292 9.152 1.00 0.26 C
|
|
|
341
|
+ATOM 415 N LEU A 26 -5.693 -6.152 6.112 1.00 0.21 N
|
|
|
342
|
+ATOM 416 CA LEU A 26 -6.293 -7.062 5.095 1.00 0.24 C
|
|
|
343
|
+ATOM 417 C LEU A 26 -6.438 -8.468 5.690 1.00 0.28 C
|
|
|
344
|
+ATOM 418 O LEU A 26 -5.795 -8.792 6.669 1.00 0.30 O
|
|
|
345
|
+ATOM 419 CB LEU A 26 -5.371 -7.117 3.872 1.00 0.23 C
|
|
|
346
|
+ATOM 420 CG LEU A 26 -4.954 -5.697 3.483 1.00 0.21 C
|
|
|
347
|
+ATOM 421 CD1 LEU A 26 -3.954 -5.751 2.337 1.00 0.26 C
|
|
|
348
|
+ATOM 422 CD2 LEU A 26 -6.187 -4.909 3.043 1.00 0.23 C
|
|
|
349
|
+ATOM 434 N PRO A 27 -7.280 -9.262 5.077 1.00 0.34 N
|
|
|
350
|
+ATOM 435 CA PRO A 27 -7.526 -10.643 5.529 1.00 0.41 C
|
|
|
351
|
+ATOM 436 C PRO A 27 -6.221 -11.438 5.555 1.00 0.39 C
|
|
|
352
|
+ATOM 437 O PRO A 27 -5.165 -10.932 5.233 1.00 0.31 O
|
|
|
353
|
+ATOM 438 CB PRO A 27 -8.489 -11.230 4.490 1.00 0.48 C
|
|
|
354
|
+ATOM 439 CG PRO A 27 -8.880 -10.091 3.514 1.00 0.48 C
|
|
|
355
|
+ATOM 440 CD PRO A 27 -8.054 -8.852 3.890 1.00 0.38 C
|
|
|
356
|
+ATOM 448 N GLU A 28 -6.289 -12.685 5.931 1.00 0.50 N
|
|
|
357
|
+ATOM 449 CA GLU A 28 -5.058 -13.519 5.972 1.00 0.53 C
|
|
|
358
|
+ATOM 450 C GLU A 28 -4.729 -13.997 4.558 1.00 0.49 C
|
|
|
359
|
+ATOM 451 O GLU A 28 -3.622 -14.407 4.273 1.00 0.51 O
|
|
|
360
|
+ATOM 452 CB GLU A 28 -5.295 -14.732 6.871 1.00 0.67 C
|
|
|
361
|
+ATOM 453 CG GLU A 28 -5.557 -14.268 8.305 1.00 1.14 C
|
|
|
362
|
+ATOM 454 CD GLU A 28 -5.237 -15.405 9.276 1.00 1.65 C
|
|
|
363
|
+ATOM 455 OE1 GLU A 28 -4.380 -16.210 8.953 1.00 2.31 O
|
|
|
364
|
+ATOM 456 OE2 GLU A 28 -5.856 -15.452 10.327 1.00 2.20 O
|
|
|
365
|
+ATOM 463 N TYR A 29 -5.686 -13.952 3.671 1.00 0.47 N
|
|
|
366
|
+ATOM 464 CA TYR A 29 -5.426 -14.409 2.279 1.00 0.44 C
|
|
|
367
|
+ATOM 465 C TYR A 29 -5.020 -13.218 1.409 1.00 0.37 C
|
|
|
368
|
+ATOM 466 O TYR A 29 -4.999 -13.312 0.198 1.00 0.38 O
|
|
|
369
|
+ATOM 467 CB TYR A 29 -6.686 -15.061 1.704 1.00 0.51 C
|
|
|
370
|
+ATOM 468 CG TYR A 29 -7.900 -14.250 2.087 1.00 0.66 C
|
|
|
371
|
+ATOM 469 CD1 TYR A 29 -8.300 -13.171 1.290 1.00 1.29 C
|
|
|
372
|
+ATOM 470 CD2 TYR A 29 -8.627 -14.579 3.237 1.00 1.53 C
|
|
|
373
|
+ATOM 471 CE1 TYR A 29 -9.428 -12.421 1.643 1.00 1.43 C
|
|
|
374
|
+ATOM 472 CE2 TYR A 29 -9.756 -13.829 3.590 1.00 1.75 C
|
|
|
375
|
+ATOM 473 CZ TYR A 29 -10.156 -12.750 2.793 1.00 1.24 C
|
|
|
376
|
+ATOM 474 OH TYR A 29 -11.268 -12.011 3.140 1.00 1.57 O
|
|
|
377
|
+ATOM 484 N TYR A 30 -4.694 -12.103 2.017 1.00 0.32 N
|
|
|
378
|
+ATOM 485 CA TYR A 30 -4.275 -10.903 1.222 1.00 0.28 C
|
|
|
379
|
+ATOM 486 C TYR A 30 -3.419 -11.366 0.035 1.00 0.32 C
|
|
|
380
|
+ATOM 487 O TYR A 30 -2.281 -11.759 0.193 1.00 0.38 O
|
|
|
381
|
+ATOM 488 CB TYR A 30 -3.462 -9.958 2.121 1.00 0.29 C
|
|
|
382
|
+ATOM 489 CG TYR A 30 -3.006 -8.741 1.339 1.00 0.20 C
|
|
|
383
|
+ATOM 490 CD1 TYR A 30 -3.750 -8.286 0.243 1.00 0.47 C
|
|
|
384
|
+ATOM 491 CD2 TYR A 30 -1.832 -8.068 1.715 1.00 0.48 C
|
|
|
385
|
+ATOM 492 CE1 TYR A 30 -3.319 -7.163 -0.477 1.00 0.49 C
|
|
|
386
|
+ATOM 493 CE2 TYR A 30 -1.400 -6.943 0.995 1.00 0.49 C
|
|
|
387
|
+ATOM 494 CZ TYR A 30 -2.145 -6.493 -0.102 1.00 0.25 C
|
|
|
388
|
+ATOM 495 OH TYR A 30 -1.724 -5.388 -0.814 1.00 0.36 O
|
|
|
389
|
+ATOM 505 N GLY A 31 -3.974 -11.339 -1.151 1.00 0.39 N
|
|
|
390
|
+ATOM 506 CA GLY A 31 -3.215 -11.796 -2.357 1.00 0.51 C
|
|
|
391
|
+ATOM 507 C GLY A 31 -2.004 -10.892 -2.611 1.00 0.58 C
|
|
|
392
|
+ATOM 508 O GLY A 31 -1.214 -11.146 -3.495 1.00 1.36 O
|
|
|
393
|
+ATOM 512 N GLU A 32 -1.870 -9.835 -1.853 1.00 0.56 N
|
|
|
394
|
+ATOM 513 CA GLU A 32 -0.726 -8.877 -2.011 1.00 0.54 C
|
|
|
395
|
+ATOM 514 C GLU A 32 -0.533 -8.420 -3.470 1.00 0.54 C
|
|
|
396
|
+ATOM 515 O GLU A 32 0.377 -7.671 -3.760 1.00 0.59 O
|
|
|
397
|
+ATOM 516 CB GLU A 32 0.582 -9.491 -1.474 1.00 0.66 C
|
|
|
398
|
+ATOM 517 CG GLU A 32 0.741 -10.947 -1.915 1.00 1.51 C
|
|
|
399
|
+ATOM 518 CD GLU A 32 2.052 -11.506 -1.358 1.00 1.87 C
|
|
|
400
|
+ATOM 519 OE1 GLU A 32 3.044 -10.799 -1.410 1.00 2.36 O
|
|
|
401
|
+ATOM 520 OE2 GLU A 32 2.040 -12.632 -0.890 1.00 2.37 O
|
|
|
402
|
+ATOM 527 N ASN A 33 -1.373 -8.817 -4.389 1.00 0.51 N
|
|
|
403
|
+ATOM 528 CA ASN A 33 -1.203 -8.335 -5.792 1.00 0.53 C
|
|
|
404
|
+ATOM 529 C ASN A 33 -1.891 -6.977 -5.927 1.00 0.50 C
|
|
|
405
|
+ATOM 530 O ASN A 33 -2.423 -6.444 -4.974 1.00 0.56 O
|
|
