HEADER TRANSPORT 31-AUG-98 1BSY TITLE STRUCTURAL BASIS OF THE TANFORD TRANSITION OF BOVINE BETA- TITLE 2 LACTOGLOBULIN FROM CRYSTAL STRUCTURES AT THREE PH VALUES; TITLE 3 PH 7.1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: BETA-LACTOGLOBULIN; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913; SOURCE 5 VARIANT: VARIANT A; SOURCE 6 SECRETION: MILK KEYWDS TRANSPORT, BETA-LACTOGLOBULIN, PH-DEPENDENT CONFORMATION, KEYWDS 2 LOOP MOVEMENT, TANFORD TRANSITION, CRYSTAL STRUCTURE EXPDTA X-RAY DIFFRACTION AUTHOR B.Y.QIN,M.C.BEWLEY,L.K.CREAMER,E.N.BAKER,G.B.JAMESON REVDAT 3 24-FEB-09 1BSY 1 VERSN REVDAT 2 16-FEB-99 1BSY 1 SOURCE COMPND REMARK DBREF REVDAT 2 2 1 SEQADV JRNL KEYWDS HEADER REVDAT 1 27-JAN-99 1BSY 0 JRNL AUTH B.Y.QIN,M.C.BEWLEY,L.K.CREAMER,H.M.BAKER,E.N.BAKER, JRNL AUTH 2 G.B.JAMESON JRNL TITL STRUCTURAL BASIS OF THE TANFORD TRANSITION OF JRNL TITL 2 BOVINE BETA-LACTOGLOBULIN. JRNL REF BIOCHEMISTRY V. 37 14014 1998 JRNL REFN ISSN 0006-2960 JRNL PMID 9760236 JRNL DOI 10.1021/BI981016T REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH B.Y.QIN REMARK 1 TITL STRUCTURE DETERMINATION OF BOVINE REMARK 1 TITL 2 BETA-LACTOGLOBULIN VARIANTS A AND B REMARK 1 REF THESIS, MASSEY UNIVERSITY 1998 REMARK 1 PUBL PALMERSTON NORTH, N.Z. : MASSEY UNIVERSITY (THESIS) REMARK 1 REFN REMARK 2 REMARK 2 RESOLUTION. 2.24 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) : 2.24 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 15.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 100000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0100 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 90.9 REMARK 3 NUMBER OF REFLECTIONS : 8695 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.234 REMARK 3 FREE R VALUE : 0.279 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.690 REMARK 3 FREE R VALUE TEST SET COUNT : 576 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.010 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) : 2.24 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.34 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 81.48 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 910 REMARK 3 BIN R VALUE (WORKING SET) : 0.3700 REMARK 3 BIN FREE R VALUE : 0.3600 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 6.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 58 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.050 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1286 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 62 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 54.70 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 50.50 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.00000 REMARK 3 B22 (A**2) : 0.00000 REMARK 3 B33 (A**2) : 0.00000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.43 REMARK 3 ESD FROM SIGMAA (A) : 0.88 REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL 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) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL 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 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1BSY 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 : 08-MAY-97 REMARK 200 TEMPERATURE (KELVIN) : 298 REMARK 200 PH : 7.1 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH2R REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NI REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9293 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.240 REMARK 200 RESOLUTION RANGE LOW (A) : 15.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.4 REMARK 200 DATA REDUNDANCY : 3.070 REMARK 200 R MERGE (I) : 0.03800 REMARK 200 R SYM (I) : 0.03800 REMARK 200 FOR THE DATA SET : 24.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.24 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.28 REMARK 200 COMPLETENESS FOR SHELL (%) : 95.6 REMARK 200 DATA REDUNDANCY IN SHELL : 3.07 REMARK 200 R MERGE FOR SHELL (I) : 0.54000 REMARK 200 R SYM FOR SHELL (I) : 0.03800 REMARK 200 FOR SHELL : 2.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: X-PLOR 3.851 REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: DATA WERE COLLECTED USING OSCILLATION METHOD REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 35.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.62 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 7.1 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+1/3 REMARK 290 6555 -X,-X+Y,-Z+2/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 74.94000 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 37.47000 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 37.47000 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 74.94000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 37.47000 REMARK 450 REMARK 450 SOURCE REMARK 450 REMARK 450 ISOLATED FIRST FROM COW'S MILK IN 1934 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ILE A 2 -42.07 -142.11 REMARK 500 ASP A 33 -83.14 -29.20 REMARK 500 ASN A 63 -97.18 -96.47 REMARK 500 ASP A 64 35.34 -150.20 REMARK 500 ALA A 86 -157.44 160.33 REMARK 500 THR A 97 139.95 -178.83 REMARK 500 TYR A 99 -37.61 70.60 REMARK 500 PRO A 113 -74.53 -62.32 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 169 DISTANCE = 5.37 ANGSTROMS REMARK 525 HOH A 172 DISTANCE = 7.45 ANGSTROMS REMARK 525 HOH A 179 DISTANCE = 5.24 ANGSTROMS REMARK 525 HOH A 180 DISTANCE = 10.50 ANGSTROMS REMARK 525 HOH A 181 DISTANCE = 6.63 ANGSTROMS REMARK 525 HOH A 225 DISTANCE = 6.22 ANGSTROMS DBREF 1BSY A 1 162 UNP P02754 LACB_BOVIN 17 178 SEQADV 1BSY ASP A 64 UNP P02754 GLY 80 SEE REMARK 999 SEQADV 1BSY VAL A 118 UNP P02754 ALA 134 SEE REMARK 999 SEQRES 1 A 162 LEU ILE VAL THR GLN THR MET LYS GLY LEU ASP ILE GLN SEQRES 2 A 162 LYS VAL ALA GLY THR TRP TYR SER LEU ALA MET ALA ALA SEQRES 3 A 162 SER ASP ILE SER LEU LEU ASP ALA GLN SER ALA PRO LEU SEQRES 4 A 162 ARG VAL TYR VAL GLU GLU LEU LYS PRO THR PRO GLU GLY SEQRES 5 A 162 ASP LEU GLU ILE LEU LEU GLN LYS TRP GLU ASN ASP GLU SEQRES 6 A 162 CYS ALA GLN LYS LYS ILE ILE ALA GLU LYS THR LYS ILE SEQRES 7 A 162 PRO ALA VAL PHE LYS ILE ASP ALA LEU ASN GLU ASN LYS SEQRES 8 A 162 VAL LEU VAL LEU ASP THR ASP TYR LYS LYS TYR LEU LEU SEQRES 9 A 162 PHE CYS MET GLU ASN SER ALA GLU PRO GLU GLN SER LEU SEQRES 10 A 162 VAL CYS GLN CYS LEU VAL ARG THR PRO GLU VAL ASP ASP SEQRES 11 A 162 GLU ALA LEU GLU LYS PHE ASP LYS ALA LEU LYS ALA LEU SEQRES 12 A 162 PRO MET HIS ILE ARG LEU SER PHE ASN PRO THR GLN LEU SEQRES 13 A 162 GLU GLU GLN CYS HIS ILE FORMUL 2 HOH *59(H2 O) HELIX 1 1 ILE A 12 VAL A 15 5 4 HELIX 2 2 ILE A 29 LEU A 32 1 4 HELIX 3 3 ASP A 130 LYS A 141 1 12 HELIX 4 4 PRO A 153 LEU A 156 1 4 SHEET 1 A 6 ILE A 147 SER A 150 0 SHEET 2 A 6 TYR A 20 ALA A 26 -1 N ALA A 26 O ILE A 147 SHEET 3 A 6 VAL A 118 VAL A 123 -1 N VAL A 123 O TYR A 20 SHEET 4 A 6 TYR A 102 ASN A 109 -1 N MET A 107 O VAL A 118 SHEET 5 A 6 ASN A 90 THR A 97 -1 N ASP A 96 O LEU A 104 SHEET 6 A 6 VAL A 81 ILE A 84 -1 N ILE A 84 O ASN A 90 SHEET 1 B 3 CYS A 66 ALA A 73 0 SHEET 2 B 3 LEU A 54 TRP A 61 -1 N LYS A 60 O ALA A 67 SHEET 3 B 3 VAL A 41 PRO A 48 -1 N LYS A 47 O GLU A 55 SSBOND 1 CYS A 66 CYS A 160 1555 1555 2.04 SSBOND 2 CYS A 106 CYS A 119 1555 1555 2.02 CRYST1 53.960 53.960 112.410 90.00 90.00 120.00 P 32 2 1 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.018532 0.010700 0.000000 0.00000 SCALE2 0.000000 0.021399 0.000000 0.00000 SCALE3 0.000000 0.000000 0.008896 0.00000 ATOM 1 N LEU A 1 -19.030 12.307 17.785 1.00 89.24 N ATOM 2 CA LEU A 1 -20.285 13.086 17.979 1.00 87.68 C ATOM 3 C LEU A 1 -20.792 12.980 19.432 1.00 84.90 C ATOM 4 O LEU A 1 -21.780 12.297 19.715 1.00 84.88 O ATOM 5 CB LEU A 1 -21.352 12.609 16.982 1.00 90.63 C ATOM 6 CG LEU A 1 -22.515 13.537 16.622 1.00 92.22 C ATOM 7 CD1 LEU A 1 -22.408 13.961 15.157 1.00 93.04 C ATOM 8 CD2 LEU A 1 -23.820 12.785 16.851 1.00 93.67 C ATOM 9 N ILE A 2 -20.008 13.546 20.349 1.00 79.86 N ATOM 10 CA ILE A 2 -20.325 13.609 21.788 1.00 74.36 C ATOM 11 C ILE A 2 -19.805 14.991 22.142 1.00 70.11 C ATOM 12 O ILE A 2 -20.401 15.739 22.923 1.00 68.56 O ATOM 13 CB ILE A 2 -19.470 12.656 22.678 1.00 73.57 C ATOM 14 CG1 ILE A 2 -19.155 11.345 21.971 1.00 72.60 C ATOM 15 CG2 ILE A 2 -20.171 12.410 24.024 1.00 71.30 C ATOM 16 CD1 ILE A 2 -17.932 10.662 22.556 1.00 72.77 C ATOM 17 N VAL A 3 -18.634 15.273 21.581 1.00 65.56 N ATOM 18 CA VAL A 3 -17.952 16.534 21.781 1.00 62.91 C ATOM 19 C VAL A 3 -18.673 17.608 20.982 1.00 62.94 C ATOM 20 O VAL A 3 -18.719 17.573 19.748 1.00 62.05 O ATOM 21 CB VAL A 3 -16.480 16.433 21.358 1.00 60.23 C ATOM 22 CG1 VAL A 3 -15.716 17.641 21.853 1.00 58.00 C ATOM 23 CG2 VAL A 3 -15.869 15.152 21.904 1.00 58.33 C ATOM 24 N THR A 4 -19.291 18.519 21.723 1.00 64.37 N ATOM 25 CA THR A 4 -20.068 19.627 21.181 1.00 65.69 C ATOM 26 C THR A 4 -19.242 20.868 20.848 1.00 62.42 C ATOM 27 O THR A 4 -19.794 21.930 20.536 1.00 63.55 O ATOM 28 CB THR A 4 -21.200 20.016 22.162 1.00 68.40 C ATOM 29 OG1 THR A 4 -20.654 20.165 23.485 1.00 71.23 O ATOM 30 CG2 THR A 4 -22.279 18.938 22.185 1.00 69.03 C ATOM 31 N GLN A 5 -17.930 20.769 21.004 1.00 56.93 N ATOM 32 CA GLN A 5 -17.070 21.885 20.662 1.00 53.17 C ATOM 33 C GLN A 5 -16.213 21.446 19.490 1.00 50.55 C ATOM 34 O GLN A 5 -15.655 20.345 19.479 1.00 51.03 O ATOM 35 CB GLN A 5 -16.217 22.328 21.841 1.00 54.75 C ATOM 36 CG GLN A 5 -16.448 23.772 22.223 1.00 57.16 C ATOM 37 CD GLN A 5 -15.399 24.297 23.187 1.00 59.56 C ATOM 38 OE1 GLN A 5 -14.531 25.085 22.807 1.00 59.27 O ATOM 39 NE2 GLN A 5 -15.478 23.871 24.445 1.00 61.14 N ATOM 40 N THR A 6 -16.200 22.285 18.471 1.00 45.97 N ATOM 41 CA THR A 6 -15.467 22.052 17.243 1.00 42.99 C ATOM 42 C THR A 6 -14.884 23.419 17.003 1.00 40.73 C ATOM 43 O THR A 6 -15.474 24.412 17.424 1.00 40.20 O ATOM 44 CB THR A 6 -16.478 21.653 16.096 1.00 44.39 C ATOM 45 OG1 THR A 6 -16.507 20.231 15.958 1.00 48.87 O ATOM 46 CG2 THR A 6 -16.151 22.287 14.739 1.00 43.11 C ATOM 47 N MET A 7 -13.698 23.494 16.426 1.00 39.39 N ATOM 48 CA MET A 7 -13.156 24.808 16.161 1.00 39.82 C ATOM 49 C MET A 7 -13.528 25.295 14.768 1.00 41.08 C ATOM 50 O MET A 7 -13.395 24.567 13.788 1.00 42.59 O ATOM 51 CB MET A 7 -11.648 24.847 16.331 1.00 38.93 C ATOM 52 CG MET A 7 -11.186 