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*** IMMUNE SYSTEM 03-MAY-16 5JPJ ***elNémo ID: 22091919371037338Job options:ID = 22091919371037338 JOBID = IMMUNE SYSTEM 03-MAY-16 5JPJ USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER IMMUNE SYSTEM 03-MAY-16 5JPJ TITLE CRYSTAL STRUCTURE OF 6AJL2-R24G COMPND MOL_ID: 1; COMPND 2 MOLECULE: 6AJL2 PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_TAXID: 9606; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID KEYWDS AMYLOIDOSIS, LIGHT CHAIN, LAMBDA, IMMUNE SYSTEM EXPDTA X-RAY DIFFRACTION AUTHOR A.E.PELAEZ-AGUILAR,A.DIAZ-VILCHIS,C.AMERO,B.BECERRIL,E.RUDINO-PINERA REVDAT 2 11-DEC-19 5JPJ 1 JRNL REVDAT 1 28-JUN-17 5JPJ 0 JRNL AUTH E.RUDINO-PINERA,A.E.PELAEZ-AGUILAR,C.AMERO,A.DIAZ-VILCHIS JRNL TITL CRYSTAL STRUCTURE OF 6AJL2-R24G LIGHT CHAIN VARIABLE DOMAIN: JRNL TITL 2 DOES CRYSTAL PACKING EXPLAIN AMYLOID FIBRIL FORMATION? JRNL REF BIOCHEM BIOPHYS REP V. 20 00682 2019 JRNL REFN ESSN 2405-5808 JRNL PMID 31517067 JRNL DOI 10.1016/J.BBREP.2019.100682 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.10.1_2155 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 46.69 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.360 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.8 REMARK 3 NUMBER OF REFLECTIONS : 17360 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.198 REMARK 3 R VALUE (WORKING SET) : 0.195 REMARK 3 FREE R VALUE : 0.249 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.180 REMARK 3 FREE R VALUE TEST SET COUNT : 900 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 10.0000 - 3.6339 0.97 2824 158 0.1599 0.2096 REMARK 3 2 3.6339 - 2.8844 0.99 2757 167 0.1867 0.2470 REMARK 3 3 2.8844 - 2.5199 1.00 2764 135 0.2230 0.2707 REMARK 3 4 2.5199 - 2.2895 1.00 2737 158 0.2418 0.2863 REMARK 3 5 2.2895 - 2.1254 1.00 2728 151 0.2411 0.3181 REMARK 3 6 2.1254 - 2.0001 0.96 2650 131 0.2575 0.3123 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.250 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 26.600 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 31.48 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 35.85 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.005 1808 REMARK 3 ANGLE : 0.776 2480 REMARK 3 CHIRALITY : 0.049 272 REMARK 3 PLANARITY : 0.004 334 REMARK 3 DIHEDRAL : 14.734 1094 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 5JPJ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-MAY-16. REMARK 100 THE DEPOSITION ID IS D_1000220973. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 30-MAY-15 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : BL14-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.18076 REMARK 200 MONOCHROMATOR : SI (111) DOUBLE CRYSTAL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 325 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XDS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 17490 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 REMARK 200 RESOLUTION RANGE LOW (A) : 59.773 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.300 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.7 REMARK 200 DATA REDUNDANCY : 4.600 REMARK 200 R MERGE (I) : 0.07200 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 14.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.00 REMARK 200 COMPLETENESS FOR SHELL (%) : 91.5 REMARK 200 DATA REDUNDANCY IN SHELL : 3.70 REMARK 200 R MERGE FOR SHELL (I) : 0.56600 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.300 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 2MKW REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 54.05 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.68 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1 M SODIUM/POTASSIUM TARTRATE, 100 MM REMARK 280 TRIS-HCL, PH 7.0, 200 MM LITHIUM SULFATE, PH 7.5, VAPOR REMARK 280 DIFFUSION, SITTING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 5555 X+1/2,Y+1/2,Z+1/2 REMARK 290 6555 -X,-Y+1/2,Z REMARK 290 7555 -X+1/2,Y,-Z REMARK 290 8555 X,-Y,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 34.96450 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 46.69350 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 38.89800 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 46.69350 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 34.96450 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 38.89800 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 34.96450 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 38.89800 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 46.69350 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 38.89800 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 34.96450 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 46.69350 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1210 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 10420 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -7.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 34.96450 REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1000 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 10800 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -4.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: B 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 -46.69350 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OE1 GLU A 84 O HOH A 201 2.15 REMARK 500 NH2 ARG B 40 O GLU B 84 2.