|
406
|
+ATOM 531 CB ASN A 33 -1.811 -9.321 -6.806 1.00 0.54 C
|
|
|
407
|
+ATOM 532 CG ASN A 33 -2.420 -10.533 -6.096 1.00 0.62 C
|
|
|
408
|
+ATOM 533 OD1 ASN A 33 -1.721 -11.465 -5.752 1.00 1.57 O
|
|
|
409
|
+ATOM 534 ND2 ASN A 33 -3.703 -10.559 -5.864 1.00 0.82 N
|
|
|
410
|
+ATOM 541 N LEU A 34 -1.918 -6.429 -7.107 1.00 0.48 N
|
|
|
411
|
+ATOM 542 CA LEU A 34 -2.609 -5.125 -7.305 1.00 0.47 C
|
|
|
412
|
+ATOM 543 C LEU A 34 -4.108 -5.392 -7.331 1.00 0.40 C
|
|
|
413
|
+ATOM 544 O LEU A 34 -4.911 -4.621 -6.852 1.00 0.37 O
|
|
|
414
|
+ATOM 545 CB LEU A 34 -2.204 -4.539 -8.650 1.00 0.55 C
|
|
|
415
|
+ATOM 546 CG LEU A 34 -0.749 -4.072 -8.606 1.00 0.64 C
|
|
|
416
|
+ATOM 547 CD1 LEU A 34 -0.358 -3.503 -9.971 1.00 0.82 C
|
|
|
417
|
+ATOM 548 CD2 LEU A 34 -0.590 -2.986 -7.539 1.00 0.61 C
|
|
|
418
|
+ATOM 560 N ASP A 35 -4.469 -6.494 -7.911 1.00 0.39 N
|
|
|
419
|
+ATOM 561 CA ASP A 35 -5.897 -6.886 -8.018 1.00 0.36 C
|
|
|
420
|
+ATOM 562 C ASP A 35 -6.467 -7.173 -6.632 1.00 0.30 C
|
|
|
421
|
+ATOM 563 O ASP A 35 -7.614 -6.894 -6.351 1.00 0.28 O
|
|
|
422
|
+ATOM 564 CB ASP A 35 -5.975 -8.167 -8.833 1.00 0.38 C
|
|
|
423
|
+ATOM 565 CG ASP A 35 -5.683 -7.865 -10.303 1.00 0.43 C
|
|
|
424
|
+ATOM 566 OD1 ASP A 35 -6.344 -7.000 -10.853 1.00 1.24 O
|
|
|
425
|
+ATOM 567 OD2 ASP A 35 -4.803 -8.506 -10.856 1.00 1.06 O
|
|
|
426
|
+ATOM 572 N ALA A 36 -5.676 -7.742 -5.769 1.00 0.29 N
|
|
|
427
|
+ATOM 573 CA ALA A 36 -6.180 -8.058 -4.401 1.00 0.25 C
|
|
|
428
|
+ATOM 574 C ALA A 36 -6.124 -6.799 -3.563 1.00 0.22 C
|
|
|
429
|
+ATOM 575 O ALA A 36 -7.111 -6.353 -3.016 1.00 0.22 O
|
|
|
430
|
+ATOM 576 CB ALA A 36 -5.310 -9.125 -3.749 1.00 0.29 C
|
|
|
431
|
+ATOM 582 N LEU A 37 -4.967 -6.217 -3.477 1.00 0.21 N
|
|
|
432
|
+ATOM 583 CA LEU A 37 -4.820 -4.966 -2.697 1.00 0.19 C
|
|
|
433
|
+ATOM 584 C LEU A 37 -5.987 -4.058 -3.064 1.00 0.16 C
|
|
|
434
|
+ATOM 585 O LEU A 37 -6.706 -3.539 -2.224 1.00 0.16 O
|
|
|
435
|
+ATOM 586 CB LEU A 37 -3.502 -4.299 -3.095 1.00 0.21 C
|
|
|
436
|
+ATOM 587 CG LEU A 37 -3.539 -2.815 -2.724 1.00 0.20 C
|
|
|
437
|
+ATOM 588 CD1 LEU A 37 -3.557 -2.667 -1.201 1.00 0.22 C
|
|
|
438
|
+ATOM 589 CD2 LEU A 37 -2.302 -2.115 -3.290 1.00 0.24 C
|
|
|
439
|
+ATOM 601 N TRP A 38 -6.173 -3.884 -4.333 1.00 0.17 N
|
|
|
440
|
+ATOM 602 CA TRP A 38 -7.277 -3.046 -4.821 1.00 0.16 C
|
|
|
441
|
+ATOM 603 C TRP A 38 -8.577 -3.613 -4.303 1.00 0.16 C
|
|
|
442
|
+ATOM 604 O TRP A 38 -9.345 -2.951 -3.643 1.00 0.16 O
|
|
|
443
|
+ATOM 605 CB TRP A 38 -7.315 -3.093 -6.341 1.00 0.18 C
|
|
|
444
|
+ATOM 606 CG TRP A 38 -8.456 -2.267 -6.801 1.00 0.18 C
|
|
|
445
|
+ATOM 607 CD1 TRP A 38 -9.708 -2.718 -6.963 1.00 0.21 C
|
|
|
446
|
+ATOM 608 CD2 TRP A 38 -8.476 -0.860 -7.128 1.00 0.18 C
|
|
|
447
|
+ATOM 609 NE1 TRP A 38 -10.508 -1.672 -7.389 1.00 0.23 N
|
|
|
448
|
+ATOM 610 CE2 TRP A 38 -9.785 -0.502 -7.508 1.00 0.20 C
|
|
|
449
|
+ATOM 611 CE3 TRP A 38 -7.487 0.125 -7.138 1.00 0.17 C
|
|
|
450
|
+ATOM 612 CZ2 TRP A 38 -10.099 0.802 -7.885 1.00 0.22 C
|
|
|
451
|
+ATOM 613 CZ3 TRP A 38 -7.785 1.430 -7.507 1.00 0.19 C
|
|
|
452
|
+ATOM 614 CH2 TRP A 38 -9.093 1.778 -7.885 1.00 0.20 C
|
|
|
453
|
+ATOM 625 N ASP A 39 -8.815 -4.850 -4.599 1.00 0.17 N
|
|
|
454
|
+ATOM 626 CA ASP A 39 -10.061 -5.500 -4.130 1.00 0.18 C
|
|
|
455
|
+ATOM 627 C ASP A 39 -10.283 -5.117 -2.672 1.00 0.18 C
|
|
|
456
|
+ATOM 628 O ASP A 39 -11.394 -5.091 -2.182 1.00 0.21 O
|
|
|
457
|
+ATOM 629 CB ASP A 39 -9.927 -7.017 -4.254 1.00 0.21 C
|
|
|
458
|
+ATOM 630 CG ASP A 39 -10.613 -7.488 -5.537 1.00 0.29 C
|
|
|
459
|
+ATOM 631 OD1 ASP A 39 -10.045 -7.286 -6.598 1.00 1.13 O
|
|
|
460
|
+ATOM 632 OD2 ASP A 39 -11.695 -8.044 -5.438 1.00 1.06 O
|
|
|
461
|
+ATOM 637 N CYS A 40 -9.222 -4.807 -1.977 1.00 0.17 N
|
|
|
462
|
+ATOM 638 CA CYS A 40 -9.354 -4.412 -0.556 1.00 0.19 C
|
|
|
463
|
+ATOM 639 C CYS A 40 -9.797 -2.948 -0.466 1.00 0.19 C
|
|
|
464
|
+ATOM 640 O CYS A 40 -10.745 -2.623 0.218 1.00 0.23 O
|
|
|
465
|
+ATOM 641 CB CYS A 40 -8.001 -4.580 0.132 1.00 0.21 C
|
|
|
466
|
+ATOM 642 SG CYS A 40 -7.334 -6.221 -0.239 1.00 0.58 S
|
|
|
467
|
+ATOM 648 N LEU A 41 -9.117 -2.057 -1.142 1.00 0.17 N
|
|
|
468
|
+ATOM 649 CA LEU A 41 -9.497 -0.625 -1.076 1.00 0.18 C
|
|
|
469
|
+ATOM 650 C LEU A 41 -10.943 -0.424 -1.548 1.00 0.21 C
|
|
|
470
|
+ATOM 651 O LEU A 41 -11.729 0.247 -0.908 1.00 0.45 O
|
|
|
