HEADER TRANSPORT PROTEIN 03-MAR-03 1OOI TITLE CRYSTAL STRUCTURE OF LUSH FROM DROSOPHILA MELANOGASTER AT TITLE 2 PH 6.5 COMPND MOL_ID: 1; COMPND 2 MOLECULE: ODORANT BINDING PROTEIN LUSH; COMPND 3 CHAIN: X; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; SOURCE 3 ORGANISM_COMMON: FRUIT FLY; SOURCE 4 ORGANISM_TAXID: 7227; SOURCE 5 STRAIN: OREGON R; SOURCE 6 TISSUE: SUBSET OF TRICHOID OLFACTORY SENSILLA; SOURCE 7 GENE: LUSH; SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 10 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 11 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 12 EXPRESSION_SYSTEM_PLASMID: PET28A KEYWDS LUSH, ALCOHOL, ODORANT-BINDING PROTEIN, TRANSPORT PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR S.W.KRUSE,R.ZHAO,D.P.SMITH,D.N.M.JONES REVDAT 2 24-FEB-09 1OOI 1 VERSN REVDAT 1 02-SEP-03 1OOI 0 JRNL AUTH S.W.KRUSE,R.ZHAO,D.P.SMITH,D.N.M.JONES JRNL TITL STRUCTURE OF A SPECIFIC ALCOHOL-BINDING SITE JRNL TITL 2 DEFINED BY THE ODORANT BINDING PROTEIN LUSH FROM JRNL TITL 3 DROSOPHILA MELANOGASTER JRNL REF NAT.STRUCT.BIOL. V. 10 694 2003 JRNL REFN ISSN 1072-8368 JRNL PMID 12881720 JRNL DOI 10.1038/NSB960 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.04 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.04 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.4 REMARK 3 NUMBER OF REFLECTIONS : 6634 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 + TEST SET) : 0.201 REMARK 3 R VALUE (WORKING SET) : 0.195 REMARK 3 FREE R VALUE : 0.247 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.600 REMARK 3 FREE R VALUE TEST SET COUNT : 787 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.04 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.15 REMARK 3 REFLECTION IN BIN (WORKING SET) : 478 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2150 REMARK 3 BIN FREE R VALUE SET COUNT : 103 REMARK 3 BIN FREE R VALUE : 0.2710 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 986 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 90 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 27.79 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.38000 REMARK 3 B22 (A**2) : -0.38000 REMARK 3 B33 (A**2) : 0.57000 REMARK 3 B12 (A**2) : -0.19000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.282 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.211 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.941 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.909 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1010 ; 0.006 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1357 ; 1.172 ; 1.972 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 123 ; 3.197 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 204 ;16.329 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 143 ; 0.080 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 756 ; 0.003 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 509 ; 0.234 ; 0.300 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 85 ; 0.160 ; 0.500 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 28 ; 0.302 ; 0.300 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 2 ; 0.339 ; 0.500 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 623 ; 1.843 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1005 ; 2.949 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 387 ; 5.330 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 352 ; 7.764 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1OOI COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-MAR-03. REMARK 100 THE RCSB ID CODE IS RCSB018505. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 23-MAY-02 REMARK 200 TEMPERATURE (KELVIN) : 93 REMARK 200 PH : 6.5 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 RUH3R REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NONE REMARK 200 OPTICS : OSMIC BLUE OPTICS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 7504 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.040 REMARK 200 RESOLUTION RANGE LOW (A) : 40.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 14.900 REMARK 200 R MERGE (I) : 0.05400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 57.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.04 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.11 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 14.60 REMARK 200 R MERGE FOR SHELL (I) : 0.24700 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 10.700 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: PDB ENTRY 1OOF REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.94 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.08 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 4000, MOPS, N-BUTANOL, PH 6.5, REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 61 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+5/6 REMARK 290 6555 X-Y,X,Z+1/6 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 22.31533 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 44.63067 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 33.47300 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 55.78833 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 11.15767 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: X 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 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1OOF RELATED DB: PDB REMARK 900 COMPLEX OF DROSOPHILA ODORANT BINDING PROTEIN LUSH WITH REMARK 900 ETHANOL REMARK 900 RELATED ID: 1OOG RELATED DB: PDB REMARK 900 COMPLEX OF DROSOPHILA ODORANT BINDING PROTEIN LUSH WITH REMARK 900 PROPANOL REMARK 900 RELATED ID: 1OOH RELATED DB: PDB REMARK 900 COMPLEX OF DROSOPHILA ODORANT BINDING PROTEIN LUSH WITH REMARK 900 BUTANOL DBREF 1OOI X 1 124 UNP O02372 OB76A_DROME 30 153 SEQRES 1 X 124 MET THR MET GLU GLN PHE LEU THR SER LEU ASP MET ILE SEQRES 2 X 124 ARG SER GLY CYS ALA PRO LYS PHE LYS LEU LYS THR GLU SEQRES 3 X 124 ASP LEU ASP ARG LEU ARG VAL GLY ASP PHE ASN PHE PRO SEQRES 4 X 124 PRO SER GLN ASP LEU MET CYS TYR THR LYS CYS VAL SER SEQRES 5 X 124 LEU MET ALA GLY THR VAL ASN LYS LYS GLY GLU PHE ASN SEQRES 6 X 124 ALA PRO LYS ALA LEU ALA GLN LEU PRO HIS LEU VAL PRO SEQRES 7 X 124 PRO GLU MET MET GLU MET SER ARG LYS SER VAL GLU ALA SEQRES 8 X 124 CYS ARG ASP THR HIS LYS GLN PHE LYS GLU SER CYS GLU SEQRES 9 X 124 ARG VAL TYR GLN THR ALA LYS CYS PHE SER GLU ASN ALA SEQRES 10 X 124 ASP GLY GLN PHE MET TRP PRO FORMUL 2 HOH *90(H2 O) HELIX 1 1 THR X 2 ALA X 18 1 17 HELIX 2 2 PRO X 19 PHE X 21 5 3 HELIX 3 3 LYS X 24 VAL X 33 1 10 HELIX 4 4 SER X 41 GLY X 56 1 16 HELIX 5 5 ASN X 65 LEU X 73 1 9 HELIX 6 6 PRO X 74 LEU X 76 5 3 HELIX 7 7 PRO X 78 GLU X 80 5 3 HELIX 8 8 MET X 81 ARG X 93 1 13 HELIX 9 9 ASP X 94 PHE X 99 5 6 HELIX 10 10 GLU X 101 ALA X 117 1 17 SSBOND 1 CYS X 17 CYS X 50 1555 1555 2.03 SSBOND 2 CYS X 46 CYS X 103 1555 1555 2.03 SSBOND 3 CYS X 92 CYS X 112 1555 1555 2.02 CRYST1 55.370 55.370 66.946 90.00 90.00 120.00 P 61 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 0.018060 0.010427 0.000000 0.00000 SCALE2 0.000000 0.020854 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014937 0.00000 ATOM 1 N MET A 1 29.648 37.621 1.070 1.00 48.00 N ATOM 2 CA MET A 1 30.610 37.142 2.098 1.00 48.71 C ATOM 3 C MET A 1 31.796 38.074 2.092 1.00 47.40 C ATOM 4 O MET A 1 32.223 38.554 1.045 1.00 46.82 O ATOM 5 CB MET A 1 31.061 35.712 1.810 1.00 47.71 C ATOM 6 CG MET A 1 32.061 35.172 2.818 1.00 50.69 C ATOM 7 SD MET A 1 32.621 33.527 2.384 1.00 52.02 S ATOM 8 CE MET A 1 31.065 32.713 2.205 1.00 53.17 C ATOM 9 N THR A 2 32.320 38.358 3.268 1.00 45.72 N ATOM 10 CA THR A 2 33.444 39.250 3.332 1.00 44.86 C ATOM 11 C THR A 2 34.661 38.370 3.376 1.00 40.71 C ATOM 12 O THR A 2 34.567 37.186 3.703 1.00 41.18 O ATOM 13 CB THR A 2 33.353 40.106 4.590 1.00 45.98 C ATOM 14 OG1 THR A 2 33.526 39.277 5.744 1.00 45.35 O ATOM 15 CG2 THR A 2 31.938 40.635 4.753 1.00 47.60 C ATOM 16 N MET A 3 35.805 38.923 3.012 1.00 40.01 N ATOM 17 CA MET A 3 37.022 38.166 3.166 1.00 38.44 C ATOM 18 C MET A 3 37.135 37.863 4.651 1.00 37.01 C ATOM 19 O MET A 3 37.773 36.894 5.060 1.00 35.61 O ATOM 20 CB MET A 3 38.228 38.975 2.718 1.00 36.84 C ATOM 21 CG MET A 3 39.506 38.191 2.852 1.00 45.53 C ATOM 22 SD MET A 3 39.308 36.580 2.084 1.00 49.03 S ATOM 23 CE MET A 3 39.217 