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 208 O HOH A 208 7555 2.03 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 52 -45.26 76.50 REMARK 500 ASN A 53 15.35 -152.46 REMARK 500 ALA A 87 -179.94 177.18 REMARK 500 SER A 93 -150.36 -150.40 REMARK 500 ASP B 52 -42.91 71.38 REMARK 500 ASN B 53 13.04 -152.60 REMARK 500 SER B 93 -151.55 -148.86 REMARK 500 REMARK 500 REMARK: NULL DBREF 5JPJ A 1 111 PDB 5JPJ 5JPJ 1 111 DBREF 5JPJ B 1 111 PDB 5JPJ 5JPJ 1 111 SEQRES 1 A 111 ASN PHE MET LEU THR GLN PRO HIS SER VAL SER GLU SER SEQRES 2 A 111 PRO GLY LYS THR VAL THR ILE SER CYS THR GLY SER SER SEQRES 3 A 111 GLY SER ILE ALA SER ASN TYR VAL GLN TRP TYR GLN GLN SEQRES 4 A 111 ARG PRO GLY SER SER PRO THR THR VAL ILE TYR GLU ASP SEQRES 5 A 111 ASN GLN ARG PRO SER GLY VAL PRO ASP ARG PHE SER GLY SEQRES 6 A 111 SER ILE ASP SER SER SER ASN SER ALA SER LEU THR ILE SEQRES 7 A 111 SER GLY LEU LYS THR GLU ASP GLU ALA ASP TYR TYR CYS SEQRES 8 A 111 GLN SER TYR ASP SER SER ASN HIS VAL VAL PHE GLY GLY SEQRES 9 A 111 GLY THR LYS LEU THR VAL LEU SEQRES 1 B 111 ASN PHE MET LEU THR GLN PRO HIS SER VAL SER GLU SER SEQRES 2 B 111 PRO GLY LYS THR VAL THR ILE SER CYS THR GLY SER SER SEQRES 3 B 111 GLY SER ILE ALA SER ASN TYR VAL GLN TRP TYR GLN GLN SEQRES 4 B 111 ARG PRO GLY SER SER PRO THR THR VAL ILE TYR GLU ASP SEQRES 5 B 111 ASN GLN ARG PRO SER GLY VAL PRO ASP ARG PHE SER GLY SEQRES 6 B 111 SER ILE ASP SER SER SER ASN SER ALA SER LEU THR ILE SEQRES 7 B 111 SER GLY LEU LYS THR GLU ASP GLU ALA ASP TYR TYR CYS SEQRES 8 B 111 GLN SER TYR ASP SER SER ASN HIS VAL VAL PHE GLY GLY SEQRES 9 B 111 GLY THR LYS LEU THR VAL LEU FORMUL 3 HOH *153(H2 O) HELIX 1 1 SER B 28 ASN B 32 1 5 HELIX 2 2 SER B 69 SER B 71 1 3 HELIX 3 3 LYS B 82 GLU B 86 1 5 SHEET 1 1 1 MET B 3 THR B 5 0 SHEET 2 2 1 SER B 9 GLU B 12 0 SHEET 3 3 1 VAL B 18 SER B 25 0 SHEET 4 4 1 GLN B 35 GLN B 39 0 SHEET 5 5 1 THR B 46 ILE B 49 0 SHEET 6 6 1 PHE B 63 ASP B 68 0 SHEET 7 7 1 SER B 73 ILE B 78 0 SHEET 8 8 1 ALA B 87 TYR B 94 0 SHEET 9 9 1 VAL B 100 PHE B 102 0 SHEET 10 10 1 THR B 106 VAL B 110 0 SSBOND 1 CYS A 22 CYS A 91 1555 1555 2.05 SSBOND 2 CYS B 22 CYS B 91 1555 1555 2.02 CRYST1 69.929 77.796 93.387 90.00 90.00 90.00 I 21 21 21 16 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 0.014300 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012854 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010708 0.00000 ATOM 1 N ASN B 1 38.434 -6.848 -11.810 1.00 56.94 N ATOM 2 CA ASN B 1 37.241 -6.941 -10.977 1.00 57.21 C ATOM 3 C ASN B 1 36.909 -5.579 -10.357 1.00 62.92 C ATOM 4 O ASN B 1 36.170 -5.485 -9.377 1.00 61.94 O ATOM 5 CB ASN B 1 37.422 -8.013 -9.891 1.00 86.39 C ATOM 6 CG ASN B 1 36.109 -8.389 -9.197 1.00 84.94 C ATOM 7 OD1 ASN B 1 35.742 -7.816 -8.167 1.00 77.44 O ATOM 8 ND2 ASN B 1 35.393 -9.350 -9.775 1.00 75.58 N ATOM 9 N PHE B 2 37.462 -4.511 -10.924 1.00 61.67 N ATOM 10 CA PHE B 2 36.882 -3.199 -10.679 1.00 59.39 C ATOM 11 C PHE B 2 35.474 -3.195 -11.258 1.00 43.06 C ATOM 12 O PHE B 2 35.253 -3.673 -12.373 1.00 53.64 O ATOM 13 CB PHE B 2 37.738 -2.098 -11.313 1.00 48.57 C ATOM 14 CG PHE B 2 37.210 -0.705 -11.077 1.00 46.70 C ATOM 15 CD1 PHE B 2 37.157 -0.179 -9.802 1.00 37.10 C ATOM 16 CD2 PHE B 2 36.771 0.077 -12.133 1.00 43.04 C ATOM 17 CE1 PHE B 2 36.672 1.098 -9.577 1.00 46.98 C ATOM 18 CE2 PHE B 2 36.281 1.351 -11.913 1.00 36.82 C ATOM 19 CZ PHE B 2 36.231 1.863 -10.634 1.00 42.07 C ATOM 20 N AMET B 3 34.512 -2.684 -10.493 0.86 52.46 N ATOM 21 N BMET B 3 34.514 -2.679 -10.493 0.14 52.44 N ATOM 22 CA AMET B 3 33.148 -2.630 -10.993 0.86 48.95 C ATOM 23 CA BMET B 3 33.132 -2.653 -10.949 0.14 49.31 C ATOM 24 C AMET B 3 32.441 -1.410 -10.425 0.86 52.97 C ATOM 25 C BMET B 3 32.453 -1.392 -10.437 0.14 52.84 C ATOM 26 O AMET B 3 32.873 -0.815 -9.432 0.86 54.79 O ATOM 27 O BMET B 3 32.914 -0.754 -9.486 0.14 54.44 O ATOM 28 CB AMET B 3 32.373 -3.915 -10.672 0.86 55.26 C ATOM 29 CB BMET B 3 32.360 -3.900 -10.498 0.14 55.29 C ATOM 30 CG AMET B 3 31.930 -4.060 -9.227 0.86 60.62 C ATOM 31 CG BMET B 3 32.167 -4.006 -8.995 0.14 59.23 C ATOM 32 SD AMET B 3 30.878 -5.514 -9.030 0.86 75.52 S ATOM 33 SD BMET B 3 31.043 -5.336 -8.525 0.14 68.75 S ATOM 34 CE AMET B 3 31.930 -6.772 -9.756 0.86 59.86 C ATOM 35 CE BMET B 3 29.504 -4.743 -9.225 0.14 59.27 C ATOM 36 N LEU B 4 31.344 -1.042 -11.086 1.00 49.09 N ATOM 37 CA LEU B 4 30.587 0.161 -10.777 1.00 52.47 C ATOM 38 C LEU B 4 29.176 -0.200 -10.326 1.00 35.26 C ATOM 39 O LEU B 4 28.583 -1.165 -10.810 1.00 42.11 O ATOM 40 CB LEU B 4 30.541 1.087 -12.000 1.00 45.93 C ATOM 41 CG LEU B 4 31.936 1.488 -12.506 1.00 49.57 C ATOM 42 CD1 LEU B 4 31.927 2.037 -13.932 1.00 37.15 C ATOM 43 CD2 LEU B 4 32.555 2.493 -11.564 1.00 39.78 C ATOM 44 N THR B 5 28.643 0.592 -9.398 1.00 40.51 N ATOM 45 CA THR B 5 27.338 0.342 -8.800 1.00 39.85 C ATOM 46 C THR B 5 26.539 1.631 -8.789 1.00 38.31 C ATOM 47 O THR B 5 26.915 2.591 -8.105 1.00 44.65 O ATOM 48 CB THR B 5 27.470 -0.191 -7.370 1.00 33.53 C ATOM 49 OG1 THR B 5 28.090 -1.473 -7.400 1.00 39.00 O ATOM 50 CG2 THR B 5 26.093 -0.308 -6.714 1.00 39.91 C ATOM 51 N GLN B 6 25.426 1.643 -9.516 1.00 38.18 N ATOM 52 CA GLN B 6 24.495 2.754 -9.480 1.00 35.92 C ATOM 53 C GLN B 6 23.108 2.246 -9.118 1.00 27.01 C ATOM 54 O GLN B 6 22.787 1.077 -9.366 1.00 29.77 O ATOM 55 CB GLN B 6 24.433 3.486 -10.829 1.00 34.18 C ATOM 56 CG GLN B 6 24.751 2.608 -12.030 1.00 30.06 C ATOM 57 CD GLN B 6 24.747 3.389 -13.345 1.00 29.00 C ATOM 58 OE1 GLN B 6 25.304 2.942 -14.346 1.00 28.94 O ATOM 59 NE2 GLN B 6 24.110 4.552 -13.343 1.00 26.50 N ATOM 60 N PRO B 7 22.281 3.088 -8.508 1.00 27.82 N ATOM 61 CA PRO B 7 20.897 2.693 -8.237 1.00 34.10 C ATOM 62 C PRO B 7 20.153 2.444 -9.537 1.00 35.67 C ATOM 63 O PRO B 7 20.490 3.006 -10.579 1.00 29.97 O ATOM 64 CB PRO B 7 20.323 3.899 -7.488 1.00 26.97 C ATOM 65 CG PRO B 7 21.212 5.058 -7.891 1.00 31.99 C ATOM 66 CD PRO B 7 22.573 4.455 -8.036 1.00 29.67 C ATOM 67 N HIS B 8 19.131 1.585 -9.476 1.00 32.05 N ATOM 68 CA HIS B 8 18.396 1.287 -10.699 1.00 27.46 C ATOM 69 C HIS B 8 17.465 2.426 -11.105 1.00 21.96 C ATOM 70 O HIS B 8 17.164 2.562 -12.296 1.00 