26.196 16.839 1.00 38.86 C ATOM 53 SD MET A 7 -9.753 26.778 15.990 1.00 43.20 S ATOM 54 CE MET A 7 -9.873 28.515 16.331 1.00 38.50 C ATOM 55 N LYS A 8 -14.054 26.509 14.691 1.00 41.85 N ATOM 56 CA LYS A 8 -14.419 27.103 13.417 1.00 42.30 C ATOM 57 C LYS A 8 -13.180 27.761 12.792 1.00 42.35 C ATOM 58 O LYS A 8 -12.456 28.505 13.459 1.00 42.11 O ATOM 59 CB LYS A 8 -15.498 28.178 13.611 1.00 44.12 C ATOM 60 CG LYS A 8 -16.909 27.677 13.874 1.00 45.11 C ATOM 61 CD LYS A 8 -17.908 28.845 13.845 1.00 44.19 C ATOM 62 CE LYS A 8 -19.347 28.358 13.848 1.00 41.80 C ATOM 63 NZ LYS A 8 -20.314 29.453 13.570 1.00 40.67 N ATOM 64 N GLY A 9 -12.930 27.452 11.524 1.00 42.81 N ATOM 65 CA GLY A 9 -11.815 28.051 10.812 1.00 42.20 C ATOM 66 C GLY A 9 -10.421 27.613 11.179 1.00 41.34 C ATOM 67 O GLY A 9 -9.509 28.432 11.227 1.00 46.19 O ATOM 68 N LEU A 10 -10.235 26.316 11.363 1.00 40.31 N ATOM 69 CA LEU A 10 -8.931 25.804 11.718 1.00 40.60 C ATOM 70 C LEU A 10 -8.003 25.857 10.534 1.00 42.84 C ATOM 71 O LEU A 10 -8.378 25.487 9.422 1.00 47.02 O ATOM 72 CB LEU A 10 -9.021 24.364 12.188 1.00 39.84 C ATOM 73 CG LEU A 10 -7.678 23.727 12.543 1.00 39.67 C ATOM 74 CD1 LEU A 10 -7.116 24.383 13.799 1.00 40.69 C ATOM 75 CD2 LEU A 10 -7.869 22.239 12.753 1.00 39.82 C ATOM 76 N ASP A 11 -6.781 26.300 10.784 1.00 42.75 N ATOM 77 CA ASP A 11 -5.764 26.370 9.760 1.00 40.81 C ATOM 78 C ASP A 11 -4.697 25.420 10.261 1.00 38.20 C ATOM 79 O ASP A 11 -3.822 25.834 10.998 1.00 38.29 O ATOM 80 CB ASP A 11 -5.206 27.800 9.686 1.00 42.78 C ATOM 81 CG ASP A 11 -4.329 28.031 8.467 1.00 44.11 C ATOM 82 OD1 ASP A 11 -3.773 27.054 7.909 1.00 45.57 O ATOM 83 OD2 ASP A 11 -4.208 29.209 8.063 1.00 44.80 O ATOM 84 N ILE A 12 -4.759 24.148 9.887 1.00 38.26 N ATOM 85 CA ILE A 12 -3.758 23.210 10.390 1.00 40.63 C ATOM 86 C ILE A 12 -2.334 23.597 10.079 1.00 41.10 C ATOM 87 O ILE A 12 -1.412 23.098 10.707 1.00 42.66 O ATOM 88 CB ILE A 12 -3.955 21.755 9.926 1.00 43.57 C ATOM 89 CG1 ILE A 12 -4.140 21.688 8.412 1.00 46.03 C ATOM 90 CG2 ILE A 12 -5.059 21.091 10.723 1.00 44.12 C ATOM 91 CD1 ILE A 12 -3.928 20.288 7.846 1.00 47.30 C ATOM 92 N GLN A 13 -2.134 24.460 9.098 1.00 41.56 N ATOM 93 CA GLN A 13 -0.783 24.863 8.782 1.00 41.43 C ATOM 94 C GLN A 13 -0.249 25.591 9.989 1.00 41.23 C ATOM 95 O GLN A 13 0.915 25.442 10.347 1.00 43.80 O ATOM 96 CB GLN A 13 -0.744 25.753 7.539 1.00 44.71 C ATOM 97 CG GLN A 13 -1.131 25.006 6.261 1.00 50.39 C ATOM 98 CD GLN A 13 -0.243 23.786 5.982 1.00 53.49 C ATOM 99 OE1 GLN A 13 0.960 23.812 6.244 1.00 55.17 O ATOM 100 NE2 GLN A 13 -0.833 22.723 5.436 1.00 52.89 N ATOM 101 N LYS A 14 -1.140 26.285 10.688 1.00 39.59 N ATOM 102 CA LYS A 14 -0.753 27.049 11.868 1.00 38.58 C ATOM 103 C LYS A 14 -0.573 26.273 13.174 1.00 35.92 C ATOM 104 O LYS A 14 -0.176 26.847 14.171 1.00 35.79 O ATOM 105 CB LYS A 14 -1.692 28.238 12.066 1.00 40.94 C ATOM 106 CG LYS A 14 -1.580 29.269 10.956 1.00 45.56 C ATOM 107 CD LYS A 14 -2.653 30.338 11.017 1.00 48.66 C ATOM 108 CE LYS A 14 -2.499 31.254 12.227 1.00 51.92 C ATOM 109 NZ LYS A 14 -3.511 32.366 12.174 1.00 54.53 N ATOM 110 N VAL A 15 -0.906 24.990 13.200 1.00 36.12 N ATOM 111 CA VAL A 15 -0.714 24.224 14.430 1.00 34.53 C ATOM 112 C VAL A 15 0.559 23.376 14.301 1.00 37.97 C ATOM 113 O VAL A 15 0.812 22.467 15.101 1.00 41.67 O ATOM 114 CB VAL A 15 -1.944 23.314 14.788 1.00 32.79 C ATOM 115 CG1 VAL A 15 -3.225 24.146 14.896 1.00 30.35 C ATOM 116 CG2 VAL A 15 -2.101 22.164 13.785 1.00 29.57 C ATOM 117 N ALA A 16 1.367 23.682 13.292 1.00 36.88 N ATOM 118 CA ALA A 16 2.602 22.951 13.055 1.00 32.60 C ATOM 119 C ALA A 16 3.668 23.258 14.102 1.00 31.96 C ATOM 120 O ALA A 16 3.784 24.396 14.579 1.00 27.27 O ATOM 121 CB ALA A 16 3.133 23.285 11.685 1.00 32.63 C ATOM 122 N GLY A 17 4.462 22.245 14.438 1.00 31.78 N ATOM 123 CA GLY A 17 5.531 22.453 15.390 1.00 33.30 C ATOM 124 C GLY A 17 5.516 21.666 16.685 1.00 34.62 C ATOM 125 O GLY A 17 4.893 20.596 16.798 1.00 33.27 O ATOM 126 N THR A 18 6.232 22.240 17.654 1.00 35.30 N ATOM 127 CA THR A 18 6.436 21.722 19.004 1.00 34.78 C ATOM 128 C THR A 18 5.250 21.910 19.946 1.00 34.40 C ATOM 129 O THR A 18 4.724 23.017 20.066 1.00 34.83 O ATOM 130 CB THR A 18 7.634 22.436 19.634 1.00 35.67 C ATOM 131 OG1 THR A 18 8.809 22.164 18.861 1.00 36.67 O ATOM 132 CG2 THR A 18 7.847 21.987 21.067 1.00 37.91 C ATOM 133 N TRP A 19 4.895 20.843 20.667 1.00 34.60 N ATOM 134 CA TRP A 19 3.773 20.856 21.622 1.00 33.20 C ATOM 135 C TRP A 19 4.042 20.012 22.886 1.00 31.34 C ATOM 136 O TRP A 19 4.711 18.971 22.828 1.00 31.14 O ATOM 137 CB TRP A 19 2.477 20.335 20.953 1.00 30.75 C ATOM 138 CG TRP A 19 1.815 21.260 19.956 1.00 27.27 C ATOM 139 CD1 TRP A 19 1.774 21.105 18.596 1.00 25.76 C ATOM 140 CD2 TRP A 19 1.074 22.448 20.252 1.00 21.91 C ATOM 141 NE1 TRP A 19 1.048 22.120 18.031 1.00 24.92 N ATOM 142 CE2 TRP A 19 0.600 22.961 19.023 1.00 25.55 C ATOM 143 CE3 TRP A 19 0.746 23.135 21.428 1.00 24.47 C ATOM 144 CZ2 TRP A 19 -0.165 24.125 18.940 1.00 25.08 C ATOM 145 CZ3 TRP A 19 -0.015 24.292 21.347 1.00 23.93 C ATOM 146 CH2 TRP A 19 -0.466 24.772 20.109 1.00 23.46 C ATOM 147 N TYR A 20 3.457 20.442 24.006 1.00 32.30 N ATOM 148 CA TYR A 20 3.581 19.754 25.305 1.00 33.18 C ATOM 149 C TYR A 20 2.209 19.320 25.847 1.00 28.51 C ATOM 150 O TYR A 20 1.295 20.140 25.935 1.00 29.31 O ATOM 151 CB TYR A 20 4.219 20.690 26.340 1.00 33.27 C ATOM 152 CG TYR A 20 5.664 21.033 26.077 1.00 36.38 C ATOM 153 CD1 TYR A 20 6.687 20.185 26.483 1.00 36.84 C ATOM 154 CD2 TYR A 20 6.011 22.195 25.404 1.00 38.63 C ATOM 155 CE1 TYR A 20 8.021 20.487 26.221 1.00 37.14 C ATOM 156 CE2 TYR A 20 7.348 22.501 25.136 1.00 38.06 C ATOM 157 CZ TYR A 20 8.343 21.644 25.548 1.00 37.50 C ATOM 158 OH TYR A 20 9.658 21.946 25.291 1.00 39.49 O ATOM 159 N SER A 21 2.047 18.044 26.184 1.00 25.59 N ATOM 160 CA SER A 21 0.786 17.552 26.747 1.00 26.21 C ATOM 161 C SER A 21 0.750 17.971 28.197 1.00 23.94 C ATOM 162 O SER A 21 1.231 17.241 29.057 1.00 26.54 O ATOM 163 CB SER A 21 0.715 16.033 26.701 1.00 24.07 C ATOM 164 OG SER A 21 0.727 15.575 25.368 1.00 30.18 O ATOM 165 N LEU A 22 0.184 19.138 28.460 1.00 24.07 N ATOM 166 CA LEU A 22 0.101 19.687 29.803 1.00 25.22 C ATOM 167 C LEU A 22 -0.912 19.000 30.714 1.00 27.53 C ATOM 168 O LEU A 22 -0.667 18.837 31.904 1.00 29.63 O ATOM 169 CB LEU A 22 -0.188 21.175 29.703 1.00 22.47 C ATOM 170 CG LEU A 22 -0.497 21.907 30.996 1.00 23.73 C ATOM 171 CD1 LEU A 22 0.598 21.714 32.012 1.00 23.40 C ATOM 172 CD2 LEU A 22 -0.676 23.368 30.662 1.00 22.65 C ATOM 173 N ALA A 23 -2.053 18.614 30.151 1.00 30.08 N ATOM 174 CA ALA A 23 -3.105 17.938 30.896 1.00 25.71 C ATOM 175 C ALA A 23 -3.788 16.895 30.007 1.00 26.49 C ATOM 176 O ALA A 23 -3.803 17.021 28.780 1.00 27.30 O ATOM 177 CB ALA A 23 -4.115 18.954 31.408 1.00 25.11 C ATOM 178 N MET A 24 -4.312 15.851 30.642 1.00 27.87 N ATOM 179 CA MET A 24 -5.014 14.747 29.993 1.00 26.98 C ATOM 180 C MET A 24 -6.240 14.428 30.819 1.00 27.45 C ATOM 181 O MET A 24 -6.234 14.586 32.032 1.00 32.14 O ATOM 182 CB MET A 24 -4.171 13.480 30.012 1.00 29.24 C ATOM 183 CG MET A 24 -2.980 13.485 29.119 1.00 33.09 C ATOM 184 SD MET A 24 -2.075 11.952 29.285 1.00 36.23 S ATOM 185 CE MET A 24 -0.555 12.419 28.459 1.00 31.96 C ATOM 186 N ALA A 25 -7.246 13.861 30.180 1.00 27.85 N ATOM 187 CA ALA A 25 -8.461 13.479 30.867 1.00 24.54 C ATOM 188 C ALA A 25 -9.126 12.436 29.989 1.00 26.36 C ATOM 189 O ALA A 25 -9.045 12.494 28.761 1.00 26.93 O ATOM 190 CB ALA A 25 -9.361 14.681 31.051 1.00 23.84 C ATOM 191 N ALA A 26 -9.736 11.450 30.620 1.00 26.05 N ATOM 192 CA ALA A 26 -10.409 10.394 29.890 1.00 27.20 C ATOM 193 C ALA A 26 -11.694 10.065 30.625 1.00 30.37 C ATOM 194 O ALA A 26 -11.858 10.414 31.796 1.00 31.86 O ATOM 195 CB ALA A 26 -9.523 9.173 29.810 1.00 27.07 C ATOM 196 N SER A 27 -12.613 9.407 29.935 1.00 32.11 N ATOM 197 CA SER A 27 -13.881 9.031 30.550 1.00 35.89 C ATOM 198 C SER A 27 -13.724 7.748 31.369 1.00 37.26 C ATOM 199 O SER A 27 -14.566 7.433 32.211 1.00 38.64 O ATOM 200 CB SER A 27 -14.967 8.887 29.481 1.00 34.75 C ATOM 201 OG SER A 27 -14.458 8.198 28.358 1.00 36.15 O ATOM 202 N ASP A 28 -12.601 7.062 31.179 1.00 37.09 N ATOM 203 CA ASP A 28 -12.329 5.831 31.893 1.00 39.31 C ATOM 204 C ASP A 28 -10.972 5.912 32.563 1.00 38.77 C ATOM 205 O ASP A 28 -9.973 6.238 31.929 1.00 38.75 O ATOM 206 CB ASP A 28 -12.360 4.644 30.933 1.00 46.27 C ATOM 207 CG ASP A 28 -12.747 3.338 31.622 1.00 51.84 C ATOM 208 OD1 ASP A 28 -12.096 2.946 32.619 1.00 55.22 O ATOM 209 OD2 ASP A 28 -13.719 2.703 31.164 1.00 55.73 O ATOM 210 N ILE A 29 -10.944 5.586 33.849 1.00 39.00 N ATOM 211 CA ILE A 29 -9.715 5.618 34.628 1.00 37.97 C ATOM 212 C ILE A 29 -8.667 4.692 34.001 1.00 39.15 C ATOM 213 O ILE A 29 -7.491 5.060 33.892 1.00 38.23 O ATOM 214 CB ILE A 29 -9.999 5.200 36.116 1.00 37.79 C ATOM 215 CG1 ILE A 29 -10.998 6.166 36.766 1.00 36.43 C ATOM 216 CG2 ILE A 29 -8.723 5.186 36.931 1.00 36.34 C ATOM 217 CD1 ILE A 29 -11.492 5.712 38.126 1.00 33.24 C ATOM 218 N SER A 30 -9.115 3.535 33.507 1.00 40.59 N ATOM 219 CA SER A 30 -8.228 2.527 32.915 1.00 40.95 C ATOM 220 C SER A 30 -7.521 2.879 31.611 1.00 43.07 C ATOM 221 O SER A 30 -6.701 2.097 31.120 1.00 46.38 O ATOM 222 CB SER A 30 -8.972 1.204 32.748 1.00 39.81 C ATOM 223 OG SER A 30 -10.179 1.391 32.033 1.00 42.08 O ATOM 224 N LEU A 31 -7.837 4.036 31.040 1.00 43.78 N ATOM 225 CA LEU A 31 -7.201 4.460 29.801 1.00 43.01 C ATOM 226 C LEU A 31 -5.969 5.301 30.083 1.00 43.40 C ATOM 227 O LEU A 31 -5.021 5.302 29.298 1.00 45.71 O ATOM 228 CB LEU A 31 -8.170 5.253 28.926 1.00 43.70 C ATOM 229 CG LEU A 31 -9.352 4.492 28.325 1.00 44.37 C ATOM 230 CD1 LEU A 31 -10.177 5.439 27.474 1.00 44.34 C ATOM 231 CD2 LEU A 31 -8.853 3.311 27.491 1.00 47.27 C ATOM 232 N LEU A 32 -5.987 6.017 31.204 1.00 44.14 N ATOM 233 CA LEU A 32 -4.868 6.873 31.590 1.00 43.93 C ATOM 234 C LEU A 32 -4.170 6.396 32.852 1.00 46.42 C ATOM 235 O LEU A 32 -3.121 6.920 33.217 1.00 45.73 O ATOM 236 CB LEU A 32 -5.336 8.320 31.780 1.00 38.18 C ATOM 237 CG LEU A 32 -5.688 9.127 30.529 1.00 34.38 C ATOM 238 CD1 LEU A 32 -6.097 10.520 30.945 1.00 34.06 C ATOM 239 CD2 LEU A 32 -4.501 9.201 29.580 1.00 34.49 C ATOM 240 N ASP A 33 -4.762 5.395 33.496 1.00 51.77 N ATOM 241 