37.076 0.369 1.00 41.83 C ATOM 24 N GLU A 4 36.492 38.702 5.455 1.00 35.70 N ATOM 25 CA GLU A 4 36.531 38.554 6.900 1.00 34.61 C ATOM 26 C GLU A 4 35.723 37.334 7.350 1.00 34.80 C ATOM 27 O GLU A 4 36.207 36.537 8.153 1.00 32.85 O ATOM 28 CB GLU A 4 36.062 39.841 7.581 1.00 37.26 C ATOM 29 CG GLU A 4 36.605 40.033 8.985 1.00 37.92 C ATOM 30 CD GLU A 4 35.918 39.135 9.988 1.00 40.68 C ATOM 31 OE1 GLU A 4 34.698 38.913 9.840 1.00 46.69 O ATOM 32 OE2 GLU A 4 36.594 38.648 10.917 1.00 42.86 O ATOM 33 N GLN A 5 34.508 37.176 6.825 1.00 34.79 N ATOM 34 CA GLN A 5 33.688 36.005 7.146 1.00 36.63 C ATOM 35 C GLN A 5 34.347 34.725 6.618 1.00 33.34 C ATOM 36 O GLN A 5 34.236 33.663 7.229 1.00 33.33 O ATOM 37 CB GLN A 5 32.274 36.123 6.556 1.00 38.70 C ATOM 38 CG GLN A 5 31.412 37.284 7.056 1.00 45.62 C ATOM 39 CD GLN A 5 30.284 37.607 6.083 1.00 45.51 C ATOM 40 OE1 GLN A 5 30.126 38.753 5.663 1.00 54.33 O ATOM 41 NE2 GLN A 5 29.514 36.591 5.709 1.00 52.43 N ATOM 42 N PHE A 6 35.026 34.828 5.479 1.00 29.71 N ATOM 43 CA PHE A 6 35.688 33.671 4.878 1.00 26.31 C ATOM 44 C PHE A 6 36.774 33.114 5.806 1.00 24.32 C ATOM 45 O PHE A 6 36.839 31.907 6.044 1.00 25.16 O ATOM 46 CB PHE A 6 36.258 34.040 3.499 1.00 27.42 C ATOM 47 CG PHE A 6 36.970 32.909 2.797 1.00 30.88 C ATOM 48 CD1 PHE A 6 36.291 31.761 2.415 1.00 33.49 C ATOM 49 CD2 PHE A 6 38.320 33.009 2.499 1.00 32.99 C ATOM 50 CE1 PHE A 6 36.952 30.729 1.763 1.00 34.39 C ATOM 51 CE2 PHE A 6 38.984 31.984 1.851 1.00 32.85 C ATOM 52 CZ PHE A 6 38.300 30.843 1.482 1.00 30.80 C ATOM 53 N LEU A 7 37.596 34.008 6.348 1.00 23.35 N ATOM 54 CA LEU A 7 38.706 33.639 7.226 1.00 24.42 C ATOM 55 C LEU A 7 38.223 32.998 8.523 1.00 25.54 C ATOM 56 O LEU A 7 38.768 31.985 8.970 1.00 20.64 O ATOM 57 CB LEU A 7 39.552 34.876 7.530 1.00 26.38 C ATOM 58 CG LEU A 7 40.927 34.682 8.168 1.00 29.09 C ATOM 59 CD1 LEU A 7 41.647 33.498 7.549 1.00 35.50 C ATOM 60 CD2 LEU A 7 41.750 35.953 8.024 1.00 35.08 C ATOM 61 N THR A 8 37.206 33.604 9.127 1.00 26.50 N ATOM 62 CA THR A 8 36.603 33.053 10.330 1.00 26.94 C ATOM 63 C THR A 8 36.082 31.657 10.025 1.00 24.71 C ATOM 64 O THR A 8 36.226 30.748 10.837 1.00 25.64 O ATOM 65 CB THR A 8 35.430 33.927 10.817 1.00 30.44 C ATOM 66 OG1 THR A 8 35.914 35.208 11.237 1.00 33.05 O ATOM 67 CG2 THR A 8 34.827 33.343 12.091 1.00 33.42 C ATOM 68 N SER A 9 35.466 31.481 8.860 1.00 27.59 N ATOM 69 CA SER A 9 34.961 30.160 8.502 1.00 29.20 C ATOM 70 C SER A 9 36.100 29.152 8.396 1.00 30.41 C ATOM 71 O SER A 9 35.984 28.029 8.888 1.00 31.26 O ATOM 72 CB SER A 9 34.139 30.187 7.208 1.00 31.77 C ATOM 73 OG SER A 9 34.965 30.198 6.056 1.00 35.81 O ATOM 74 N LEU A 10 37.196 29.553 7.757 1.00 28.13 N ATOM 75 CA LEU A 10 38.354 28.677 7.628 1.00 28.25 C ATOM 76 C LEU A 10 38.815 28.216 9.005 1.00 27.56 C ATOM 77 O LEU A 10 39.161 27.052 9.191 1.00 26.98 O ATOM 78 CB LEU A 10 39.503 29.377 6.893 1.00 23.88 C ATOM 79 CG LEU A 10 39.266 29.752 5.426 1.00 29.21 C ATOM 80 CD1 LEU A 10 40.473 30.474 4.836 1.00 33.89 C ATOM 81 CD2 LEU A 10 38.916 28.528 4.594 1.00 25.31 C ATOM 82 N ASP A 11 38.800 29.122 9.978 1.00 29.63 N ATOM 83 CA ASP A 11 39.270 28.777 11.316 1.00 29.92 C ATOM 84 C ASP A 11 38.294 27.879 12.064 1.00 29.83 C ATOM 85 O ASP A 11 38.706 27.016 12.838 1.00 29.08 O ATOM 86 CB ASP A 11 39.577 30.033 12.137 1.00 32.46 C ATOM 87 CG ASP A 11 40.734 30.830 11.570 1.00 37.64 C ATOM 88 OD1 ASP A 11 41.459 30.295 10.706 1.00 32.06 O ATOM 89 OD2 ASP A 11 40.993 31.999 11.926 1.00 37.34 O ATOM 90 N MET A 12 37.003 28.085 11.830 1.00 31.62 N ATOM 91 CA MET A 12 35.977 27.289 12.489 1.00 34.10 C ATOM 92 C MET A 12 36.036 25.859 11.966 1.00 32.01 C ATOM 93 O MET A 12 36.063 24.900 12.738 1.00 32.00 O ATOM 94 CB MET A 12 34.594 27.916 12.274 1.00 36.42 C ATOM 95 CG MET A 12 34.532 29.378 12.721 1.00 47.54 C ATOM 96 SD MET A 12 32.892 30.153 12.815 1.00 60.30 S ATOM 97 CE MET A 12 32.513 30.487 11.072 1.00 60.70 C ATOM 98 N ILE A 13 36.082 25.730 10.646 1.00 32.23 N ATOM 99 CA ILE A 13 36.185 24.429 10.002 1.00 29.83 C ATOM 100 C ILE A 13 37.397 23.639 10.490 1.00 30.91 C ATOM 101 O ILE A 13 37.267 22.470 10.851 1.00 30.22 O ATOM 102 CB ILE A 13 36.196 24.595 8.482 1.00 32.61 C ATOM 103 CG1 ILE A 13 34.791 24.974 8.022 1.00 27.03 C ATOM 104 CG2 ILE A 13 36.645 23.311 7.802 1.00 30.22 C ATOM 105 CD1 ILE A 13 34.727 25.496 6.623 1.00 40.48 C ATOM 106 N ARG A 14 38.568 24.271 10.527 1.00 28.88 N ATOM 107 CA ARG A 14 39.756 23.572 11.012 1.00 30.47 C ATOM 108 C ARG A 14 39.624 23.103 12.461 1.00 32.43 C ATOM 109 O ARG A 14 40.133 22.043 12.815 1.00 31.22 O ATOM 110 CB ARG A 14 41.026 24.414 10.892 1.00 29.76 C ATOM 111 CG ARG A 14 42.169 23.800 11.706 1.00 31.73 C ATOM 112 CD ARG A 14 43.401 24.664 11.890 1.00 32.02 C ATOM 113 NE ARG A 14 44.102 24.914 10.636 1.00 25.97 N ATOM 114 CZ ARG A 14 44.998 25.877 10.474 1.00 37.44 C ATOM 115 NH1 ARG A 14 45.300 26.675 11.488 1.00 35.80 N ATOM 116 NH2 ARG A 14 45.593 26.046 9.301 1.00 32.60 N ATOM 117 N SER A 15 38.964 23.897 13.301 1.00 33.97 N ATOM 118 CA SER A 15 38.787 23.529 14.707 1.00 35.00 C ATOM 119 C SER A 15 37.916 22.287 14.897 1.00 33.54 C ATOM 120 O SER A 15 38.125 21.521 15.834 1.00 35.58 O ATOM 121 CB SER A 15 38.224 24.700 15.516 1.00 34.61 C ATOM 122 OG SER A 15 36.996 25.148 14.974 1.00 42.76 O ATOM 123 N GLY A 16 36.937 22.096 14.017 1.00 32.63 N ATOM 124 CA GLY A 16 36.088 20.918 14.066 1.00 33.67 C ATOM 125 C GLY A 16 36.778 19.668 13.542 1.00 34.26 C ATOM 126 O GLY A 16 36.576 18.569 14.057 1.00 33.56 O ATOM 127 N CYS A 17 37.616 19.831 12.526 1.00 28.96 N ATOM 128 CA CYS A 17 38.253 18.676 11.910 1.00 28.00 C ATOM 129 C CYS A 17 39.569 18.276 12.556 1.00 30.27 C ATOM 130 O CYS A 17 39.841 17.091 12.738 1.00 28.58 O ATOM 131 CB CYS A 17 38.403 18.890 10.407 1.00 25.64 C ATOM 132 SG CYS A 17 36.821 18.691 9.571 1.00 25.81 S ATOM 133 N ALA A 18 40.375 19.261 12.928 1.00 33.48 N ATOM 134 CA ALA A 18 41.660 18.965 13.540 1.00 36.27 C ATOM 135 C ALA A 18 41.577 17.879 14.621 1.00 35.61 C ATOM 136 O ALA A 18 42.298 16.886 14.553 1.00 39.50 O ATOM 137 CB ALA A 18 42.302 20.236 14.095 1.00 36.35 C ATOM 138 N PRO A 19 40.685 18.059 15.597 1.00 38.08 N ATOM 139 CA PRO A 19 40.577 17.158 16.755 1.00 37.34 C ATOM 140 C PRO A 19 40.602 15.660 16.465 1.00 35.52 C ATOM 141 O PRO A 19 41.195 14.905 17.235 1.00 35.36 O ATOM 142 CB PRO A 19 39.217 17.530 17.352 1.00 39.60 C ATOM 143 CG PRO A 19 39.029 18.949 16.991 1.00 40.01 C ATOM 144 CD PRO A 19 39.697 19.150 15.661 1.00 39.30 C ATOM 145 N LYS A 20 39.950 15.240 15.387 1.00 35.92 N ATOM 146 CA LYS A 20 39.874 13.830 15.015 1.00 32.73 C ATOM 147 C LYS A 20 41.197 13.209 14.584 1.00 29.29 C ATOM 148 O LYS A 20 41.337 11.986 14.574 1.00 28.49 O ATOM 149 CB LYS A 20 38.883 13.656 13.863 1.00 34.38 C ATOM 150 CG LYS A 20 37.526 14.271 14.119 1.00 43.12 C ATOM 151 CD LYS A 20 36.535 13.982 12.998 1.00 51.75 C ATOM 152 CE LYS A 20 35.274 14.821 13.186 1.00 61.01 C ATOM 153 NZ LYS A 20 34.141 14.449 12.290 1.00 63.96 N ATOM 154 N PHE A 21 42.162 14.038 14.210 1.00 28.01 N ATOM 155 CA PHE A 21 43.409 13.510 13.677 1.00 27.22 C ATOM 156 C PHE A 21 44.645 13.984 14.414 1.00 29.42 C ATOM 157 O PHE A 21 44.602 14.940 15.188 1.00 28.02 O ATOM 158 CB PHE A 21 43.529 13.869 12.193 1.00 25.53 C ATOM 159 CG PHE A 21 42.273 13.617 11.418 1.00 26.87 C ATOM 160 CD1 PHE A 21 41.332 14.620 11.250 1.00 16.53 C ATOM 161 CD2 PHE A 21 42.018 12.369 10.879 1.00 26.97 C ATOM 162 CE1 PHE A 21 40.166 14.386 10.548 1.00 17.85 C ATOM 163 CE2 PHE A 21 40.854 12.127 10.177 1.00 18.33 C ATOM 164 CZ PHE A 21 39.927 13.137 10.010 1.00 15.14 C ATOM 165 N LYS A 22 45.750 13.292 14.172 1.00 26.16 N ATOM 166 CA LYS A 22 47.022 13.695 14.735 1.00 30.35 C ATOM 167 C LYS A 22 47.787 14.385 13.622 1.00 26.57 C ATOM 168 O LYS A 22 48.334 13.741 12.724 1.00 27.03 O ATOM 169 CB LYS A 22 47.799 12.504 15.281 1.00 31.27 C ATOM 170 CG LYS A 22 49.162 12.875 15.836 1.00 39.37 C ATOM 171 CD LYS A 22 49.864 11.651 16.394 1.00 49.95 C ATOM 172 CE LYS A 22 51.236 11.988 16.954 1.00 54.42 C ATOM 173 NZ LYS A 22 51.894 10.799 17.563 1.00 57.16 N ATOM 174 N LEU A 23 47.810 15.708 13.700 1.00 27.08 N ATOM 175 CA LEU A 23 48.369 16.537 12.650 1.00 26.31 C ATOM 176 C LEU A 23 49.463 17.454 13.171 1.00 28.62 C ATOM 177 O LEU A 23 49.472 17.820 14.347 1.00 26.57 