26.61 O ATOM 71 CB HIS B 8 17.620 -0.038 -10.566 1.00 21.21 C ATOM 72 CG HIS B 8 16.814 -0.162 -9.308 1.00 20.93 C ATOM 73 ND1 HIS B 8 15.576 0.425 -9.151 1.00 21.79 N ATOM 74 CD2 HIS B 8 17.065 -0.822 -8.151 1.00 25.38 C ATOM 75 CE1 HIS B 8 15.102 0.134 -7.951 1.00 22.57 C ATOM 76 NE2 HIS B 8 15.987 -0.620 -7.324 1.00 21.62 N ATOM 77 N SER B 9 17.039 3.266 -10.161 1.00 20.78 N ATOM 78 CA SER B 9 15.982 4.235 -10.406 1.00 23.01 C ATOM 79 C SER B 9 16.252 5.543 -9.681 1.00 29.34 C ATOM 80 O SER B 9 16.831 5.561 -8.593 1.00 33.75 O ATOM 81 CB SER B 9 14.628 3.699 -9.944 1.00 24.19 C ATOM 82 OG SER B 9 14.311 2.519 -10.661 1.00 23.89 O ATOM 83 N VAL B 10 15.801 6.639 -10.293 1.00 33.93 N ATOM 84 CA VAL B 10 15.767 7.944 -9.643 1.00 25.43 C ATOM 85 C VAL B 10 14.639 8.747 -10.275 1.00 27.00 C ATOM 86 O VAL B 10 14.330 8.593 -11.462 1.00 31.36 O ATOM 87 CB VAL B 10 17.126 8.682 -9.735 1.00 39.73 C ATOM 88 CG1 VAL B 10 17.418 9.142 -11.163 1.00 30.74 C ATOM 89 CG2 VAL B 10 17.151 9.847 -8.770 1.00 31.50 C ATOM 90 N SER B 11 14.014 9.603 -9.470 1.00 28.49 N ATOM 91 CA SER B 11 12.810 10.308 -9.883 1.00 33.96 C ATOM 92 C SER B 11 12.898 11.774 -9.476 1.00 43.74 C ATOM 93 O SER B 11 13.403 12.083 -8.395 1.00 37.53 O ATOM 94 CB SER B 11 11.578 9.656 -9.246 1.00 29.35 C ATOM 95 OG SER B 11 10.392 10.051 -9.894 1.00 53.73 O ATOM 96 N GLU B 12 12.407 12.673 -10.334 1.00 35.13 N ATOM 97 CA GLU B 12 12.329 14.090 -9.979 1.00 40.22 C ATOM 98 C GLU B 12 11.392 14.829 -10.926 1.00 35.16 C ATOM 99 O GLU B 12 11.055 14.347 -12.012 1.00 38.98 O ATOM 100 CB GLU B 12 13.705 14.769 -9.991 1.00 38.90 C ATOM 101 CG GLU B 12 14.307 15.045 -8.618 1.00 52.28 C ATOM 102 CD GLU B 12 13.552 16.103 -7.825 1.00 42.78 C ATOM 103 OE1 GLU B 12 12.564 16.665 -8.344 1.00 42.28 O ATOM 104 OE2 GLU B 12 13.957 16.373 -6.673 1.00 57.56 O ATOM 105 N SER B 13 10.984 16.022 -10.487 1.00 36.36 N ATOM 106 CA SER B 13 10.099 16.942 -11.179 1.00 43.57 C ATOM 107 C SER B 13 10.883 17.818 -12.154 1.00 50.77 C ATOM 108 O SER B 13 12.078 18.058 -11.959 1.00 39.11 O ATOM 109 CB SER B 13 9.372 17.830 -10.174 1.00 38.10 C ATOM 110 OG SER B 13 8.567 17.062 -9.306 1.00 45.82 O ATOM 111 N PRO B 14 10.233 18.314 -13.207 1.00 45.71 N ATOM 112 CA PRO B 14 10.944 19.164 -14.169 1.00 38.58 C ATOM 113 C PRO B 14 11.488 20.418 -13.500 1.00 44.68 C ATOM 114 O PRO B 14 10.931 20.919 -12.523 1.00 47.83 O ATOM 115 CB PRO B 14 9.870 19.501 -15.209 1.00 47.34 C ATOM 116 CG PRO B 14 8.858 18.405 -15.073 1.00 44.06 C ATOM 117 CD PRO B 14 8.842 18.058 -13.617 1.00 37.36 C ATOM 118 N GLY B 15 12.603 20.917 -14.032 1.00 44.54 N ATOM 119 CA GLY B 15 13.240 22.101 -13.507 1.00 42.45 C ATOM 120 C GLY B 15 14.122 21.874 -12.298 1.00 41.92 C ATOM 121 O GLY B 15 15.009 22.696 -12.037 1.00 46.87 O ATOM 122 N LYS B 16 13.909 20.786 -11.560 1.00 47.23 N ATOM 123 CA LYS B 16 14.712 20.466 -10.390 1.00 47.58 C ATOM 124 C LYS B 16 16.063 19.890 -10.805 1.00 44.48 C ATOM 125 O LYS B 16 16.385 19.764 -11.991 1.00 49.54 O ATOM 126 CB LYS B 16 13.966 19.489 -9.483 1.00 50.72 C ATOM 127 CG LYS B 16 12.757 20.074 -8.772 1.00 49.74 C ATOM 128 CD LYS B 16 13.172 21.058 -7.687 1.00 55.47 C ATOM 129 CE LYS B 16 12.247 20.972 -6.480 1.00 69.19 C ATOM 130 NZ LYS B 16 10.816 21.133 -6.858 1.00 69.95 N ATOM 131 N THR B 17 16.860 19.516 -9.809 1.00 39.50 N ATOM 132 CA THR B 17 18.195 18.975 -10.017 1.00 36.99 C ATOM 133 C THR B 17 18.277 17.564 -9.453 1.00 37.41 C ATOM 134 O THR B 17 17.769 17.288 -8.362 1.00 52.12 O ATOM 135 CB THR B 17 19.255 19.878 -9.367 1.00 41.97 C ATOM 136 OG1 THR B 17 19.238 21.163 -10.008 1.00 48.70 O ATOM 137 CG2 THR B 17 20.644 19.265 -9.488 1.00 39.12 C ATOM 138 N VAL B 18 18.916 16.669 -10.200 1.00 44.66 N ATOM 139 CA VAL B 18 19.040 15.272 -9.809 1.00 39.10 C ATOM 140 C VAL B 18 20.484 14.830 -10.007 1.00 37.50 C ATOM 141 O VAL B 18 21.153 15.253 -10.956 1.00 37.43 O ATOM 142 CB VAL B 18 18.063 14.378 -10.608 1.00 47.44 C ATOM 143 CG1 VAL B 18 18.393 14.402 -12.096 1.00 40.86 C ATOM 144 CG2 VAL B 18 18.082 12.960 -10.084 1.00 35.33 C ATOM 145 N THR B 19 20.967 13.986 -9.100 1.00 37.59 N ATOM 146 CA THR B 19 22.309 13.431 -9.170 1.00 44.06 C ATOM 147 C THR B 19 22.223 11.915 -9.255 1.00 38.13 C ATOM 148 O THR B 19 21.423 11.284 -8.557 1.00 42.04 O ATOM 149 CB THR B 19 23.155 13.843 -7.953 1.00 31.21 C ATOM 150 OG1 THR B 19 23.180 15.270 -7.857 1.00 40.29 O ATOM 151 CG2 THR B 19 24.580 13.333 -8.099 1.00 36.94 C ATOM 152 N ILE B 20 23.050 11.340 -10.115 1.00 34.34 N ATOM 153 CA ILE B 20 23.103 9.907 -10.342 1.00 34.95 C ATOM 154 C ILE B 20 24.530 9.486 -10.051 1.00 34.01 C ATOM 155 O ILE B 20 25.459 9.861 -10.779 1.00 33.79 O ATOM 156 CB ILE B 20 22.689 9.537 -11.772 1.00 26.38 C ATOM 157 CG1 ILE B 20 21.212 9.887 -11.998 1.00 34.29 C ATOM 158 CG2 ILE B 20 23.005 8.084 -12.053 1.00 28.99 C ATOM 159 CD1 ILE B 20 20.753 9.838 -13.454 1.00 29.27 C ATOM 160 N SER B 21 24.717 8.740 -8.972 1.00 39.11 N ATOM 161 CA SER B 21 26.047 8.396 -8.502 1.00 36.96 C ATOM 162 C SER B 21 26.344 6.936 -8.780 1.00 35.97 C ATOM 163 O SER B 21 25.467 6.076 -8.671 1.00 46.76 O ATOM 164 CB SER B 21 26.196 8.684 -7.010 1.00 42.58 C ATOM 165 OG SER B 21 26.247 10.076 -6.792 1.00 42.47 O ATOM 166 N ACYS B 22 27.543 6.694 -9.288 0.52 34.13 N ATOM 167 N BCYS B 22 27.628 6.643 -9.000 0.48 33.57 N ATOM 168 CA ACYS B 22 28.091 5.359 -9.419 0.52 33.96 C ATOM 169 CA BCYS B 22 28.073 5.330 -9.472 0.48 33.91 C ATOM 170 C ACYS B 22 29.165 5.213 -8.363 0.52 46.05 C ATOM 171 C BCYS B 22 29.345 4.935 -8.718 0.48 47.49 C ATOM 172 O ACYS B 22 29.943 6.142 -8.129 0.52 40.86 O ATOM 173 O BCYS B 22 30.440 5.399 -9.049 0.48 46.35 O ATOM 174 CB ACYS B 22 28.692 5.114 -10.801 0.52 34.28 C ATOM 175 CB BCYS B 22 28.272 5.397 -10.981 0.48 37.23 C ATOM 176 SG ACYS B 22 27.486 