CA ASP A 33 -4.249 4.807 34.734 1.00 56.67 C ATOM 242 C ASP A 33 -2.722 4.862 34.924 1.00 57.56 C ATOM 243 O ASP A 33 -2.194 5.746 35.606 1.00 58.58 O ATOM 244 CB ASP A 33 -4.727 3.349 34.838 1.00 59.93 C ATOM 245 CG ASP A 33 -5.647 3.110 36.026 1.00 63.64 C ATOM 246 OD1 ASP A 33 -5.807 4.014 36.880 1.00 66.04 O ATOM 247 OD2 ASP A 33 -6.208 1.993 36.108 1.00 65.66 O ATOM 248 N ALA A 34 -2.018 3.904 34.332 1.00 58.21 N ATOM 249 CA ALA A 34 -0.572 3.838 34.463 1.00 57.52 C ATOM 250 C ALA A 34 0.156 4.418 33.268 1.00 57.37 C ATOM 251 O ALA A 34 -0.451 4.817 32.280 1.00 55.42 O ATOM 252 CB ALA A 34 -0.136 2.397 34.689 1.00 58.33 C ATOM 253 N GLN A 35 1.477 4.355 33.345 1.00 59.24 N ATOM 254 CA GLN A 35 2.350 4.860 32.304 1.00 62.14 C ATOM 255 C GLN A 35 2.213 4.000 31.061 1.00 61.17 C ATOM 256 O GLN A 35 2.367 4.478 29.939 1.00 60.52 O ATOM 257 CB GLN A 35 3.789 4.831 32.811 1.00 67.03 C ATOM 258 CG GLN A 35 4.770 5.649 31.984 1.00 73.93 C ATOM 259 CD GLN A 35 4.492 7.147 32.024 1.00 76.53 C ATOM 260 OE1 GLN A 35 3.829 7.650 32.944 1.00 80.07 O ATOM 261 NE2 GLN A 35 5.009 7.868 31.036 1.00 76.93 N ATOM 262 N SER A 36 1.940 2.718 31.279 1.00 62.22 N ATOM 263 CA SER A 36 1.770 1.750 30.200 1.00 62.71 C ATOM 264 C SER A 36 0.318 1.696 29.703 1.00 61.02 C ATOM 265 O SER A 36 -0.017 0.910 28.812 1.00 61.36 O ATOM 266 CB SER A 36 2.243 0.360 30.661 1.00 65.04 C ATOM 267 OG SER A 36 1.925 0.147 32.034 1.00 66.74 O ATOM 268 N ALA A 37 -0.543 2.510 30.310 1.00 58.75 N ATOM 269 CA ALA A 37 -1.949 2.565 29.927 1.00 56.40 C ATOM 270 C ALA A 37 -2.061 2.874 28.432 1.00 56.23 C ATOM 271 O ALA A 37 -1.408 3.778 27.920 1.00 57.23 O ATOM 272 CB ALA A 37 -2.672 3.615 30.749 1.00 54.96 C ATOM 273 N PRO A 38 -2.943 2.161 27.728 1.00 54.33 N ATOM 274 CA PRO A 38 -3.175 2.309 26.290 1.00 53.44 C ATOM 275 C PRO A 38 -3.158 3.717 25.698 1.00 51.89 C ATOM 276 O PRO A 38 -2.461 3.951 24.709 1.00 52.03 O ATOM 277 CB PRO A 38 -4.519 1.596 26.081 1.00 54.17 C ATOM 278 CG PRO A 38 -5.168 1.621 27.442 1.00 54.24 C ATOM 279 CD PRO A 38 -3.986 1.317 28.327 1.00 55.15 C ATOM 280 N LEU A 39 -3.943 4.640 26.257 1.00 47.74 N ATOM 281 CA LEU A 39 -3.979 5.995 25.721 1.00 40.54 C ATOM 282 C LEU A 39 -3.229 7.047 26.500 1.00 38.48 C ATOM 283 O LEU A 39 -3.571 8.219 26.471 1.00 35.51 O ATOM 284 CB LEU A 39 -5.399 6.445 25.404 1.00 41.71 C ATOM 285 CG LEU A 39 -5.901 5.906 24.059 1.00 42.10 C ATOM 286 CD1 LEU A 39 -6.773 4.699 24.288 1.00 44.62 C ATOM 287 CD2 LEU A 39 -6.693 6.967 23.316 1.00 43.79 C ATOM 288 N ARG A 40 -2.194 6.615 27.198 1.00 37.26 N ATOM 289 CA ARG A 40 -1.349 7.526 27.935 1.00 36.22 C ATOM 290 C ARG A 40 -0.168 7.798 26.977 1.00 37.44 C ATOM 291 O ARG A 40 0.870 7.135 27.051 1.00 39.33 O ATOM 292 CB ARG A 40 -0.883 6.845 29.218 1.00 37.50 C ATOM 293 CG ARG A 40 0.048 7.663 30.078 1.00 39.89 C ATOM 294 CD ARG A 40 -0.685 8.576 31.041 1.00 39.75 C ATOM 295 NE ARG A 40 0.239 9.033 32.083 1.00 41.61 N ATOM 296 CZ ARG A 40 0.264 8.569 33.332 1.00 41.23 C ATOM 297 NH1 ARG A 40 -0.593 7.634 33.723 1.00 42.53 N ATOM 298 NH2 ARG A 40 1.203 8.984 34.175 1.00 41.71 N ATOM 299 N VAL A 41 -0.385 8.699 26.013 1.00 36.15 N ATOM 300 CA VAL A 41 0.621 9.077 25.008 1.00 32.00 C ATOM 301 C VAL A 41 0.972 10.562 25.138 1.00 33.02 C ATOM 302 O VAL A 41 0.134 11.373 25.520 1.00 34.26 O ATOM 303 CB VAL A 41 0.115 8.805 23.569 1.00 33.24 C ATOM 304 CG1 VAL A 41 -0.290 7.350 23.420 1.00 33.85 C ATOM 305 CG2 VAL A 41 -1.056 9.698 23.229 1.00 32.81 C ATOM 306 N TYR A 42 2.205 10.928 24.816 1.00 31.45 N ATOM 307 CA TYR A 42 2.636 12.316 24.939 1.00 29.88 C ATOM 308 C TYR A 42 2.962 12.901 23.593 1.00 31.30 C ATOM 309 O TYR A 42 3.735 12.339 22.840 1.00 34.39 O ATOM 310 CB TYR A 42 3.853 12.394 25.839 1.00 29.33 C ATOM 311 CG TYR A 42 3.629 11.651 27.119 1.00 31.34 C ATOM 312 CD1 TYR A 42 3.887 10.291 27.211 1.00 31.40 C ATOM 313 CD2 TYR A 42 3.103 12.293 28.226 1.00 31.77 C ATOM 314 CE1 TYR A 42 3.619 9.590 28.374 1.00 32.11 C ATOM 315 CE2 TYR A 42 2.841 11.599 29.390 1.00 33.27 C ATOM 316 CZ TYR A 42 3.095 10.253 29.456 1.00 33.14 C ATOM 317 OH TYR A 42 2.820 9.577 30.610 1.00 36.59 O ATOM 318 N VAL A 43 2.392 14.050 23.297 1.00 31.32 N ATOM 319 CA VAL A 43 2.633 14.680 22.025 1.00 31.58 C ATOM 320 C VAL A 43 3.950 15.440 21.981 1.00 35.41 C ATOM 321 O VAL A 43 4.277 16.219 22.882 1.00 34.81 O ATOM 322 CB VAL A 43 1.449 15.572 21.647 1.00 31.97 C ATOM 323 CG1 VAL A 43 1.762 16.397 20.406 1.00 33.58 C ATOM 324 CG2 VAL A 43 0.234 14.704 21.413 1.00 32.30 C ATOM 325 N GLU A 44 4.705 15.180 20.919 1.00 38.95 N ATOM 326 CA GLU A 44 5.996 15.803 20.684 1.00 41.81 C ATOM 327 C GLU A 44 5.909 16.901 19.636 1.00 41.57 C ATOM 328 O GLU A 44 6.310 18.048 19.881 1.00 39.62 O ATOM 329 CB GLU A 44 6.998 14.757 20.192 1.00 46.16 C ATOM 330 CG GLU A 44 7.494 13.797 21.256 1.00 51.75 C ATOM 331 CD GLU A 44 8.327 14.497 22.320 1.00 54.06 C ATOM 332 OE1 GLU A 44 9.502 14.827 22.034 1.00 55.14 O ATOM 333 OE2 GLU A 44 7.796 14.727 23.433 1.00 53.71 O ATOM 334 N GLU A 45 5.346 16.551 18.483 1.00 43.16 N ATOM 335 CA GLU A 45 5.257 17.484 17.368 1.00 45.17 C ATOM 336 C GLU A 45 4.052 17.188 16.492 1.00 42.51 C ATOM 337 O GLU A 45 3.631 16.035 16.367 1.00 42.04 O ATOM 338 CB GLU A 45 6.518 17.309 16.522 1.00 49.09 C ATOM 339 CG GLU A 45 7.112 18.563 15.930 1.00 54.95 C ATOM 340 CD GLU A 45 8.436 18.299 15.203 1.00 57.69 C ATOM 341 OE1 GLU A 45 9.336 17.639 15.785 1.00 58.44 O ATOM 342 OE2 GLU A 45 8.572 18.754 14.045 1.00 59.78 O ATOM 343 N LEU A 46 3.479 18.234 15.918 1.00 40.70 N ATOM 344 CA LEU A 46 2.364 18.071 15.001 1.00 41.24 C ATOM 345 C LEU A 46 2.906 18.526 13.659 1.00 44.72 C ATOM 346 O LEU A 46 3.417 19.650 13.534 1.00 45.08 O ATOM 347 CB LEU A 46 1.178 18.945 15.395 1.00 38.13 C ATOM 348 CG LEU A 46 0.280 18.392 16.493 1.00 35.82 C ATOM 349 CD1 LEU A 46 -0.881 19.344 16.712 1.00 36.09 C ATOM 350 CD2 LEU A 46 -0.218 17.018 16.099 1.00 34.16 C ATOM 351 N LYS A 47 2.812 17.660 12.659 1.00 48.07 N ATOM 352 CA LYS A 47 3.322 17.999 11.341 1.00 51.09 C ATOM 353 C LYS A 47 2.274 17.847 10.223 1.00 50.24 C ATOM 354 O LYS A 47 1.931 16.737 9.827 1.00 50.03 O ATOM 355 CB LYS A 47 4.575 17.153 11.043 1.00 55.20 C ATOM 356 CG LYS A 47 5.617 17.118 12.185 1.00 59.45 C ATOM 357 CD LYS A 47 7.082 17.045 11.688 1.00 63.82 C ATOM 358 CE LYS A 47 7.565 15.627 11.352 1.00 66.46 C ATOM 359 NZ LYS A 47 8.987 15.622 10.863 1.00 68.23 N ATOM 360 N PRO A 48 1.703 18.965 9.745 1.00 49.24 N ATOM 361 CA PRO A 48 0.699 18.906 8.674 1.00 51.17 C ATOM 362 C PRO A 48 1.310 18.723 7.273 1.00 53.70 C ATOM 363 O PRO A 48 2.149 19.527 6.852 1.00 54.26 O ATOM 364 CB PRO A 48 -0.009 20.253 8.803 1.00 49.71 C ATOM 365 CG PRO A 48 1.075 21.149 9.269 1.00 48.97 C ATOM 366 CD PRO A 48 1.769 20.316 10.324 1.00 48.57 C ATOM 367 N THR A 49 0.925 17.651 6.575 1.00 57.54 N ATOM 368 CA THR A 49 1.438 17.389 5.226 1.00 60.82 C ATOM 369 C THR A 49 0.727 18.294 4.215 1.00 64.06 C ATOM 370 O THR A 49 -0.410 18.718 4.440 1.00 64.56 O ATOM 371 CB THR A 49 1.252 15.904 4.778 1.00 60.08 C ATOM 372 OG1 THR A 49 -0.091 15.684 4.321 1.00 59.82 O ATOM 373 CG2 THR A 49 1.568 14.943 5.919 1.00 59.34 C ATOM 374 N PRO A 50 1.383 18.599 3.082 1.00 67.01 N ATOM 375 CA PRO A 50 0.752 19.461 2.073 1.00 67.83 C ATOM 376 C PRO A 50 -0.580 18.922 1.524 1.00 68.12 C ATOM 377 O PRO A 50 -1.404 19.695 1.025 1.00 67.77 O ATOM 378 CB PRO A 50 1.844 19.602 0.998 1.00 68.77 C ATOM 379 CG PRO A 50 2.700 18.364 1.184 1.00 68.71 C ATOM 380 CD PRO A 50 2.760 18.248 2.694 1.00 67.86 C ATOM 381 N GLU A 51 -0.793 17.607 1.623 1.00 68.26 N ATOM 382 CA GLU A 51 -2.037 16.979 1.159 1.00 67.44 C ATOM 383 C GLU A 51 -3.209 17.419 2.038 1.00 66.54 C ATOM 384 O GLU A 51 -4.371 17.326 1.634 1.00 66.61 O ATOM 385 CB GLU A 51 -1.938 15.447 1.198 1.00 68.39 C ATOM 386 CG GLU A 51 -1.267 14.798 -0.017 1.00 69.86 C ATOM 387 CD GLU A 51 0.218 14.518 0.180 1.00 70.36 C ATOM 388 OE1 GLU A 51 0.607 13.988 1.244 1.00 70.21 O ATOM 389 OE2 GLU A 51 0.998 14.808 -0.750 1.00 70.58 O ATOM 390 N GLY A 52 -2.889 17.856 3.256 1.00 64.70 N ATOM 391 CA GLY A 52 -3.896 18.301 4.205 1.00 60.65 C ATOM 392 C GLY A 52 -4.012 17.410 5.437 1.00 57.41 C ATOM 393 O GLY A 52 -4.775 17.713 6.357 1.00 54.85 O ATOM 394 N ASP A 53 -3.299 16.285 5.425 1.00 55.11 N ATOM 395 CA ASP A 53 -3.308 15.330 6.532 1.00 53.62 C ATOM 396 C ASP A 53 -2.513 15.908 7.716 1.00 51.16 C ATOM 397 O ASP A 53 -2.002 17.026 7.635 1.00 50.70 O ATOM 398 CB ASP A 53 -2.698 13.987 6.082 1.00 56.26 C ATOM 399 CG ASP A 53 -3.330 13.437 4.793 1.00 57.96 C ATOM 400 OD1 ASP A 53 -4.367 13.967 4.357 1.00 58.83 O ATOM 401 OD2 ASP A 53 -2.783 12.461 4.215 1.00 60.66 O ATOM 402 N LEU A 54 -2.388 15.148 8.801 1.00 48.04 N ATOM 403 CA LEU A 54 -1.660 15.623 9.980 1.00 48.14 C ATOM 404 C LEU A 54 -0.822 14.515 10.607 1.00 48.46 C ATOM 405 O LEU A 54 -1.369 13.573 11.175 1.00 49.07 O ATOM 406 CB LEU A 54 -2.648 16.178 11.021 1.00 46.05 C ATOM 407 CG LEU A 54 -2.142 16.790 12.335 1.00 44.63 C ATOM 408 CD1 LEU A 54 -1.356 18.064 12.085 1.00 43.75 C ATOM 409 CD2 LEU A 54 -3.331 17.097 13.227 1.00 44.19 C ATOM 410 N GLU A 55 0.498 14.601 10.454 1.00 50.56 N ATOM 411 CA GLU A 55 1.419 13.613 11.032 1.00 51.82 C ATOM 412 C GLU A 55 1.608 13.931 12.508 1.00 48.51 C ATOM 413 O GLU A 55 2.042 15.026 12.879 1.00 46.87 O ATOM 414 CB GLU A 55 2.794 13.633 10.343 1.00 56.00 C ATOM 415 CG GLU A 55 2.875 12.989 8.960 1.00 60.93 C ATOM 416 CD GLU A 55 4.318 12.874 8.460 1.00 63.99 C ATOM 417 OE1 GLU A 55 5.019 13.916 8.378 1.00 64.26 O ATOM 418 OE2 GLU A 55 4.750 11.734 8.155 1.00 65.93 O ATOM 419 N ILE A 56 1.279 12.981 13.357 1.00 44.78 N ATOM 420 CA ILE A 56 1.410 13.185 14.772 1.00 44.33 C ATOM 421 C ILE A 56 2.617 12.433 15.262 1.00 45.14 C ATOM 422 O ILE A 56 2.770 11.249 14.979 1.00 44.42 O ATOM 423 CB ILE A 56 0.175 12.674 15.510 1.00 45.20 C ATOM 424 CG1 ILE A 56 -1.093 13.148 14.798 1.00 44.50 C ATOM 425 CG2 ILE A 56 0.181 13.194 16.945 1.00 46.95 C ATOM 426 CD1 ILE A 56 -2.347 12.453 15.264 1.00 44.14 C ATOM 427 N LEU A 57 3.502 13.137 15.953 1.00 46.43 N ATOM 428 CA LEU A 57 4.690 12.526 16.527 1.00 48.42 C ATOM 429 C LEU A 57 4.524 12.519 18.043 1.00 47.50 C ATOM 430 O LEU A 57 4.512 13.579 18.671 1.00 47.02 O ATOM 431 CB LEU A 57 