O ATOM 178 CB LEU A 23 47.256 17.403 12.056 1.00 26.01 C ATOM 179 CG LEU A 23 45.994 16.729 11.514 1.00 24.54 C ATOM 180 CD1 LEU A 23 44.899 17.761 11.327 1.00 25.39 C ATOM 181 CD2 LEU A 23 46.283 16.022 10.207 1.00 25.75 C ATOM 182 N LYS A 24 50.381 17.823 12.283 1.00 27.40 N ATOM 183 CA LYS A 24 51.434 18.779 12.606 1.00 29.43 C ATOM 184 C LYS A 24 50.989 20.185 12.206 1.00 28.02 C ATOM 185 O LYS A 24 50.620 20.432 11.058 1.00 29.40 O ATOM 186 CB LYS A 24 52.743 18.409 11.908 1.00 29.98 C ATOM 187 CG LYS A 24 53.288 17.047 12.312 1.00 35.47 C ATOM 188 CD LYS A 24 54.695 16.821 11.778 1.00 46.46 C ATOM 189 CE LYS A 24 55.228 15.456 12.192 1.00 55.08 C ATOM 190 NZ LYS A 24 56.521 15.126 11.527 1.00 56.51 N ATOM 191 N THR A 25 51.037 21.103 13.164 1.00 29.46 N ATOM 192 CA THR A 25 50.544 22.463 12.967 1.00 29.67 C ATOM 193 C THR A 25 51.173 23.169 11.776 1.00 27.65 C ATOM 194 O THR A 25 50.518 23.951 11.087 1.00 27.42 O ATOM 195 CB THR A 25 50.764 23.286 14.243 1.00 31.13 C ATOM 196 OG1 THR A 25 50.149 22.618 15.351 1.00 33.55 O ATOM 197 CG2 THR A 25 50.014 24.608 14.163 1.00 27.76 C ATOM 198 N GLU A 26 52.450 22.904 11.543 1.00 27.61 N ATOM 199 CA GLU A 26 53.121 23.488 10.397 1.00 26.73 C ATOM 200 C GLU A 26 52.556 22.922 9.091 1.00 27.23 C ATOM 201 O GLU A 26 52.632 23.575 8.052 1.00 25.24 O ATOM 202 CB GLU A 26 54.631 23.263 10.483 1.00 28.60 C ATOM 203 CG GLU A 26 55.306 24.017 11.620 1.00 34.66 C ATOM 204 CD GLU A 26 55.140 23.329 12.962 1.00 36.63 C ATOM 205 OE1 GLU A 26 54.815 22.122 12.982 1.00 37.10 O ATOM 206 OE2 GLU A 26 55.333 23.997 14.000 1.00 43.92 O ATOM 207 N ASP A 27 51.996 21.713 9.134 1.00 23.96 N ATOM 208 CA ASP A 27 51.392 21.135 7.932 1.00 25.91 C ATOM 209 C ASP A 27 50.133 21.918 7.602 1.00 23.23 C ATOM 210 O ASP A 27 49.932 22.336 6.463 1.00 24.25 O ATOM 211 CB ASP A 27 51.081 19.643 8.095 1.00 21.93 C ATOM 212 CG ASP A 27 52.321 18.780 8.009 1.00 27.97 C ATOM 213 OD1 ASP A 27 53.391 19.327 7.672 1.00 32.34 O ATOM 214 OD2 ASP A 27 52.330 17.555 8.260 1.00 28.44 O ATOM 215 N LEU A 28 49.303 22.139 8.615 1.00 24.17 N ATOM 216 CA LEU A 28 48.070 22.892 8.437 1.00 23.05 C ATOM 217 C LEU A 28 48.372 24.290 7.920 1.00 23.23 C ATOM 218 O LEU A 28 47.682 24.798 7.037 1.00 22.45 O ATOM 219 CB LEU A 28 47.302 22.972 9.753 1.00 22.27 C ATOM 220 CG LEU A 28 46.874 21.602 10.271 1.00 23.29 C ATOM 221 CD1 LEU A 28 46.010 21.738 11.511 1.00 21.70 C ATOM 222 CD2 LEU A 28 46.139 20.847 9.175 1.00 25.13 C ATOM 223 N ASP A 29 49.413 24.898 8.479 1.00 23.00 N ATOM 224 CA ASP A 29 49.837 26.237 8.090 1.00 22.81 C ATOM 225 C ASP A 29 50.180 26.304 6.603 1.00 21.72 C ATOM 226 O ASP A 29 49.862 27.284 5.925 1.00 22.40 O ATOM 227 CB ASP A 29 51.048 26.669 8.923 1.00 21.31 C ATOM 228 CG ASP A 29 50.693 26.978 10.371 1.00 28.94 C ATOM 229 OD1 ASP A 29 49.545 27.393 10.635 1.00 34.12 O ATOM 230 OD2 ASP A 29 51.503 26.844 11.314 1.00 37.43 O ATOM 231 N ARG A 30 50.846 25.262 6.109 1.00 20.63 N ATOM 232 CA ARG A 30 51.195 25.162 4.696 1.00 22.86 C ATOM 233 C ARG A 30 49.930 25.048 3.836 1.00 22.90 C ATOM 234 O ARG A 30 49.783 25.761 2.844 1.00 24.20 O ATOM 235 CB ARG A 30 52.152 23.982 4.449 1.00 23.03 C ATOM 236 CG ARG A 30 53.631 24.283 4.751 1.00 24.85 C ATOM 237 CD ARG A 30 54.584 23.074 4.691 1.00 33.91 C ATOM 238 NE ARG A 30 55.025 22.657 6.022 1.00 41.55 N ATOM 239 CZ ARG A 30 55.433 21.433 6.341 1.00 47.29 C ATOM 240 NH1 ARG A 30 55.464 20.473 5.426 1.00 47.35 N ATOM 241 NH2 ARG A 30 55.811 21.167 7.585 1.00 46.17 N ATOM 242 N LEU A 31 49.009 24.169 4.224 1.00 21.46 N ATOM 243 CA LEU A 31 47.766 24.009 3.470 1.00 20.04 C ATOM 244 C LEU A 31 46.985 25.316 3.430 1.00 20.13 C ATOM 245 O LEU A 31 46.453 25.699 2.389 1.00 21.31 O ATOM 246 CB LEU A 31 46.896 22.893 4.051 1.00 18.34 C ATOM 247 CG LEU A 31 47.443 21.469 3.942 1.00 17.81 C ATOM 248 CD1 LEU A 31 46.367 20.460 4.311 1.00 24.02 C ATOM 249 CD2 LEU A 31 47.976 21.193 2.545 1.00 19.44 C ATOM 250 N ARG A 32 46.935 26.005 4.565 1.00 21.22 N ATOM 251 CA ARG A 32 46.208 27.264 4.669 1.00 22.66 C ATOM 252 C ARG A 32 46.591 28.249 3.564 1.00 22.25 C ATOM 253 O ARG A 32 45.728 28.925 3.009 1.00 22.07 O ATOM 254 CB ARG A 32 46.404 27.881 6.062 1.00 23.48 C ATOM 255 CG ARG A 32 45.848 29.293 6.252 1.00 26.67 C ATOM 256 CD ARG A 32 44.326 29.419 6.177 1.00 27.54 C ATOM 257 NE ARG A 32 43.618 28.572 7.137 1.00 28.09 N ATOM 258 CZ ARG A 32 43.112 28.999 8.289 1.00 34.64 C ATOM 259 NH1 ARG A 32 43.245 30.269 8.649 1.00 26.29 N ATOM 260 NH2 ARG A 32 42.477 28.153 9.090 1.00 30.90 N ATOM 261 N VAL A 33 47.876 28.327 3.229 1.00 23.58 N ATOM 262 CA VAL A 33 48.291 29.256 2.182 1.00 24.19 C ATOM 263 C VAL A 33 48.382 28.585 0.821 1.00 26.34 C ATOM 264 O VAL A 33 48.961 29.136 -0.113 1.00 28.50 O ATOM 265 CB VAL A 33 49.615 29.979 2.495 1.00 25.55 C ATOM 266 CG1 VAL A 33 49.524 30.710 3.825 1.00 23.48 C ATOM 267 CG2 VAL A 33 50.779 29.005 2.477 1.00 24.52 C ATOM 268 N GLY A 34 47.820 27.388 0.715 1.00 25.48 N ATOM 269 CA GLY A 34 47.721 26.730 -0.572 1.00 23.59 C ATOM 270 C GLY A 34 48.994 26.056 -1.014 1.00 23.01 C ATOM 271 O GLY A 34 49.193 25.793 -2.200 1.00 25.25 O ATOM 272 N ASP A 35 49.869 25.789 -0.056 1.00 20.33 N ATOM 273 CA ASP A 35 51.077 25.045 -0.349 1.00 19.55 C ATOM 274 C ASP A 35 50.852 23.558 -0.071 1.00 18.17 C ATOM 275 O ASP A 35 51.028 23.097 1.057 1.00 18.79 O ATOM 276 CB ASP A 35 52.252 25.569 0.473 1.00 20.13 C ATOM 277 CG ASP A 35 53.485 24.702 0.336 1.00 26.45 C ATOM 278 OD1 ASP A 35 53.561 23.932 -0.645 1.00 18.38 O ATOM 279 OD2 ASP A 35 54.422 24.717 1.159 1.00 25.37 O ATOM 280 N PHE A 36 50.456 22.818 -1.104 1.00 16.12 N ATOM 281 CA PHE A 36 50.248 21.375 -0.991 1.00 20.00 C ATOM 282 C PHE A 36 51.469 20.594 -1.453 1.00 20.19 C ATOM 283 O PHE A 36 51.408 19.375 -1.616 1.00 20.03 O ATOM 284 CB PHE A 36 49.035 20.931 -1.810 1.00 18.99 C ATOM 285 CG PHE A 36 47.730 21.167 -1.122 1.00 18.39 C ATOM 286 CD1 PHE A 36 47.349 22.448 -0.767 1.00 21.68 C ATOM 287 CD2 PHE A 36 46.889 20.110 -0.816 1.00 19.68 C ATOM 288 CE1 PHE A 36 46.151 22.676 -0.126 1.00 17.28 C ATOM 289 CE2 PHE A 36 45.686 20.331 -0.175 1.00 17.81 C ATOM 290 CZ PHE A 36 45.317 21.617 0.171 1.00 21.84 C ATOM 291 N ASN A 37 52.575 21.296 -1.672 1.00 22.69 N ATOM 292 CA ASN A 37 53.797 20.646 -2.127 1.00 23.28 C ATOM 293 C ASN A 37 54.640 20.053 -0.999 1.00 25.18 C ATOM 294 O ASN A 37 55.720 20.553 -0.686 1.00 24.36 O ATOM 295 CB ASN A 37 54.645 21.599 -2.967 1.00 20.68 C ATOM 296 CG ASN A 37 55.852 20.915 -3.569 1.00 21.91 C ATOM 297 OD1 ASN A 37 55.812 19.723 -3.875 1.00 23.60 O ATOM 298 ND2 ASN A 37 56.937 21.661 -3.735 1.00 22.62 N ATOM 299 N PHE A 38 54.122 18.992 -0.389 1.00 21.00 N ATOM 300 CA PHE A 38 54.823 18.236 0.646 1.00 23.58 C ATOM 301 C PHE A 38 54.047 16.940 0.861 1.00 25.32 C ATOM 302 O PHE A 38 52.827 16.918 0.700 1.00 23.70 O ATOM 303 CB PHE A 38 54.994 19.039 1.949 1.00 22.37 C ATOM 304 CG PHE A 38 53.712 19.289 2.701 1.00 25.44 C ATOM 305 CD1 PHE A 38 53.304 18.430 3.711 1.00 19.91 C ATOM 306 CD2 PHE A 38 52.933 20.399 2.420 1.00 17.12 C ATOM 307 CE1 PHE A 38 52.133 18.664 4.409 1.00 23.19 C ATOM 308 CE2 PHE A 38 51.761 20.637 3.115 1.00 25.14 C ATOM 309 CZ PHE A 38 51.362 19.769 4.111 1.00 17.92 C ATOM 310 N PRO A 39 54.742 15.859 1.204 1.00 26.59 N ATOM 311 CA PRO A 39 54.094 14.554 1.377 1.00 26.60 C ATOM 312 C PRO A 39 53.128 14.567 2.555 1.00 25.61 C ATOM 313 O PRO A 39 53.545 14.811 3.686 1.00 22.04 O ATOM 314 CB PRO A 39 55.273 13.632 1.684 1.00 29.11 C ATOM 315 CG PRO A 39 56.268 14.550 2.307 1.00 28.02 C ATOM 316 CD PRO A 39 56.193 15.786 1.458 1.00 27.13 C ATOM 317 N PRO A 40 51.855 14.291 2.298 1.00 21.56 N ATOM 318 CA PRO A 40 50.846 14.327 3.355 1.00 21.07 C ATOM 319 C PRO A 40 50.784 13.004 4.096 1.00 19.89 C ATOM 320 O PRO A 40 51.000 11.949 3.501 1.00 20.29 O ATOM 321 CB PRO A 40 49.550 14.510 2.573 1.00 21.79 C ATOM 322 CG PRO A 40 49.801 13.786 1.283 1.00 19.15 C ATOM 323 CD PRO A 40 51.282 13.903 0.997 1.00 23.75 C ATOM 324 N SER A 41 50.502 13.063 5.389 1.00 20.64 N ATOM 325 CA SER A 41 50.281 11.854 6.156 1.00 22.94 C ATOM 326 C SER A 41 48.891 11.368 5.782 1.00 22.78 C ATOM 327 O SER A 41 48.112 12.113 5.186 1.00 23.95 O ATOM 328 CB SER A 41 50.307 12.167 7.648 1.00 21.71 C ATOM 329 OG SER A 41 49.255 13.056 7.988 1.00 25.08 O ATOM 330 N GLN A 42 48.573 