4.794 -12.081 0.52 36.76 S ATOM 177 SG BCYS B 22 29.452 4.317 -11.768 0.48 42.81 S ATOM 178 N THR B 23 29.196 4.064 -7.711 1.00 54.29 N ATOM 179 CA THR B 23 30.237 3.780 -6.734 1.00 45.28 C ATOM 180 C THR B 23 31.146 2.672 -7.237 1.00 33.73 C ATOM 181 O THR B 23 30.672 1.607 -7.642 1.00 40.81 O ATOM 182 CB THR B 23 29.632 3.390 -5.388 1.00 41.74 C ATOM 183 OG1 THR B 23 28.928 4.514 -4.839 1.00 46.01 O ATOM 184 CG2 THR B 23 30.733 2.978 -4.424 1.00 42.92 C ATOM 185 N GLY B 24 32.450 2.930 -7.217 1.00 46.74 N ATOM 186 CA GLY B 24 33.421 1.922 -7.588 1.00 41.39 C ATOM 187 C GLY B 24 33.743 1.034 -6.397 1.00 48.74 C ATOM 188 O GLY B 24 33.804 1.496 -5.260 1.00 45.08 O ATOM 189 N SER B 25 33.931 -0.252 -6.676 1.00 45.23 N ATOM 190 CA SER B 25 34.339 -1.220 -5.671 1.00 58.21 C ATOM 191 C SER B 25 35.585 -1.937 -6.166 1.00 56.98 C ATOM 192 O SER B 25 35.716 -2.204 -7.365 1.00 54.23 O ATOM 193 CB SER B 25 33.230 -2.244 -5.383 1.00 44.90 C ATOM 194 OG SER B 25 33.415 -3.424 -6.156 1.00 50.49 O ATOM 195 N ASER B 26 36.494 -2.240 -5.234 0.48 56.54 N ATOM 196 N BSER B 26 36.493 -2.249 -5.235 0.52 56.56 N ATOM 197 CA ASER B 26 37.737 -2.955 -5.533 0.48 51.81 C ATOM 198 CA BSER B 26 37.740 -2.960 -5.536 0.52 51.81 C ATOM 199 C ASER B 26 38.583 -2.184 -6.546 0.48 51.22 C ATOM 200 C BSER B 26 38.586 -2.184 -6.546 0.52 51.23 C ATOM 201 O ASER B 26 39.085 -2.734 -7.528 0.48 45.74 O ATOM 202 O BSER B 26 39.092 -2.731 -7.529 0.52 45.72 O ATOM 203 CB ASER B 26 37.448 -4.378 -6.016 0.48 45.60 C ATOM 204 CB BSER B 26 37.462 -4.383 -6.029 0.52 45.59 C ATOM 205 OG ASER B 26 36.781 -5.114 -5.007 0.48 43.30 O ATOM 206 OG BSER B 26 36.857 -4.368 -7.308 0.52 46.75 O ATOM 207 N GLY B 27 38.739 -0.890 -6.292 1.00 46.77 N ATOM 208 CA GLY B 27 39.513 -0.040 -7.166 1.00 48.12 C ATOM 209 C GLY B 27 39.278 1.414 -6.838 1.00 54.98 C ATOM 210 O GLY B 27 38.280 1.760 -6.193 1.00 52.71 O ATOM 211 N SER B 28 40.194 2.278 -7.259 1.00 50.63 N ATOM 212 CA SER B 28 40.018 3.706 -7.075 1.00 51.01 C ATOM 213 C SER B 28 39.211 4.265 -8.237 1.00 48.55 C ATOM 214 O SER B 28 39.446 3.915 -9.396 1.00 49.96 O ATOM 215 CB SER B 28 41.363 4.419 -6.973 1.00 59.23 C ATOM 216 OG SER B 28 41.186 5.717 -6.437 1.00 64.69 O ATOM 217 N ILE B 29 38.244 5.122 -7.913 1.00 46.96 N ATOM 218 CA ILE B 29 37.418 5.710 -8.959 1.00 51.80 C ATOM 219 C ILE B 29 38.278 6.549 -9.899 1.00 57.38 C ATOM 220 O ILE B 29 38.081 6.540 -11.119 1.00 50.56 O ATOM 221 CB ILE B 29 36.262 6.521 -8.336 1.00 46.07 C ATOM 222 CG1 ILE B 29 35.256 6.939 -9.408 1.00 49.07 C ATOM 223 CG2 ILE B 29 36.772 7.724 -7.545 1.00 54.39 C ATOM 224 CD1 ILE B 29 34.536 5.775 -10.020 1.00 28.45 C ATOM 225 N ALA B 30 39.284 7.237 -9.355 1.00 54.02 N ATOM 226 CA ALA B 30 40.136 8.132 -10.127 1.00 46.93 C ATOM 227 C ALA B 30 41.190 7.402 -10.948 1.00 53.83 C ATOM 228 O ALA B 30 41.957 8.057 -11.663 1.00 62.12 O ATOM 229 CB ALA B 30 40.816 9.137 -9.193 1.00 51.35 C ATOM 230 N SER B 31 41.237 6.072 -10.878 1.00 41.01 N ATOM 231 CA SER B 31 42.260 5.322 -11.600 1.00 46.69 C ATOM 232 C SER B 31 42.022 5.324 -13.109 1.00 51.89 C ATOM 233 O SER B 31 42.972 5.164 -13.885 1.00 38.59 O ATOM 234 CB SER B 31 42.317 3.893 -11.060 1.00 62.86 C ATOM 235 OG SER B 31 43.216 3.091 -11.798 1.00 61.34 O ATOM 236 N ASN B 32 40.776 5.495 -13.546 1.00 46.16 N ATOM 237 CA ASN B 32 40.473 5.543 -14.970 1.00 47.14 C ATOM 238 C ASN B 32 39.328 6.513 -15.213 1.00 36.59 C ATOM 239 O ASN B 32 38.527 6.796 -14.320 1.00 39.51 O ATOM 240 CB ASN B 32 40.129 4.160 -15.532 1.00 47.27 C ATOM 241 CG ASN B 32 41.362 3.349 -15.876 1.00 53.11 C ATOM 242 OD1 ASN B 32 41.787 2.487 -15.107 1.00 43.75 O ATOM 243 ND2 ASN B 32 41.941 3.618 -17.043 1.00 33.34 N ATOM 244 N TYR B 33 39.278 7.041 -16.436 1.00 31.16 N ATOM 245 CA TYR B 33 38.251 8.010 -16.788 1.00 29.64 C ATOM 246 C TYR B 33 36.876 7.359 -16.764 1.00 29.97 C ATOM 247 O TYR B 33 36.714 6.204 -17.159 1.00 31.96 O ATOM 248 CB TYR B 33 38.524 8.596 -18.173 1.00 32.29 C ATOM 249 CG TYR B 33 39.545 9.702 -18.156 1.00 29.41 C ATOM 250 CD1 TYR B 33 39.459 10.736 -17.231 1.00 34.59 C ATOM 251 CD2 TYR B 33 40.608 9.699 -19.039 1.00 40.22 C ATOM 252 CE1 TYR B 33 40.397 11.754 -17.208 1.00 45.68 C ATOM 253 CE2 TYR B 33 41.550 10.703 -19.023 1.00 36.38 C ATOM 254 CZ TYR B 33 41.441 11.728 -18.111 1.00 48.25 C ATOM 255 OH TYR B 33 42.389 12.725 -18.107 1.00 49.94 O ATOM 256 N VAL B 34 35.884 8.108 -16.299 1.00 30.91 N ATOM 257 CA VAL B 34 34.497 7.663 -16.288 1.00 25.88 C ATOM 258 C VAL B 34 33.762 8.377 -17.416 1.00 41.70 C ATOM 259 O VAL B 34 33.896 9.597 -17.582 1.00 35.72 O ATOM 260 CB VAL B 34 33.831 7.934 -14.926 1.00 31.52 C ATOM 261 CG1 VAL B 34 32.341 7.610 -14.964 1.00 29.47 C ATOM 262 CG2 VAL B 34 34.524 7.136 -13.832 1.00 32.30 C ATOM 263 N GLN B 35 33.011 7.612 -18.203 1.00 36.00 N ATOM 264 CA GLN B 35 32.093 8.136 -19.201 1.00 34.54 C ATOM 265 C GLN B 35 30.664 7.930 -18.722 1.00 37.71 C ATOM 266 O GLN B 35 30.377 7.010 -17.950 1.00 33.53 O ATOM 267 CB GLN B 35 32.273 7.441 -20.554 1.00 32.34 C ATOM 268 CG GLN B 35 33.462 7.912 -21.368 1.00 46.68 C ATOM 269 CD GLN B 35 34.793 7.718 -20.658 1.00 57.60 C ATOM 270 OE1 GLN B 35 35.590 8.652 -20.549 1.00 48.83 O ATOM 271 NE2 GLN B 35 35.047 6.496 -20.188 1.00 48.20 N ATOM 272 N TRP B 36 29.770 8.797 -19.186 1.00 37.27 N ATOM 273 CA TRP B 36 28.345 8.699 -18.901 1.00 32.82 C ATOM 274 C TRP B 36 27.584 8.664 -20.221 1.00 39.70 C ATOM 275 O TRP B 36 27.840 9.489 -21.109 1.00 24.53 O ATOM 276 CB TRP B 36 27.869 9.875 -18.045 1.00 30.72 C ATOM 277 CG TRP B 36 28.320 9.849 -16.602 1.00 40.18 C ATOM 278 CD1 TRP B 36 29.406 10.492 -16.060 1.00 38.63 C ATOM 279 CD2 TRP B 36 27.685 9.156 -15.519 1.00 31.85 C ATOM 280 NE1 TRP B 36 29.481 10.237 -14.706 1.00 32.17 N ATOM 281 CE2 TRP B 36 28.439 9.418 -14.351 