5.957 13.304 16.146 1.00 51.16 C ATOM 432 CG LEU A 57 6.716 12.861 14.885 1.00 54.10 C ATOM 433 CD1 LEU A 57 7.893 13.791 14.622 1.00 53.97 C ATOM 434 CD2 LEU A 57 7.209 11.424 15.040 1.00 55.59 C ATOM 435 N LEU A 58 4.331 11.335 18.618 1.00 47.34 N ATOM 436 CA LEU A 58 4.170 11.203 20.061 1.00 48.04 C ATOM 437 C LEU A 58 5.105 10.178 20.714 1.00 48.19 C ATOM 438 O LEU A 58 5.936 9.575 20.053 1.00 48.42 O ATOM 439 CB LEU A 58 2.695 10.956 20.442 1.00 47.45 C ATOM 440 CG LEU A 58 1.773 9.823 19.972 1.00 47.15 C ATOM 441 CD1 LEU A 58 1.334 10.036 18.540 1.00 47.82 C ATOM 442 CD2 LEU A 58 2.424 8.471 20.157 1.00 46.26 C ATOM 443 N GLN A 59 4.996 10.043 22.028 1.00 49.19 N ATOM 444 CA GLN A 59 5.807 9.118 22.802 1.00 49.05 C ATOM 445 C GLN A 59 4.856 8.315 23.663 1.00 51.40 C ATOM 446 O GLN A 59 3.813 8.820 24.059 1.00 54.03 O ATOM 447 CB GLN A 59 6.746 9.903 23.703 1.00 48.93 C ATOM 448 CG GLN A 59 7.642 10.878 22.970 1.00 51.70 C ATOM 449 CD GLN A 59 8.507 11.688 23.916 1.00 54.26 C ATOM 450 OE1 GLN A 59 8.016 12.236 24.906 1.00 54.80 O ATOM 451 NE2 GLN A 59 9.803 11.782 23.615 1.00 56.57 N ATOM 452 N LYS A 60 5.192 7.066 23.943 1.00 54.66 N ATOM 453 CA LYS A 60 4.343 6.225 24.775 1.00 60.55 C ATOM 454 C LYS A 60 5.183 5.163 25.448 1.00 65.59 C ATOM 455 O LYS A 60 6.250 4.810 24.951 1.00 68.40 O ATOM 456 CB LYS A 60 3.252 5.550 23.938 1.00 62.38 C ATOM 457 CG LYS A 60 2.345 4.628 24.753 1.00 66.09 C ATOM 458 CD LYS A 60 1.306 3.904 23.914 1.00 68.62 C ATOM 459 CE LYS A 60 0.709 2.750 24.711 1.00 71.55 C ATOM 460 NZ LYS A 60 -0.366 2.024 23.980 1.00 73.76 N ATOM 461 N TRP A 61 4.731 4.685 26.602 1.00 72.16 N ATOM 462 CA TRP A 61 5.452 3.637 27.311 1.00 78.25 C ATOM 463 C TRP A 61 4.825 2.339 26.821 1.00 82.68 C ATOM 464 O TRP A 61 3.714 1.981 27.218 1.00 84.57 O ATOM 465 CB TRP A 61 5.283 3.793 28.826 1.00 79.33 C ATOM 466 CG TRP A 61 6.368 3.135 29.680 1.00 81.01 C ATOM 467 CD1 TRP A 61 6.320 1.897 30.256 1.00 81.39 C ATOM 468 CD2 TRP A 61 7.613 3.720 30.101 1.00 81.34 C ATOM 469 NE1 TRP A 61 7.446 1.679 31.013 1.00 81.61 N ATOM 470 CE2 TRP A 61 8.261 2.784 30.936 1.00 81.55 C ATOM 471 CE3 TRP A 61 8.249 4.947 29.863 1.00 81.12 C ATOM 472 CZ2 TRP A 61 9.502 3.034 31.530 1.00 81.57 C ATOM 473 CZ3 TRP A 61 9.486 5.197 30.456 1.00 80.43 C ATOM 474 CH2 TRP A 61 10.094 4.245 31.277 1.00 80.65 C ATOM 475 N GLU A 62 5.482 1.715 25.850 1.00 87.43 N ATOM 476 CA GLU A 62 4.998 0.464 25.290 1.00 92.17 C ATOM 477 C GLU A 62 5.602 -0.723 26.030 1.00 94.96 C ATOM 478 O GLU A 62 4.879 -1.594 26.526 1.00 96.74 O ATOM 479 CB GLU A 62 5.345 0.360 23.805 1.00 92.18 C ATOM 480 CG GLU A 62 4.340 0.997 22.868 1.00 93.29 C ATOM 481 CD GLU A 62 4.461 0.477 21.455 1.00 94.04 C ATOM 482 OE1 GLU A 62 5.599 0.203 21.013 1.00 94.15 O ATOM 483 OE2 GLU A 62 3.411 0.328 20.792 1.00 95.58 O ATOM 484 N ASN A 63 6.931 -0.755 26.084 1.00 96.39 N ATOM 485 CA ASN A 63 7.655 -1.841 26.744 1.00 97.22 C ATOM 486 C ASN A 63 8.024 -1.433 28.177 1.00 95.55 C ATOM 487 O ASN A 63 7.229 -1.550 29.112 1.00 95.48 O ATOM 488 CB ASN A 63 8.928 -2.173 25.948 1.00 99.69 C ATOM 489 CG ASN A 63 8.686 -3.171 24.819 1.00101.17 C ATOM 490 OD1 ASN A 63 7.556 -3.510 24.494 1.00102.75 O ATOM 491 ND2 ASN A 63 9.771 -3.645 24.216 1.00101.22 N ATOM 492 N ASP A 64 9.260 -0.968 28.324 1.00 93.72 N ATOM 493 CA ASP A 64 9.792 -0.491 29.594 1.00 91.17 C ATOM 494 C ASP A 64 10.797 0.557 29.147 1.00 88.31 C ATOM 495 O ASP A 64 11.872 0.739 29.727 1.00 87.22 O ATOM 496 CB ASP A 64 10.465 -1.629 30.367 1.00 92.08 C ATOM 497 CG ASP A 64 10.250 -1.510 31.863 1.00 92.80 C ATOM 498 OD1 ASP A 64 9.191 -1.964 32.353 1.00 92.86 O ATOM 499 OD2 ASP A 64 11.132 -0.942 32.539 1.00 93.24 O ATOM 500 N GLU A 65 10.411 1.228 28.067 1.00 85.15 N ATOM 501 CA GLU A 65 11.190 2.264 27.424 1.00 81.62 C ATOM 502 C GLU A 65 10.212 3.270 26.845 1.00 76.79 C ATOM 503 O GLU A 65 9.068 2.931 26.520 1.00 73.87 O ATOM 504 CB GLU A 65 11.994 1.662 26.278 1.00 84.62 C ATOM 505 CG GLU A 65 11.098 1.065 25.199 1.00 88.06 C ATOM 506 CD GLU A 65 11.845 0.159 24.249 1.00 90.77 C ATOM 507 OE1 GLU A 65 12.224 -0.963 24.663 1.00 92.03 O ATOM 508 OE2 GLU A 65 12.040 0.568 23.084 1.00 92.87 O ATOM 509 N CYS A 66 10.678 4.503 26.708 1.00 71.61 N ATOM 510 CA CYS A 66 9.885 5.580 26.155 1.00 67.05 C ATOM 511 C CYS A 66 10.009 5.493 24.643 1.00 65.40 C ATOM 512 O CYS A 66 10.894 6.101 24.034 1.00 64.44 O ATOM 513 CB CYS A 66 10.414 6.918 26.660 1.00 66.00 C ATOM 514 SG CYS A 66 9.336 8.338 26.306 1.00 65.03 S ATOM 515 N ALA A 67 9.160 4.665 24.057 1.00 63.83 N ATOM 516 CA ALA A 67 9.157 4.460 22.623 1.00 64.81 C ATOM 517 C ALA A 67 8.530 5.626 21.871 1.00 65.81 C ATOM 518 O ALA A 67 7.577 6.241 22.349 1.00 66.82 O ATOM 519 CB ALA A 67 8.415 3.178 22.304 1.00 66.09 C ATOM 520 N GLN A 68 9.093 5.957 20.711 1.00 66.63 N ATOM 521 CA GLN A 68 8.551 7.024 19.877 1.00 67.87 C ATOM 522 C GLN A 68 7.725 6.430 18.742 1.00 68.05 C ATOM 523 O GLN A 68 8.208 5.567 18.003 1.00 69.33 O ATOM 524 CB GLN A 68 9.655 7.908 19.300 1.00 69.95 C ATOM 525 CG GLN A 68 9.864 9.179 20.088 1.00 75.76 C ATOM 526 CD GLN A 68 10.474 10.285 19.256 1.00 79.12 C ATOM 527 OE1 GLN A 68 11.570 10.769 19.555 1.00 81.65 O ATOM 528 NE2 GLN A 68 9.762 10.705 18.209 1.00 79.98 N ATOM 529 N LYS A 69 6.474 6.872 18.626 1.00 65.73 N ATOM 530 CA LYS A 69 5.587 6.395 17.579 1.00 62.57 C ATOM 531 C LYS A 69 5.178 7.559 16.690 1.00 61.56 C ATOM 532 O LYS A 69 5.272 8.715 17.092 1.00 59.49 O ATOM 533 CB LYS A 69 4.365 5.693 18.181 1.00 62.32 C ATOM 534 CG LYS A 69 4.706 4.389 18.915 1.00 64.82 C ATOM 535 CD LYS A 69 3.479 3.529 19.262 1.00 66.14 C ATOM 536 CE LYS A 69 2.826 2.923 18.014 1.00 67.50 C ATOM 537 NZ LYS A 69 1.685 1.986 18.312 1.00 68.01 N ATOM 538 N LYS A 70 4.769 7.247 15.463 1.00 63.93 N ATOM 539 CA LYS A 70 4.347 8.256 14.485 1.00 65.02 C ATOM 540 C LYS A 70 2.984 7.879 13.897 1.00 64.60 C ATOM 541 O LYS A 70 2.854 6.910 13.139 1.00 64.71 O ATOM 542 CB LYS A 70 5.398 8.379 13.371 1.00 66.27 C ATOM 543 CG LYS A 70 5.226 9.566 12.424 1.00 66.89 C ATOM 544 CD LYS A 70 6.493 9.759 11.581 1.00 68.19 C ATOM 545 CE LYS A 70 6.400 10.968 10.670 1.00 67.81 C ATOM 546 NZ LYS A 70 7.690 11.227 9.979 1.00 67.95 N ATOM 547 N ILE A 71 1.957 8.603 14.319 1.00 63.81 N ATOM 548 CA ILE A 71 0.605 8.365 13.844 1.00 63.00 C ATOM 549 C ILE A 71 0.294 9.407 12.792 1.00 60.74 C ATOM 550 O ILE A 71 0.822 10.509 12.850 1.00 58.95 O ATOM 551 CB ILE A 71 -0.428 8.541 14.984 1.00 65.08 C ATOM 552 CG1 ILE A 71 -0.126 7.588 16.137 1.00 66.59 C ATOM 553 CG2 ILE A 71 -1.845 8.289 14.475 1.00 66.37 C ATOM 554 CD1 ILE A 71 -1.147 7.676 17.268 1.00 68.16 C ATOM 555 N ILE A 72 -0.522 9.048 11.808 1.00 59.66 N ATOM 556 CA ILE A 72 -0.937 9.997 10.779 1.00 57.99 C ATOM 557 C ILE A 72 -2.469 10.100 10.755 1.00 54.68 C ATOM 558 O ILE A 72 -3.185 9.094 10.686 1.00 52.42 O ATOM 559 CB ILE A 72 -0.353 9.660 9.381 1.00 60.15 C ATOM 560 CG1 ILE A 72 -0.601 10.824 8.423 1.00 61.31 C ATOM 561 CG2 ILE A 72 -0.946 8.373 8.832 1.00 61.19 C ATOM 562 CD1 ILE A 72 0.191 10.738 7.138 1.00 64.92 C ATOM 563 N ALA A 73 -2.959 11.314 10.950 1.00 51.19 N ATOM 564 CA ALA A 73 -4.387 11.568 10.967 1.00 51.61 C ATOM 565 C ALA A 73 -4.788 12.216 9.648 1.00 52.39 C ATOM 566 O ALA A 73 -4.341 13.318 9.311 1.00 50.75 O ATOM 567 CB ALA A 73 -4.752 12.461 12.147 1.00 49.61 C ATOM 568 N GLU A 74 -5.595 11.490 8.883 1.00 53.65 N ATOM 569 CA GLU A 74 -6.073 11.941 7.579 1.00 53.75 C ATOM 570 C GLU A 74 -7.234 12.905 7.742 1.00 50.27 C ATOM 571 O GLU A 74 -8.099 12.704 8.590 1.00 49.99 O ATOM 572 CB GLU A 74 -6.504 10.729 6.749 1.00 58.13 C ATOM 573 CG GLU A 74 -5.389 9.703 6.532 1.00 63.02 C ATOM 574 CD GLU A 74 -5.883 8.265 6.627 1.00 65.84 C ATOM 575 OE1 GLU A 74 -6.661 7.841 5.737 1.00 67.43 O ATOM 576 OE2 GLU A 74 -5.489 7.563 7.595 1.00 67.08 O ATOM 577 N LYS A 75 -7.242 13.963 6.946 1.00 48.96 N ATOM 578 CA LYS A 75 -8.314 14.938 7.024 1.00 51.64 C ATOM 579 C LYS A 75 -9.633 14.380 6.504 1.00 50.98 C ATOM 580 O LYS A 75 -9.637 13.414 5.742 1.00 51.72 O ATOM 581 CB LYS A 75 -7.943 16.217 6.264 1.00 56.03 C ATOM 582 CG LYS A 75 -7.895 16.135 4.724 1.00 60.25 C ATOM 583 CD LYS A 75 -8.107 17.546 4.146 1.00 62.83 C ATOM 584 CE LYS A 75 -7.846 17.655 2.654 1.00 65.18 C ATOM 585 NZ LYS A 75 -8.311 18.986 2.133 1.00 67.17 N ATOM 586 N THR A 76 -10.747 14.958 6.950 1.00 49.42 N ATOM 587 CA THR A 76 -12.068 14.534 6.493 1.00 47.34 C ATOM 588 C THR A 76 -12.784 15.752 5.917 1.00 48.30 C ATOM 589 O THR A 76 -12.169 16.811 5.741 1.00 46.12 O ATOM 590 CB THR A 76 -12.917 13.952 7.631 1.00 46.07 C ATOM 591 OG1 THR A 76 -13.252 14.994 8.554 1.00 46.34 O ATOM 592 CG2 THR A 76 -12.171 12.849 8.346 1.00 43.39 C ATOM 593 N LYS A 77 -14.078 15.605 5.626 1.00 50.05 N ATOM 594 CA LYS A 77 -14.864 16.704 5.069 1.00 50.40 C ATOM 595 C LYS A 77 -14.886 17.908 6.005 1.00 48.23 C ATOM 596 O LYS A 77 -14.931 19.046 5.544 1.00 48.43 O ATOM 597 CB LYS A 77 -16.290 16.246 4.727 1.00 57.17 C ATOM 598 CG LYS A 77 -16.454 15.745 3.276 1.00 64.37 C ATOM 599 CD LYS A 77 -17.856 15.163 2.987 1.00 69.01 C ATOM 600 CE LYS A 77 -18.115 14.978 1.472 1.00 71.13 C ATOM 601 NZ LYS A 77 -19.427 14.307 1.155 1.00 70.81 N ATOM 602 N ILE A 78 -14.867 17.651 7.314 1.00 44.59 N ATOM 603 CA ILE A 78 -14.868 18.713 8.326 1.00 40.51 C ATOM 604 C ILE A 78 -13.406 19.081 8.626 1.00 38.36 C ATOM 605 O ILE A 78 -12.640 18.246 9.078 1.00 40.48 O ATOM 606 CB ILE A 78 -15.568 18.246 9.646 1.00 40.31 C ATOM 607 CG1 ILE A 78 -17.014 17.807 9.386 1.00 38.86 C ATOM 608 CG2 ILE A 78 -15.598 19.372 10.657 1.00 40.00 C ATOM 609 CD1 ILE A 78 -17.172 16.367 8.942 1.00 42.54 C ATOM 610 N PRO A 79 -13.024 20.353 8.455 1.00 35.47 N ATOM 611 CA PRO A 79 -11.642 20.774 8.708 1.00 36.18 C ATOM 612 C PRO A 79 -11.072 20.601 10.110 1.00 35.89 C ATOM 613 O PRO A 79 -9.861 20.683 10.288 1.00 38.92 O ATOM 614 CB PRO A 79 -11.635 22.237 8.258 1.00 34.97 C ATOM 615 CG PRO A 79 -13.022 22.676 8.483 1.00 34.97 C ATOM 616 CD PRO A 79 -13.839 21.491 8.005 1.00 35.04 C ATOM 617 N ALA A 80 -11.913 20.380 11.112 1.00 34.89 N ATOM 618 CA ALA A 80 -11.407 20.208 12.474 1.00 32.22 C ATOM 619 C ALA A 80 -11.385 18.763 12.942 1.00 30.69 C ATOM 620 O ALA A 80 -10.843 18.463 13.996 1.00 33.25 O ATOM 621 CB ALA