10.127 6.126 1.00 22.95 N ATOM 331 CA GLN A 42 47.224 9.629 5.904 1.00 25.24 C ATOM 332 C GLN A 42 46.225 10.484 6.689 1.00 25.24 C ATOM 333 O GLN A 42 45.178 10.864 6.164 1.00 26.96 O ATOM 334 CB GLN A 42 47.107 8.164 6.315 1.00 27.68 C ATOM 335 CG GLN A 42 45.735 7.577 6.052 1.00 31.38 C ATOM 336 CD GLN A 42 45.364 7.629 4.586 1.00 31.96 C ATOM 337 OE1 GLN A 42 46.192 7.335 3.725 1.00 34.27 O ATOM 338 NE2 GLN A 42 44.124 8.005 4.295 1.00 29.46 N ATOM 339 N ASP A 43 46.556 10.790 7.943 1.00 22.51 N ATOM 340 CA ASP A 43 45.700 11.631 8.778 1.00 21.04 C ATOM 341 C ASP A 43 45.442 12.983 8.117 1.00 20.89 C ATOM 342 O ASP A 43 44.334 13.513 8.193 1.00 23.78 O ATOM 343 CB ASP A 43 46.339 11.894 10.150 1.00 23.42 C ATOM 344 CG ASP A 43 46.002 10.832 11.191 1.00 29.45 C ATOM 345 OD1 ASP A 43 45.695 9.678 10.823 1.00 36.58 O ATOM 346 OD2 ASP A 43 46.041 11.069 12.418 1.00 33.56 O ATOM 347 N LEU A 44 46.472 13.553 7.494 1.00 20.72 N ATOM 348 CA LEU A 44 46.335 14.867 6.871 1.00 19.60 C ATOM 349 C LEU A 44 45.405 14.780 5.680 1.00 18.12 C ATOM 350 O LEU A 44 44.612 15.687 5.429 1.00 12.96 O ATOM 351 CB LEU A 44 47.689 15.440 6.442 1.00 20.91 C ATOM 352 CG LEU A 44 47.628 16.872 5.893 1.00 24.97 C ATOM 353 CD1 LEU A 44 47.148 17.839 6.968 1.00 26.53 C ATOM 354 CD2 LEU A 44 48.970 17.316 5.328 1.00 28.87 C ATOM 355 N MET A 45 45.505 13.683 4.941 1.00 17.42 N ATOM 356 CA MET A 45 44.621 13.487 3.809 1.00 18.43 C ATOM 357 C MET A 45 43.188 13.374 4.313 1.00 16.98 C ATOM 358 O MET A 45 42.273 13.945 3.725 1.00 16.73 O ATOM 359 CB MET A 45 45.019 12.252 2.994 1.00 18.27 C ATOM 360 CG MET A 45 46.309 12.431 2.200 1.00 24.46 C ATOM 361 SD MET A 45 46.507 11.296 0.801 1.00 25.27 S ATOM 362 CE MET A 45 46.654 9.707 1.630 1.00 32.03 C ATOM 363 N CYS A 46 42.997 12.661 5.418 1.00 17.33 N ATOM 364 CA CYS A 46 41.653 12.469 5.952 1.00 19.00 C ATOM 365 C CYS A 46 41.102 13.774 6.511 1.00 19.49 C ATOM 366 O CYS A 46 39.891 14.002 6.491 1.00 16.67 O ATOM 367 CB CYS A 46 41.619 11.336 6.979 1.00 18.39 C ATOM 368 SG CYS A 46 41.745 9.700 6.224 1.00 22.46 S ATOM 369 N TYR A 47 42.003 14.628 6.996 1.00 18.96 N ATOM 370 CA TYR A 47 41.635 15.971 7.437 1.00 15.11 C ATOM 371 C TYR A 47 40.987 16.739 6.276 1.00 13.23 C ATOM 372 O TYR A 47 39.979 17.415 6.472 1.00 15.82 O ATOM 373 CB TYR A 47 42.852 16.747 8.001 1.00 15.17 C ATOM 374 CG TYR A 47 42.619 18.250 8.141 1.00 23.26 C ATOM 375 CD1 TYR A 47 41.919 18.772 9.225 1.00 22.51 C ATOM 376 CD2 TYR A 47 43.088 19.143 7.180 1.00 28.05 C ATOM 377 CE1 TYR A 47 41.692 20.139 9.348 1.00 23.52 C ATOM 378 CE2 TYR A 47 42.864 20.512 7.296 1.00 22.91 C ATOM 379 CZ TYR A 47 42.166 21.002 8.382 1.00 29.27 C ATOM 380 OH TYR A 47 41.938 22.354 8.507 1.00 25.84 O ATOM 381 N THR A 48 41.550 16.628 5.069 1.00 15.27 N ATOM 382 CA THR A 48 40.994 17.343 3.910 1.00 14.98 C ATOM 383 C THR A 48 39.604 16.845 3.530 1.00 13.55 C ATOM 384 O THR A 48 38.767 17.619 3.067 1.00 12.31 O ATOM 385 CB THR A 48 41.931 17.310 2.669 1.00 15.45 C ATOM 386 OG1 THR A 48 42.176 15.957 2.266 1.00 17.80 O ATOM 387 CG2 THR A 48 43.311 17.857 3.004 1.00 18.17 C ATOM 388 N LYS A 49 39.364 15.552 3.711 1.00 15.37 N ATOM 389 CA LYS A 49 38.047 14.997 3.446 1.00 14.52 C ATOM 390 C LYS A 49 37.066 15.566 4.457 1.00 15.17 C ATOM 391 O LYS A 49 35.955 15.968 4.106 1.00 16.31 O ATOM 392 CB LYS A 49 38.071 13.471 3.556 1.00 17.46 C ATOM 393 CG LYS A 49 36.724 12.801 3.305 1.00 14.00 C ATOM 394 CD LYS A 49 36.822 11.288 3.475 1.00 25.23 C ATOM 395 CE LYS A 49 35.452 10.628 3.406 1.00 32.19 C ATOM 396 NZ LYS A 49 35.453 9.240 3.956 1.00 30.06 N ATOM 397 N CYS A 50 37.489 15.599 5.717 1.00 19.07 N ATOM 398 CA CYS A 50 36.645 16.094 6.793 1.00 17.63 C ATOM 399 C CYS A 50 36.255 17.527 6.482 1.00 19.42 C ATOM 400 O CYS A 50 35.084 17.896 6.559 1.00 19.47 O ATOM 401 CB CYS A 50 37.371 15.998 8.138 1.00 19.81 C ATOM 402 SG CYS A 50 36.462 16.696 9.534 1.00 27.47 S ATOM 403 N VAL A 51 37.246 18.326 6.106 1.00 19.72 N ATOM 404 CA VAL A 51 37.006 19.716 5.758 1.00 17.91 C ATOM 405 C VAL A 51 36.027 19.833 4.600 1.00 19.66 C ATOM 406 O VAL A 51 35.150 20.696 4.603 1.00 18.02 O ATOM 407 CB VAL A 51 38.310 20.424 5.377 1.00 22.71 C ATOM 408 CG1 VAL A 51 38.017 21.687 4.584 1.00 26.10 C ATOM 409 CG2 VAL A 51 39.116 20.735 6.623 1.00 19.80 C ATOM 410 N SER A 52 36.169 18.957 3.613 1.00 17.41 N ATOM 411 CA SER A 52 35.305 19.019 2.444 1.00 16.92 C ATOM 412 C SER A 52 33.870 18.579 2.741 1.00 17.47 C ATOM 413 O SER A 52 32.923 19.184 2.243 1.00 17.52 O ATOM 414 CB SER A 52 35.915 18.256 1.268 1.00 15.13 C ATOM 415 OG SER A 52 37.068 18.929 0.789 1.00 18.73 O ATOM 416 N LEU A 53 33.710 17.537 3.554 1.00 19.48 N ATOM 417 CA LEU A 53 32.377 17.081 3.939 1.00 22.70 C ATOM 418 C LEU A 53 31.667 18.221 4.653 1.00 23.56 C ATOM 419 O LEU A 53 30.523 18.553 4.344 1.00 22.82 O ATOM 420 CB LEU A 53 32.465 15.853 4.840 1.00 21.71 C ATOM 421 CG LEU A 53 32.843 14.572 4.100 1.00 18.91 C ATOM 422 CD1 LEU A 53 33.239 13.495 5.087 1.00 23.52 C ATOM 423 CD2 LEU A 53 31.694 14.109 3.217 1.00 23.34 C ATOM 424 N MET A 54 32.378 18.824 5.599 1.00 25.70 N ATOM 425 CA MET A 54 31.891 19.977 6.341 1.00 29.52 C ATOM 426 C MET A 54 31.428 21.088 5.393 1.00 28.94 C ATOM 427 O MET A 54 30.352 21.658 5.575 1.00 28.85 O ATOM 428 CB MET A 54 32.994 20.481 7.269 1.00 29.51 C ATOM 429 CG MET A 54 32.519 21.403 8.358 1.00 39.40 C ATOM 430 SD MET A 54 33.498 21.206 9.847 1.00 44.31 S ATOM 431 CE MET A 54 32.718 22.387 10.868 1.00 48.18 C ATOM 432 N ALA A 55 32.239 21.385 4.380 1.00 31.42 N ATOM 433 CA ALA A 55 31.881 22.385 3.376 1.00 29.60 C ATOM 434 C ALA A 55 30.778 21.862 2.465 1.00 29.01 C ATOM 435 O ALA A 55 30.057 22.636 1.838 1.00 31.18 O ATOM 436 CB ALA A 55 33.091 22.766 2.549 1.00 30.28 C ATOM 437 N GLY A 56 30.676 20.543 2.364 1.00 27.36 N ATOM 438 CA GLY A 56 29.623 19.934 1.574 1.00 24.20 C ATOM 439 C GLY A 56 29.888 19.708 0.096 1.00 24.75 C ATOM 440 O GLY A 56 28.947 19.490 -0.661 1.00 23.92 O ATOM 441 N THR A 57 31.154 19.714 -0.314 1.00 19.08 N ATOM 442 CA THR A 57 31.504 19.579 -1.731 1.00 21.04 C ATOM 443 C THR A 57 31.966 18.192 -2.157 1.00 18.71 C ATOM 444 O THR A 57 32.327 17.985 -3.314 1.00 17.89 O ATOM 445 CB THR A 57 32.615 20.567 -2.085 1.00 22.29 C ATOM 446 OG1 THR A 57 33.621 20.524 -1.066 1.00 23.50 O ATOM 447 CG2 THR A 57 32.100 21.991 -2.023 1.00 27.82 C ATOM 448 N VAL A 58 32.008 17.257 -1.220 1.00 16.11 N ATOM 449 CA VAL A 58 32.362 15.886 -1.554 1.00 19.55 C ATOM 450 C VAL A 58 31.370 14.964 -0.863 1.00 17.71 C ATOM 451 O VAL A 58 30.637 15.393 0.026 1.00 16.72 O ATOM 452 CB VAL A 58 33.808 15.523 -1.124 1.00 18.26 C ATOM 453 CG1 VAL A 58 34.834 16.423 -1.818 1.00 16.84 C ATOM 454 CG2 VAL A 58 33.956 15.583 0.390 1.00 15.34 C ATOM 455 N ASN A 59 31.313 13.709 -1.295 1.00 16.33 N ATOM 456 CA ASN A 59 30.479 12.729 -0.614 1.00 17.01 C ATOM 457 C ASN A 59 31.389 11.855 0.246 1.00 17.84 C ATOM 458 O ASN A 59 32.605 12.042 0.230 1.00 14.02 O ATOM 459 CB ASN A 59 29.636 11.914 -1.599 1.00 16.24 C ATOM 460 CG ASN A 59 30.471 11.044 -2.517 1.00 20.48 C ATOM 461 OD1 ASN A 59 31.658 10.819 -2.281 1.00 18.41 O ATOM 462 ND2 ASN A 59 29.845 10.541 -3.574 1.00 17.89 N ATOM 463 N LYS A 60 30.827 10.910 0.992 1.00 16.44 N ATOM 464 CA LYS A 60 31.654 10.108 1.898 1.00 19.13 C ATOM 465 C LYS A 60 32.652 9.167 1.206 1.00 19.28 C ATOM 466 O LYS A 60 33.590 8.683 1.837 1.00 20.48 O ATOM 467 CB LYS A 60 30.805 9.397 2.962 1.00 20.16 C ATOM 468 CG LYS A 60 30.106 10.380 3.901 1.00 23.51 C ATOM 469 CD LYS A 60 29.669 9.764 5.225 1.00 35.43 C ATOM 470 CE LYS A 60 29.459 10.871 6.258 1.00 45.67 C ATOM 471 NZ LYS A 60 28.758 10.448 7.504 1.00 52.19 N ATOM 472 N LYS A 61 32.463 8.926 -0.088 1.00 16.87 N ATOM 473 CA LYS A 61 33.425 8.135 -0.852 1.00 15.34 C ATOM 474 C LYS A 61 34.555 9.018 -1.379 1.00 15.17 C ATOM 475 O LYS A 61 35.440 8.546 -2.091 1.00 13.79 O ATOM 476 CB LYS A 61 32.749 7.427 -2.025 1.00 16.49 C ATOM 477 CG LYS A 61 31.757 6.358 -1.619 1.00 20.19 C ATOM 478 CD LYS A 61 31.277 5.556 -2.819 1.00 28.35 C ATOM 479 CE LYS A 61 30.267 6.335 -3.646 1.00 29.41 C ATOM 480 NZ LYS A 61 29.545 5.459 -4.611 1.00 34.92 N ATOM 481 N GLY A 62 34.511 10.303 -1.048 1.00 16.51 N ATOM 482 CA GLY A 62 35.560 11.221 -1.449 1.00 13.88 C ATOM 483 C GLY A 62 35.389 11.776 -2.846 1.00 14.05 C ATOM 484 O GLY