1.00 37.79 C ATOM 282 CE3 TRP B 36 26.554 8.330 -15.424 1.00 31.82 C ATOM 283 CZ2 TRP B 36 28.093 8.890 -13.101 1.00 37.73 C ATOM 284 CZ3 TRP B 36 26.212 7.805 -14.184 1.00 35.02 C ATOM 285 CH2 TRP B 36 26.979 8.091 -13.038 1.00 34.82 C ATOM 286 N TYR B 37 26.656 7.712 -20.354 1.00 30.52 N ATOM 287 CA TYR B 37 25.825 7.582 -21.547 1.00 27.77 C ATOM 288 C TYR B 37 24.360 7.795 -21.204 1.00 31.69 C ATOM 289 O TYR B 37 23.894 7.386 -20.134 1.00 26.68 O ATOM 290 CB TYR B 37 25.982 6.217 -22.201 1.00 26.51 C ATOM 291 CG TYR B 37 27.393 5.903 -22.601 1.00 30.57 C ATOM 292 CD1 TYR B 37 28.271 5.309 -21.702 1.00 29.28 C ATOM 293 CD2 TYR B 37 27.860 6.204 -23.877 1.00 33.76 C ATOM 294 CE1 TYR B 37 29.580 5.014 -22.068 1.00 40.35 C ATOM 295 CE2 TYR B 37 29.165 5.906 -24.254 1.00 31.22 C ATOM 296 CZ TYR B 37 30.019 5.315 -23.345 1.00 48.83 C ATOM 297 OH TYR B 37 31.313 5.026 -23.709 1.00 55.23 O ATOM 298 N GLN B 38 23.642 8.437 -22.117 1.00 23.98 N ATOM 299 CA GLN B 38 22.198 8.579 -22.036 1.00 23.14 C ATOM 300 C GLN B 38 21.576 7.554 -22.973 1.00 26.42 C ATOM 301 O GLN B 38 21.958 7.471 -24.144 1.00 28.38 O ATOM 302 CB GLN B 38 21.767 9.997 -22.427 1.00 27.38 C ATOM 303 CG GLN B 38 20.268 10.252 -22.368 1.00 27.98 C ATOM 304 CD GLN B 38 19.864 11.595 -22.980 1.00 24.22 C ATOM 305 OE1 GLN B 38 20.055 11.829 -24.170 1.00 28.51 O ATOM 306 NE2 GLN B 38 19.313 12.471 -22.163 1.00 22.52 N ATOM 307 N GLN B 39 20.632 6.763 -22.465 1.00 29.69 N ATOM 308 CA GLN B 39 19.924 5.802 -23.307 1.00 31.17 C ATOM 309 C GLN B 39 18.430 6.031 -23.166 1.00 28.77 C ATOM 310 O GLN B 39 17.830 5.661 -22.152 1.00 26.80 O ATOM 311 CB GLN B 39 20.272 4.358 -22.972 1.00 31.24 C ATOM 312 CG GLN B 39 19.680 3.406 -23.997 1.00 26.38 C ATOM 313 CD GLN B 39 19.934 1.961 -23.681 1.00 30.08 C ATOM 314 OE1 GLN B 39 20.157 1.591 -22.530 1.00 24.29 O ATOM 315 NE2 GLN B 39 19.920 1.128 -24.710 1.00 29.19 N ATOM 316 N AARG B 40 17.835 6.634 -24.175 0.59 33.57 N ATOM 317 N BARG B 40 17.833 6.644 -24.183 0.41 33.49 N ATOM 318 CA AARG B 40 16.402 6.825 -24.100 0.59 33.15 C ATOM 319 CA BARG B 40 16.395 6.817 -24.207 0.41 33.11 C ATOM 320 C AARG B 40 15.693 5.522 -24.471 0.59 31.49 C ATOM 321 C BARG B 40 15.724 5.465 -24.408 0.41 31.49 C ATOM 322 O AARG B 40 16.265 4.676 -25.167 0.59 26.92 O ATOM 323 O BARG B 40 16.338 4.536 -24.941 0.41 27.19 O ATOM 324 CB AARG B 40 15.982 7.982 -25.006 0.59 31.93 C ATOM 325 CB BARG B 40 16.003 7.783 -25.318 0.41 31.83 C ATOM 326 CG AARG B 40 16.670 9.289 -24.589 0.59 32.21 C ATOM 327 CG BARG B 40 16.767 9.082 -25.254 0.41 34.03 C ATOM 328 CD AARG B 40 15.848 10.538 -24.876 0.59 28.48 C ATOM 329 CD BARG B 40 16.235 10.069 -26.258 0.41 38.76 C ATOM 330 NE AARG B 40 16.137 11.099 -26.191 0.59 41.54 N ATOM 331 NE BARG B 40 16.840 11.385 -26.095 0.41 35.09 N ATOM 332 CZ AARG B 40 16.933 12.143 -26.413 0.59 33.27 C ATOM 333 CZ BARG B 40 16.453 12.267 -25.184 0.41 33.04 C ATOM 334 NH1AARG B 40 17.527 12.765 -25.405 0.59 35.69 N ATOM 335 NH1BARG B 40 17.050 13.450 -25.104 0.41 37.88 N ATOM 336 NH2AARG B 40 17.125 12.572 -27.653 0.59 26.38 N ATOM 337 NH2BARG B 40 15.469 11.961 -24.347 0.41 33.29 N ATOM 338 N PRO B 41 14.470 5.318 -23.979 1.00 33.65 N ATOM 339 CA PRO B 41 13.815 4.006 -24.105 1.00 32.32 C ATOM 340 C PRO B 41 13.737 3.528 -25.551 1.00 42.44 C ATOM 341 O PRO B 41 13.311 4.260 -26.449 1.00 36.25 O ATOM 342 CB PRO B 41 12.420 4.252 -23.519 1.00 29.53 C ATOM 343 CG PRO B 41 12.568 5.448 -22.646 1.00 32.13 C ATOM 344 CD PRO B 41 13.608 6.300 -23.292 1.00 39.37 C ATOM 345 N GLY B 42 14.175 2.289 -25.771 1.00 32.74 N ATOM 346 CA GLY B 42 14.176 1.673 -27.083 1.00 32.28 C ATOM 347 C GLY B 42 15.315 2.072 -27.998 1.00 35.11 C ATOM 348 O GLY B 42 15.455 1.482 -29.077 1.00 26.94 O ATOM 349 N SER B 43 16.153 3.018 -27.599 1.00 31.17 N ATOM 350 CA SER B 43 17.085 3.669 -28.507 1.00 29.25 C ATOM 351 C SER B 43 18.530 3.327 -28.148 1.00 30.79 C ATOM 352 O SER B 43 18.811 2.606 -27.192 1.00 27.26 O ATOM 353 CB SER B 43 16.844 5.179 -28.483 1.00 35.82 C ATOM 354 OG SER B 43 15.455 5.473 -28.581 1.00 32.37 O ATOM 355 N SER B 44 19.457 3.872 -28.927 1.00 25.93 N ATOM 356 CA SER B 44 20.883 3.652 -28.751 1.00 33.43 C ATOM 357 C SER B 44 21.472 4.646 -27.753 1.00 33.72 C ATOM 358 O SER B 44 21.000 5.783 -27.647 1.00 34.83 O ATOM 359 CB SER B 44 21.604 3.788 -30.088 1.00 32.64 C ATOM 360 OG SER B 44 20.843 3.196 -31.121 1.00 35.61 O ATOM 361 N PRO B 45 22.506 4.239 -27.014 1.00 37.63 N ATOM 362 CA PRO B 45 23.142 5.158 -26.062 1.00 34.69 C ATOM 363 C PRO B 45 23.945 6.232 -26.781 1.00 33.11 C ATOM 364 O PRO B 45 24.513 6.003 -27.850 1.00 31.47 O ATOM 365 CB PRO B 45 24.070 4.247 -25.243 1.00 31.72 C ATOM 366 CG PRO B 45 23.733 2.838 -25.642 1.00 35.92 C ATOM 367 CD PRO B 45 23.142 2.914 -27.006 1.00 25.29 C ATOM 368 N THR B 46 24.003 7.412 -26.164 1.00 33.99 N ATOM 369 CA THR B 46 24.828 8.514 -26.639 1.00 25.97 C ATOM 370 C THR B 46 25.617 9.086 -25.467 1.00 33.42 C ATOM 371 O THR B 46 25.142 9.108 -24.329 1.00 27.33 O ATOM 372 CB THR B 46 23.988 9.632 -27.276 1.00 24.53 C ATOM 373 OG1 THR B 46 23.208 10.276 -26.265 1.00 30.19 O ATOM 374 CG2 THR B 46 23.044 9.079 -28.349 1.00 34.40 C ATOM 375 N THR B 47 26.826 9.551 -25.756 1.00 36.42 N ATOM 376 CA THR B 47 27.696 10.071 -24.711 1.00 33.38 C ATOM 377 C THR B 47 27.187 11.415 -24.207 1.00 31.16 C ATOM 378 O THR B 47 26.781 12.277 -24.991 1.00 33.02 O ATOM 379 CB THR B 47 29.113 10.222 -25.245 1.00 23.22 C ATOM 380 OG1 THR B 47 29.522 8.991 -25.841 1.00 35.29 O ATOM 381 CG2 THR B 47 30.084 10.595 -24.122 1.00 32.47 C ATOM 382 N VAL B 48 27.212 11.601 -22.890 1.00 28.81 N ATOM 383 CA VAL B 48 26.798 12.873 -22.309 1.00 23.00 C ATOM 384 C VAL B 48 27.944 13.469 -21.490 1.00 28.92 C ATOM 385 O VAL B 48 28.050 14.691 -21.344 1.00 21.46 O ATOM 