471
|
+ATOM 652 CB LEU A 41 -8.562 0.173 -1.981 1.00 0.17 C
|
|
|
472
|
+ATOM 653 CG LEU A 41 -7.117 -0.285 -1.776 1.00 0.19 C
|
|
|
473
|
+ATOM 654 CD1 LEU A 41 -6.189 0.625 -2.567 1.00 0.18 C
|
|
|
474
|
+ATOM 655 CD2 LEU A 41 -6.760 -0.219 -0.289 1.00 0.31 C
|
|
|
475
|
+ATOM 667 N THR A 42 -11.284 -0.971 -2.679 1.00 0.26 N
|
|
|
476
|
+ATOM 668 CA THR A 42 -12.650 -0.794 -3.226 1.00 0.28 C
|
|
|
477
|
+ATOM 669 C THR A 42 -13.665 -1.664 -2.479 1.00 0.32 C
|
|
|
478
|
+ATOM 670 O THR A 42 -14.826 -1.704 -2.836 1.00 0.55 O
|
|
|
479
|
+ATOM 671 CB THR A 42 -12.649 -1.174 -4.708 1.00 0.26 C
|
|
|
480
|
+ATOM 672 OG1 THR A 42 -11.870 -2.347 -4.894 1.00 0.29 O
|
|
|
481
|
+ATOM 673 CG2 THR A 42 -12.054 -0.026 -5.525 1.00 0.40 C
|
|
|
482
|
+ATOM 681 N GLY A 43 -13.262 -2.363 -1.452 1.00 0.27 N
|
|
|
483
|
+ATOM 682 CA GLY A 43 -14.258 -3.210 -0.729 1.00 0.31 C
|
|
|
484
|
+ATOM 683 C GLY A 43 -13.627 -3.900 0.484 1.00 0.27 C
|
|
|
485
|
+ATOM 684 O GLY A 43 -13.610 -5.112 0.574 1.00 0.32 O
|
|
|
486
|
+ATOM 688 N TRP A 44 -13.125 -3.148 1.425 1.00 0.25 N
|
|
|
487
|
+ATOM 689 CA TRP A 44 -12.519 -3.775 2.630 1.00 0.23 C
|
|
|
488
|
+ATOM 690 C TRP A 44 -11.944 -2.689 3.540 1.00 0.23 C
|
|
|
489
|
+ATOM 691 O TRP A 44 -12.415 -2.466 4.637 1.00 0.27 O
|
|
|
490
|
+ATOM 692 CB TRP A 44 -11.402 -4.721 2.201 1.00 0.24 C
|
|
|
491
|
+ATOM 693 CG TRP A 44 -10.808 -5.362 3.411 1.00 0.26 C
|
|
|
492
|
+ATOM 694 CD1 TRP A 44 -9.735 -4.894 4.085 1.00 0.27 C
|
|
|
493
|
+ATOM 695 CD2 TRP A 44 -11.233 -6.571 4.106 1.00 0.30 C
|
|
|
494
|
+ATOM 696 NE1 TRP A 44 -9.470 -5.739 5.146 1.00 0.31 N
|
|
|
495
|
+ATOM 697 CE2 TRP A 44 -10.366 -6.788 5.202 1.00 0.34 C
|
|
|
496
|
+ATOM 698 CE3 TRP A 44 -12.274 -7.493 3.891 1.00 0.35 C
|
|
|
497
|
+ATOM 699 CZ2 TRP A 44 -10.527 -7.879 6.058 1.00 0.41 C
|
|
|
498
|
+ATOM 700 CZ3 TRP A 44 -12.439 -8.592 4.750 1.00 0.43 C
|
|
|
499
|
+ATOM 701 CH2 TRP A 44 -11.567 -8.785 5.831 1.00 0.45 C
|
|
|
500
|
+ATOM 712 N VAL A 45 -10.925 -2.016 3.089 1.00 0.25 N
|
|
|
501
|
+ATOM 713 CA VAL A 45 -10.304 -0.949 3.912 1.00 0.26 C
|
|
|
502
|
+ATOM 714 C VAL A 45 -11.350 0.112 4.253 1.00 0.25 C
|
|
|
503
|
+ATOM 715 O VAL A 45 -12.264 0.362 3.493 1.00 0.37 O
|
|
|
504
|
+ATOM 716 CB VAL A 45 -9.165 -0.300 3.125 1.00 0.30 C
|
|
|
505
|
+ATOM 717 CG1 VAL A 45 -8.436 0.706 4.017 1.00 0.42 C
|
|
|
506
|
+ATOM 718 CG2 VAL A 45 -8.181 -1.377 2.661 1.00 0.28 C
|
|
|
507
|
+ATOM 728 N GLU A 46 -11.215 0.751 5.382 1.00 0.21 N
|
|
|
508
|
+ATOM 729 CA GLU A 46 -12.197 1.808 5.755 1.00 0.23 C
|
|
|
509
|
+ATOM 730 C GLU A 46 -11.566 3.177 5.505 1.00 0.22 C
|
|
|
510
|
+ATOM 731 O GLU A 46 -10.440 3.435 5.880 1.00 0.22 O
|
|
|
511
|
+ATOM 732 CB GLU A 46 -12.600 1.688 7.231 1.00 0.30 C
|
|
|
512
|
+ATOM 733 CG GLU A 46 -11.576 0.848 7.993 1.00 1.31 C
|
|
|
513
|
+ATOM 734 CD GLU A 46 -12.107 0.545 9.395 1.00 1.80 C
|
|
|
514
|
+ATOM 735 OE1 GLU A 46 -13.089 -0.173 9.493 1.00 2.43 O
|
|
|
515
|
+ATOM 736 OE2 GLU A 46 -11.524 1.036 10.347 1.00 2.28 O
|
|
|
516
|
+ATOM 743 N TYR A 47 -12.285 4.047 4.861 1.00 0.22 N
|
|
|
517
|
+ATOM 744 CA TYR A 47 -11.744 5.402 4.559 1.00 0.22 C
|
|
|
518
|
+ATOM 745 C TYR A 47 -12.564 6.446 5.329 1.00 0.26 C
|
|
|
519
|
+ATOM 746 O TYR A 47 -13.586 6.110 5.892 1.00 0.29 O
|
|
|
520
|
+ATOM 747 CB TYR A 47 -11.851 5.623 3.045 1.00 0.24 C
|
|
|
521
|
+ATOM 748 CG TYR A 47 -10.868 4.720 2.323 1.00 0.24 C
|
|
|
522
|
+ATOM 749 CD1 TYR A 47 -9.830 4.081 3.021 1.00 1.25 C
|
|
|
523
|
+ATOM 750 CD2 TYR A 47 -10.994 4.520 0.945 1.00 1.21 C
|
|
|
524
|
+ATOM 751 CE1 TYR A 47 -8.935 3.251 2.342 1.00 1.27 C
|
|
|
525
|
+ATOM 752 CE2 TYR A 47 -10.094 3.692 0.272 1.00 1.20 C
|
|
|
526
|
+ATOM 753 CZ TYR A 47 -9.067 3.058 0.970 1.00 0.29 C
|
|
|
527
|
+ATOM 754 OH TYR A 47 -8.181 2.239 0.301 1.00 0.34 O
|
|
|
528
|
+ATOM 764 N PRO A 48 -12.102 7.682 5.359 1.00 0.27 N
|
|
|
529
|
+ATOM 765 CA PRO A 48 -10.858 8.134 4.685 1.00 0.25 C
|
|
|
530
|
+ATOM 766 C PRO A 48 -9.620 7.409 5.219 1.00 0.22 C
|
|
|
531
|
+ATOM 767 O PRO A 48 -9.455 7.234 6.406 1.00 0.30 O
|
|
|
532
|
+ATOM 768 CB PRO A 48 -10.761 9.631 5.010 1.00 0.28 C
|
|
|
533
|
+ATOM 769 CG PRO A 48 -11.970 10.004 5.902 1.00 0.33 C
|
|
|
534
|
+ATOM 770 CD PRO A 48 -12.815 8.738 6.097 1.00 0.32 C
|
|
|
535
|
+ATOM 778 N LEU A 49 -8.744 7.000 4.338 1.00 0.20 N
|
|
|
536
|
+ATOM 779 CA LEU A 49 -7.502 6.298 4.775 1.00 0.19 C