A 62 36.279 12.443 -3.372 1.00 15.51 O ATOM 485 N GLU A 63 34.241 11.510 -3.453 1.00 14.97 N ATOM 486 CA GLU A 63 34.004 11.985 -4.804 1.00 16.42 C ATOM 487 C GLU A 63 33.574 13.448 -4.787 1.00 17.45 C ATOM 488 O GLU A 63 32.670 13.836 -4.049 1.00 16.20 O ATOM 489 CB GLU A 63 32.988 11.088 -5.522 1.00 21.74 C ATOM 490 CG GLU A 63 33.443 9.636 -5.610 1.00 21.26 C ATOM 491 CD GLU A 63 32.367 8.687 -6.108 1.00 31.27 C ATOM 492 OE1 GLU A 63 31.199 8.824 -5.688 1.00 29.41 O ATOM 493 OE2 GLU A 63 32.696 7.790 -6.914 1.00 36.23 O ATOM 494 N PHE A 64 34.255 14.259 -5.587 1.00 19.10 N ATOM 495 CA PHE A 64 33.956 15.679 -5.686 1.00 17.47 C ATOM 496 C PHE A 64 32.653 15.935 -6.453 1.00 18.51 C ATOM 497 O PHE A 64 32.424 15.349 -7.510 1.00 17.77 O ATOM 498 CB PHE A 64 35.119 16.402 -6.364 1.00 19.26 C ATOM 499 CG PHE A 64 34.946 17.880 -6.424 1.00 13.85 C ATOM 500 CD1 PHE A 64 34.686 18.598 -5.272 1.00 14.66 C ATOM 501 CD2 PHE A 64 35.028 18.555 -7.629 1.00 26.63 C ATOM 502 CE1 PHE A 64 34.516 19.960 -5.315 1.00 23.04 C ATOM 503 CE2 PHE A 64 34.859 19.921 -7.679 1.00 29.68 C ATOM 504 CZ PHE A 64 34.602 20.625 -6.520 1.00 17.94 C ATOM 505 N ASN A 65 31.805 16.807 -5.910 1.00 19.96 N ATOM 506 CA ASN A 65 30.532 17.173 -6.535 1.00 22.05 C ATOM 507 C ASN A 65 30.668 18.532 -7.228 1.00 17.54 C ATOM 508 O ASN A 65 30.357 19.569 -6.642 1.00 16.48 O ATOM 509 CB ASN A 65 29.428 17.218 -5.470 1.00 22.04 C ATOM 510 CG ASN A 65 28.026 17.230 -6.061 1.00 26.65 C ATOM 511 OD1 ASN A 65 27.788 17.806 -7.122 1.00 20.72 O ATOM 512 ND2 ASN A 65 27.088 16.601 -5.361 1.00 22.14 N ATOM 513 N ALA A 66 31.142 18.521 -8.473 1.00 16.22 N ATOM 514 CA ALA A 66 31.356 19.758 -9.227 1.00 20.25 C ATOM 515 C ALA A 66 30.113 20.645 -9.365 1.00 18.46 C ATOM 516 O ALA A 66 30.187 21.844 -9.103 1.00 14.88 O ATOM 517 CB ALA A 66 31.983 19.470 -10.593 1.00 18.50 C ATOM 518 N PRO A 67 28.979 20.085 -9.784 1.00 20.69 N ATOM 519 CA PRO A 67 27.766 20.896 -9.910 1.00 19.79 C ATOM 520 C PRO A 67 27.389 21.566 -8.589 1.00 20.33 C ATOM 521 O PRO A 67 27.126 22.769 -8.594 1.00 21.17 O ATOM 522 CB PRO A 67 26.713 19.883 -10.366 1.00 19.24 C ATOM 523 CG PRO A 67 27.517 18.829 -11.066 1.00 21.38 C ATOM 524 CD PRO A 67 28.751 18.691 -10.209 1.00 20.32 C ATOM 525 N LYS A 68 27.394 20.825 -7.482 1.00 20.32 N ATOM 526 CA LYS A 68 27.034 21.419 -6.196 1.00 23.03 C ATOM 527 C LYS A 68 27.998 22.541 -5.841 1.00 24.88 C ATOM 528 O LYS A 68 27.581 23.622 -5.431 1.00 25.11 O ATOM 529 CB LYS A 68 26.987 20.387 -5.060 1.00 23.24 C ATOM 530 CG LYS A 68 26.721 21.044 -3.702 1.00 29.30 C ATOM 531 CD LYS A 68 26.542 20.075 -2.540 1.00 36.90 C ATOM 532 CE LYS A 68 26.136 20.855 -1.286 1.00 34.06 C ATOM 533 NZ LYS A 68 26.525 20.199 -0.006 1.00 42.77 N ATOM 534 N ALA A 69 29.288 22.282 -6.011 1.00 23.12 N ATOM 535 CA ALA A 69 30.298 23.283 -5.711 1.00 24.88 C ATOM 536 C ALA A 69 30.096 24.532 -6.557 1.00 24.91 C ATOM 537 O ALA A 69 30.158 25.651 -6.049 1.00 25.15 O ATOM 538 CB ALA A 69 31.689 22.717 -5.934 1.00 24.06 C ATOM 539 N LEU A 70 29.854 24.335 -7.850 1.00 26.05 N ATOM 540 CA LEU A 70 29.684 25.456 -8.765 1.00 27.27 C ATOM 541 C LEU A 70 28.450 26.254 -8.390 1.00 31.06 C ATOM 542 O LEU A 70 28.428 27.477 -8.516 1.00 33.36 O ATOM 543 CB LEU A 70 29.573 24.979 -10.219 1.00 27.37 C ATOM 544 CG LEU A 70 30.843 24.516 -10.941 1.00 26.99 C ATOM 545 CD1 LEU A 70 30.517 23.931 -12.317 1.00 23.15 C ATOM 546 CD2 LEU A 70 31.862 25.647 -11.056 1.00 30.27 C ATOM 547 N ALA A 71 27.421 25.555 -7.929 1.00 30.33 N ATOM 548 CA ALA A 71 26.178 26.212 -7.557 1.00 31.80 C ATOM 549 C ALA A 71 26.364 26.971 -6.255 1.00 33.95 C ATOM 550 O ALA A 71 25.946 28.119 -6.125 1.00 34.64 O ATOM 551 CB ALA A 71 25.054 25.194 -7.429 1.00 31.41 C ATOM 552 N GLN A 72 27.024 26.323 -5.304 1.00 32.09 N ATOM 553 CA GLN A 72 27.237 26.888 -3.978 1.00 31.65 C ATOM 554 C GLN A 72 28.344 27.933 -3.857 1.00 29.55 C ATOM 555 O GLN A 72 28.526 28.495 -2.781 1.00 28.68 O ATOM 556 CB GLN A 72 27.553 25.759 -2.993 1.00 33.16 C ATOM 557 CG GLN A 72 26.345 25.099 -2.372 1.00 37.27 C ATOM 558 CD GLN A 72 25.799 25.890 -1.202 1.00 44.40 C ATOM 559 OE1 GLN A 72 24.875 26.686 -1.363 1.00 42.20 O ATOM 560 NE2 GLN A 72 26.371 25.677 -0.023 1.00 44.65 N ATOM 561 N LEU A 73 29.080 28.208 -4.932 1.00 28.60 N ATOM 562 CA LEU A 73 30.237 29.110 -4.825 1.00 29.07 C ATOM 563 C LEU A 73 30.017 30.421 -4.060 1.00 30.31 C ATOM 564 O LEU A 73 30.849 30.798 -3.235 1.00 30.57 O ATOM 565 CB LEU A 73 30.889 29.379 -6.186 1.00 28.13 C ATOM 566 CG LEU A 73 32.044 28.448 -6.558 1.00 36.50 C ATOM 567 CD1 LEU A 73 32.823 29.038 -7.717 1.00 37.62 C ATOM 568 CD2 LEU A 73 32.962 28.203 -5.365 1.00 31.43 C ATOM 569 N PRO A 74 28.910 31.109 -4.325 1.00 32.16 N ATOM 570 CA PRO A 74 28.608 32.375 -3.645 1.00 33.76 C ATOM 571 C PRO A 74 28.565 32.252 -2.122 1.00 33.21 C ATOM 572 O PRO A 74 28.812 33.232 -1.419 1.00 31.29 O ATOM 573 CB PRO A 74 27.222 32.731 -4.182 1.00 34.77 C ATOM 574 CG PRO A 74 27.150 32.042 -5.498 1.00 33.21 C ATOM 575 CD PRO A 74 27.865 30.744 -5.297 1.00 31.17 C ATOM 576 N HIS A 75 28.248 31.065 -1.621 1.00 32.95 N ATOM 577 CA HIS A 75 28.200 30.847 -0.182 1.00 31.06 C ATOM 578 C HIS A 75 29.425 30.115 0.297 1.00 29.74 C ATOM 579 O HIS A 75 29.473 29.617 1.420 1.00 30.54 O ATOM 580 CB HIS A 75 26.949 30.077 0.202 1.00 33.22 C ATOM 581 CG HIS A 75 25.715 30.910 0.140 1.00 33.57 C ATOM 582 ND1 HIS A 75 24.447 30.383 0.247 1.00 35.87 N ATOM 583 CD2 HIS A 75 25.559 32.244 -0.025 1.00 36.35 C ATOM 584 CE1 HIS A 75 23.562 31.360 0.152 1.00 39.48 C ATOM 585 NE2 HIS A 75 24.211 32.498 -0.013 1.00 37.98 N ATOM 586 N LEU A 76 30.428 30.052 -0.561 1.00 27.81 N ATOM 587 CA LEU A 76 31.641 29.362 -0.187 1.00 27.97 C ATOM 588 C LEU A 76 32.842 30.289 -0.129 1.00 28.40 C ATOM 589 O LEU A 76 33.640 30.212 0.798 1.00 33.55 O ATOM 590 CB LEU A 76 31.886 28.182 -1.121 1.00 25.49 C ATOM 591 CG LEU A 76 30.898 27.040 -0.877 1.00 28.48 C ATOM 592 CD1 LEU A 76 31.093 25.955 -1.914 1.00 31.27 C ATOM 593 CD2 LEU A 76 31.033 26.481 0.542 1.00 28.63 C ATOM 594 N VAL A 77 32.962 31.181 -1.103 1.00 27.69 N ATOM 595 CA VAL A 77 34.099 32.086 -1.145 1.00 28.29 C ATOM 596 C VAL A 77 33.648 33.524 -1.345 1.00 29.89 C ATOM 597 O VAL A 77 32.556 33.764 -1.857 1.00 31.15 O ATOM 598 CB VAL A 77 35.011 31.732 -2.319 1.00 26.95 C ATOM 599 CG1 VAL A 77 35.561 30.324 -2.160 1.00 28.62 C ATOM 600 CG2 VAL A 77 34.242 31.865 -3.624 1.00 27.40 C ATOM 601 N PRO A 78 34.482 34.480 -0.939 1.00 32.18 N ATOM 602 CA PRO A 78 34.190 35.899 -1.175 1.00 35.14 C ATOM 603 C PRO A 78 34.160 36.172 -2.682 1.00 37.66 C ATOM 604 O PRO A 78 34.712 35.381 -3.449 1.00 37.16 O ATOM 605 CB PRO A 78 35.361 36.621 -0.499 1.00 36.19 C ATOM 606 CG PRO A 78 35.950 35.618 0.440 1.00 35.64 C ATOM 607 CD PRO A 78 35.745 34.284 -0.207 1.00 32.30 C ATOM 608 N PRO A 79 33.548 37.279 -3.095 1.00 39.72 N ATOM 609 CA PRO A 79 33.301 37.550 -4.518 1.00 39.75 C ATOM 610 C PRO A 79 34.569 37.635 -5.355 1.00 40.82 C ATOM 611 O PRO A 79 34.558 37.288 -6.538 1.00 42.39 O ATOM 612 CB PRO A 79 32.579 38.901 -4.498 1.00 41.90 C ATOM 613 CG PRO A 79 32.046 39.026 -3.107 1.00 38.76 C ATOM 614 CD PRO A 79 33.073 38.374 -2.234 1.00 39.81 C ATOM 615 N GLU A 80 35.650 38.093 -4.739 1.00 40.20 N ATOM 616 CA GLU A 80 36.919 38.231 -5.434 1.00 39.74 C ATOM 617 C GLU A 80 37.652 36.897 -5.571 1.00 37.41 C ATOM 618 O GLU A 80 38.746 36.844 -6.128 1.00 35.81 O ATOM 619 CB GLU A 80 37.811 39.256 -4.725 1.00 40.11 C ATOM 620 CG GLU A 80 38.262 38.855 -3.326 1.00 45.65 C ATOM 621 CD GLU A 80 37.355 39.381 -2.226 1.00 55.45 C ATOM 622 OE1 GLU A 80 37.845 39.563 -1.092 1.00 62.52 O ATOM 623 OE2 GLU A 80 36.156 39.611 -2.488 1.00 60.91 O ATOM 624 N MET A 81 37.059 35.825 -5.056 1.00 34.94 N ATOM 625 CA MET A 81 37.667 34.502 -5.178 1.00 33.38 C ATOM 626 C MET A 81 36.804 33.586 -6.040 1.00 31.51 C ATOM 627 O MET A 81 37.189 32.459 -6.350 1.00 28.08 O ATOM 628 CB MET A 81 37.938 33.895 -3.801 1.00 31.37 C ATOM 629 CG MET A 81 39.030 34.633 -3.045 1.00 37.52 C ATOM 630 SD MET A 81 39.219 34.119 -1.336 1.00 42.85 S ATOM 631 CE MET A 81 39.809 32.490 -1.556 1.00 29.04 C ATOM 632 N MET A 82 35.653 34.114 -6.447 1.00 29.23 N ATOM 633 CA MET A 82 34.668 33.395 -7.252 1.00 29.38 C ATOM 634 C MET A 82 35.222 32.828 -8.551 1.00 27.04 C ATOM 635 O MET A 82 35.263 