386 CB VAL B 48 25.510 12.705 -21.484 1.00 32.94 C ATOM 387 CG1 VAL B 48 25.752 11.864 -20.236 1.00 36.65 C ATOM 388 CG2 VAL B 48 24.942 14.039 -21.130 1.00 44.11 C ATOM 389 N ILE B 49 28.830 12.620 -20.988 1.00 29.11 N ATOM 390 CA ILE B 49 30.037 13.048 -20.285 1.00 29.59 C ATOM 391 C ILE B 49 31.134 12.071 -20.655 1.00 28.56 C ATOM 392 O ILE B 49 30.897 10.861 -20.713 1.00 30.35 O ATOM 393 CB ILE B 49 29.854 13.085 -18.747 1.00 22.58 C ATOM 394 CG1 ILE B 49 28.873 14.185 -18.321 1.00 28.79 C ATOM 395 CG2 ILE B 49 31.212 13.220 -18.030 1.00 28.97 C ATOM 396 CD1 ILE B 49 29.351 15.609 -18.555 1.00 27.53 C ATOM 397 N TYR B 50 32.328 12.587 -20.928 1.00 30.69 N ATOM 398 CA TYR B 50 33.502 11.746 -21.087 1.00 27.40 C ATOM 399 C TYR B 50 34.639 12.340 -20.265 1.00 29.30 C ATOM 400 O TYR B 50 34.589 13.504 -19.863 1.00 31.71 O ATOM 401 CB TYR B 50 33.897 11.590 -22.571 1.00 28.31 C ATOM 402 CG TYR B 50 34.410 12.860 -23.212 1.00 31.87 C ATOM 403 CD1 TYR B 50 33.531 13.828 -23.700 1.00 30.20 C ATOM 404 CD2 TYR B 50 35.774 13.100 -23.321 1.00 35.16 C ATOM 405 CE1 TYR B 50 34.008 15.008 -24.276 1.00 27.13 C ATOM 406 CE2 TYR B 50 36.255 14.266 -23.895 1.00 32.09 C ATOM 407 CZ TYR B 50 35.373 15.214 -24.373 1.00 34.76 C ATOM 408 OH TYR B 50 35.864 16.373 -24.946 1.00 33.79 O ATOM 409 N GLU B 51 35.657 11.518 -20.002 1.00 29.18 N ATOM 410 CA GLU B 51 36.812 11.910 -19.190 1.00 35.00 C ATOM 411 C GLU B 51 36.377 12.609 -17.899 1.00 32.09 C ATOM 412 O GLU B 51 36.805 13.722 -17.587 1.00 31.89 O ATOM 413 CB GLU B 51 37.777 12.789 -20.000 1.00 27.51 C ATOM 414 CG GLU B 51 38.485 12.060 -21.122 1.00 29.55 C ATOM 415 CD GLU B 51 39.340 12.993 -21.971 1.00 36.25 C ATOM 416 OE1 GLU B 51 39.362 14.210 -21.688 1.00 39.59 O ATOM 417 OE2 GLU B 51 39.982 12.508 -22.921 1.00 41.10 O ATOM 418 N ASP B 52 35.475 11.950 -17.168 1.00 32.98 N ATOM 419 CA ASP B 52 34.977 12.386 -15.863 1.00 29.72 C ATOM 420 C ASP B 52 34.053 13.604 -15.923 1.00 40.87 C ATOM 421 O ASP B 52 33.033 13.642 -15.225 1.00 30.23 O ATOM 422 CB ASP B 52 36.142 12.670 -14.906 1.00 37.90 C ATOM 423 CG ASP B 52 37.039 11.463 -14.696 1.00 43.71 C ATOM 424 OD1 ASP B 52 36.576 10.317 -14.910 1.00 41.93 O ATOM 425 OD2 ASP B 52 38.214 11.663 -14.310 1.00 46.50 O ATOM 426 N ASN B 53 34.383 14.622 -16.721 1.00 34.10 N ATOM 427 CA ASN B 53 33.560 15.826 -16.667 1.00 20.97 C ATOM 428 C ASN B 53 33.537 16.638 -17.958 1.00 20.44 C ATOM 429 O ASN B 53 33.057 17.780 -17.933 1.00 27.35 O ATOM 430 CB ASN B 53 34.015 16.737 -15.504 1.00 38.09 C ATOM 431 CG ASN B 53 35.480 17.131 -15.598 1.00 33.51 C ATOM 432 OD1 ASN B 53 36.181 16.763 -16.540 1.00 38.44 O ATOM 433 ND2 ASN B 53 35.949 17.882 -14.612 1.00 36.64 N ATOM 434 N GLN B 54 34.010 16.106 -19.076 1.00 26.77 N ATOM 435 CA GLN B 54 33.963 16.816 -20.346 1.00 27.77 C ATOM 436 C GLN B 54 32.642 16.544 -21.061 1.00 31.36 C ATOM 437 O GLN B 54 32.228 15.389 -21.202 1.00 25.83 O ATOM 438 CB GLN B 54 35.141 16.391 -21.213 1.00 23.50 C ATOM 439 CG GLN B 54 36.480 16.600 -20.523 1.00 35.64 C ATOM 440 CD GLN B 54 36.708 18.048 -20.186 1.00 30.12 C ATOM 441 OE1 GLN B 54 36.797 18.890 -21.076 1.00 31.19 O ATOM 442 NE2 GLN B 54 36.789 18.357 -18.898 1.00 25.15 N ATOM 443 N ARG B 55 31.982 17.610 -21.505 1.00 28.81 N ATOM 444 CA ARG B 55 30.767 17.491 -22.313 1.00 30.68 C ATOM 445 C ARG B 55 31.116 17.405 -23.794 1.00 38.98 C ATOM 446 O ARG B 55 31.905 18.223 -24.289 1.00 31.43 O ATOM 447 CB ARG B 55 29.849 18.682 -22.099 1.00 33.36 C ATOM 448 CG ARG B 55 28.918 18.573 -20.919 1.00 31.12 C ATOM 449 CD ARG B 55 28.146 19.873 -20.727 1.00 36.00 C ATOM 450 NE ARG B 55 28.948 20.902 -20.063 1.00 37.69 N ATOM 451 CZ ARG B 55 29.472 21.966 -20.661 1.00 51.79 C ATOM 452 NH1 ARG B 55 29.283 22.171 -21.963 1.00 48.50 N ATOM 453 NH2 ARG B 55 30.182 22.834 -19.945 1.00 43.52 N ATOM 454 N PRO B 56 30.539 16.469 -24.541 1.00 32.04 N ATOM 455 CA PRO B 56 30.670 16.534 -26.002 1.00 31.97 C ATOM 456 C PRO B 56 30.016 17.798 -26.534 1.00 29.40 C ATOM 457 O PRO B 56 29.084 18.347 -25.932 1.00 21.27 O ATOM 458 CB PRO B 56 29.946 15.271 -26.489 1.00 32.37 C ATOM 459 CG PRO B 56 29.872 14.366 -25.256 1.00 33.97 C ATOM 460 CD PRO B 56 29.734 15.316 -24.102 1.00 29.66 C ATOM 461 N SER B 57 30.529 18.268 -27.670 1.00 39.52 N ATOM 462 CA SER B 57 29.983 19.465 -28.292 1.00 37.17 C ATOM 463 C SER B 57 28.494 19.287 -28.541 1.00 33.83 C ATOM 464 O SER B 57 28.064 18.287 -29.121 1.00 37.19 O ATOM 465 CB SER B 57 30.713 19.759 -29.603 1.00 47.23 C ATOM 466 OG SER B 57 32.119 19.734 -29.415 1.00 59.35 O ATOM 467 N GLY B 58 27.700 20.244 -28.063 1.00 37.30 N ATOM 468 CA GLY B 58 26.267 20.223 -28.212 1.00 31.97 C ATOM 469 C GLY B 58 25.509 19.751 -26.985 1.00 31.43 C ATOM 470 O GLY B 58 24.339 20.108 -26.824 1.00 42.33 O ATOM 471 N VAL B 59 26.137 18.955 -26.126 1.00 31.99 N ATOM 472 CA VAL B 59 25.439 18.479 -24.925 1.00 34.66 C ATOM 473 C VAL B 59 25.168 19.664 -24.006 1.00 28.94 C ATOM 474 O VAL B 59 26.109 20.399 -23.656 1.00 31.83 O ATOM 475 CB VAL B 59 26.262 17.401 -24.214 1.00 34.25 C ATOM 476 CG1 VAL B 59 25.696 17.130 -22.829 1.00 28.00 C ATOM 477 CG2 VAL B 59 26.279 16.127 -25.036 1.00 29.36 C ATOM 478 N PRO B 60 23.914 19.890 -23.606 1.00 37.03 N ATOM 479 CA PRO B 60 23.589 21.040 -22.748 1.00 36.14 C ATOM 480 C PRO B 60 24.410 21.048 -21.468 1.00 41.54 C ATOM 481 O PRO B 60 24.683 20.002 -20.877 1.00 32.31 O ATOM 482 CB PRO B 60 22.099 20.844 -22.444 1.00 34.45 C ATOM 483 CG PRO B 60 21.587 19.980 -23.551 1.00 40.84 C ATOM 484 CD PRO B 60 22.725 19.098 -23.966 1.00 41.73 C ATOM 485 N ASP B 61 24.789 22.252 -21.032 1.00 35.44 N ATOM 486 CA ASP B 61 25.650 22.399 -19.864 1.00 37.87 C ATOM 487 C ASP B 61 24.942 22.072 -18.556 1.00 43.35 C ATOM 488 O ASP B 61 25.580 22.105 -17.501 1.00 37.61 O ATOM 489 CB