A 80 -12.174 21.069 13.452 1.00 31.46 C ATOM 622 N VAL A 81 -11.977 17.871 12.163 1.00 29.50 N ATOM 623 CA VAL A 81 -12.009 16.460 12.508 1.00 27.65 C ATOM 624 C VAL A 81 -11.101 15.653 11.607 1.00 32.68 C ATOM 625 O VAL A 81 -11.066 15.888 10.404 1.00 36.06 O ATOM 626 CB VAL A 81 -13.410 15.922 12.396 1.00 24.97 C ATOM 627 CG1 VAL A 81 -13.427 14.441 12.686 1.00 26.57 C ATOM 628 CG2 VAL A 81 -14.300 16.672 13.355 1.00 26.55 C ATOM 629 N PHE A 82 -10.378 14.697 12.179 1.00 33.50 N ATOM 630 CA PHE A 82 -9.459 13.866 11.417 1.00 33.59 C ATOM 631 C PHE A 82 -9.680 12.413 11.764 1.00 40.04 C ATOM 632 O PHE A 82 -10.264 12.103 12.802 1.00 42.00 O ATOM 633 CB PHE A 82 -8.017 14.247 11.714 1.00 32.72 C ATOM 634 CG PHE A 82 -7.687 15.679 11.392 1.00 31.44 C ATOM 635 CD1 PHE A 82 -8.128 16.714 12.213 1.00 32.13 C ATOM 636 CD2 PHE A 82 -6.919 15.988 10.277 1.00 30.97 C ATOM 637 CE1 PHE A 82 -7.807 18.035 11.925 1.00 31.80 C ATOM 638 CE2 PHE A 82 -6.595 17.308 9.982 1.00 29.72 C ATOM 639 CZ PHE A 82 -7.039 18.331 10.807 1.00 32.17 C ATOM 640 N LYS A 83 -9.174 11.526 10.915 1.00 46.00 N ATOM 641 CA LYS A 83 -9.336 10.088 11.096 1.00 52.35 C ATOM 642 C LYS A 83 -8.024 9.346 11.276 1.00 55.11 C ATOM 643 O LYS A 83 -7.047 9.624 10.584 1.00 53.77 O ATOM 644 CB LYS A 83 -10.077 9.493 9.886 1.00 56.42 C ATOM 645 CG LYS A 83 -11.518 9.051 10.165 1.00 62.09 C ATOM 646 CD LYS A 83 -12.307 8.788 8.881 1.00 64.40 C ATOM 647 CE LYS A 83 -13.669 8.152 9.179 1.00 66.78 C ATOM 648 NZ LYS A 83 -14.505 8.035 7.946 1.00 67.37 N ATOM 649 N ILE A 84 -8.012 8.417 12.225 1.00 59.47 N ATOM 650 CA ILE A 84 -6.849 7.576 12.485 1.00 65.77 C ATOM 651 C ILE A 84 -7.333 6.159 12.158 1.00 69.80 C ATOM 652 O ILE A 84 -8.425 5.766 12.572 1.00 68.07 O ATOM 653 CB ILE A 84 -6.366 7.697 13.956 1.00 65.91 C ATOM 654 CG1 ILE A 84 -5.808 9.099 14.213 1.00 63.68 C ATOM 655 CG2 ILE A 84 -5.280 6.665 14.246 1.00 67.54 C ATOM 656 CD1 ILE A 84 -5.251 9.275 15.612 1.00 64.27 C ATOM 657 N ASP A 85 -6.544 5.427 11.373 1.00 76.98 N ATOM 658 CA ASP A 85 -6.887 4.074 10.911 1.00 83.47 C ATOM 659 C ASP A 85 -6.608 2.884 11.842 1.00 86.01 C ATOM 660 O ASP A 85 -5.653 2.911 12.621 1.00 84.56 O ATOM 661 CB ASP A 85 -6.219 3.841 9.544 1.00 84.83 C ATOM 662 CG ASP A 85 -6.606 2.513 8.909 1.00 86.76 C ATOM 663 OD1 ASP A 85 -7.817 2.268 8.699 1.00 87.66 O ATOM 664 OD2 ASP A 85 -5.690 1.720 8.596 1.00 88.32 O ATOM 665 N ALA A 86 -7.444 1.842 11.702 1.00 90.19 N ATOM 666 CA ALA A 86 -7.379 0.562 12.453 1.00 92.90 C ATOM 667 C ALA A 86 -8.718 -0.214 12.425 1.00 93.40 C ATOM 668 O ALA A 86 -9.494 -0.100 11.472 1.00 93.56 O ATOM 669 CB ALA A 86 -6.933 0.791 13.913 1.00 93.13 C ATOM 670 N LEU A 87 -8.912 -1.094 13.410 1.00 94.08 N ATOM 671 CA LEU A 87 -10.162 -1.849 13.560 1.00 94.17 C ATOM 672 C LEU A 87 -11.048 -0.885 14.357 1.00 94.08 C ATOM 673 O LEU A 87 -12.281 -0.971 14.359 1.00 93.45 O ATOM 674 CB LEU A 87 -9.922 -3.142 14.353 1.00 94.69 C ATOM 675 CG LEU A 87 -9.392 -3.061 15.794 1.00 95.04 C ATOM 676 CD1 LEU A 87 -10.543 -2.935 16.791 1.00 94.53 C ATOM 677 CD2 LEU A 87 -8.585 -4.315 16.112 1.00 95.11 C ATOM 678 N ASN A 88 -10.362 -0.005 15.085 1.00 94.09 N ATOM 679 CA ASN A 88 -10.965 1.040 15.895 1.00 93.48 C ATOM 680 C ASN A 88 -11.139 2.274 14.993 1.00 91.85 C ATOM 681 O ASN A 88 -10.156 2.793 14.453 1.00 91.56 O ATOM 682 CB ASN A 88 -10.081 1.381 17.128 1.00 94.91 C ATOM 683 CG ASN A 88 -8.641 0.819 17.035 1.00 95.61 C ATOM 684 OD1 ASN A 88 -8.417 -0.381 17.205 1.00 95.52 O ATOM 685 ND2 ASN A 88 -7.669 1.692 16.793 1.00 95.34 N ATOM 686 N GLU A 89 -12.385 2.714 14.816 1.00 88.86 N ATOM 687 CA GLU A 89 -12.721 3.871 13.976 1.00 85.07 C ATOM 688 C GLU A 89 -12.593 5.188 14.747 1.00 78.97 C ATOM 689 O GLU A 89 -13.589 5.879 14.993 1.00 78.07 O ATOM 690 CB GLU A 89 -14.150 3.715 13.457 1.00 89.68 C ATOM 691 CG GLU A 89 -14.280 3.799 11.947 1.00 95.44 C ATOM 692 CD GLU A 89 -15.606 3.249 11.445 1.00 98.66 C ATOM 693 OE1 GLU A 89 -16.096 2.245 12.015 1.00100.09 O ATOM 694 OE2 GLU A 89 -16.155 3.816 10.473 1.00100.84 O ATOM 695 N ASN A 90 -11.359 5.539 15.092 1.00 70.99 N ATOM 696 CA ASN A 90 -11.067 6.737 15.868 1.00 62.82 C ATOM 697 C ASN A 90 -11.034 8.055 15.100 1.00 58.24 C ATOM 698 O ASN A 90 -10.422 8.159 14.036 1.00 56.75 O ATOM 699 CB ASN A 90 -9.734 6.561 16.608 1.00 62.65 C ATOM 700 CG ASN A 90 -9.718 5.344 17.514 1.00 61.70 C ATOM 701 OD1 ASN A 90 -10.585 5.180 18.369 1.00 63.81 O ATOM 702 ND2 ASN A 90 -8.717 4.492 17.344 1.00 61.82 N ATOM 703 N LYS A 91 -11.671 9.068 15.681 1.00 52.63 N ATOM 704 CA LYS A 91 -11.712 10.414 15.121 1.00 47.05 C ATOM 705 C LYS A 91 -10.903 11.290 16.057 1.00 42.70 C ATOM 706 O LYS A 91 -10.768 10.964 17.236 1.00 41.62 O ATOM 707 CB LYS A 91 -13.147 10.937 15.100 1.00 50.15 C ATOM 708 CG LYS A 91 -13.958 10.470 13.923 1.00 56.71 C ATOM 709 CD LYS A 91 -15.459 10.609 14.159 1.00 62.20 C ATOM 710 CE LYS A 91 -16.254 10.194 12.906 1.00 65.76 C ATOM 711 NZ LYS A 91 -17.712 9.965 13.168 1.00 67.61 N ATOM 712 N VAL A 92 -10.322 12.360 15.529 1.00 37.82 N ATOM 713 CA VAL A 92 -9.567 13.311 16.340 1.00 32.11 C ATOM 714 C VAL A 92 -10.304 14.605 16.136 1.00 30.94 C ATOM 715 O VAL A 92 -10.659 14.921 15.011 1.00 33.29 O ATOM 716 CB VAL A 92 -8.119 13.502 15.859 1.00 29.71 C ATOM 717 CG1 VAL A 92 -7.518 14.700 16.517 1.00 25.39 C ATOM 718 CG2 VAL A 92 -7.295 12.298 16.199 1.00 30.94 C ATOM 719 N LEU A 93 -10.540 15.349 17.207 1.00 29.90 N ATOM 720 CA LEU A 93 -11.258 16.610 17.110 1.00 29.62 C ATOM 721 C LEU A 93 -10.476 17.746 17.724 1.00 30.38 C ATOM 722 O LEU A 93 -9.917 17.590 18.801 1.00 36.91 O ATOM 723 CB LEU A 93 -12.598 16.507 17.836 1.00 31.05 C ATOM 724 CG LEU A 93 -13.564 15.382 17.469 1.00 32.91 C ATOM 725 CD1 LEU A 93 -13.152 14.076 18.113 1.00 33.23 C ATOM 726 CD2 LEU A 93 -14.949 15.773 17.948 1.00 35.31 C ATOM 727 N VAL A 94 -10.416 18.885 17.049 1.00 29.21 N ATOM 728 CA VAL A 94 -9.725 20.036 17.600 1.00 27.03 C ATOM 729 C VAL A 94 -10.843 20.918 18.107 1.00 27.80 C ATOM 730 O VAL A 94 -11.678 21.388 17.331 1.00 28.32 O ATOM 731 CB VAL A 94 -8.891 20.808 16.540 1.00 27.93 C ATOM 732 CG1 VAL A 94 -8.137 21.971 17.210 1.00 24.64 C ATOM 733 CG2 VAL A 94 -7.920 19.871 15.844 1.00 26.21 C ATOM 734 N LEU A 95 -10.867 21.137 19.411 1.00 27.29 N ATOM 735 CA LEU A 95 -11.910 21.942 20.008 1.00 26.81 C ATOM 736 C LEU A 95 -11.640 23.421 19.957 1.00 25.96 C ATOM 737 O LEU A 95 -12.536 24.218 19.692 1.00 27.58 O ATOM 738 CB LEU A 95 -12.123 21.545 21.468 1.00 25.46 C ATOM 739 CG LEU A 95 -12.173 20.067 21.826 1.00 25.36 C ATOM 740 CD1 LEU A 95 -12.734 19.967 23.219 1.00 27.56 C ATOM 741 CD2 LEU A 95 -13.014 19.281 20.855 1.00 24.27 C ATOM 742 N ASP A 96 -10.398 23.791 20.203 1.00 26.95 N ATOM 743 CA ASP A 96 -10.054 25.198 20.242 1.00 27.42 C ATOM 744 C ASP A 96 -8.542 25.325 20.143 1.00 28.94 C ATOM 745 O ASP A 96 -7.834 24.372 20.421 1.00 30.83 O ATOM 746 CB ASP A 96 -10.545 25.741 21.586 1.00 29.18 C ATOM 747 CG ASP A 96 -10.466 27.241 21.681 1.00 31.62 C ATOM 748 OD1 ASP A 96 -10.402 27.923 20.644 1.00 35.39 O ATOM 749 OD2 ASP A 96 -10.501 27.743 22.818 1.00 34.63 O ATOM 750 N THR A 97 -8.058 26.490 19.732 1.00 31.19 N ATOM 751 CA THR A 97 -6.625 26.742 19.619 1.00 31.23 C ATOM 752 C THR A 97 -6.383 28.159 19.156 1.00 36.26 C ATOM 753 O THR A 97 -7.126 28.663 18.315 1.00 39.11 O ATOM 754 CB THR A 97 -5.928 25.827 18.578 1.00 32.95 C ATOM 755 OG1 THR A 97 -4.521 26.076 18.618 1.00 33.65 O ATOM 756 CG2 THR A 97 -6.400 26.145 17.153 1.00 32.13 C ATOM 757 N ASP A 98 -5.371 28.815 19.727 1.00 38.54 N ATOM 758 CA ASP A 98 -5.003 30.167 19.306 1.00 37.67 C ATOM 759 C ASP A 98 -3.700 30.082 18.484 1.00 36.53 C ATOM 760 O ASP A 98 -3.137 31.089 18.055 1.00 36.88 O ATOM 761 CB ASP A 98 -4.905 31.144 20.495 1.00 37.25 C ATOM 762 CG ASP A 98 -3.793 30.802 21.474 1.00 38.66 C ATOM 763 OD1 ASP A 98 -3.191 29.715 21.387 1.00 38.97 O ATOM 764 OD2 ASP A 98 -3.528 31.636 22.362 1.00 39.74 O ATOM 765 N TYR A 99 -3.274 28.842 18.246 1.00 37.19 N ATOM 766 CA TYR A 99 -2.079 28.516 17.470 1.00 38.06 C ATOM 767 C TYR A 99 -0.746 28.849 18.131 1.00 40.43 C ATOM 768 O TYR A 99 0.204 28.076 18.020 1.00 39.11 O ATOM 769 CB TYR A 99 -2.151 29.159 16.100 1.00 39.20 C ATOM 770 CG TYR A 99 -3.412 28.837 15.349 1.00 40.10 C ATOM 771 CD1 TYR A 99 -3.630 27.561 14.830 1.00 42.06 C ATOM 772 CD2 TYR A 99 -4.368 29.818 15.109 1.00 39.71 C ATOM 773 CE1 TYR A 99 -4.775 27.278 14.073 1.00 43.32 C ATOM 774 CE2 TYR A 99 -5.513 29.546 14.360 1.00 40.82 C ATOM 775 CZ TYR A 99 -5.710 28.280 13.838 1.00 42.77 C ATOM 776 OH TYR A 99 -6.801 28.032 13.035 1.00 46.08 O ATOM 777 N LYS A 100 -0.704 29.978 18.843 1.00 43.06 N ATOM 778 CA LYS A 100 0.493 30.460 19.543 1.00 45.40 C ATOM 779 C LYS A 100 0.726 29.899 20.964 1.00 46.47 C ATOM 780 O LYS A 100 1.873 29.704 21.367 1.00 46.89 O ATOM 781 CB LYS A 100 0.468 31.990 19.606 1.00 49.37 C ATOM 782 CG LYS A 100 -0.619 32.579 20.516 1.00 52.87 C ATOM 783 CD LYS A 100 -0.628 34.114 20.474 1.00 58.14 C ATOM 784 CE LYS A 100 -1.536 34.717 21.553 1.00 61.25 C ATOM 785 NZ LYS A 100 -2.989 34.523 21.284 1.00 63.96 N ATOM 786 N LYS A 101 -0.345 29.677 21.730 1.00 45.71 N ATOM 787 CA LYS A 101 -0.225 29.163 23.097 1.00 44.79 C ATOM 788 C LYS A 101 -0.691 27.720 23.358 1.00 44.50 C ATOM 789 O LYS A 101 0.085 26.889 23.837 1.00 47.07 O ATOM 790 CB LYS A 101 -0.981 30.042 24.089 1.00 49.24 C ATOM 791 CG LYS A 101 -0.482 31.455 24.319 1.00 53.82 C ATOM 792 CD LYS A 101 -0.915 31.911 25.731 1.00 57.94 C ATOM 793 CE LYS A 101 -1.133 33.425 25.886 1.00 59.98 C ATOM 794 NZ LYS A 101 -2.503 33.840 25.455 1.00 61.93 N ATOM 795 N TYR A 102 -1.969 27.440 23.092 1.00 40.29 N ATOM 796 CA TYR A 102 -2.546 26.117 23.366 1.00 34.71 C ATOM 797 C TYR A 102 -3.358 25.496 22.229 1.00 31.06 C ATOM 798 O TYR A 102 -3.637 26.132 21.226 1.00 32.44 O ATOM 799 CB TYR A 102 -3.457 26.214 24.596 1.00 34.10 C ATOM 800 CG TYR A 102 -4.696 27.042 24.329 1.00 33.17 C ATOM 801 CD1 TYR A 102 -4.650 28.427 24.383 1.00 33.28 C ATOM 802 CD2 TYR A 102 -5.882 26.442 23.919 1.00 34.14 C ATOM 803 CE1 TYR A 102 -5.749 29.197 24.025 1.00 33.06 C ATOM 804 CE2 TYR A 102 -6.983 27.206 23.559 1.00 33.54 C ATOM 805 CZ TYR A 102 -6.908 28.582 23.609 1.00 33.60 C ATOM 806 OH TYR A 102 -7.974 