|
|
|
537
|
+ATOM 780 C LEU A 49 -6.301 7.182 4.462 1.00 0.19 C
|
|
|
538
|
+ATOM 781 O LEU A 49 -6.335 7.998 3.567 1.00 0.20 O
|
|
|
539
|
+ATOM 782 CB LEU A 49 -7.362 4.977 3.994 1.00 0.18 C
|
|
|
540
|
+ATOM 783 CG LEU A 49 -5.885 4.560 3.861 1.00 0.17 C
|
|
|
541
|
+ATOM 784 CD1 LEU A 49 -5.350 4.066 5.209 1.00 0.20 C
|
|
|
542
|
+ATOM 785 CD2 LEU A 49 -5.759 3.447 2.816 1.00 0.16 C
|
|
|
543
|
+ATOM 797 N VAL A 50 -5.222 6.985 5.157 1.00 0.21 N
|
|
|
544
|
+ATOM 798 CA VAL A 50 -4.003 7.770 4.857 1.00 0.22 C
|
|
|
545
|
+ATOM 799 C VAL A 50 -2.919 6.786 4.408 1.00 0.20 C
|
|
|
546
|
+ATOM 800 O VAL A 50 -2.748 5.736 4.987 1.00 0.21 O
|
|
|
547
|
+ATOM 801 CB VAL A 50 -3.555 8.555 6.114 1.00 0.26 C
|
|
|
548
|
+ATOM 802 CG1 VAL A 50 -2.135 8.158 6.542 1.00 0.26 C
|
|
|
549
|
+ATOM 803 CG2 VAL A 50 -3.567 10.051 5.802 1.00 0.29 C
|
|
|
550
|
+ATOM 813 N LEU A 51 -2.167 7.122 3.409 1.00 0.19 N
|
|
|
551
|
+ATOM 814 CA LEU A 51 -1.081 6.210 2.976 1.00 0.18 C
|
|
|
552
|
+ATOM 815 C LEU A 51 0.228 6.969 3.109 1.00 0.18 C
|
|
|
553
|
+ATOM 816 O LEU A 51 0.745 7.517 2.155 1.00 0.20 O
|
|
|
554
|
+ATOM 817 CB LEU A 51 -1.267 5.748 1.523 1.00 0.17 C
|
|
|
555
|
+ATOM 818 CG LEU A 51 -0.106 4.823 1.149 1.00 0.19 C
|
|
|
556
|
+ATOM 819 CD1 LEU A 51 -0.195 3.543 1.973 1.00 0.21 C
|
|
|
557
|
+ATOM 820 CD2 LEU A 51 -0.185 4.451 -0.328 1.00 0.18 C
|
|
|
558
|
+ATOM 832 N GLU A 52 0.760 7.014 4.296 1.00 0.19 N
|
|
|
559
|
+ATOM 833 CA GLU A 52 2.031 7.743 4.505 1.00 0.21 C
|
|
|
560
|
+ATOM 834 C GLU A 52 3.158 6.861 3.988 1.00 0.19 C
|
|
|
561
|
+ATOM 835 O GLU A 52 3.789 6.122 4.721 1.00 0.19 O
|
|
|
562
|
+ATOM 836 CB GLU A 52 2.213 8.030 5.996 1.00 0.24 C
|
|
|
563
|
+ATOM 837 CG GLU A 52 3.642 8.508 6.256 1.00 0.30 C
|
|
|
564
|
+ATOM 838 CD GLU A 52 3.650 9.471 7.444 1.00 0.64 C
|
|
|
565
|
+ATOM 839 OE1 GLU A 52 2.717 9.420 8.229 1.00 1.28 O
|
|
|
566
|
+ATOM 840 OE2 GLU A 52 4.588 10.244 7.550 1.00 1.44 O
|
|
|
567
|
+ATOM 847 N TRP A 53 3.385 6.915 2.708 1.00 0.20 N
|
|
|
568
|
+ATOM 848 CA TRP A 53 4.436 6.072 2.099 1.00 0.20 C
|
|
|
569
|
+ATOM 849 C TRP A 53 5.813 6.694 2.321 1.00 0.24 C
|
|
|
570
|
+ATOM 850 O TRP A 53 6.142 7.720 1.760 1.00 0.38 O
|
|
|
571
|
+ATOM 851 CB TRP A 53 4.175 5.945 0.603 1.00 0.24 C
|
|
|
572
|
+ATOM 852 CG TRP A 53 4.807 4.689 0.123 1.00 0.23 C
|
|
|
573
|
+ATOM 853 CD1 TRP A 53 6.084 4.326 0.376 1.00 0.25 C
|
|
|
574
|
+ATOM 854 CD2 TRP A 53 4.223 3.620 -0.671 1.00 0.21 C
|
|
|
575
|
+ATOM 855 NE1 TRP A 53 6.325 3.103 -0.214 1.00 0.26 N
|
|
|
576
|
+ATOM 856 CE2 TRP A 53 5.210 2.627 -0.872 1.00 0.24 C
|
|
|
577
|
+ATOM 857 CE3 TRP A 53 2.948 3.416 -1.234 1.00 0.21 C
|
|
|
578
|
+ATOM 858 CZ2 TRP A 53 4.946 1.474 -1.601 1.00 0.25 C
|
|
|
579
|
+ATOM 859 CZ3 TRP A 53 2.684 2.251 -1.974 1.00 0.23 C
|
|
|
580
|
+ATOM 860 CH2 TRP A 53 3.682 1.284 -2.156 1.00 0.25 C
|
|
|
581
|
+ATOM 871 N ARG A 54 6.627 6.069 3.124 1.00 0.26 N
|
|
|
582
|
+ATOM 872 CA ARG A 54 7.992 6.607 3.371 1.00 0.35 C
|
|
|
583
|
+ATOM 873 C ARG A 54 8.988 5.823 2.515 1.00 0.49 C
|
|
|
584
|
+ATOM 874 O ARG A 54 8.781 4.663 2.219 1.00 1.33 O
|
|
|
585
|
+ATOM 875 CB ARG A 54 8.346 6.446 4.849 1.00 0.44 C
|
|
|
586
|
+ATOM 876 CG ARG A 54 8.545 7.825 5.481 1.00 0.88 C
|
|
|
587
|
+ATOM 877 CD ARG A 54 8.772 7.667 6.985 1.00 1.09 C
|
|
|
588
|
+ATOM 878 NE ARG A 54 10.009 8.396 7.382 1.00 1.40 N
|
|
|
589
|
+ATOM 879 CZ ARG A 54 10.254 8.632 8.637 1.00 1.87 C
|
|
|
590
|
+ATOM 880 NH1 ARG A 54 10.719 7.683 9.399 1.00 2.47 N
|
|
|
591
|
+ATOM 881 NH2 ARG A 54 10.035 9.816 9.133 1.00 2.46 N
|
|
|
592
|
+ATOM 895 N GLN A 55 10.062 6.439 2.107 1.00 0.53 N
|
|
|
593
|
+ATOM 896 CA GLN A 55 11.050 5.709 1.264 1.00 0.46 C
|
|
|
594
|
+ATOM 897 C GLN A 55 10.308 5.032 0.111 1.00 0.53 C
|
|
|
595
|
+ATOM 898 O GLN A 55 10.193 3.826 0.056 1.00 1.30 O
|
|
|
596
|
+ATOM 899 CB GLN A 55 11.759 4.650 2.111 1.00 0.55 C
|
|
|
597
|
+ATOM 900 CG GLN A 55 13.251 4.974 2.186 1.00 1.05 C
|
|
|
598
|
+ATOM 901 CD GLN A 55 13.542 5.750 3.472 1.00 1.22 C
|
|
|
599
|
+ATOM 902 OE1 GLN A 55 12.710 5.822 4.354 1.00 1.82 O
|
|
|
600
|
+ATOM 903 NE2 GLN A 55 14.698 6.338 3.616 1.00 1.89 N
|
|
|
601
|
+ATOM 912 N PHE A 56 9.791 5.807 -0.801 1.00 0.64 N
|
|
|
602
|
+ATOM 913 CA PHE A 56 9.035 5.228 -1.949 1.00 0.57 C
|
|
|
603
|
+ATOM 914 C PHE A 56 10.002 4.576 -2.944 1.00 0.71 C
|
|
|
604
|