ASP B 61 26.223 23.816 -19.811 1.00 42.02 C ATOM 490 CG ASP B 61 25.157 24.875 -19.619 1.00 42.13 C ATOM 491 OD1 ASP B 61 23.958 24.563 -19.767 1.00 52.24 O ATOM 492 OD2 ASP B 61 25.526 26.035 -19.331 1.00 60.89 O ATOM 493 N ARG B 62 23.649 21.758 -18.588 1.00 46.91 N ATOM 494 CA ARG B 62 22.997 21.264 -17.387 1.00 38.75 C ATOM 495 C ARG B 62 23.414 19.842 -17.042 1.00 36.40 C ATOM 496 O ARG B 62 23.070 19.368 -15.957 1.00 38.66 O ATOM 497 CB ARG B 62 21.485 21.367 -17.549 1.00 38.21 C ATOM 498 CG ARG B 62 20.959 20.728 -18.802 1.00 44.42 C ATOM 499 CD ARG B 62 19.695 21.432 -19.277 1.00 58.02 C ATOM 500 NE ARG B 62 19.057 20.663 -20.337 1.00 50.84 N ATOM 501 CZ ARG B 62 18.303 19.601 -20.099 1.00 45.13 C ATOM 502 NH1 ARG B 62 18.109 19.219 -18.844 1.00 41.54 N ATOM 503 NH2 ARG B 62 17.753 18.923 -21.100 1.00 39.28 N ATOM 504 N PHE B 63 24.156 19.165 -17.922 1.00 36.24 N ATOM 505 CA PHE B 63 24.796 17.890 -17.610 1.00 36.01 C ATOM 506 C PHE B 63 26.226 18.156 -17.147 1.00 36.41 C ATOM 507 O PHE B 63 27.033 18.719 -17.893 1.00 36.41 O ATOM 508 CB PHE B 63 24.800 16.957 -18.827 1.00 30.73 C ATOM 509 CG PHE B 63 23.424 16.507 -19.267 1.00 28.68 C ATOM 510 CD1 PHE B 63 22.689 17.258 -20.170 1.00 30.60 C ATOM 511 CD2 PHE B 63 22.875 15.329 -18.782 1.00 28.70 C ATOM 512 CE1 PHE B 63 21.430 16.851 -20.580 1.00 34.64 C ATOM 513 CE2 PHE B 63 21.614 14.909 -19.188 1.00 28.45 C ATOM 514 CZ PHE B 63 20.889 15.671 -20.084 1.00 30.14 C ATOM 515 N SER B 64 26.544 17.762 -15.923 1.00 40.42 N ATOM 516 CA SER B 64 27.893 17.930 -15.412 1.00 37.65 C ATOM 517 C SER B 64 28.334 16.639 -14.749 1.00 36.27 C ATOM 518 O SER B 64 27.522 15.928 -14.149 1.00 44.30 O ATOM 519 CB SER B 64 27.989 19.104 -14.423 1.00 30.29 C ATOM 520 OG SER B 64 27.117 18.924 -13.329 1.00 48.08 O ATOM 521 N GLY B 65 29.615 16.327 -14.892 1.00 32.98 N ATOM 522 CA GLY B 65 30.189 15.174 -14.240 1.00 31.27 C ATOM 523 C GLY B 65 31.099 15.608 -13.112 1.00 43.08 C ATOM 524 O GLY B 65 31.606 16.736 -13.117 1.00 38.18 O ATOM 525 N SER B 66 31.307 14.729 -12.136 1.00 31.80 N ATOM 526 CA SER B 66 32.238 15.019 -11.056 1.00 35.54 C ATOM 527 C SER B 66 32.768 13.708 -10.506 1.00 42.37 C ATOM 528 O SER B 66 32.205 12.638 -10.750 1.00 40.92 O ATOM 529 CB SER B 66 31.576 15.842 -9.951 1.00 34.79 C ATOM 530 OG SER B 66 30.528 15.113 -9.340 1.00 45.00 O ATOM 531 N ILE B 67 33.874 13.799 -9.777 1.00 37.93 N ATOM 532 CA ILE B 67 34.455 12.654 -9.092 1.00 32.19 C ATOM 533 C ILE B 67 34.583 13.009 -7.617 1.00 41.28 C ATOM 534 O ILE B 67 34.803 14.167 -7.254 1.00 42.42 O ATOM 535 CB ILE B 67 35.823 12.247 -9.681 1.00 34.67 C ATOM 536 CG1 ILE B 67 35.711 11.972 -11.178 1.00 39.56 C ATOM 537 CG2 ILE B 67 36.364 11.008 -8.991 1.00 37.33 C ATOM 538 CD1 ILE B 67 34.930 10.716 -11.510 1.00 39.18 C ATOM 539 N ASP B 68 34.408 12.004 -6.758 1.00 55.58 N ATOM 540 CA ASP B 68 34.566 12.183 -5.314 1.00 53.90 C ATOM 541 C ASP B 68 35.333 10.969 -4.797 1.00 50.73 C ATOM 542 O ASP B 68 34.744 9.989 -4.340 1.00 55.45 O ATOM 543 CB ASP B 68 33.222 12.352 -4.612 1.00 52.63 C ATOM 544 CG ASP B 68 33.372 12.782 -3.169 1.00 70.89 C ATOM 545 OD1 ASP B 68 34.424 13.362 -2.831 1.00 70.17 O ATOM 546 OD2 ASP B 68 32.437 12.545 -2.375 1.00 63.56 O ATOM 547 N SER B 69 36.665 11.038 -4.898 1.00 66.72 N ATOM 548 CA SER B 69 37.508 10.000 -4.314 1.00 56.72 C ATOM 549 C SER B 69 37.233 9.851 -2.826 1.00 54.96 C ATOM 550 O SER B 69 37.336 8.745 -2.282 1.00 38.43 O ATOM 551 CB SER B 69 38.985 10.325 -4.552 1.00 60.19 C ATOM 552 OG SER B 69 39.274 10.443 -5.936 1.00 42.04 O ATOM 553 N SER B 70 36.854 10.950 -2.165 1.00 60.95 N ATOM 554 CA SER B 70 36.495 10.926 -0.750 1.00 74.68 C ATOM 555 C SER B 70 35.438 9.875 -0.434 1.00 64.70 C ATOM 556 O SER B 70 35.371 9.402 0.707 1.00 60.77 O ATOM 557 CB SER B 70 36.019 12.322 -0.323 1.00 61.72 C ATOM 558 OG SER B 70 34.973 12.256 0.629 1.00 63.17 O ATOM 559 N SER B 71 34.617 9.492 -1.418 1.00 72.43 N ATOM 560 CA SER B 71 33.688 8.377 -1.281 1.00 60.04 C ATOM 561 C SER B 71 33.811 7.373 -2.422 1.00 46.97 C ATOM 562 O SER B 71 32.947 6.499 -2.552 1.00 54.38 O ATOM 563 CB SER B 71 32.246 8.885 -1.191 1.00 60.12 C ATOM 564 OG SER B 71 31.868 9.534 -2.390 1.00 66.45 O ATOM 565 N ASN B 72 34.851 7.490 -3.256 1.00 54.45 N ATOM 566 CA ASN B 72 35.149 6.546 -4.343 1.00 49.36 C ATOM 567 C ASN B 72 34.026 6.471 -5.380 1.00 48.73 C ATOM 568 O ASN B 72 33.740 5.410 -5.940 1.00 37.05 O ATOM 569 CB ASN B 72 35.460 5.155 -3.796 1.00 38.56 C ATOM 570 CG ASN B 72 36.335 4.350 -4.731 1.00 48.74 C ATOM 571 OD1 ASN B 72 37.325 4.858 -5.260 1.00 60.35 O ATOM 572 ND2 ASN B 72 35.977 3.087 -4.941 1.00 42.74 N ATOM 573 N SER B 73 33.410 7.608 -5.678 1.00 48.33 N ATOM 574 CA SER B 73 32.241 7.622 -6.540 1.00 52.86 C ATOM 575 C SER B 73 32.353 8.705 -7.607 1.00 53.49 C ATOM 576 O SER B 73 32.987 9.745 -7.404 1.00 46.21 O ATOM 577 CB SER B 73 30.968 7.837 -5.716 1.00 29.91 C ATOM 578 OG SER B 73 30.901 9.164 -5.229 1.00 46.13 O ATOM 579 N ALA B 74 31.719 8.444 -8.749 1.00 50.25 N ATOM 580 CA ALA B 74 31.487 9.427 -9.795 1.00 35.76 C ATOM 581 C ALA B 74 30.006 9.788 -9.828 1.00 42.54 C ATOM 582 O ALA B 74 29.145 8.956 -9.530 1.00 40.22 O ATOM 583 CB ALA B 74 31.930 8.889 -11.156 1.00 32.38 C ATOM 584 N SER B 75 29.708 11.036 -10.185 1.00 33.28 N ATOM 585 CA SER B 75 28.344 11.545 -10.162 1.00 28.93 C ATOM 586 C SER B 75 28.021 12.260 -11.464 1.00 44.68 C ATOM 587 O SER B 75 28.825 13.064 -11.954 1.00 35.04 O ATOM 588 CB SER B 75 28.128 12.506 -8.991 1.00 34.55 C ATOM 589 OG SER B 75 28.116 11.818 -7.753 1.00 42.96 O ATOM 590 N LEU B 76 26.844 11.964 -12.017 1.00 38.75 N ATOM 591 CA LEU B 76 26.246 12.749 -13.092 1.00 33.68 C ATOM 592 C LEU B 76 25.165 13.627 -12.479 1.00 38.15 C ATOM 593 O LEU B 76 24.231 13.121 -11.846 1.00 32.96 O ATOM 594 