29.348 23.216 1.00 33.73 O ATOM 807 N LEU A 103 -3.802 24.269 22.456 1.00 28.64 N ATOM 808 CA LEU A 103 -4.616 23.515 21.518 1.00 27.16 C ATOM 809 C LEU A 103 -5.332 22.472 22.350 1.00 25.96 C ATOM 810 O LEU A 103 -4.695 21.743 23.110 1.00 28.00 O ATOM 811 CB LEU A 103 -3.747 22.811 20.466 1.00 28.30 C ATOM 812 CG LEU A 103 -4.441 22.000 19.346 1.00 30.42 C ATOM 813 CD1 LEU A 103 -3.762 22.285 18.014 1.00 30.22 C ATOM 814 CD2 LEU A 103 -4.429 20.494 19.611 1.00 29.61 C ATOM 815 N LEU A 104 -6.654 22.443 22.265 1.00 26.00 N ATOM 816 CA LEU A 104 -7.454 21.470 22.998 1.00 26.11 C ATOM 817 C LEU A 104 -7.992 20.473 21.973 1.00 28.23 C ATOM 818 O LEU A 104 -8.534 20.884 20.936 1.00 31.92 O ATOM 819 CB LEU A 104 -8.632 22.160 23.680 1.00 25.20 C ATOM 820 CG LEU A 104 -8.374 23.452 24.454 1.00 25.11 C ATOM 821 CD1 LEU A 104 -9.694 24.041 24.914 1.00 25.42 C ATOM 822 CD2 LEU A 104 -7.486 23.187 25.625 1.00 22.52 C ATOM 823 N PHE A 105 -7.823 19.178 22.232 1.00 27.03 N ATOM 824 CA PHE A 105 -8.320 18.163 21.314 1.00 25.22 C ATOM 825 C PHE A 105 -8.760 16.930 22.087 1.00 22.35 C ATOM 826 O PHE A 105 -8.329 16.710 23.211 1.00 22.39 O ATOM 827 CB PHE A 105 -7.272 17.809 20.238 1.00 26.87 C ATOM 828 CG PHE A 105 -6.282 16.754 20.663 1.00 28.05 C ATOM 829 CD1 PHE A 105 -6.568 15.396 20.481 1.00 30.24 C ATOM 830 CD2 PHE A 105 -5.083 17.111 21.286 1.00 28.30 C ATOM 831 CE1 PHE A 105 -5.674 14.409 20.923 1.00 31.40 C ATOM 832 CE2 PHE A 105 -4.183 16.129 21.733 1.00 27.76 C ATOM 833 CZ PHE A 105 -4.479 14.785 21.553 1.00 29.72 C ATOM 834 N CYS A 106 -9.654 16.161 21.480 1.00 24.56 N ATOM 835 CA CYS A 106 -10.191 14.935 22.056 1.00 27.64 C ATOM 836 C CYS A 106 -10.107 13.841 21.018 1.00 30.07 C ATOM 837 O CYS A 106 -10.021 14.118 19.828 1.00 33.35 O ATOM 838 CB CYS A 106 -11.660 15.103 22.426 1.00 24.69 C ATOM 839 SG CYS A 106 -11.982 16.219 23.813 1.00 30.89 S ATOM 840 N MET A 107 -10.192 12.600 21.471 1.00 34.73 N ATOM 841 CA MET A 107 -10.138 11.456 20.593 1.00 39.79 C ATOM 842 C MET A 107 -11.245 10.525 21.045 1.00 40.90 C ATOM 843 O MET A 107 -11.483 10.379 22.242 1.00 39.35 O ATOM 844 CB MET A 107 -8.779 10.786 20.710 1.00 47.47 C ATOM 845 CG MET A 107 -8.495 9.798 19.604 1.00 58.51 C ATOM 846 SD MET A 107 -6.816 9.133 19.704 1.00 69.98 S ATOM 847 CE MET A 107 -7.101 7.448 19.162 1.00 68.05 C ATOM 848 N GLU A 108 -11.950 9.931 20.092 1.00 44.80 N ATOM 849 CA GLU A 108 -13.055 9.042 20.414 1.00 49.03 C ATOM 850 C GLU A 108 -13.253 8.003 19.339 1.00 51.76 C ATOM 851 O GLU A 108 -13.057 8.272 18.156 1.00 51.10 O ATOM 852 CB GLU A 108 -14.353 9.836 20.521 1.00 49.57 C ATOM 853 CG GLU A 108 -14.711 10.563 19.225 1.00 50.83 C ATOM 854 CD GLU A 108 -16.171 10.961 19.132 1.00 51.68 C ATOM 855 OE1 GLU A 108 -16.555 12.001 19.712 1.00 51.69 O ATOM 856 OE2 GLU A 108 -16.929 10.240 18.454 1.00 53.17 O ATOM 857 N ASN A 109 -13.601 6.799 19.762 1.00 58.24 N ATOM 858 CA ASN A 109 -13.886 5.726 18.824 1.00 64.75 C ATOM 859 C ASN A 109 -15.332 6.003 18.448 1.00 68.70 C ATOM 860 O ASN A 109 -16.169 6.189 19.329 1.00 70.09 O ATOM 861 CB ASN A 109 -13.758 4.361 19.515 1.00 65.80 C ATOM 862 CG ASN A 109 -14.255 3.209 18.648 1.00 67.27 C ATOM 863 OD1 ASN A 109 -14.366 3.330 17.428 1.00 68.13 O ATOM 864 ND2 ASN A 109 -14.580 2.084 19.283 1.00 68.04 N ATOM 865 N SER A 110 -15.615 6.089 17.156 1.00 73.28 N ATOM 866 CA SER A 110 -16.970 6.362 16.694 1.00 77.69 C ATOM 867 C SER A 110 -18.000 5.360 17.247 1.00 79.35 C ATOM 868 O SER A 110 -19.123 5.737 17.583 1.00 78.84 O ATOM 869 CB SER A 110 -17.003 6.380 15.164 1.00 79.24 C ATOM 870 OG SER A 110 -17.567 7.588 14.679 1.00 81.24 O ATOM 871 N ALA A 111 -17.603 4.093 17.357 1.00 81.56 N ATOM 872 CA ALA A 111 -18.481 3.038 17.860 1.00 83.76 C ATOM 873 C ALA A 111 -18.689 3.090 19.381 1.00 85.55 C ATOM 874 O ALA A 111 -19.813 2.933 19.857 1.00 87.12 O ATOM 875 CB ALA A 111 -17.948 1.682 17.451 1.00 83.71 C ATOM 876 N GLU A 112 -17.596 3.212 20.137 1.00 86.84 N ATOM 877 CA GLU A 112 -17.657 3.303 21.601 1.00 86.96 C ATOM 878 C GLU A 112 -17.359 4.742 22.012 1.00 87.48 C ATOM 879 O GLU A 112 -16.229 5.075 22.355 1.00 86.31 O ATOM 880 CB GLU A 112 -16.641 2.362 22.257 1.00 86.64 C ATOM 881 CG GLU A 112 -16.920 0.881 22.077 1.00 88.36 C ATOM 882 CD GLU A 112 -18.147 0.384 22.841 1.00 89.84 C ATOM 883 OE1 GLU A 112 -19.067 1.187 23.128 1.00 90.63 O ATOM 884 OE2 GLU A 112 -18.189 -0.829 23.153 1.00 90.01 O ATOM 885 N PRO A 113 -18.380 5.610 22.002 1.00 88.75 N ATOM 886 CA PRO A 113 -18.209 7.016 22.369 1.00 89.05 C ATOM 887 C PRO A 113 -17.754 7.182 23.815 1.00 89.33 C ATOM 888 O PRO A 113 -16.581 7.469 24.087 1.00 88.84 O ATOM 889 CB PRO A 113 -19.613 7.602 22.149 1.00 89.45 C ATOM 890 CG PRO A 113 -20.230 6.687 21.130 1.00 89.34 C ATOM 891 CD PRO A 113 -19.778 5.337 21.640 1.00 89.58 C ATOM 892 N GLU A 114 -18.690 6.971 24.737 1.00 89.35 N ATOM 893 CA GLU A 114 -18.416 7.111 26.161 1.00 89.40 C ATOM 894 C GLU A 114 -17.225 6.300 26.665 1.00 87.36 C ATOM 895 O GLU A 114 -16.589 6.687 27.642 1.00 89.12 O ATOM 896 CB GLU A 114 -19.654 6.755 26.993 1.00 91.93 C ATOM 897 CG GLU A 114 -20.546 7.946 27.367 1.00 95.96 C ATOM 898 CD GLU A 114 -21.427 7.683 28.597 1.00 97.89 C ATOM 899 OE1 GLU A 114 -21.817 6.518 28.832 1.00 99.80 O ATOM 900 OE2 GLU A 114 -21.732 8.648 29.332 1.00 97.97 O ATOM 901 N GLN A 115 -16.887 5.210 25.984 1.00 83.94 N ATOM 902 CA GLN A 115 -15.794 4.347 26.432 1.00 79.42 C ATOM 903 C GLN A 115 -14.429 4.596 25.806 1.00 74.23 C ATOM 904 O GLN A 115 -13.482 3.858 26.078 1.00 74.11 O ATOM 905 CB GLN A 115 -16.170 2.881 26.223 1.00 81.73 C ATOM 906 CG GLN A 115 -17.498 2.492 26.838 1.00 83.44 C ATOM 907 CD GLN A 115 -17.913 1.087 26.477 1.00 84.86 C ATOM 908 OE1 GLN A 115 -17.146 0.140 26.661 1.00 86.47 O ATOM 909 NE2 GLN A 115 -19.127 0.938 25.955 1.00 84.89 N ATOM 910 N SER A 116 -14.307 5.649 25.011 1.00 67.78 N ATOM 911 CA SER A 116 -13.035 5.898 24.357 1.00 63.86 C ATOM 912 C SER A 116 -12.598 7.351 24.344 1.00 58.23 C ATOM 913 O SER A 116 -11.525 7.679 23.841 1.00 59.55 O ATOM 914 CB SER A 116 -13.089 5.368 22.923 1.00 66.78 C ATOM 915 OG SER A 116 -13.580 4.035 22.883 1.00 69.92 O ATOM 916 N LEU A 117 -13.426 8.225 24.885 1.00 49.94 N ATOM 917 CA LEU A 117 -13.080 9.626 24.889 1.00 42.86 C ATOM 918 C LEU A 117 -11.830 9.931 25.715 1.00 39.96 C ATOM 919 O LEU A 117 -11.729 9.541 26.882 1.00 37.50 O ATOM 920 CB LEU A 117 -14.272 10.446 25.372 1.00 41.50 C ATOM 921 CG LEU A 117 -14.236 11.929 25.026 1.00 40.63 C ATOM 922 CD1 LEU A 117 -14.186 12.128 23.522 1.00 40.00 C ATOM 923 CD2 LEU A 117 -15.465 12.580 25.599 1.00 42.19 C ATOM 924 N VAL A 118 -10.861 10.587 25.079 1.00 37.42 N ATOM 925 CA VAL A 118 -9.615 11.011 25.713 1.00 34.44 C ATOM 926 C VAL A 118 -9.341 12.416 25.194 1.00 31.92 C ATOM 927 O VAL A 118 -9.391 12.647 23.999 1.00 32.18 O ATOM 928 CB VAL A 118 -8.433 10.111 25.334 1.00 35.38 C ATOM 929 CG1 VAL A 118 -7.136 10.700 25.874 1.00 34.88 C ATOM 930 CG2 VAL A 118 -8.640 8.723 25.893 1.00 37.14 C ATOM 931 N CYS A 119 -9.085 13.363 26.080 1.00 27.95 N ATOM 932 CA CYS A 119 -8.836 14.732 25.655 1.00 25.86 C ATOM 933 C CYS A 119 -7.551 15.247 26.286 1.00 25.96 C ATOM 934 O CYS A 119 -7.145 14.767 27.339 1.00 25.13 O ATOM 935 CB CYS A 119 -10.015 15.624 26.046 1.00 27.62 C ATOM 936 SG CYS A 119 -11.640 15.063 25.438 1.00 25.83 S ATOM 937 N GLN A 120 -6.913 16.216 25.636 1.00 25.74 N ATOM 938 CA GLN A 120 -5.660 16.768 26.136 1.00 24.30 C ATOM 939 C GLN A 120 -5.551 18.254 25.960 1.00 24.73 C ATOM 940 O GLN A 120 -6.194 18.841 25.096 1.00 24.24 O ATOM 941 CB GLN A 120 -4.480 16.188 25.386 1.00 27.30 C ATOM 942 CG GLN A 120 -4.238 14.721 25.549 1.00 29.56 C ATOM 943 CD GLN A 120 -2.826 14.348 25.166 1.00 30.83 C ATOM 944 OE1 GLN A 120 -2.491 13.169 25.064 1.00 34.73 O ATOM 945 NE2 GLN A 120 -1.975 15.353 24.979 1.00 28.83 N ATOM 946 N CYS A 121 -4.668 18.850 26.738 1.00 19.38 N ATOM 947 CA CYS A 121 -4.432 20.263 26.633 1.00 19.57 C ATOM 948 C CYS A 121 -2.995 20.377 26.213 1.00 25.43 C ATOM 949 O CYS A 121 -2.122 19.952 26.960 1.00 26.88 O ATOM 950 CB CYS A 121 -4.607 20.945 27.973 1.00 19.88 C ATOM 951 SG CYS A 121 -4.168 22.663 27.874 1.00 27.36 S ATOM 952 N LEU A 122 -2.757 20.834 24.986 1.00 26.31 N ATOM 953 CA LEU A 122 -1.404 21.007 24.481 1.00 20.69 C ATOM 954 C LEU A 122 -0.984 22.460 24.545 1.00 24.83 C ATOM 955 O LEU A 122 -1.750 23.345 24.195 1.00 28.20 O ATOM 956 CB LEU A 122 -1.305 20.573 23.029 1.00 22.09 C ATOM 957 CG LEU A 122 -1.724 19.185 22.574 1.00 21.67 C ATOM 958 CD1 LEU A 122 -1.190 18.980 21.168 1.00 19.18 C ATOM 959 CD2 LEU A 122 -1.195 18.128 23.494 1.00 20.03 C ATOM 960 N VAL A 123 0.239 22.705 24.980 1.00 27.89 N ATOM 961 CA VAL A 123 0.759 24.063 25.037 1.00 26.92 C ATOM 962 C VAL A 123 2.106 24.127 24.337 1.00 29.58 C ATOM 963 O VAL A 123 2.833 23.138 24.264 1.00 31.49 O ATOM 964 CB VAL A 123 0.928 24.574 26.483 1.00 28.82 C ATOM 965 CG1 VAL A 123 -0.432 24.847 27.103 1.00 28.34 C ATOM 966 CG2 VAL A 123 1.765 23.587 27.321 1.00 25.38 C ATOM 967 N ARG A 124 2.435 25.306 23.836 1.00 33.12 N ATOM 968 CA ARG A 124 3.689 25.540 23.129 1.00 36.48 C ATOM 969 C ARG A 124 4.962 25.458 23.976 1.00 38.27 C ATOM 970 O ARG A 124 5.969 24.894 23.535 1.00 37.21 O ATOM 971 CB ARG A 124 3.632 26.899 22.440 1.00 36.20 C ATOM 972 CG ARG A 124 2.782 26.916 21.205 1.00 35.99 C ATOM 973 CD ARG A 124 3.386 26.026 20.162 1.00 34.51 C ATOM 974 NE ARG A 124 2.783 26.275 18.861 1.00 34.84 N ATOM 975 CZ ARG A 124 3.013 25.538 17.781 1.00 32.99 C ATOM 976 NH1 ARG A 124 3.841 24.504 17.846 1.00 33.28 N ATOM 977 NH2 ARG A 124 2.392 25.819 16.646 1.00 33.94 N ATOM 978 N THR A 125 4.932 26.058 25.166 1.00 38.87 N ATOM 979 CA THR A 125 6.083 26.077 26.066 1.00 38.37 C ATOM 980 C THR A 125 5.863 25.191 27.295 1.00 39.77 C ATOM 981 O THR A 125 4.732 24.959 27.695 1.00 40.68 O ATOM 982 CB THR A 125 6.357 27.509 26.515 1.00 39.39 C ATOM 983 OG1 THR A 125 5.195 28.031 27.161 1.00 43.56 O ATOM 984 CG2 THR A 125 6.656 28.380 25.308 1.00 39.94 C ATOM 985 N PRO A 126 6.947 24.694 27.918 1.00 42.40 N ATOM 986 CA PRO A 126 6.819 23.836 29.101 1.00 40.15 C ATOM 987 C PRO A 126 6.558 24.638 30.369 1.00 41.46 C ATOM 988 O PRO A 126 7.312 24.555 31.336 1.00 43.11 O ATOM 989 CB PRO A 126 8.168 