31.612 -8.743 1.00 26.09 O ATOM 636 CB MET A 82 33.495 34.323 -7.582 1.00 29.42 C ATOM 637 CG MET A 82 32.567 34.598 -6.415 1.00 35.33 C ATOM 638 SD MET A 82 31.573 33.165 -5.975 1.00 50.69 S ATOM 639 CE MET A 82 30.182 33.390 -7.051 1.00 52.59 C ATOM 640 N GLU A 83 35.626 33.724 -9.447 1.00 27.11 N ATOM 641 CA GLU A 83 36.135 33.334 -10.756 1.00 25.16 C ATOM 642 C GLU A 83 37.275 32.345 -10.671 1.00 23.82 C ATOM 643 O GLU A 83 37.302 31.349 -11.392 1.00 24.83 O ATOM 644 CB GLU A 83 36.590 34.557 -11.550 1.00 25.90 C ATOM 645 CG GLU A 83 35.537 35.083 -12.506 1.00 31.55 C ATOM 646 CD GLU A 83 34.990 34.002 -13.421 1.00 35.41 C ATOM 647 OE1 GLU A 83 33.851 33.543 -13.189 1.00 35.98 O ATOM 648 OE2 GLU A 83 35.695 33.614 -14.375 1.00 39.17 O ATOM 649 N MET A 84 38.231 32.625 -9.802 1.00 25.82 N ATOM 650 CA MET A 84 39.356 31.729 -9.686 1.00 28.04 C ATOM 651 C MET A 84 38.863 30.400 -9.145 1.00 26.79 C ATOM 652 O MET A 84 39.321 29.340 -9.566 1.00 26.80 O ATOM 653 CB MET A 84 40.418 32.299 -8.762 1.00 28.62 C ATOM 654 CG MET A 84 41.365 31.235 -8.284 1.00 36.70 C ATOM 655 SD MET A 84 41.517 31.254 -6.508 1.00 49.63 S ATOM 656 CE MET A 84 41.238 29.526 -6.160 1.00 34.99 C ATOM 657 N SER A 85 37.919 30.455 -8.213 1.00 24.08 N ATOM 658 CA SER A 85 37.404 29.229 -7.625 1.00 26.68 C ATOM 659 C SER A 85 36.689 28.401 -8.688 1.00 24.25 C ATOM 660 O SER A 85 36.886 27.190 -8.773 1.00 24.17 O ATOM 661 CB SER A 85 36.504 29.525 -6.424 1.00 24.81 C ATOM 662 OG SER A 85 37.283 29.953 -5.318 1.00 27.53 O ATOM 663 N ARG A 86 35.901 29.072 -9.522 1.00 23.50 N ATOM 664 CA ARG A 86 35.131 28.422 -10.581 1.00 19.71 C ATOM 665 C ARG A 86 36.005 27.686 -11.601 1.00 22.50 C ATOM 666 O ARG A 86 35.692 26.564 -12.005 1.00 20.29 O ATOM 667 CB ARG A 86 34.253 29.463 -11.290 1.00 23.16 C ATOM 668 CG ARG A 86 33.438 28.939 -12.466 1.00 20.06 C ATOM 669 CD ARG A 86 32.707 30.029 -13.256 1.00 31.77 C ATOM 670 NE ARG A 86 33.640 30.882 -13.987 1.00 32.83 N ATOM 671 CZ ARG A 86 34.310 30.497 -15.065 1.00 34.79 C ATOM 672 NH1 ARG A 86 34.145 29.273 -15.549 1.00 33.15 N ATOM 673 NH2 ARG A 86 35.145 31.334 -15.665 1.00 29.75 N ATOM 674 N LYS A 87 37.092 28.331 -12.016 1.00 21.27 N ATOM 675 CA LYS A 87 38.018 27.751 -12.986 1.00 23.38 C ATOM 676 C LYS A 87 38.748 26.537 -12.398 1.00 20.08 C ATOM 677 O LYS A 87 38.883 25.508 -13.060 1.00 20.68 O ATOM 678 CB LYS A 87 39.007 28.813 -13.484 1.00 22.31 C ATOM 679 CG LYS A 87 38.358 29.977 -14.242 1.00 26.55 C ATOM 680 CD LYS A 87 39.277 31.196 -14.273 1.00 32.41 C ATOM 681 CE LYS A 87 38.647 32.366 -15.018 1.00 43.33 C ATOM 682 NZ LYS A 87 39.584 33.517 -15.172 1.00 39.41 N ATOM 683 N SER A 88 39.212 26.661 -11.155 1.00 22.35 N ATOM 684 CA SER A 88 39.839 25.543 -10.445 1.00 24.02 C ATOM 685 C SER A 88 38.892 24.347 -10.340 1.00 24.10 C ATOM 686 O SER A 88 39.304 23.204 -10.542 1.00 21.97 O ATOM 687 CB SER A 88 40.288 25.965 -9.046 1.00 25.85 C ATOM 688 OG SER A 88 41.461 26.756 -9.100 1.00 34.96 O ATOM 689 N VAL A 89 37.632 24.605 -9.999 1.00 23.56 N ATOM 690 CA VAL A 89 36.639 23.538 -9.995 1.00 22.58 C ATOM 691 C VAL A 89 36.562 22.962 -11.403 1.00 25.61 C ATOM 692 O VAL A 89 36.479 21.748 -11.582 1.00 24.59 O ATOM 693 CB VAL A 89 35.233 24.029 -9.578 1.00 21.34 C ATOM 694 CG1 VAL A 89 34.179 22.962 -9.878 1.00 22.29 C ATOM 695 CG2 VAL A 89 35.208 24.400 -8.106 1.00 22.12 C ATOM 696 N GLU A 90 36.618 23.830 -12.407 1.00 25.37 N ATOM 697 CA GLU A 90 36.455 23.357 -13.774 1.00 25.25 C ATOM 698 C GLU A 90 37.657 22.488 -14.158 1.00 26.16 C ATOM 699 O GLU A 90 37.495 21.439 -14.775 1.00 21.54 O ATOM 700 CB GLU A 90 36.181 24.513 -14.748 1.00 24.86 C ATOM 701 CG GLU A 90 35.270 24.165 -15.927 1.00 34.69 C ATOM 702 CD GLU A 90 33.903 23.621 -15.529 1.00 30.54 C ATOM 703 OE1 GLU A 90 33.753 22.383 -15.472 1.00 33.85 O ATOM 704 OE2 GLU A 90 32.970 24.423 -15.299 1.00 34.38 O ATOM 705 N ALA A 91 38.850 22.883 -13.727 1.00 22.61 N ATOM 706 CA ALA A 91 40.052 22.108 -14.032 1.00 20.41 C ATOM 707 C ALA A 91 40.254 20.841 -13.186 1.00 19.10 C ATOM 708 O ALA A 91 40.984 19.940 -13.592 1.00 16.49 O ATOM 709 CB ALA A 91 41.289 22.994 -13.950 1.00 20.91 C ATOM 710 N CYS A 92 39.607 20.751 -12.030 1.00 17.52 N ATOM 711 CA CYS A 92 39.872 19.627 -11.132 1.00 18.48 C ATOM 712 C CYS A 92 38.705 18.688 -10.878 1.00 19.49 C ATOM 713 O CYS A 92 38.790 17.808 -10.020 1.00 20.55 O ATOM 714 CB CYS A 92 40.369 20.169 -9.797 1.00 17.99 C ATOM 715 SG CYS A 92 41.850 21.169 -9.987 1.00 19.01 S ATOM 716 N ARG A 93 37.628 18.855 -11.634 1.00 17.75 N ATOM 717 CA ARG A 93 36.409 18.095 -11.378 1.00 19.04 C ATOM 718 C ARG A 93 36.546 16.578 -11.496 1.00 18.43 C ATOM 719 O ARG A 93 35.847 15.843 -10.799 1.00 21.51 O ATOM 720 CB ARG A 93 35.251 18.605 -12.249 1.00 20.20 C ATOM 721 CG ARG A 93 35.420 18.392 -13.751 1.00 22.55 C ATOM 722 CD ARG A 93 34.382 19.129 -14.606 1.00 32.33 C ATOM 723 NE ARG A 93 33.020 18.813 -14.180 1.00 33.76 N ATOM 724 CZ ARG A 93 31.993 19.659 -14.197 1.00 35.33 C ATOM 725 NH1 ARG A 93 32.138 20.905 -14.631 1.00 36.30 N ATOM 726 NH2 ARG A 93 30.805 19.248 -13.775 1.00 33.03 N ATOM 727 N ASP A 94 37.435 16.105 -12.364 1.00 17.64 N ATOM 728 CA ASP A 94 37.607 14.661 -12.536 1.00 20.69 C ATOM 729 C ASP A 94 38.843 14.073 -11.863 1.00 21.83 C ATOM 730 O ASP A 94 39.087 12.874 -11.963 1.00 20.21 O ATOM 731 CB ASP A 94 37.626 14.280 -14.016 1.00 22.27 C ATOM 732 CG ASP A 94 36.355 14.662 -14.727 1.00 25.50 C ATOM 733 OD1 ASP A 94 35.262 14.399 -14.183 1.00 24.54 O ATOM 734 OD2 ASP A 94 36.355 15.233 -15.835 1.00 32.15 O ATOM 735 N THR A 95 39.622 14.901 -11.183 1.00 18.67 N ATOM 736 CA THR A 95 40.824 14.413 -10.516 1.00 20.00 C ATOM 737 C THR A 95 40.612 13.198 -9.608 1.00 19.47 C ATOM 738 O THR A 95 41.433 12.279 -9.591 1.00 20.98 O ATOM 739 CB THR A 95 41.448 15.536 -9.678 1.00 21.43 C ATOM 740 OG1 THR A 95 41.799 16.634 -10.528 1.00 23.50 O ATOM 741 CG2 THR A 95 42.782 15.084 -9.101 1.00 22.38 C ATOM 742 N HIS A 96 39.526 13.201 -8.841 1.00 19.92 N ATOM 743 CA HIS A 96 39.286 12.134 -7.870 1.00 21.84 C ATOM 744 C HIS A 96 39.089 10.779 -8.527 1.00 24.52 C ATOM 745 O HIS A 96 39.194 9.742 -7.873 1.00 23.15 O ATOM 746 CB HIS A 96 38.077 12.460 -6.986 1.00 20.84 C ATOM 747 CG HIS A 96 36.765 12.409 -7.708 1.00 17.76 C ATOM 748 ND1 HIS A 96 36.232 13.501 -8.357 1.00 21.94 N ATOM 749 CD2 HIS A 96 35.879 11.399 -7.881 1.00 24.70 C ATOM 750 CE1 HIS A 96 35.076 13.168 -8.901 1.00 23.52 C ATOM 751 NE2 HIS A 96 34.838 11.897 -8.627 1.00 28.62 N ATOM 752 N LYS A 97 38.816 10.791 -9.826 1.00 23.90 N ATOM 753 CA LYS A 97 38.506 9.562 -10.540 1.00 23.82 C ATOM 754 C LYS A 97 39.713 8.623 -10.658 1.00 26.93 C ATOM 755 O LYS A 97 39.557 7.430 -10.913 1.00 26.94 O ATOM 756 CB LYS A 97 37.857 9.876 -11.899 1.00 23.46 C ATOM 757 CG LYS A 97 36.434 10.453 -11.772 1.00 22.93 C ATOM 758 CD LYS A 97 35.871 10.918 -13.111 1.00 23.36 C ATOM 759 CE LYS A 97 34.487 11.540 -12.964 1.00 33.59 C ATOM 760 NZ LYS A 97 33.896 11.820 -14.303 1.00 32.85 N ATOM 761 N GLN A 98 40.905 9.158 -10.411 1.00 25.83 N ATOM 762 CA GLN A 98 42.143 8.392 -10.545 1.00 29.09 C ATOM 763 C GLN A 98 42.641 7.809 -9.234 1.00 26.97 C ATOM 764 O GLN A 98 43.769 7.325 -9.155 1.00 27.45 O ATOM 765 CB GLN A 98 43.240 9.286 -11.119 1.00 28.63 C ATOM 766 CG GLN A 98 42.913 9.858 -12.478 1.00 41.02 C ATOM 767 CD GLN A 98 43.537 11.221 -12.706 1.00 51.04 C ATOM 768 OE1 GLN A 98 44.195 11.769 -11.821 1.00 53.10 O ATOM 769 NE2 GLN A 98 43.324 11.774 -13.893 1.00 58.03 N ATOM 770 N PHE A 99 41.819 7.867 -8.199 1.00 25.56 N ATOM 771 CA PHE A 99 42.241 7.364 -6.905 1.00 24.56 C ATOM 772 C PHE A 99 41.132 6.527 -6.307 1.00 24.63 C ATOM 773 O PHE A 99 39.956 6.754 -6.586 1.00 18.49 O ATOM 774 CB PHE A 99 42.655 8.522 -5.992 1.00 24.08 C ATOM 775 CG PHE A 99 43.811 9.318 -6.532 1.00 25.44 C ATOM 776 CD1 PHE A 99 43.597 10.404 -7.366 1.00 22.88 C ATOM 777 CD2 PHE A 99 45.115 8.956 -6.234 1.00 26.76 C ATOM 778 CE1 PHE A 99 44.661 11.123 -7.880 1.00 24.44 C ATOM 779 CE2 PHE A 99 46.183 9.672 -6.743 1.00 21.66 C ATOM 780 CZ PHE A 99 45.956 10.756 -7.567 1.00 22.14 C ATOM 781 N LYS A 100 41.502 5.546 -5.496 1.00 25.35 N ATOM 782 CA LYS A 100 40.504 4.660 -4.919 1.00 25.53 C ATOM 783 C LYS A 100 40.122 4.945 -3.470 1.00 23.82 C ATOM 784 O LYS A 100 39.010 4.628 -3.060 1.00 25.39 O ATOM 785 CB