+ATOM 915 O PHE A 56 10.000 3.374 -3.124 1.00 1.62 O
|
|
|
605
|
+ATOM 916 CB PHE A 56 8.267 6.356 -2.637 1.00 0.62 C
|
|
|
606
|
+ATOM 917 CG PHE A 56 7.213 5.805 -3.572 1.00 0.57 C
|
|
|
607
|
+ATOM 918 CD1 PHE A 56 6.938 4.430 -3.629 1.00 1.37 C
|
|
|
608
|
+ATOM 919 CD2 PHE A 56 6.504 6.690 -4.386 1.00 1.31 C
|
|
|
609
|
+ATOM 920 CE1 PHE A 56 5.953 3.951 -4.507 1.00 1.40 C
|
|
|
610
|
+ATOM 921 CE2 PHE A 56 5.522 6.212 -5.260 1.00 1.40 C
|
|
|
611
|
+ATOM 922 CZ PHE A 56 5.249 4.842 -5.323 1.00 0.79 C
|
|
|
612
|
+ATOM 932 N GLU A 57 10.824 5.355 -3.595 1.00 0.67 N
|
|
|
613
|
+ATOM 933 CA GLU A 57 11.784 4.768 -4.576 1.00 0.65 C
|
|
|
614
|
+ATOM 934 C GLU A 57 12.637 3.708 -3.882 1.00 0.58 C
|
|
|
615
|
+ATOM 935 O GLU A 57 13.002 2.709 -4.467 1.00 0.58 O
|
|
|
616
|
+ATOM 936 CB GLU A 57 12.703 5.861 -5.118 1.00 0.80 C
|
|
|
617
|
+ATOM 937 CG GLU A 57 11.991 6.634 -6.229 1.00 1.16 C
|
|
|
618
|
+ATOM 938 CD GLU A 57 12.794 7.891 -6.571 1.00 1.75 C
|
|
|
619
|
+ATOM 939 OE1 GLU A 57 13.812 8.110 -5.935 1.00 2.34 O
|
|
|
620
|
+ATOM 940 OE2 GLU A 57 12.378 8.612 -7.462 1.00 2.41 O
|
|
|
621
|
+ATOM 947 N GLN A 58 12.961 3.924 -2.638 1.00 0.58 N
|
|
|
622
|
+ATOM 948 CA GLN A 58 13.786 2.942 -1.899 1.00 0.60 C
|
|
|
623
|
+ATOM 949 C GLN A 58 12.982 1.655 -1.731 1.00 0.53 C
|
|
|
624
|
+ATOM 950 O GLN A 58 13.524 0.569 -1.730 1.00 0.56 O
|
|
|
625
|
+ATOM 951 CB GLN A 58 14.158 3.516 -0.530 1.00 0.69 C
|
|
|
626
|
+ATOM 952 CG GLN A 58 15.064 4.735 -0.723 1.00 0.94 C
|
|
|
627
|
+ATOM 953 CD GLN A 58 16.526 4.322 -0.542 1.00 1.56 C
|
|
|
628
|
+ATOM 954 OE1 GLN A 58 16.810 3.268 -0.008 1.00 2.34 O
|
|
|
629
|
+ATOM 955 NE2 GLN A 58 17.472 5.114 -0.966 1.00 1.94 N
|
|
|
630
|
+ATOM 964 N SER A 59 11.685 1.773 -1.611 1.00 0.52 N
|
|
|
631
|
+ATOM 965 CA SER A 59 10.829 0.560 -1.473 1.00 0.52 C
|
|
|
632
|
+ATOM 966 C SER A 59 10.318 0.172 -2.859 1.00 0.44 C
|
|
|
633
|
+ATOM 967 O SER A 59 9.371 -0.576 -3.002 1.00 0.48 O
|
|
|
634
|
+ATOM 968 CB SER A 59 9.639 0.859 -0.562 1.00 0.65 C
|
|
|
635
|
+ATOM 969 OG SER A 59 9.861 0.266 0.709 1.00 1.39 O
|
|
|
636
|
+ATOM 975 N LYS A 60 10.954 0.675 -3.881 1.00 0.41 N
|
|
|
637
|
+ATOM 976 CA LYS A 60 10.532 0.342 -5.266 1.00 0.42 C
|
|
|
638
|
+ATOM 977 C LYS A 60 11.614 -0.520 -5.922 1.00 0.44 C
|
|
|
639
|
+ATOM 978 O LYS A 60 11.326 -1.436 -6.666 1.00 0.55 O
|
|
|
640
|
+ATOM 979 CB LYS A 60 10.356 1.636 -6.062 1.00 0.51 C
|
|
|
641
|
+ATOM 980 CG LYS A 60 9.518 1.361 -7.311 1.00 1.03 C
|
|
|
642
|
+ATOM 981 CD LYS A 60 9.317 2.665 -8.084 1.00 1.61 C
|
|
|
643
|
+ATOM 982 CE LYS A 60 9.529 2.412 -9.575 1.00 2.36 C
|
|
|
644
|
+ATOM 983 NZ LYS A 60 10.507 3.397 -10.112 1.00 3.11 N
|
|
|
645
|
+ATOM 997 N GLN A 61 12.860 -0.228 -5.655 1.00 0.51 N
|
|
|
646
|
+ATOM 998 CA GLN A 61 13.963 -1.020 -6.264 1.00 0.62 C
|
|
|
647
|
+ATOM 999 C GLN A 61 14.010 -2.425 -5.651 1.00 0.60 C
|
|
|
648
|
+ATOM 1000 O GLN A 61 13.841 -3.416 -6.332 1.00 0.66 O
|
|
|
649
|
+ATOM 1001 CB GLN A 61 15.297 -0.315 -6.006 1.00 0.73 C
|
|
|
650
|
+ATOM 1002 CG GLN A 61 15.326 1.021 -6.751 1.00 1.14 C
|
|
|
651
|
+ATOM 1003 CD GLN A 61 16.704 1.221 -7.385 1.00 1.66 C
|
|
|
652
|
+ATOM 1004 OE1 GLN A 61 17.499 0.303 -7.440 1.00 2.16 O
|
|
|
653
|
+ATOM 1005 NE2 GLN A 61 17.024 2.390 -7.868 1.00 2.39 N
|
|
|
654
|
+ATOM 1014 N LEU A 62 14.264 -2.497 -4.372 1.00 0.64 N
|
|
|
655
|
+ATOM 1015 CA LEU A 62 14.358 -3.820 -3.661 1.00 0.71 C
|
|
|
656
|
+ATOM 1016 C LEU A 62 13.391 -4.833 -4.276 1.00 0.67 C
|
|
|
657
|
+ATOM 1017 O LEU A 62 13.653 -6.019 -4.302 1.00 0.94 O
|
|
|
658
|
+ATOM 1018 CB LEU A 62 13.995 -3.678 -2.170 1.00 0.78 C
|
|
|
659
|
+ATOM 1019 CG LEU A 62 13.609 -2.241 -1.817 1.00 0.78 C
|
|
|
660
|
+ATOM 1020 CD1 LEU A 62 12.330 -1.844 -2.561 1.00 0.66 C
|
|
|
661
|
+ATOM 1021 CD2 LEU A 62 13.367 -2.146 -0.310 1.00 0.94 C
|
|
|
662
|
+ATOM 1033 N THR A 63 12.276 -4.379 -4.770 1.00 0.58 N
|
|
|
663
|
+ATOM 1034 CA THR A 63 11.298 -5.309 -5.376 1.00 0.70 C
|
|
|
664
|
+ATOM 1035 C THR A 63 10.933 -4.785 -6.761 1.00 0.81 C
|
|
|
665
|
+ATOM 1036 O THR A 63 9.802 -4.445 -7.030 1.00 0.89 O
|
|
|
666
|
+ATOM 1037 CB THR A 63 10.042 -5.450 -4.482 1.00 0.65 C
|
|
|
667
|
+ATOM 1038 OG1 THR A 63 8.893 -5.599 -5.300 1.00 0.72 O
|
|
|
668
|
+ATOM 1039 CG2 THR A 63 9.848 -4.231 -3.559 1.00 0.52 C
|
|
|
669
|
+ATOM 1047 N GLU A 64 11.921 -4.721 -7.629 1.00 0.95 N
|
|
|
670
|
+ATOM 1048 CA GLU A 64 11.731 -4.227 -9.035 1.00 1.21 C
|
|
|
671
|
+ATOM 1049 C GLU A 64 10.247 -4.117 -9.389 1.00 1.18 C
|
|
|
672
|
+ATOM 1050 O GLU A 64 9.570 -5.108 -9.578 1.00 1.53 O
|
|
|
673
|
+ATOM 1051 CB GLU A 64 12.403 -5.214 -9.993 1.00 1.55 C
|
|
|
674
|
+ATOM 1052 CG GLU A 64 12.903 -4.472 -11.231 1.00 1.91 C
|
|
|
675
|
+ATOM 1053 CD GLU A 64 14.052 -5.257 -11.865 1.00 2.44 C
|
|
|
676
|
+ATOM 1054 OE1 GLU A 64 14.291 -6.373 -11.432 1.00 3.09 O
|
|
|
677
|
+ATOM 1055 OE2 GLU A 64 14.675 -4.730 -12.771 1.00 2.79 O
|
|
|
678
|
+ATOM 1062 N ASN A 65 9.732 -2.920 -9.470 1.00 1.70 N
|
|
|
679
|
+ATOM 1063 CA ASN A 65 8.289 -2.761 -9.802 1.00 1.68 C
|
|
|
680
|
+ATOM 1064 C ASN A 65 7.456 -3.157 -8.582 1.00 0.85 C
|
|
|
681
|
+ATOM 1065 O ASN A 65 6.375 -3.697 -8.706 1.00 1.09 O
|
|
|
682
|
+ATOM 1066 CB ASN A 65 7.944 -3.685 -10.974 1.00 2.27 C
|
|
|
683
|
+ATOM 1067 CG ASN A 65 6.828 -3.063 -11.814 1.00 2.89 C
|
|
|
684
|
+ATOM 1068 OD1 ASN A 65 6.854 -1.884 -12.103 1.00 3.24 O
|
|
|
685
|
+ATOM 1069 ND2 ASN A 65 5.844 -3.815 -12.224 1.00 3.66 N
|
|
|
686
|
+ATOM 1076 N GLY A 66 7.968 -2.928 -7.401 1.00 0.56 N
|
|
|
687
|
+ATOM 1077 CA GLY A 66 7.225 -3.330 -6.177 1.00 1.20 C
|
|
|
688
|
+ATOM 1078 C GLY A 66 6.279 -2.227 -5.680 1.00 0.91 C
|
|
|
689
|
+ATOM 1079 O GLY A 66 5.073 -2.381 -5.677 1.00 1.26 O
|
|
|
690
|
+ATOM 1083 N ALA A 67 6.826 -1.155 -5.185 1.00 0.39 N
|
|
|
691
|
+ATOM 1084 CA ALA A 67 5.996 -0.071 -4.590 1.00 0.46 C
|
|
|
692
|
+ATOM 1085 C ALA A 67 5.313 0.846 -5.615 1.00 0.34 C
|
|
|
693
|
+ATOM 1086 O ALA A 67 4.352 1.513 -5.286 1.00 0.53 O
|
|
|
694
|
+ATOM 1087 CB ALA A 67 6.909 0.777 -3.713 1.00 0.64 C
|
|
|
695
|
+ATOM 1093 N GLU A 68 5.778 0.935 -6.823 1.00 0.27 N
|
|
|
696
|
+ATOM 1094 CA GLU A 68 5.129 1.851 -7.769 1.00 0.38 C
|
|
|
697
|
+ATOM 1095 C GLU A 68 3.751 1.292 -8.176 1.00 0.39 C
|
|
|
698
|
+ATOM 1096 O GLU A 68 2.884 2.021 -8.617 1.00 0.49 O
|
|
|
699
|
+ATOM 1097 CB GLU A 68 6.069 2.020 -8.971 1.00 0.51 C
|
|
|
700
|
+ATOM 1098 CG GLU A 68 5.274 2.020 -10.258 1.00 1.38 C
|
|
|
701
|
+ATOM 1099 CD GLU A 68 6.148 2.521 -11.410 1.00 1.57 C
|
|
|
702
|
+ATOM 1100 OE1 GLU A 68 6.989 3.370 -11.165 1.00 1.83 O
|
|
|
703
|
+ATOM 1101 OE2 GLU A 68 5.961 2.047 -12.518 1.00 2.27 O
|
|
|
704
|
+ATOM 1108 N SER A 69 3.544 0.011 -8.034 1.00 0.39 N
|
|
|
705
|
+ATOM 1109 CA SER A 69 2.227 -0.585 -8.417 1.00 0.47 C
|
|
|
706
|
+ATOM 1110 C SER A 69 1.196 -0.382 -7.297 1.00 0.37 C
|
|
|
707
|
+ATOM 1111 O SER A 69 0.120 0.157 -7.510 1.00 0.35 O
|
|
|
708
|
+ATOM 1112 CB SER A 69 2.405 -2.082 -8.669 1.00 0.58 C
|
|
|
709
|
+ATOM 1113 OG SER A 69 2.127 -2.366 -10.033 1.00 0.90 O
|
|
|
710
|
+ATOM 1119 N VAL A 70 1.509 -0.818 -6.106 1.00 0.34 N
|
|
|
711
|
+ATOM 1120 CA VAL A 70 0.544 -0.662 -4.984 1.00 0.27 C
|
|
|
712
|
+ATOM 1121 C VAL A 70 0.107 0.793 -4.912 1.00 0.20 C
|
|
|
713
|
+ATOM 1122 O VAL A 70 -1.057 1.098 -4.748 1.00 0.20 O
|
|
|
714
|
+ATOM 1123 CB VAL A 70 1.215 -1.063 -3.671 1.00 0.31 C
|
|
|
715
|
+ATOM 1124 CG1 VAL A 70 0.288 -0.737 -2.499 1.00 0.29 C
|
|
|
716
|
+ATOM 1125 CG2 VAL A 70 1.504 -2.565 -3.687 1.00 0.41 C
|
|
|
717
|
+ATOM 1135 N LEU A 71 1.033 1.696 -5.048 1.00 0.24 N
|
|
|
718
|
+ATOM 1136 CA LEU A 71 0.663 3.134 -5.002 1.00 0.23 C
|
|
|
719
|
+ATOM 1137 C LEU A 71 -0.340 3.411 -6.113 1.00 0.23 C
|
|
|
720
|
+ATOM 1138 O LEU A 71 -1.335 4.061 -5.909 1.00 0.23 O
|
|
|
721
|
+ATOM 1139 CB LEU A 71 1.897 3.996 -5.229 1.00 0.30 C
|
|
|
722
|
+ATOM 1140 CG LEU A 71 1.476 5.464 -5.305 1.00 0.35 C
|
|
|
723
|
+ATOM 1141 CD1 LEU A 71 1.177 5.986 -3.899 1.00 0.36 C
|
|
|
724
|
+ATOM 1142 CD2 LEU A 71 2.605 6.290 -5.924 1.00 0.43 C
|
|
|
725
|
+ATOM 1154 N GLN A 72 -0.083 2.914 -7.289 1.00 0.28 N
|
|
|
726
|
+ATOM 1155 CA GLN A 72 -1.027 3.138 -8.419 1.00 0.30 C
|
|
|
727
|
+ATOM 1156 C GLN A 72 -2.417 2.716 -7.977 1.00 0.25 C
|
|
|
728
|
+ATOM 1157 O GLN A 72 -3.408 3.314 -8.334 1.00 0.25 O
|
|
|
729
|
+ATOM 1158 CB GLN A 72 -0.583 2.279 -9.617 1.00 0.35 C
|
|
|
730
|
+ATOM 1159 CG GLN A 72 -1.789 1.868 -10.473 1.00 1.18 C
|
|
|
731
|
+ATOM 1160 CD GLN A 72 -1.304 1.317 -11.813 1.00 1.42 C
|
|
|
732
|
+ATOM 1161 OE1 GLN A 72 -1.069 2.064 -12.742 1.00 1.78 O
|
|
|
733
|
+ATOM 1162 NE2 GLN A 72 -1.144 0.029 -11.955 1.00 1.97 N
|
|
|
734
|
+ATOM 1171 N VAL A 73 -2.487 1.666 -7.230 1.00 0.23 N
|
|
|
735
|