23.137 29.161 1.00 39.18 C ATOM 990 CG PRO A 126 9.089 24.212 28.742 1.00 40.67 C ATOM 991 CD PRO A 126 8.363 24.866 27.557 1.00 40.72 C ATOM 992 N GLU A 127 5.525 25.472 30.314 1.00 42.74 N ATOM 993 CA GLU A 127 5.115 26.294 31.439 1.00 44.44 C ATOM 994 C GLU A 127 3.696 25.883 31.798 1.00 44.31 C ATOM 995 O GLU A 127 3.014 25.240 31.008 1.00 45.67 O ATOM 996 CB GLU A 127 5.107 27.775 31.065 1.00 46.44 C ATOM 997 CG GLU A 127 6.473 28.398 30.838 1.00 49.98 C ATOM 998 CD GLU A 127 6.381 29.877 30.484 1.00 51.72 C ATOM 999 OE1 GLU A 127 5.757 30.199 29.446 1.00 50.31 O ATOM 1000 OE2 GLU A 127 6.935 30.713 31.239 1.00 54.08 O ATOM 1001 N VAL A 128 3.257 26.236 32.998 1.00 43.59 N ATOM 1002 CA VAL A 128 1.907 25.920 33.426 1.00 42.96 C ATOM 1003 C VAL A 128 1.026 27.141 33.120 1.00 46.02 C ATOM 1004 O VAL A 128 1.056 28.144 33.839 1.00 47.81 O ATOM 1005 CB VAL A 128 1.875 25.541 34.934 1.00 41.10 C ATOM 1006 CG1 VAL A 128 0.449 25.399 35.443 1.00 38.61 C ATOM 1007 CG2 VAL A 128 2.610 24.247 35.137 1.00 38.64 C ATOM 1008 N ASP A 129 0.318 27.085 31.996 1.00 47.86 N ATOM 1009 CA ASP A 129 -0.562 28.175 31.586 1.00 49.67 C ATOM 1010 C ASP A 129 -1.931 27.995 32.250 1.00 50.34 C ATOM 1011 O ASP A 129 -2.649 27.035 31.973 1.00 49.12 O ATOM 1012 CB ASP A 129 -0.708 28.195 30.058 1.00 51.11 C ATOM 1013 CG ASP A 129 -1.119 29.570 29.515 1.00 54.04 C ATOM 1014 OD1 ASP A 129 -1.995 30.246 30.113 1.00 53.78 O ATOM 1015 OD2 ASP A 129 -0.552 29.975 28.477 1.00 56.14 O ATOM 1016 N ASP A 130 -2.295 28.922 33.124 1.00 51.00 N ATOM 1017 CA ASP A 130 -3.570 28.828 33.798 1.00 51.04 C ATOM 1018 C ASP A 130 -4.737 29.072 32.862 1.00 49.43 C ATOM 1019 O ASP A 130 -5.739 28.374 32.942 1.00 53.68 O ATOM 1020 CB ASP A 130 -3.614 29.792 34.976 1.00 54.76 C ATOM 1021 CG ASP A 130 -2.705 29.361 36.099 1.00 55.44 C ATOM 1022 OD1 ASP A 130 -2.862 28.209 36.567 1.00 56.22 O ATOM 1023 OD2 ASP A 130 -1.833 30.167 36.495 1.00 56.32 O ATOM 1024 N GLU A 131 -4.597 30.035 31.955 1.00 45.02 N ATOM 1025 CA GLU A 131 -5.663 30.360 31.013 1.00 47.51 C ATOM 1026 C GLU A 131 -6.043 29.148 30.173 1.00 44.03 C ATOM 1027 O GLU A 131 -7.223 28.905 29.931 1.00 50.21 O ATOM 1028 CB GLU A 131 -5.238 31.520 30.111 1.00 54.94 C ATOM 1029 CG GLU A 131 -6.224 31.871 28.988 1.00 63.90 C ATOM 1030 CD GLU A 131 -5.587 32.693 27.849 1.00 69.96 C ATOM 1031 OE1 GLU A 131 -4.457 33.207 28.022 1.00 74.77 O ATOM 1032 OE2 GLU A 131 -6.213 32.821 26.770 1.00 73.34 O ATOM 1033 N ALA A 132 -5.049 28.375 29.748 1.00 43.62 N ATOM 1034 CA ALA A 132 -5.296 27.190 28.934 1.00 43.48 C ATOM 1035 C ALA A 132 -6.086 26.143 29.720 1.00 44.42 C ATOM 1036 O ALA A 132 -7.080 25.590 29.234 1.00 45.29 O ATOM 1037 CB ALA A 132 -3.975 26.599 28.434 1.00 42.35 C ATOM 1038 N LEU A 133 -5.648 25.903 30.952 1.00 44.55 N ATOM 1039 CA LEU A 133 -6.284 24.937 31.838 1.00 40.47 C ATOM 1040 C LEU A 133 -7.728 25.327 32.152 1.00 38.41 C ATOM 1041 O LEU A 133 -8.557 24.460 32.392 1.00 43.41 O ATOM 1042 CB LEU A 133 -5.454 24.771 33.120 1.00 40.09 C ATOM 1043 CG LEU A 133 -4.041 24.187 32.927 1.00 39.32 C ATOM 1044 CD1 LEU A 133 -3.193 24.359 34.172 1.00 37.62 C ATOM 1045 CD2 LEU A 133 -4.124 22.717 32.542 1.00 37.67 C ATOM 1046 N GLU A 134 -8.037 26.619 32.125 1.00 33.97 N ATOM 1047 CA GLU A 134 -9.395 27.071 32.385 1.00 36.22 C ATOM 1048 C GLU A 134 -10.246 26.615 31.218 1.00 33.71 C ATOM 1049 O GLU A 134 -11.253 25.934 31.404 1.00 40.66 O ATOM 1050 CB GLU A 134 -9.465 28.597 32.500 1.00 46.30 C ATOM 1051 CG GLU A 134 -9.041 29.153 33.853 1.00 57.40 C ATOM 1052 CD GLU A 134 -8.897 30.675 33.855 1.00 64.67 C ATOM 1053 OE1 GLU A 134 -9.930 31.378 33.927 1.00 70.51 O ATOM 1054 OE2 GLU A 134 -7.747 31.173 33.796 1.00 69.64 O ATOM 1055 N LYS A 135 -9.817 26.970 30.011 1.00 33.91 N ATOM 1056 CA LYS A 135 -10.539 26.609 28.796 1.00 33.03 C ATOM 1057 C LYS A 135 -10.652 25.098 28.659 1.00 33.85 C ATOM 1058 O LYS A 135 -11.662 24.583 28.178 1.00 34.68 O ATOM 1059 CB LYS A 135 -9.839 27.195 27.567 1.00 37.10 C ATOM 1060 CG LYS A 135 -10.049 28.701 27.363 1.00 37.99 C ATOM 1061 CD LYS A 135 -9.046 29.241 26.346 1.00 38.48 C ATOM 1062 CE LYS A 135 -9.466 30.555 25.706 1.00 38.15 C ATOM 1063 NZ LYS A 135 -9.676 31.634 26.701 1.00 44.37 N ATOM 1064 N PHE A 136 -9.620 24.384 29.085 1.00 30.28 N ATOM 1065 CA PHE A 136 -9.635 22.935 29.003 1.00 28.24 C ATOM 1066 C PHE A 136 -10.716 22.408 29.924 1.00 32.21 C ATOM 1067 O PHE A 136 -11.488 21.523 29.553 1.00 37.63 O ATOM 1068 CB PHE A 136 -8.286 22.359 29.424 1.00 22.93 C ATOM 1069 CG PHE A 136 -8.196 20.862 29.287 1.00 22.23 C ATOM 1070 CD1 PHE A 136 -8.664 20.219 28.147 1.00 21.38 C ATOM 1071 CD2 PHE A 136 -7.620 20.097 30.283 1.00 21.62 C ATOM 1072 CE1 PHE A 136 -8.555 18.834 27.999 1.00 20.23 C ATOM 1073 CE2 PHE A 136 -7.511 18.705 30.135 1.00 22.04 C ATOM 1074 CZ PHE A 136 -7.981 18.082 28.986 1.00 20.83 C ATOM 1075 N ASP A 137 -10.770 22.946 31.134 1.00 33.73 N ATOM 1076 CA ASP A 137 -11.757 22.513 32.100 1.00 34.79 C ATOM 1077 C ASP A 137 -13.156 22.879 31.675 1.00 34.82 C ATOM 1078 O ASP A 137 -14.071 22.075 31.799 1.00 35.53 O ATOM 1079 CB ASP A 137 -11.443 23.075 33.476 1.00 36.27 C ATOM 1080 CG ASP A 137 -10.289 22.352 34.144 1.00 40.20 C ATOM 1081 OD1 ASP A 137 -9.949 21.211 33.737 1.00 42.38 O ATOM 1082 OD2 ASP A 137 -9.719 22.930 35.091 1.00 45.45 O ATOM 1083 N LYS A 138 -13.312 24.072 31.121 1.00 36.49 N ATOM 1084 CA LYS A 138 -14.615 24.517 30.652 1.00 40.36 C ATOM 1085 C LYS A 138 -15.159 23.540 29.609 1.00 41.04 C ATOM 1086 O LYS A 138 -16.291 23.066 29.722 1.00 45.82 O ATOM 1087 CB LYS A 138 -14.525 25.928 30.069 1.00 45.79 C ATOM 1088 CG LYS A 138 -14.383 27.034 31.118 1.00 52.99 C ATOM 1089 CD LYS A 138 -13.984 28.353 30.443 1.00 60.26 C ATOM 1090 CE LYS A 138 -14.054 29.578 31.372 1.00 64.29 C ATOM 1091 NZ LYS A 138 -13.465 30.794 30.720 1.00 65.60 N ATOM 1092 N ALA A 139 -14.347 23.198 28.617 1.00 39.43 N ATOM 1093 CA ALA A 139 -14.783 22.267 27.582 1.00 36.00 C ATOM 1094 C ALA A 139 -15.047 20.885 28.145 1.00 36.42 C ATOM 1095 O ALA A 139 -15.818 20.117 27.580 1.00 38.30 O ATOM 1096 CB ALA A 139 -13.747 22.179 26.516 1.00 36.27 C ATOM 1097 N LEU A 140 -14.435 20.599 29.289 1.00 38.88 N ATOM 1098 CA LEU A 140 -14.530 19.308 29.960 1.00 38.72 C ATOM 1099 C LEU A 140 -15.714 19.063 30.869 1.00 40.27 C ATOM 1100 O LEU A 140 -16.050 17.915 31.124 1.00 40.19 O ATOM 1101 CB LEU A 140 -13.272 19.073 30.790 1.00 37.66 C ATOM 1102 CG LEU A 140 -12.349 17.951 30.351 1.00 38.25 C ATOM 1103 CD1 LEU A 140 -11.997 18.110 28.877 1.00 37.71 C ATOM 1104 CD2 LEU A 140 -11.114 17.987 31.230 1.00 36.78 C ATOM 1105 N LYS A 141 -16.335 20.112 31.386 1.00 43.06 N ATOM 1106 CA LYS A 141 -17.444 19.894 32.304 1.00 48.16 C ATOM 1107 C LYS A 141 -18.634 19.221 31.661 1.00 48.63 C ATOM 1108 O LYS A 141 -19.378 18.500 32.321 1.00 51.47 O ATOM 1109 CB LYS A 141 -17.874 21.189 32.964 1.00 50.48 C ATOM 1110 CG LYS A 141 -18.369 22.221 32.015 1.00 56.27 C ATOM 1111 CD LYS A 141 -18.906 23.408 32.785 1.00 62.28 C ATOM 1112 CE LYS A 141 -19.186 24.566 31.851 1.00 65.59 C ATOM 1113 NZ LYS A 141 -17.913 25.072 31.268 1.00 69.31 N ATOM 1114 N ALA A 142 -18.806 19.442 30.366 1.00 49.51 N ATOM 1115 CA ALA A 142 -19.919 18.858 29.629 1.00 49.52 C ATOM 1116 C ALA A 142 -19.717 17.380 29.274 1.00 48.79 C ATOM 1117 O ALA A 142 -20.637 16.708 28.788 1.00 51.18 O ATOM 1118 CB ALA A 142 -20.162 19.665 28.364 1.00 52.66 C ATOM 1119 N LEU A 143 -18.508 16.881 29.487 1.00 45.18 N ATOM 1120 CA LEU A 143 -18.191 15.501 29.159 1.00 40.14 C ATOM 1121 C LEU A 143 -18.028 14.623 30.395 1.00 40.95 C ATOM 1122 O LEU A 143 -17.711 15.099 31.483 1.00 42.99 O ATOM 1123 CB LEU A 143 -16.918 15.467 28.327 1.00 37.39 C ATOM 1124 CG LEU A 143 -16.911 16.500 27.212 1.00 34.32 C ATOM 1125 CD1 LEU A 143 -15.539 16.539 26.577 1.00 34.36 C ATOM 1126 CD2 LEU A 143 -17.993 16.172 26.206 1.00 32.62 C ATOM 1127 N PRO A 144 -18.253 13.315 30.239 1.00 41.28 N ATOM 1128 CA PRO A 144 -18.144 12.329 31.327 1.00 37.60 C ATOM 1129 C PRO A 144 -16.725 11.861 31.674 1.00 35.84 C ATOM 1130 O PRO A 144 -16.457 10.662 31.704 1.00 38.20 O ATOM 1131 CB PRO A 144 -18.991 11.167 30.807 1.00 39.96 C ATOM 1132 CG PRO A 144 -18.753 11.231 29.309 1.00 40.03 C ATOM 1133 CD PRO A 144 -18.860 12.722 29.030 1.00 38.88 C ATOM 1134 N MET A 145 -15.825 12.782 31.988 1.00 33.67 N ATOM 1135 CA MET A 145 -14.459 12.389 32.313 1.00 32.01 C ATOM 1136 C MET A 145 -14.374 11.843 33.732 1.00 33.15 C ATOM 1137 O MET A 145 -15.040 12.348 34.629 1.00 37.76 O ATOM 1138 CB MET A 145 -13.528 13.584 32.153 1.00 30.41 C ATOM 1139 CG MET A 145 -13.664 14.288 30.815 1.00 29.02 C ATOM 1140 SD MET A 145 -13.291 13.212 29.415 1.00 36.13 S ATOM 1141 CE MET A 145 -12.209 14.238 28.497 1.00 30.29 C ATOM 1142 N HIS A 146 -13.580 10.799 33.940 1.00 34.56 N ATOM 1143 CA HIS A 146 -13.429 10.212 35.276 1.00 34.30 C ATOM 1144 C HIS A 146 -12.008 10.202 35.804 1.00 34.05 C ATOM 1145 O HIS A 146 -11.746 9.670 36.875 1.00 31.85 O ATOM 1146 CB HIS A 146 -14.005 8.797 35.333 1.00 36.91 C ATOM 1147 CG HIS A 146 -15.490 8.762 35.206 1.00 39.70 C ATOM 1148 ND1 HIS A 146 -16.311 9.540 35.997 1.00 41.71 N ATOM 1149 CD2 HIS A 146 -16.303 8.123 34.334 1.00 41.30 C ATOM 1150 CE1 HIS A 146 -17.563 9.388 35.609 1.00 43.86 C ATOM 1151 NE2 HIS A 146 -17.586 8.533 34.601 1.00 44.02 N ATOM 1152 N ILE A 147 -11.089 10.761 35.031 1.00 32.79 N ATOM 1153 CA ILE A 147 -9.702 10.840 35.446 1.00 32.09 C ATOM 1154 C ILE A 147 -9.086 12.054 34.793 1.00 35.15 C ATOM 1155 O ILE A 147 -9.360 12.329 33.623 1.00 38.47 O ATOM 1156 CB ILE A 147 -8.912 9.562 35.105 1.00 32.72 C ATOM 1157 CG1 ILE A 147 -7.483 9.690 35.632 1.00 31.36 C ATOM 1158 CG2 ILE A 147 -8.938 9.277 33.607 1.00 31.79 C ATOM 1159 CD1 ILE A 147 -6.688 8.410 35.539 1.00 32.50 C ATOM 1160 N ARG A 148 -8.317 12.819 35.566 1.00 36.38 N ATOM 1161 CA ARG A 148 -7.667 14.015 35.056 1.00 35.43 C ATOM 1162 C ARG A 148 -6.237 14.113 35.555 1.00 34.22 C ATOM 1163 O ARG A 148 -6.007 14.212 36.758 1.00 34.39 O ATOM 1164 CB ARG A 148 -8.426 15.260 35.489 1.00 39.96 C ATOM 1165 CG ARG A 148 -7.990 16.485 34.731 1.00 49.58 C ATOM 1166 CD ARG A 148 -7.976 17.700 35.622 1.00 57.33 C ATOM 1167 NE ARG A 148 -7.764 18.945 34.883 1.00 63.65 N ATOM 1168 CZ ARG A 148 -6.742 19.777 35.087 1.00 67.45 C ATOM 1169 NH1 ARG A 148 -5.811 19.496 35.996 1.00 69.90 N ATOM 1170 NH2 ARG A 148 -6.709 20.947 34.461 1.00 69.48 N ATOM 1171 N LEU A 149 -5.285 14.072 34.628 1.00 30.97 N ATOM 1172 CA LEU A 149 -3.865 14.157 34.947 1.00 27.98 C ATOM 1173 C LEU A 149 -3.315 15.510 34.551 1.00 30.25 C ATOM 1174 O LEU A 149 -3.667 16.045 33.511 1.00 31.68 O ATOM 1175 CB LEU A 149 -3.096 13.083 34.186 1.00 27.61 C ATOM 1176 CG LEU A 149 -3.411 11.637 34.549 1.00 27.19 C ATOM 1177 CD1 LEU A 149 -2.744 10.704 33.572 1.00 28.37 C ATOM 1178 CD2 LEU A 149 -2.919 11.347 35.943 1.00 28.17 C ATOM 1179 N SER A 150 -2.408 16.037 35.357 1.00 30.67 N ATOM 1180 CA SER A 150 -1.780 17.327 35.095 1.00 28.64 C ATOM 1181 C SER A 150 -0.272 17.160 35.359 1.00 32.84 C ATOM 1182 O SER A 150 0.134 16.484 36.321 1.00 32.80 O ATOM 1183 CB SER A 150 -2.399 18.379 36.001 1.00 29.30 C ATOM 1184 OG SER A 150 -1.751 19.618 35.873 1.00 36.06 O ATOM 1185 N PHE A 151 0.557 17.728 34.479 1.00 32.60 N ATOM 1186 CA PHE A 151 2.013 17.601 34.596 1.00 29.70 C ATOM 1187 C PHE A 151 2.718 18.918 34.926 1.00 32.57 C ATOM 1188 O PHE A 151 2.193 19.996 34.643 1.00 36.09 O ATOM 1189 CB PHE A 151 2.588 16.983 33.316 1.00 28.03 C ATOM 1190 CG PHE A 151 2.014 15.628 32.988 1.00 26.06 C ATOM 1191 CD1 PHE A 151 2.547 14.476 33.542 1.00 24.27 C ATOM 1192 CD2 PHE A 151 0.889 15.510 32.178 1.00 23.60 C ATOM 1193 CE1 PHE A 151 1.956 13.236 33.297 1.00 23.25 C ATOM 1194 CE2 PHE A 151 0.304 14.271 31.935 1.00 20.51 C ATOM 1195 CZ PHE A 151 0.832 13.145 32.494 1.00 21.15 C ATOM 1196 N ASN A 152 3.868 18.834 35.591 1.00 35.16 N ATOM 1197 CA ASN A 152 4.633 20.023 35.966 1.00 37.11 C ATOM 1198 C ASN A 152 5.771 20.276 34.984 1.00 37.24 C ATOM 1199 O ASN A 152 6.164 19.365 34.240 1.00 35.66 O ATOM 1200 CB ASN A 152 5.148 19.939 37.424 1.00 40.18 C ATOM 1201 CG ASN A 152 6.249 18.892 37.628 1.00 41.75 C ATOM 1202 OD1 ASN A 152 7.243 18.858 36.906 1.00 45.42 O ATOM 1203 ND2 ASN A 152 6.089 18.065 38.646 1.00 42.16 N ATOM 1204 N PRO A 153 6.303 21.513 34.955 1.00 38.27 N ATOM 1205 CA PRO A 153 7.398 21.881 34.052 1.00 38.37 C ATOM 1206 C PRO A 153 8.519 20.851 33.971 1.00 42.47 C ATOM 1207 O PRO A 153 8.840 20.383 32.881 1.00 48.45 O ATOM 1208 CB PRO A 153 7.875 23.209 34.626 1.00 37.85 C ATOM 1209 CG PRO A 153 6.597 23.834 35.074 1.00 37.36 C ATOM 1210 CD PRO A 153 5.906 22.669 35.780 1.00 37.57 C ATOM 1211 N THR A 154 9.076 20.461 35.116 1.00 43.79 N ATOM 1212 CA THR A 154 10.163 19.483 35.156 1.00 42.60 C ATOM 1213 C THR A 154 9.845 18.223 34.367 1.00 40.21 C ATOM 1214 O THR A 154 10.683 17.753 33.593 1.00 41.30 O ATOM 1215 CB THR A 154 10.535 19.101 36.618 1.00 46.29 C ATOM 1216 OG1 THR A 154 10.973 20.276 37.322 1.00 48.06 O ATOM 1217 CG2 THR A 154 11.658 18.053 36.646 1.00 46.45 C ATOM 1218 N GLN A 155 8.634 17.696 34.554 1.00 39.57 N ATOM 1219 CA GLN A 155 8.182 16.482 33.868 1.00 38.91 C ATOM 1220 C GLN A 155 7.992 16.688 32.370 1.00 36.91 C ATOM 1221 O GLN A 155 8.201 15.763 31.583 1.00 35.96 O ATOM 1222 CB GLN A 155 6.863 15.987 34.454 1.00 40.25 C ATOM 1223 CG GLN A 155 6.915 15.602 35.911 1.00 42.62 C ATOM 1224 CD GLN A 155 5.541 15.269 36.458 1.00 43.77 C ATOM 1225 OE1 GLN A 155 5.312 14.173 36.969 1.00 48.53 O ATOM 1226 NE2 GLN A 155 4.619 16.209 36.350 1.00 41.90 N ATOM 1227 N LEU A 156 7.526 17.876 31.992 1.00 34.67 N ATOM 1228 CA LEU A 156 7.292 18.217 30.590 1.00 35.07 C ATOM 1229 C LEU A 156 8.560 18.107 29.718 1.00 37.16 C ATOM 1230 O LEU A 156 8.485 17.780 28.525 1.00 36.97 O ATOM 1231 CB LEU A 156 6.658 19.619 30.478 1.00 31.17 C ATOM 1232 CG LEU A 156 5.223 19.787 31.001 1.00 27.54 C ATOM 1233 CD1 LEU A 156 4.744 21.180 30.730 1.00 26.75 C ATOM 1234 CD2 LEU A 156 4.295 18.811 30.340 1.00 24.95 C ATOM 1235 N GLU A 157 9.715 18.355 30.327 1.00 39.30 N ATOM 1236 CA GLU A 157 10.994 18.281 29.634 1.00 40.03 C ATOM 1237 C GLU A 157 11.612 16.887 29.626 1.00 41.85 C ATOM 1238 O GLU A 157 12.653 16.677 29.013 1.00 45.72 O ATOM 1239 CB GLU A 157 11.977 19.264 30.251 1.00 38.39 C ATOM 1240 CG GLU A 157 11.714 20.699 29.890 1.00 38.93 C ATOM 1241 CD GLU A 157 12.081 20.991 28.453 1.00 40.85 C ATOM 1242 OE1 GLU A 157 13.290 21.083 28.150 1.00 42.53 O ATOM 1243 OE2 GLU A 157 11.162 21.126 27.621 1.00 41.97 O ATOM 1244 N GLU A 158 10.998 15.936 30.315 1.00 44.22 N ATOM 1245 CA GLU A 158 11.534 14.575 30.349 1.00 48.49 C ATOM 1246 C GLU A 158 10.792 13.699 29.337 1.00 49.52 C ATOM 1247 O GLU A 158 9.613 13.922 29.057 1.00 51.19 O ATOM 1248 CB GLU A 158 11.388 13.964 31.751 1.00 51.13 C ATOM 1249 CG GLU A 158 11.809 14.859 32.937 1.00 56.13 C ATOM 1250 CD GLU A 158 13.308 15.153 33.005 1.00 59.12 C ATOM 1251 OE1 GLU A 158 14.120 14.222 32.789 1.00 61.41 O ATOM 1252 OE2 GLU A 158 13.673 16.317 33.297 1.00 59.12 O ATOM 1253 N GLN A 159 11.482 12.711 28.778 1.00 52.32 N ATOM 1254 CA GLN A 159 10.862 11.797 27.819 1.00 56.30 C ATOM 1255 C GLN A 159 9.777 11.052 28.593 1.00 56.11 C ATOM 1256 O GLN A 159 10.043 10.549 29.683 1.00 58.47 O ATOM 1257 CB GLN A 159 11.883 10.769 27.307 1.00 60.46 C ATOM 1258 CG GLN A 159 13.154 11.338 26.664 1.00 65.75 C ATOM 1259 CD GLN A 159 13.134 11.274 25.143 1.00 67.84 C ATOM 1260 OE1 GLN A 159 13.293 12.292 24.467 1.00 69.35 O ATOM 1261 NE2 GLN A 159 12.944 10.075 24.599 1.00 69.16 N ATOM 1262 N CYS A 160 8.569 10.989 28.042 1.00 54.74 N ATOM 1263 CA CYS A 160 7.453 10.301 28.689 1.00 53.89 C ATOM 1264 C CYS A 160 7.057 10.874 30.036 1.00 53.77 C ATOM 1265 O CYS A 160 6.319 10.243 30.789 1.00 53.62 O ATOM 1266 CB CYS A 160 7.738 8.814 28.837 1.00 55.56 C ATOM 1267 SG CYS A 160 7.605 7.891 27.278 1.00 60.24 S ATOM 1268 N HIS A 161 7.479 12.108 30.295 1.00 55.77 N ATOM 1269 CA HIS A 161 7.168 12.794 31.545 1.00 58.47 C ATOM 1270 C HIS A 161 7.599 11.945 32.752 1.00 63.42 C ATOM 1271 O HIS A 161 6.800 11.706 33.663 1.00 65.72 O ATOM 1272 CB HIS A 161 5.664 13.121 31.610 1.00 56.56 C ATOM 1273 CG HIS A 161 5.180 14.038 30.520 1.00 54.94 C ATOM 1274 ND1 HIS A 161 5.836 14.181 29.309 1.00 54.37 N ATOM 1275 CD2 HIS A 161 4.107 14.865 30.460 1.00 52.95 C ATOM 1276 CE1 HIS A 161 5.184 15.048 28.558 1.00 52.73 C ATOM 1277 NE2 HIS A 161 4.135 15.482 29.236 1.00 51.24 N ATOM 1278 N ILE A 162 8.878 11.543 32.735 1.00 67.58 N ATOM 1279 CA ILE A 162 9.552 10.712 33.755 1.00 70.12 C ATOM 1280 C ILE A 162 9.192 9.214 33.704 1.00 73.27 C ATOM 1281 O ILE A 162 8.382 8.734 34.539 1.00 75.75 O ATOM 1282 CB ILE A 162 9.409 11.280 35.200 1.00 69.52 C ATOM 1283 CG1 ILE A 162 9.923 12.722 35.248 1.00 68.12 C ATOM 1284 CG2 ILE A 162 10.238 10.440 36.184 1.00 70.70 C ATOM 1285 CD1 ILE A 162 9.774 13.383 36.603 1.00 66.69 C ATOM 1286 OXT ILE A 162 9.752 8.526 32.821 1.00 74.75 O TER 1287 ILE A 162 HETATM 1288 O HOH A 165 -12.984 26.206 26.527 1.00 37.29 O HETATM 1289 O HOH A 166 -3.770 10.812 26.496 1.00 39.14 O HETATM 1290 O HOH A 167 15.171 8.187 17.657 1.00 90.35 O HETATM 1291 O HOH A 168 -0.561 1.571 21.013 1.00 97.40 O HETATM 1292 O HOH A 169 -5.251 -3.625 20.086 1.00 63.32 O HETATM 1293 O HOH A 170 -3.197 7.562 19.775 1.00 36.97 O HETATM 1294 O HOH A 171 -16.770 5.769 8.509 1.00 73.54 O HETATM 1295 O HOH A 172 7.248 24.968 41.752 1.00 99.35 O HETATM 1296 O HOH A 173 -12.306 13.248 37.256 1.00 50.37 O HETATM 1297 O HOH A 174 -17.334 20.397 24.941 1.00 49.94 O HETATM 1298 O HOH A 176 13.446 21.736 33.404 1.00 72.35 O HETATM 1299 O HOH A 177 7.848 -4.428 32.221 1.00 85.94 O HETATM 1300 O HOH A 178 9.871 -6.463 31.108 1.00 75.72 O HETATM 1301 O HOH A 179 8.065 -4.503 36.799 1.00 90.63 O HETATM 1302 O HOH A 180 18.623 11.500 10.266 1.00 89.82 O HETATM 1303 O HOH A 181 15.191 13.334 11.373 1.00 90.64 O HETATM 1304 O HOH A 182 -8.738 5.924 8.276 1.00 65.50 O HETATM 1305 O HOH A 183 -18.482 7.919 10.715 1.00 84.33 O HETATM 1306 O HOH A 184 -20.098 7.468 32.757 1.00 54.49 O HETATM 1307 O HOH A 185 -12.871 30.554 15.396 1.00 48.08 O HETATM 1308 O HOH A 186 4.323 16.540 25.723 1.00 34.38 O HETATM 1309 O HOH A 187 -14.527 5.836 36.868 1.00 47.77 O HETATM 1310 O HOH A 188 -14.295 22.246 11.416 1.00 51.15 O HETATM 1311 O HOH A 189 -14.181 12.921 4.100 1.00 69.93 O HETATM 1312 O HOH A 190 -6.680 34.293 31.375 1.00 76.56 O HETATM 1313 O HOH A 191 -19.965 3.759 24.958 1.00 50.78 O HETATM 1314 O HOH A 192 -20.654 10.482 34.052 1.00 71.25 O HETATM 1315 O HOH A 193 -16.848 15.638 37.048 1.00 67.11 O HETATM 1316 O HOH A 194 7.350 14.227 26.742 1.00 73.50 O HETATM 1317 O HOH A 195 -8.036 21.550 8.466 1.00 44.79 O HETATM 1318 O HOH A 196 5.543 1.318 34.555 1.00 70.24 O HETATM 1319 O HOH A 197 5.284 5.354 36.120 1.00 75.50 O HETATM 1320 O HOH A 198 4.939 -3.685 22.625 1.00 66.33 O HETATM 1321 O HOH A 199 2.115 28.644 27.741 1.00 72.04 O HETATM 1322 O HOH A 200 0.632 12.302 3.366 1.00 80.90 O HETATM 1323 O HOH A 201 -3.540 6.251 11.086 1.00 65.79 O HETATM 1324 O HOH A 202 12.862 2.713 32.897 1.00 71.95 O HETATM 1325 O HOH A 203 -9.535 7.140 21.434 1.00 58.11 O HETATM 1326 O HOH A 204 -9.587 32.270 30.174 1.00 90.58 O HETATM 1327 O HOH A 206 -2.737 4.885 19.948 1.00 84.66 O HETATM 1328 O HOH A 207 -13.553 20.932 35.822 1.00 91.12 O HETATM 1329 O HOH A 208 -11.487 17.214 35.832 1.00 71.52 O HETATM 1330 O HOH A 209 5.756 14.077 -0.750 1.00 97.39 O HETATM 1331 O HOH A 210 -17.066 8.523 7.877 1.00 93.54 O HETATM 1332 O HOH A 211 0.792 0.096 26.308 1.00 74.97 O HETATM 1333 O HOH A 212 -9.113 24.931 5.631 1.00 70.49 O HETATM 1334 O HOH A 213 -8.497 28.125 6.981 1.00 61.27 O HETATM 1335 O HOH A 214 0.398 21.667 36.010 1.00 55.78 O HETATM 1336 O HOH A 215 -14.220 27.446 18.346 1.00 56.16 O HETATM 1337 O HOH A 216 -11.233 32.873 10.415 1.00 94.41 O HETATM 1338 O HOH A 218 14.605 -1.306 30.838 1.00 67.46 O HETATM 1339 O HOH A 219 7.175 2.286 17.653 1.00 84.10 O HETATM 1340 O HOH A 220 -7.122 19.453 6.754 1.00 78.84 O HETATM 1341 O HOH A 221 -10.198 17.378 8.231 1.00 48.50 O HETATM 1342 O HOH A 222 -12.446 21.468 4.041 1.00 79.98 O HETATM 1343 O HOH A 223 -12.409 2.969 8.947 1.00 79.71 O HETATM 1344 O HOH A 224 5.479 27.059 34.477 1.00 64.69 O HETATM 1345 O HOH A 225 -4.087 17.276 16.666 1.00 92.17 O HETATM 1346 O HOH A 226 -8.242 31.082 18.389 1.00100.91 O CONECT 514 1267 CONECT 839 936 CONECT 936 839 CONECT 1267 514 MASTER 263 0 0 4 9 0 0 6 1345 1 4 13 END