LYS A 100 40.950 3.200 -5.047 1.00 28.99 C ATOM 786 CG LYS A 100 41.280 2.774 -6.468 1.00 38.71 C ATOM 787 CD LYS A 100 41.538 1.276 -6.564 1.00 50.30 C ATOM 788 CE LYS A 100 41.977 0.879 -7.967 1.00 52.37 C ATOM 789 NZ LYS A 100 42.124 -0.597 -8.114 1.00 65.40 N ATOM 790 N GLU A 101 41.019 5.527 -2.684 1.00 22.24 N ATOM 791 CA GLU A 101 40.707 5.715 -1.269 1.00 21.17 C ATOM 792 C GLU A 101 40.089 7.086 -1.013 1.00 18.01 C ATOM 793 O GLU A 101 40.575 8.095 -1.522 1.00 15.50 O ATOM 794 CB GLU A 101 41.936 5.437 -0.396 1.00 22.59 C ATOM 795 CG GLU A 101 41.641 5.329 1.089 1.00 24.71 C ATOM 796 CD GLU A 101 41.762 6.663 1.790 1.00 19.32 C ATOM 797 OE1 GLU A 101 42.666 7.441 1.420 1.00 24.28 O ATOM 798 OE2 GLU A 101 40.957 6.934 2.704 1.00 22.72 O ATOM 799 N SER A 102 39.009 7.113 -0.234 1.00 19.26 N ATOM 800 CA SER A 102 38.241 8.342 -0.016 1.00 17.08 C ATOM 801 C SER A 102 39.072 9.541 0.433 1.00 17.30 C ATOM 802 O SER A 102 38.911 10.640 -0.097 1.00 12.80 O ATOM 803 CB SER A 102 37.056 8.108 0.932 1.00 17.66 C ATOM 804 OG SER A 102 37.482 7.887 2.264 1.00 18.72 O ATOM 805 N CYS A 103 39.962 9.333 1.397 1.00 15.41 N ATOM 806 CA CYS A 103 40.791 10.426 1.885 1.00 17.21 C ATOM 807 C CYS A 103 41.721 10.922 0.790 1.00 17.24 C ATOM 808 O CYS A 103 41.843 12.126 0.570 1.00 14.89 O ATOM 809 CB CYS A 103 41.589 10.003 3.116 1.00 16.37 C ATOM 810 SG CYS A 103 40.569 9.689 4.571 1.00 19.93 S ATOM 811 N GLU A 104 42.363 9.994 0.090 1.00 17.02 N ATOM 812 CA GLU A 104 43.280 10.381 -0.971 1.00 17.97 C ATOM 813 C GLU A 104 42.589 11.136 -2.106 1.00 16.02 C ATOM 814 O GLU A 104 43.105 12.139 -2.595 1.00 17.53 O ATOM 815 CB GLU A 104 44.035 9.184 -1.520 1.00 20.09 C ATOM 816 CG GLU A 104 45.071 9.621 -2.530 1.00 25.27 C ATOM 817 CD GLU A 104 46.153 8.597 -2.740 1.00 36.77 C ATOM 818 OE1 GLU A 104 47.337 8.965 -2.609 1.00 36.12 O ATOM 819 OE2 GLU A 104 45.818 7.433 -3.039 1.00 35.21 O ATOM 820 N ARG A 105 41.431 10.643 -2.530 1.00 17.76 N ATOM 821 CA ARG A 105 40.638 11.325 -3.546 1.00 15.06 C ATOM 822 C ARG A 105 40.450 12.807 -3.243 1.00 15.91 C ATOM 823 O ARG A 105 40.655 13.654 -4.114 1.00 14.80 O ATOM 824 CB ARG A 105 39.247 10.706 -3.637 1.00 17.83 C ATOM 825 CG ARG A 105 39.151 9.445 -4.450 1.00 21.09 C ATOM 826 CD ARG A 105 37.793 8.782 -4.344 1.00 20.74 C ATOM 827 NE ARG A 105 37.734 7.545 -5.112 1.00 25.14 N ATOM 828 CZ ARG A 105 36.690 6.730 -5.134 1.00 35.75 C ATOM 829 NH1 ARG A 105 35.604 7.014 -4.428 1.00 33.10 N ATOM 830 NH2 ARG A 105 36.732 5.626 -5.865 1.00 31.43 N ATOM 831 N VAL A 106 40.021 13.114 -2.020 1.00 14.59 N ATOM 832 CA VAL A 106 39.759 14.499 -1.644 1.00 15.24 C ATOM 833 C VAL A 106 41.058 15.263 -1.598 1.00 14.96 C ATOM 834 O VAL A 106 41.156 16.369 -2.131 1.00 13.38 O ATOM 835 CB VAL A 106 39.101 14.642 -0.259 1.00 13.77 C ATOM 836 CG1 VAL A 106 38.810 16.115 0.032 1.00 14.55 C ATOM 837 CG2 VAL A 106 37.835 13.815 -0.170 1.00 14.80 C ATOM 838 N TYR A 107 42.056 14.674 -0.947 1.00 13.50 N ATOM 839 CA TYR A 107 43.345 15.334 -0.855 1.00 15.77 C ATOM 840 C TYR A 107 43.863 15.673 -2.253 1.00 16.44 C ATOM 841 O TYR A 107 44.323 16.788 -2.493 1.00 17.24 O ATOM 842 CB TYR A 107 44.388 14.517 -0.071 1.00 14.50 C ATOM 843 CG TYR A 107 45.753 15.141 -0.230 1.00 11.44 C ATOM 844 CD1 TYR A 107 46.200 16.132 0.638 1.00 11.76 C ATOM 845 CD2 TYR A 107 46.563 14.796 -1.301 1.00 16.32 C ATOM 846 CE1 TYR A 107 47.439 16.733 0.456 1.00 18.61 C ATOM 847 CE2 TYR A 107 47.790 15.388 -1.491 1.00 18.73 C ATOM 848 CZ TYR A 107 48.228 16.353 -0.615 1.00 16.58 C ATOM 849 OH TYR A 107 49.461 16.928 -0.824 1.00 17.64 O ATOM 850 N GLN A 108 43.773 14.721 -3.178 1.00 14.71 N ATOM 851 CA GLN A 108 44.273 14.949 -4.531 1.00 15.87 C ATOM 852 C GLN A 108 43.489 16.051 -5.233 1.00 17.17 C ATOM 853 O GLN A 108 44.062 16.861 -5.962 1.00 15.09 O ATOM 854 CB GLN A 108 44.280 13.656 -5.347 1.00 14.01 C ATOM 855 CG GLN A 108 45.358 12.672 -4.908 1.00 16.91 C ATOM 856 CD GLN A 108 46.769 13.165 -5.195 1.00 25.57 C ATOM 857 OE1 GLN A 108 46.966 14.068 -6.008 1.00 27.09 O ATOM 858 NE2 GLN A 108 47.751 12.567 -4.529 1.00 20.92 N ATOM 859 N THR A 109 42.182 16.090 -5.000 1.00 15.35 N ATOM 860 CA THR A 109 41.349 17.126 -5.590 1.00 14.48 C ATOM 861 C THR A 109 41.763 18.486 -5.045 1.00 12.90 C ATOM 862 O THR A 109 41.895 19.452 -5.795 1.00 15.39 O ATOM 863 CB THR A 109 39.857 16.874 -5.290 1.00 13.86 C ATOM 864 OG1 THR A 109 39.437 15.655 -5.916 1.00 16.95 O ATOM 865 CG2 THR A 109 38.985 17.932 -5.961 1.00 11.53 C ATOM 866 N ALA A 110 41.973 18.558 -3.734 1.00 12.00 N ATOM 867 CA ALA A 110 42.342 19.817 -3.103 1.00 13.27 C ATOM 868 C ALA A 110 43.700 20.283 -3.611 1.00 13.77 C ATOM 869 O ALA A 110 43.888 21.461 -3.908 1.00 16.40 O ATOM 870 CB ALA A 110 42.338 19.686 -1.590 1.00 14.41 C ATOM 871 N LYS A 111 44.641 19.349 -3.716 1.00 13.06 N ATOM 872 CA LYS A 111 45.957 19.649 -4.263 1.00 15.61 C ATOM 873 C LYS A 111 45.758 20.287 -5.628 1.00 15.71 C ATOM 874 O LYS A 111 46.347 21.323 -5.935 1.00 14.23 O ATOM 875 CB LYS A 111 46.782 18.363 -4.391 1.00 13.69 C ATOM 876 CG LYS A 111 48.262 18.542 -4.734 1.00 14.19 C ATOM 877 CD LYS A 111 49.005 17.217 -4.544 1.00 21.22 C ATOM 878 CE LYS A 111 50.429 17.261 -5.077 1.00 30.54 C ATOM 879 NZ LYS A 111 51.276 18.204 -4.302 1.00 36.60 N ATOM 880 N CYS A 112 44.902 19.673 -6.439 1.00 16.16 N ATOM 881 CA CYS A 112 44.629 20.182 -7.775 1.00 16.09 C ATOM 882 C CYS A 112 44.087 21.616 -7.739 1.00 16.22 C ATOM 883 O CYS A 112 44.519 22.457 -8.528 1.00 15.60 O ATOM 884 CB CYS A 112 43.700 19.245 -8.545 1.00 17.52 C ATOM 885 SG CYS A 112 43.347 19.828 -10.210 1.00 18.65 S ATOM 886 N PHE A 113 43.155 21.899 -6.827 1.00 15.92 N ATOM 887 CA PHE A 113 42.656 23.265 -6.671 1.00 15.78 C ATOM 888 C PHE A 113 43.847 24.202 -6.444 1.00 16.64 C ATOM 889 O PHE A 113 43.955 25.249 -7.083 1.00 16.58 O ATOM 890 CB PHE A 113 41.691 23.399 -5.477 1.00 15.59 C ATOM 891 CG PHE A 113 40.351 22.718 -5.663 1.00 20.33 C ATOM 892 CD1 PHE A 113 39.904 22.326 -6.914 1.00 20.68 C ATOM 893 CD2 PHE A 113 39.532 22.482 -4.565 1.00 26.54 C ATOM 894 CE1 PHE A 113 38.670 21.703 -7.062 1.00 27.75 C ATOM 895 CE2 PHE A 113 38.302 21.862 -4.709 1.00 30.12 C ATOM 896 CZ PHE A 113 37.872 21.472 -5.958 1.00 21.25 C ATOM 897 N SER A 114 44.742 23.808 -5.537 1.00 16.83 N ATOM 898 CA SER A 114 45.904 24.625 -5.172 1.00 18.59 C ATOM 899 C SER A 114 46.840 24.908 -6.345 1.00 18.64 C ATOM 900 O SER A 114 47.381 26.008 -6.460 1.00 17.97 O ATOM 901 CB SER A 114 46.681 23.993 -4.008 1.00 19.60 C ATOM 902 OG SER A 114 47.479 22.905 -4.442 1.00 16.05 O ATOM 903 N GLU A 115 47.016 23.924 -7.222 1.00 17.42 N ATOM 904 CA GLU A 115 47.929 24.065 -8.353 1.00 20.08 C ATOM 905 C GLU A 115 47.305 24.846 -9.499 1.00 22.57 C ATOM 906 O GLU A 115 48.002 25.324 -10.394 1.00 22.12 O ATOM 907 CB GLU A 115 48.395 22.693 -8.847 1.00 20.17 C ATOM 908 CG GLU A 115 49.103 21.869 -7.784 1.00 18.82 C ATOM 909 CD GLU A 115 49.953 20.756 -8.367 1.00 21.29 C ATOM 910 OE1 GLU A 115 49.808 20.459 -9.571 1.00 19.57 O ATOM 911 OE2 GLU A 115 50.770 20.180 -7.620 1.00 18.11 O ATOM 912 N ASN A 116 45.987 24.977 -9.465 1.00 21.25 N ATOM 913 CA ASN A 116 45.282 25.672 -10.525 1.00 26.63 C ATOM 914 C ASN A 116 44.820 27.067 -10.135 1.00 28.30 C ATOM 915 O ASN A 116 44.222 27.781 -10.936 1.00 32.08 O ATOM 916 CB ASN A 116 44.128 24.815 -11.041 1.00 24.79 C ATOM 917 CG ASN A 116 44.597 23.776 -12.035 1.00 26.00 C ATOM 918 OD1 ASN A 116 44.637 24.033 -13.236 1.00 23.14 O ATOM 919 ND2 ASN A 116 44.990 22.608 -11.537 1.00 20.04 N ATOM 920 N ALA A 117 45.133 27.470 -8.912 1.00 30.12 N ATOM 921 CA ALA A 117 44.707 28.776 -8.439 1.00 33.34 C ATOM 922 C ALA A 117 45.387 29.943 -9.154 1.00 35.03 C ATOM 923 O ALA A 117 46.576 30.195 -8.961 1.00 34.84 O ATOM 924 CB ALA A 117 44.908 28.886 -6.934 1.00 33.12 C ATOM 925 N ASP A 118 44.628 30.646 -9.990 1.00 37.84 N ATOM 926 CA ASP A 118 45.122 31.876 -10.595 1.00 40.68 C ATOM 927 C ASP A 118 44.947 32.986 -9.562 1.00 40.19 C ATOM 928 O ASP A 118 44.059 33.832 -9.682 1.00 40.18 O ATOM 929 CB ASP A 118 44.353 32.221 -11.870 1.00 42.22 C ATOM 930 CG ASP A 118 44.938 33.422 -12.598 1.00 51.45 C ATOM 931 OD1 ASP A 118 45.648 34.230 -11.961 1.00 56.43 O ATOM 932 OD2 ASP A 118 44.740 33.638 -13.811 1.00 61.88 O ATOM 933 N GLY A 119 45.793 32.961 -8.538 1.00 37.99 N ATOM 934 