+ATOM 1172 CA VAL A 73 -3.797 1.162 -6.774 1.00 0.20 C
|
|
|
736
|
+ATOM 1173 C VAL A 73 -4.352 2.055 -5.661 1.00 0.16 C
|
|
|
737
|
+ATOM 1174 O VAL A 73 -5.547 2.201 -5.514 1.00 0.16 O
|
|
|
738
|
+ATOM 1175 CB VAL A 73 -3.590 -0.254 -6.268 1.00 0.21 C
|
|
|
739
|
+ATOM 1176 CG1 VAL A 73 -4.840 -0.752 -5.547 1.00 0.20 C
|
|
|
740
|
+ATOM 1177 CG2 VAL A 73 -3.258 -1.151 -7.468 1.00 0.26 C
|
|
|
741
|
+ATOM 1187 N PHE A 74 -3.501 2.649 -4.873 1.00 0.15 N
|
|
|
742
|
+ATOM 1188 CA PHE A 74 -4.001 3.529 -3.773 1.00 0.14 C
|
|
|
743
|
+ATOM 1189 C PHE A 74 -4.501 4.858 -4.358 1.00 0.16 C
|
|
|
744
|
+ATOM 1190 O PHE A 74 -5.460 5.440 -3.887 1.00 0.18 O
|
|
|
745
|
+ATOM 1191 CB PHE A 74 -2.868 3.807 -2.778 1.00 0.14 C
|
|
|
746
|
+ATOM 1192 CG PHE A 74 -2.926 2.806 -1.651 1.00 0.12 C
|
|
|
747
|
+ATOM 1193 CD1 PHE A 74 -3.895 2.932 -0.650 1.00 0.16 C
|
|
|
748
|
+ATOM 1194 CD2 PHE A 74 -2.007 1.751 -1.608 1.00 0.16 C
|
|
|
749
|
+ATOM 1195 CE1 PHE A 74 -3.946 2.003 0.395 1.00 0.18 C
|
|
|
750
|
+ATOM 1196 CE2 PHE A 74 -2.058 0.822 -0.563 1.00 0.19 C
|
|
|
751
|
+ATOM 1197 CZ PHE A 74 -3.027 0.949 0.439 1.00 0.19 C
|
|
|
752
|
+ATOM 1207 N ARG A 75 -3.859 5.334 -5.388 1.00 0.19 N
|
|
|
753
|
+ATOM 1208 CA ARG A 75 -4.271 6.610 -6.018 1.00 0.23 C
|
|
|
754
|
+ATOM 1209 C ARG A 75 -5.453 6.341 -6.929 1.00 0.24 C
|
|
|
755
|
+ATOM 1210 O ARG A 75 -6.368 7.124 -7.030 1.00 0.33 O
|
|
|
756
|
+ATOM 1211 CB ARG A 75 -3.119 7.150 -6.851 1.00 0.26 C
|
|
|
757
|
+ATOM 1212 CG ARG A 75 -1.995 7.625 -5.930 1.00 0.54 C
|
|
|
758
|
+ATOM 1213 CD ARG A 75 -1.790 9.130 -6.107 1.00 1.28 C
|
|
|
759
|
+ATOM 1214 NE ARG A 75 -1.186 9.394 -7.445 1.00 1.38 N
|
|
|
760
|
+ATOM 1215 CZ ARG A 75 -1.177 10.604 -7.930 1.00 1.76 C
|
|
|
761
|
+ATOM 1216 NH1 ARG A 75 -1.310 11.627 -7.134 1.00 2.43 N
|
|
|
762
|
+ATOM 1217 NH2 ARG A 75 -1.032 10.790 -9.212 1.00 2.43 N
|
|
|
763
|
+ATOM 1231 N GLU A 76 -5.429 5.219 -7.581 1.00 0.22 N
|
|
|
764
|
+ATOM 1232 CA GLU A 76 -6.544 4.838 -8.482 1.00 0.23 C
|
|
|
765
|
+ATOM 1233 C GLU A 76 -7.787 4.692 -7.616 1.00 0.21 C
|
|
|
766
|
+ATOM 1234 O GLU A 76 -8.839 5.219 -7.917 1.00 0.23 O
|
|
|
767
|
+ATOM 1235 CB GLU A 76 -6.206 3.501 -9.129 1.00 0.24 C
|
|
|
768
|
+ATOM 1236 CG GLU A 76 -5.555 3.723 -10.494 1.00 0.30 C
|
|
|
769
|
+ATOM 1237 CD GLU A 76 -6.631 4.058 -11.527 1.00 0.89 C
|
|
|
770
|
+ATOM 1238 OE1 GLU A 76 -7.781 3.734 -11.282 1.00 1.65 O
|
|
|
771
|
+ATOM 1239 OE2 GLU A 76 -6.286 4.632 -12.547 1.00 1.48 O
|
|
|
772
|
+ATOM 1246 N ALA A 77 -7.653 4.005 -6.512 1.00 0.18 N
|
|
|
773
|
+ATOM 1247 CA ALA A 77 -8.796 3.857 -5.591 1.00 0.17 C
|
|
|
774
|
+ATOM 1248 C ALA A 77 -9.143 5.259 -5.113 1.00 0.19 C
|
|
|
775
|
+ATOM 1249 O ALA A 77 -10.294 5.632 -5.003 1.00 0.20 O
|
|
|
776
|
+ATOM 1250 CB ALA A 77 -8.403 2.975 -4.403 1.00 0.17 C
|
|
|
777
|
+ATOM 1256 N LYS A 78 -8.133 6.059 -4.876 1.00 0.21 N
|
|
|
778
|
+ATOM 1257 CA LYS A 78 -8.377 7.464 -4.462 1.00 0.24 C
|
|
|
779
|
+ATOM 1258 C LYS A 78 -9.200 8.121 -5.560 1.00 0.28 C
|
|
|
780
|
+ATOM 1259 O LYS A 78 -9.990 9.016 -5.336 1.00 0.32 O
|
|
|
781
|
+ATOM 1260 CB LYS A 78 -7.038 8.187 -4.372 1.00 0.26 C
|
|
|
782
|
+ATOM 1261 CG LYS A 78 -7.077 9.218 -3.247 1.00 0.32 C
|
|
|
783
|
+ATOM 1262 CD LYS A 78 -7.173 10.619 -3.855 1.00 0.70 C
|
|
|
784
|
+ATOM 1263 CE LYS A 78 -7.216 11.663 -2.738 1.00 0.99 C
|
|
|
785
|
+ATOM 1264 NZ LYS A 78 -6.353 12.821 -3.109 1.00 1.50 N
|
|
|
786
|
+ATOM 1278 N ALA A 79 -8.984 7.664 -6.756 1.00 0.28 N
|
|
|
787
|
+ATOM 1279 CA ALA A 79 -9.690 8.204 -7.933 1.00 0.33 C
|
|
|
788
|
+ATOM 1280 C ALA A 79 -11.110 7.645 -7.972 1.00 0.32 C
|
|
|
789
|
+ATOM 1281 O ALA A 79 -12.027 8.262 -8.477 1.00 0.38 O
|
|
|
790
|
+ATOM 1282 CB ALA A 79 -8.920 7.757 -9.173 1.00 0.35 C
|
|
|
791
|
+ATOM 1288 N GLU A 80 -11.285 6.472 -7.440 1.00 0.28 N
|
|
|
792
|
+ATOM 1289 CA GLU A 80 -12.620 5.829 -7.425 1.00 0.29 C
|
|
|
793
|
+ATOM 1290 C GLU A 80 -13.585 6.626 -6.544 1.00 0.37 C
|
|
|
794
|
+ATOM 1291 O GLU A 80 -14.762 6.332 -6.476 1.00 0.68 O
|
|
|
795
|
+ATOM 1292 CB GLU A 80 -12.466 4.417 -6.865 1.00 0.32 C
|
|
|
796
|
+ATOM 1293 CG GLU A 80 -12.076 3.469 -7.995 1.00 0.45 C
|
|
|
797
|
+ATOM 1294 CD GLU A 80 -13.336 2.876 -8.627 1.00 0.67 C
|
|
|
798
|
+ATOM 1295 OE1 GLU A 80 -13.927 3.543 -9.460 1.00 1.40 O
|
|
|
799
|
+ATOM 1296 OE2 GLU A 80 -13.688 1.764 -8.269 1.00 1.30 O
|
|
|
800
|
+ATOM 1303 N GLY A 81 -13.098 7.621 -5.858 1.00 0.39 N
|
|
|
801
|
+ATOM 1304 CA GLY A 81 -13.987 8.421 -4.973 1.00 0.45 C
|
|
|
802
|
+ATOM 1305 C GLY A 81 -13.572 8.186 -3.522 1.00 0.39 C
|
|
|
803
|
+ATOM 1306 O GLY A 81 -13.963 8.908 -2.626 1.00 0.45 O
|
|
|
804
|
+ATOM 1310 N CYS A 82 -12.776 7.179 -3.288 1.00 0.41 N
|
|
|
805
|
+ATOM 1311 CA CYS A 82 -12.322 6.888 -1.905 1.00 0.38 C
|
|
|
806
|
+ATOM 1312 C CYS A 82 -11.476 8.057 -1.395 1.00 0.38 C
|
|
|
807
|
+ATOM 1313 O CYS A 82 -10.977 8.854 -2.164 1.00 0.49 O
|
|
|
808
|
+ATOM 1314 CB CYS A 82 -11.480 5.614 -1.920 1.00 0.39 C
|
|
|
809
|
+ATOM 1315 SG CYS A 82 -12.566 4.168 -1.820 1.00 0.63 S
|
|
|
810
|
+ATOM 1321 N ASP A 83 -11.316 8.173 -0.105 1.00 0.32 N
|
|
|
811
|
+ATOM 1322 CA ASP A 83 -10.510 9.298 0.444 1.00 0.37 C
|
|
|
812
|
+ATOM 1323 C ASP A 83 -9.188 8.769 1.009 1.00 0.36 C
|
|
|
813
|
+ATOM 1324 O ASP A 83 -8.935 8.844 2.195 1.00 0.57 O
|
|
|
814
|
+ATOM 1325 CB ASP A 83 -11.305 9.984 1.553 1.00 0.42 C
|
|
|
815
|
+ATOM 1326 CG ASP A 83 -10.709 11.364 1.834 1.00 0.53 C
|
|
|
816
|
+ATOM 1327 OD1 ASP A 83 -9.782 11.437 2.624 1.00 1.11 O
|
|
|
817
|
+ATOM 1328 OD2 ASP A 83 -11.191 12.324 1.255 1.00 1.30 O
|
|
|
818
|
+ATOM 1333 N ILE A 84 -8.339 8.244 0.168 1.00 0.33 N
|
|
|
819
|
+ATOM 1334 CA ILE A 84 -7.028 7.720 0.652 1.00 0.31 C
|
|
|
820
|
+ATOM 1335 C ILE A 84 -5.965 8.818 0.503 1.00 0.34 C
|
|
|
821
|
+ATOM 1336 O ILE A 84 -5.289 8.905 -0.503 1.00 0.67 O
|
|
|
822
|
+ATOM 1337 CB ILE A 84 -6.622 6.513 -0.191 1.00 0.30 C
|
|
|
823
|
+ATOM 1338 CG1 ILE A 84 -7.546 5.345 0.117 1.00 0.50 C
|
|
|
824
|
+ATOM 1339 CG2 ILE A 84 -5.182 6.114 0.131 1.00 0.28 C
|
|
|
825
|
+ATOM 1340 CD1 ILE A 84 -8.049 4.762 -1.198 1.00 0.34 C
|
|
|
826
|
+ATOM 1352 N THR A 85 -5.813 9.657 1.490 1.00 0.49 N
|
|
|
827
|
+ATOM 1353 CA THR A 85 -4.796 10.748 1.400 1.00 0.50 C
|
|
|
828
|
+ATOM 1354 C THR A 85 -3.430 10.156 1.047 1.00 0.47 C
|
|
|
829
|
+ATOM 1355 O THR A 85 -2.721 9.661 1.897 1.00 0.60 O
|
|
|
830
|
+ATOM 1356 CB THR A 85 -4.702 11.468 2.749 1.00 0.61 C
|
|
|
831
|
+ATOM 1357 OG1 THR A 85 -5.862 12.265 2.940 1.00 0.76 O
|
|
|
832
|
+ATOM 1358 CG2 THR A 85 -3.458 12.361 2.773 1.00 0.55 C
|
|
|
833
|
+ATOM 1366 N ILE A 86 -3.051 10.211 -0.200 1.00 0.41 N
|
|
|
834
|
+ATOM 1367 CA ILE A 86 -1.727 9.654 -0.602 1.00 0.40 C
|
|
|
835
|
+ATOM 1368 C ILE A 86 -0.610 10.583 -0.118 1.00 0.44 C
|
|
|
836
|
+ATOM 1369 O ILE A 86 -0.489 11.706 -0.564 1.00 0.59 O
|
|
|
837
|
+ATOM 1370 CB ILE A 86 -1.665 9.540 -2.126 1.00 0.38 C
|
|
|
838
|
+ATOM 1371 CG1 ILE A 86 -2.821 8.668 -2.620 1.00 0.74 C
|
|
|
839
|
+ATOM 1372 CG2 ILE A 86 -0.331 8.915 -2.540 1.00 0.93 C
|
|
|
840
|
+ATOM 1373 CD1 ILE A 86 -2.613 7.223 -2.166 1.00 0.32 C
|
|
|
841
|
+ATOM 1385 N ILE A 87 0.212 10.123 0.786 1.00 0.39 N
|
|
|
842
|
+ATOM 1386 CA ILE A 87 1.322 10.982 1.287 1.00 0.44 C
|
|
|
843
|
+ATOM 1387 C ILE A 87 2.659 10.368 0.860 1.00 0.44 C
|
|
|
844
|
+ATOM 1388 O ILE A 87 3.132 9.413 1.442 1.00 0.55 O
|
|
|
845
|
+ATOM 1389 CB ILE A 87 1.247 11.073 2.813 1.00 0.46 C
|
|
|
846
|
+ATOM 1390 CG1 ILE A 87 0.091 11.995 3.208 1.00 0.57 C
|
|
|
847
|
+ATOM 1391 CG2 ILE A 87 2.556 11.640 3.362 1.00 0.55 C
|
|
|
848
|
+ATOM 1392 CD1 ILE A 87 -0.237 11.800 4.689 1.00 0.61 C
|
|
|
849
|
+ATOM 1404 N LEU A 88 3.259 10.902 -0.170 1.00 0.50 N
|
|
|
850
|
+ATOM 1405 CA LEU A 88 4.552 10.348 -0.662 1.00 0.52 C
|
|
|
851
|
+ATOM 1406 C LEU A 88 5.728 11.146 -0.093 1.00 0.56 C
|
|
|
852
|
+ATOM 1407 O LEU A 88 5.984 12.263 -0.495 1.00 0.80 O
|
|
|
853
|
+ATOM 1408 CB LEU A 88 4.558 10.413 -2.173 1.00 0.59 C
|
|
|
854
|
+ATOM 1409 CG LEU A 88 3.653 9.297 -2.669 1.00 0.82 C
|
|
|
855
|
+ATOM 1410 CD1 LEU A 88 2.691 9.851 -3.697 1.00 0.94 C
|
|
|
856
|
+ATOM 1411 CD2 LEU A 88 4.496 8.193 -3.286 1.00 1.57 C
|
|
|
857
|
+ATOM 1423 N SER A 89 6.445 10.581 0.841 1.00 0.55 N
|
|
|
858
|
+ATOM 1424 CA SER A 89 7.604 11.308 1.435 1.00 0.62 C
|
|
|
859
|
+ATOM 1425 C SER A 89 8.908 10.659 0.968 1.00 0.85 C
|
|
|
860
|
+ATOM 1426 O SER A 89 8.935 9.445 0.852 1.00 1.41 O
|
|
|
861
|
+ATOM 1427 CB SER A 89 7.520 11.241 2.961 1.00 0.87 C
|
|
|
862
|
+ATOM 1428 OG SER A 89 7.246 12.538 3.473 1.00 1.64 O
|
|
|
863
|
+ATOM 1429 OXT SER A 89 9.859 11.388 0.735 1.00 1.52 O
|
|
|
864
|
+TER 1435 SER A 89
|
|
|
865
|
+MASTER 97 1 0 4 3 0 0 6 1434 1 0 7
|
|
|
866
|
+END
|
Thomas Forest