CA GLY A 119 45.736 33.937 -7.468 1.00 38.42 C ATOM 935 C GLY A 119 45.770 33.268 -6.107 1.00 37.60 C ATOM 936 O GLY A 119 46.083 32.083 -5.995 1.00 33.75 O ATOM 937 N GLN A 120 45.435 34.038 -5.076 1.00 34.98 N ATOM 938 CA GLN A 120 45.425 33.574 -3.690 1.00 38.32 C ATOM 939 C GLN A 120 44.454 32.409 -3.465 1.00 34.39 C ATOM 940 O GLN A 120 43.288 32.481 -3.846 1.00 35.10 O ATOM 941 CB GLN A 120 45.056 34.747 -2.776 1.00 38.95 C ATOM 942 CG GLN A 120 45.340 34.543 -1.302 1.00 45.03 C ATOM 943 CD GLN A 120 44.985 35.764 -0.470 1.00 51.95 C ATOM 944 OE1 GLN A 120 43.976 36.423 -0.721 1.00 53.91 O ATOM 945 NE2 GLN A 120 45.811 36.067 0.521 1.00 55.52 N ATOM 946 N PHE A 121 44.944 31.339 -2.847 1.00 34.58 N ATOM 947 CA PHE A 121 44.125 30.166 -2.557 1.00 31.45 C ATOM 948 C PHE A 121 44.317 29.838 -1.087 1.00 30.35 C ATOM 949 O PHE A 121 45.433 29.924 -0.576 1.00 30.32 O ATOM 950 CB PHE A 121 44.550 28.986 -3.439 1.00 32.66 C ATOM 951 CG PHE A 121 43.874 27.683 -3.097 1.00 30.52 C ATOM 952 CD1 PHE A 121 44.568 26.681 -2.438 1.00 33.59 C ATOM 953 CD2 PHE A 121 42.553 27.452 -3.450 1.00 32.46 C ATOM 954 CE1 PHE A 121 43.957 25.480 -2.126 1.00 26.72 C ATOM 955 CE2 PHE A 121 41.937 26.251 -3.140 1.00 27.80 C ATOM 956 CZ PHE A 121 42.641 25.265 -2.477 1.00 25.73 C ATOM 957 N MET A 122 43.238 29.482 -0.398 1.00 28.24 N ATOM 958 CA MET A 122 43.331 29.164 1.024 1.00 27.29 C ATOM 959 C MET A 122 42.567 27.902 1.405 1.00 27.39 C ATOM 960 O MET A 122 41.580 27.540 0.767 1.00 29.53 O ATOM 961 CB MET A 122 42.841 30.335 1.871 1.00 29.86 C ATOM 962 CG MET A 122 43.432 31.673 1.492 1.00 27.18 C ATOM 963 SD MET A 122 42.691 32.968 2.482 1.00 34.69 S ATOM 964 CE MET A 122 42.461 34.200 1.264 1.00 35.54 C ATOM 965 N TRP A 123 43.033 27.242 2.459 1.00 25.52 N ATOM 966 CA TRP A 123 42.428 26.006 2.931 1.00 25.12 C ATOM 967 C TRP A 123 42.325 26.088 4.436 1.00 25.83 C ATOM 968 O TRP A 123 43.232 26.595 5.092 1.00 26.99 O ATOM 969 CB TRP A 123 43.297 24.809 2.554 1.00 21.76 C ATOM 970 CG TRP A 123 42.610 23.493 2.735 1.00 22.85 C ATOM 971 CD1 TRP A 123 42.735 22.631 3.789 1.00 14.56 C ATOM 972 CD2 TRP A 123 41.685 22.887 1.832 1.00 14.05 C ATOM 973 NE1 TRP A 123 41.943 21.526 3.592 1.00 19.74 N ATOM 974 CE2 TRP A 123 41.287 21.658 2.395 1.00 22.51 C ATOM 975 CE3 TRP A 123 41.149 23.259 0.595 1.00 17.84 C ATOM 976 CZ2 TRP A 123 40.383 20.805 1.767 1.00 19.54 C ATOM 977 CZ3 TRP A 123 40.254 22.413 -0.026 1.00 22.63 C ATOM 978 CH2 TRP A 123 39.878 21.201 0.560 1.00 17.05 C ATOM 979 N PRO A 124 41.210 25.624 4.986 1.00 26.70 N ATOM 980 CA PRO A 124 41.018 25.636 6.436 1.00 25.12 C ATOM 981 C PRO A 124 42.174 24.969 7.156 1.00 25.84 C ATOM 982 O PRO A 124 42.690 25.539 8.116 1.00 25.81 O ATOM 983 CB PRO A 124 39.744 24.816 6.619 1.00 24.93 C ATOM 984 CG PRO A 124 38.992 25.032 5.361 1.00 23.85 C ATOM 985 CD PRO A 124 40.031 25.101 4.274 1.00 27.70 C ATOM 986 OXT PRO A 124 42.571 23.870 6.766 1.00 25.88 O TER 987 PRO X 124 HETATM 988 O HOH X 125 37.938 15.653 -8.279 1.00 13.10 O HETATM 989 O HOH X 126 57.056 24.471 -2.698 1.00 14.92 O HETATM 990 O HOH X 127 51.207 20.839 -5.158 1.00 16.93 O HETATM 991 O HOH X 128 49.974 14.141 10.474 1.00 21.94 O HETATM 992 O HOH X 129 50.374 23.189 -4.067 1.00 23.10 O HETATM 993 O HOH X 130 50.508 17.985 1.372 1.00 20.09 O HETATM 994 O HOH X 131 31.880 31.513 -17.352 1.00 33.87 O HETATM 995 O HOH X 132 46.268 16.155 -7.381 1.00 21.51 O HETATM 996 O HOH X 133 33.273 9.656 5.757 1.00 22.45 O HETATM 997 O HOH X 134 37.240 14.975 -4.074 1.00 20.83 O HETATM 998 O HOH X 135 44.960 6.287 1.103 1.00 29.91 O HETATM 999 O HOH X 136 51.921 29.684 -0.923 1.00 35.51 O HETATM 1000 O HOH X 137 51.862 15.543 6.533 1.00 24.12 O HETATM 1001 O HOH X 138 37.803 4.878 1.230 1.00 24.91 O HETATM 1002 O HOH X 139 43.735 5.779 -3.472 1.00 32.62 O HETATM 1003 O HOH X 140 48.564 9.505 9.843 1.00 30.99 O HETATM 1004 O HOH X 141 36.575 41.460 4.775 1.00 42.07 O HETATM 1005 O HOH X 142 54.177 25.068 -2.780 1.00 21.67 O HETATM 1006 O HOH X 143 41.297 6.622 5.470 1.00 33.37 O HETATM 1007 O HOH X 144 32.239 27.250 -15.177 1.00 27.31 O HETATM 1008 O HOH X 145 46.173 17.329 15.670 1.00 33.89 O HETATM 1009 O HOH X 146 26.061 23.948 -10.955 1.00 25.61 O HETATM 1010 O HOH X 147 43.531 8.652 8.795 1.00 34.88 O HETATM 1011 O HOH X 148 28.002 10.521 0.941 1.00 37.14 O HETATM 1012 O HOH X 149 33.335 16.549 8.297 1.00 24.90 O HETATM 1013 O HOH X 150 41.938 29.426 -10.919 1.00 32.48 O HETATM 1014 O HOH X 151 30.136 13.899 -4.757 1.00 27.56 O HETATM 1015 O HOH X 152 48.119 27.382 -4.040 1.00 31.96 O HETATM 1016 O HOH X 153 50.062 16.862 9.596 1.00 26.34 O HETATM 1017 O HOH X 154 26.799 10.938 -3.483 1.00 39.41 O HETATM 1018 O HOH X 155 36.417 36.675 -8.655 1.00 29.30 O HETATM 1019 O HOH X 156 55.574 15.839 5.231 1.00 45.31 O HETATM 1020 O HOH X 157 39.957 17.260 -13.811 1.00 20.92 O HETATM 1021 O HOH X 158 51.209 15.358 -2.585 1.00 35.48 O HETATM 1022 O HOH X 159 41.362 35.371 -7.332 1.00 42.30 O HETATM 1023 O HOH X 160 44.338 16.495 -11.483 1.00 24.53 O HETATM 1024 O HOH X 161 27.523 32.197 2.843 1.00 46.93 O HETATM 1025 O HOH X 162 54.501 25.910 7.758 1.00 33.63 O HETATM 1026 O HOH X 163 46.052 39.799 -2.540 1.00 26.68 O HETATM 1027 O HOH X 164 34.447 3.810 -3.661 1.00 33.30 O HETATM 1028 O HOH X 165 49.682 29.740 7.319 1.00 33.07 O HETATM 1029 O HOH X 166 23.173 25.456 -3.102 1.00 39.25 O HETATM 1030 O HOH X 167 28.929 21.083 -14.071 1.00 32.73 O HETATM 1031 O HOH X 168 37.090 2.922 -4.688 1.00 39.50 O HETATM 1032 O HOH X 169 33.304 29.477 3.458 1.00 42.94 O HETATM 1033 O HOH X 170 32.456 33.357 -10.934 1.00 35.86 O HETATM 1034 O HOH X 171 27.624 14.968 -2.517 1.00 40.76 O HETATM 1035 O HOH X 172 48.484 20.012 15.155 1.00 30.27 O HETATM 1036 O HOH X 173 32.945 15.910 -14.240 1.00 37.72 O HETATM 1037 O HOH X 174 50.461 8.535 7.120 1.00 37.88 O HETATM 1038 O HOH X 175 52.282 20.284 15.835 1.00 29.38 O HETATM 1039 O HOH X 176 29.771 35.536 -2.097 1.00 47.93 O HETATM 1040 O HOH X 177 48.079 30.017 -4.436 1.00 42.19 O HETATM 1041 O HOH X 178 46.823 8.667 13.851 1.00 36.41 O HETATM 1042 O HOH X 179 31.980 33.914 -15.285 1.00 40.49 O HETATM 1043 O HOH X 180 36.717 31.203 13.733 1.00 29.38 O HETATM 1044 O HOH X 181 53.512 19.409 -5.423 1.00 31.68 O HETATM 1045 O HOH X 182 41.414 15.269 -14.568 1.00 29.96 O HETATM 1046 O HOH X 183 49.655 26.916 -11.757 1.00 29.38 O HETATM 1047 O HOH X 184 55.345 17.058 -2.165 1.00 30.14 O HETATM 1048 O HOH X 185 40.611 33.801 -12.408 1.00 36.98 O HETATM 1049 O HOH X 186 33.306 14.673 -11.353 1.00 29.31 O HETATM 1050 O HOH X 187 30.526 31.357 -10.986 1.00 37.11 O HETATM 1051 O HOH X 188 44.672 4.434 -5.719 1.00 36.56 O HETATM 1052 O HOH X 189 36.028 25.050 -18.342 1.00 36.33 O HETATM 1053 O HOH X 190 30.626 23.425 -15.971 1.00 40.61 O HETATM 1054 O HOH X 191 29.531 13.055 -7.266 1.00 46.68 O HETATM 1055 O HOH X 192 46.650 17.347 -10.003 1.00 34.18 O HETATM 1056 O HOH X 193 47.363 36.859 -3.497 1.00 41.56 O HETATM 1057 O HOH X 194 47.549 28.338 9.706 1.00 31.57 O HETATM 1058 O HOH X 195 40.451 29.249 -1.462 1.00 33.56 O HETATM 1059 O HOH X 196 46.535 7.313 -9.406 1.00 40.69 O HETATM 1060 O HOH X 197 29.316 27.988 3.211 1.00 51.19 O HETATM 1061 O HOH X 198 30.447 28.974 -10.971 1.00 37.23 O HETATM 1062 O HOH X 199 38.169 26.590 -17.512 1.00 36.34 O HETATM 1063 O HOH X 200 25.193 17.155 -1.734 1.00 35.71 O HETATM 1064 O HOH X 201 37.530 35.033 13.487 1.00 37.87 O HETATM 1065 O HOH X 202 38.859 35.008 -8.479 1.00 42.74 O HETATM 1066 O HOH X 203 29.138 24.707 3.382 1.00 37.81 O HETATM 1067 O HOH X 204 42.566 28.490 -13.437 1.00 42.33 O HETATM 1068 O HOH X 205 28.622 15.892 1.062 1.00 39.96 O HETATM 1069 O HOH X 206 54.134 11.744 4.758 1.00 47.17 O HETATM 1070 O HOH X 207 39.328 28.416 -3.655 1.00 44.87 O HETATM 1071 O HOH X 208 38.570 20.079 -16.783 1.00 51.16 O HETATM 1072 O HOH X 209 34.678 20.908 -17.244 1.00 42.76 O HETATM 1073 O HOH X 210 26.593 30.063 -8.710 1.00 44.59 O HETATM 1074 O HOH X 211 29.596 32.369 -13.348 1.00 41.84 O HETATM 1075 O HOH X 212 42.430 20.699 -16.043 1.00 47.91 O HETATM 1076 O HOH X 213 40.138 36.270 -10.864 1.00 41.87 O HETATM 1077 O HOH X 214 30.676 16.645 8.171 1.00 31.64 O CONECT 132 402 CONECT 368 810 CONECT 402 132 CONECT 715 885 CONECT 810 368 CONECT 885 715 MASTER 247 0 0 10 0 0 0 6 1076 1 6 10 END