CB LEU B 76 25.655 11.852 -14.185 1.00 33.36 C ATOM 595 CG LEU B 76 24.963 12.546 -15.367 1.00 27.13 C ATOM 596 CD1 LEU B 76 25.987 13.325 -16.192 1.00 28.05 C ATOM 597 CD2 LEU B 76 24.224 11.557 -16.277 1.00 24.03 C ATOM 598 N THR B 77 25.299 14.937 -12.644 1.00 34.09 N ATOM 599 CA THR B 77 24.311 15.882 -12.149 1.00 30.11 C ATOM 600 C THR B 77 23.609 16.523 -13.334 1.00 37.41 C ATOM 601 O THR B 77 24.261 16.980 -14.279 1.00 38.71 O ATOM 602 CB THR B 77 24.952 16.946 -11.255 1.00 30.47 C ATOM 603 OG1 THR B 77 25.689 16.294 -10.217 1.00 46.37 O ATOM 604 CG2 THR B 77 23.886 17.812 -10.619 1.00 35.89 C ATOM 605 N ILE B 78 22.284 16.510 -13.296 1.00 30.44 N ATOM 606 CA ILE B 78 21.449 17.120 -14.317 1.00 34.89 C ATOM 607 C ILE B 78 20.637 18.185 -13.607 1.00 31.78 C ATOM 608 O ILE B 78 19.810 17.868 -12.743 1.00 41.94 O ATOM 609 CB ILE B 78 20.541 16.099 -15.017 1.00 36.37 C ATOM 610 CG1 ILE B 78 21.345 14.891 -15.490 1.00 31.17 C ATOM 611 CG2 ILE B 78 19.836 16.743 -16.198 1.00 38.88 C ATOM 612 CD1 ILE B 78 20.480 13.755 -16.002 1.00 39.33 C ATOM 613 N SER B 79 20.881 19.444 -13.949 1.00 35.00 N ATOM 614 CA SER B 79 20.175 20.575 -13.364 1.00 40.12 C ATOM 615 C SER B 79 19.104 21.085 -14.318 1.00 43.87 C ATOM 616 O SER B 79 19.241 20.990 -15.539 1.00 47.74 O ATOM 617 CB SER B 79 21.150 21.704 -13.044 1.00 48.39 C ATOM 618 OG SER B 79 21.838 22.090 -14.219 1.00 46.43 O ATOM 619 N GLY B 80 18.040 21.650 -13.751 1.00 44.29 N ATOM 620 CA GLY B 80 16.946 22.143 -14.566 1.00 38.18 C ATOM 621 C GLY B 80 16.375 21.048 -15.438 1.00 39.24 C ATOM 622 O GLY B 80 16.449 21.116 -16.668 1.00 42.60 O ATOM 623 N LEU B 81 15.811 20.028 -14.796 1.00 50.54 N ATOM 624 CA LEU B 81 15.397 18.815 -15.488 1.00 49.02 C ATOM 625 C LEU B 81 14.369 19.100 -16.568 1.00 29.73 C ATOM 626 O LEU B 81 13.467 19.920 -16.391 1.00 46.97 O ATOM 627 CB LEU B 81 14.811 17.822 -14.492 1.00 50.70 C ATOM 628 CG LEU B 81 15.851 16.888 -13.911 1.00 51.72 C ATOM 629 CD1 LEU B 81 15.192 15.973 -12.903 1.00 46.65 C ATOM 630 CD2 LEU B 81 16.486 16.109 -15.048 1.00 42.00 C ATOM 631 N LYS B 82 14.487 18.379 -17.678 1.00 40.17 N ATOM 632 CA LYS B 82 13.528 18.467 -18.766 1.00 47.08 C ATOM 633 C LYS B 82 12.981 17.082 -19.091 1.00 51.68 C ATOM 634 O LYS B 82 13.660 16.069 -18.902 1.00 39.90 O ATOM 635 CB LYS B 82 14.161 19.090 -20.017 1.00 45.49 C ATOM 636 CG LYS B 82 14.487 20.579 -19.900 1.00 45.17 C ATOM 637 CD LYS B 82 14.782 21.137 -21.279 1.00 45.51 C ATOM 638 CE LYS B 82 15.467 22.486 -21.241 1.00 33.86 C ATOM 639 NZ LYS B 82 15.990 22.796 -22.610 1.00 48.91 N ATOM 640 N THR B 83 11.737 17.059 -19.587 1.00 47.46 N ATOM 641 CA THR B 83 11.098 15.808 -19.992 1.00 42.60 C ATOM 642 C THR B 83 12.007 14.982 -20.887 1.00 45.06 C ATOM 643 O THR B 83 12.107 13.759 -20.731 1.00 37.01 O ATOM 644 CB THR B 83 9.785 16.110 -20.721 1.00 44.89 C ATOM 645 OG1 THR B 83 8.931 16.886 -19.872 1.00 50.56 O ATOM 646 CG2 THR B 83 9.070 14.819 -21.130 1.00 35.18 C ATOM 647 N GLU B 84 12.686 15.642 -21.828 1.00 37.81 N ATOM 648 CA GLU B 84 13.557 14.958 -22.774 1.00 36.30 C ATOM 649 C GLU B 84 14.696 14.225 -22.089 1.00 29.42 C ATOM 650 O GLU B 84 15.335 13.373 -22.720 1.00 33.14 O ATOM 651 CB GLU B 84 14.123 15.968 -23.780 1.00 36.79 C ATOM 652 CG GLU B 84 15.065 17.003 -23.159 1.00 41.97 C ATOM 653 CD GLU B 84 15.133 18.299 -23.956 1.00 41.10 C ATOM 654 OE1 GLU B 84 14.113 19.015 -24.007 1.00 37.30 O ATOM 655 OE2 GLU B 84 16.200 18.597 -24.540 1.00 44.18 O ATOM 656 N ASP B 85 14.972 14.536 -20.820 1.00 30.96 N ATOM 657 CA ASP B 85 16.048 13.871 -20.092 1.00 31.37 C ATOM 658 C ASP B 85 15.635 12.522 -19.513 1.00 35.15 C ATOM 659 O ASP B 85 16.496 11.805 -18.991 1.00 30.19 O ATOM 660 CB ASP B 85 16.566 14.763 -18.958 1.00 36.43 C ATOM 661 CG ASP B 85 17.031 16.127 -19.443 1.00 32.48 C ATOM 662 OD1 ASP B 85 17.570 16.214 -20.566 1.00 35.70 O ATOM 663 OD2 ASP B 85 16.865 17.109 -18.690 1.00 39.74 O ATOM 664 N GLU B 86 14.352 12.167 -19.581 1.00 34.36 N ATOM 665 CA GLU B 86 13.890 10.864 -19.123 1.00 29.38 C ATOM 666 C GLU B 86 14.541 9.749 -19.931 1.00 32.43 C ATOM 667 O GLU B 86 14.276 9.589 -21.127 1.00 29.34 O ATOM 668 CB GLU B 86 12.365 10.766 -19.201 1.00 39.86 C ATOM 669 CG GLU B 86 11.849 9.365 -18.934 1.00 36.46 C ATOM 670 CD GLU B 86 10.455 9.341 -18.334 1.00 35.66 C ATOM 671 OE1 GLU B 86 10.085 10.289 -17.613 1.00 38.95 O ATOM 672 OE2 GLU B 86 9.724 8.367 -18.602 1.00 50.30 O ATOM 673 N ALA B 87 15.378 8.961 -19.268 1.00 25.28 N ATOM 674 CA ALA B 87 16.285 8.037 -19.933 1.00 28.38 C ATOM 675 C ALA B 87 17.006 7.238 -18.862 1.00 23.65 C ATOM 676 O ALA B 87 16.973 7.585 -17.681 1.00 25.19 O ATOM 677 CB ALA B 87 17.304 8.777 -20.805 1.00 20.79 C ATOM 678 N ASP B 88 17.650 6.158 -19.291 1.00 25.34 N ATOM 679 CA ASP B 88 18.652 5.501 -18.471 1.00 31.04 C ATOM 680 C ASP B 88 19.997 6.186 -18.646 1.00 35.74 C ATOM 681 O ASP B 88 20.337 6.638 -19.740 1.00 23.16 O ATOM 682 CB ASP B 88 18.790 4.035 -18.854 1.00 27.48 C ATOM 683 CG ASP B 88 17.821 3.159 -18.113 1.00 34.69 C ATOM 684 OD1 ASP B 88 18.042 2.929 -16.909 1.00 36.99 O ATOM 685 OD2 ASP B 88 16.848 2.703 -18.732 1.00 30.80 O ATOM 686 N TYR B 89 20.768 6.253 -17.568 1.00 29.24 N ATOM 687 CA TYR B 89 22.116 6.801 -17.609 1.00 24.07 C ATOM 688 C TYR B 89 23.081 5.763 -17.068 1.00 29.47 C ATOM 689 O TYR B 89 22.881 5.235 -15.967 1.00 30.35 O ATOM 690 CB TYR B 89 22.214 8.099 -16.813 1.00 24.97 C ATOM 691 CG TYR B 89 21.386 9.195 -17.408 1.00 23.39 C ATOM 692 CD1 TYR B 89 20.070 9.386 -17.013 1.00 24.35 C ATOM 693 CD2 TYR B 89 21.899 10.006 -18.409 1.00 27.18 C ATOM 694 CE1 TYR B 89 19.297 10.373 -17.575 1.00 23.73 C ATOM 695 CE2 TYR B 89 21.135 10.993 -18.977 1.00 24.20 C ATOM 696 CZ TYR B 89 19.840 11.178 -18.558 1.00 21.16 C ATOM 697 OH TYR B 89 19.072 12.168 -19.125 1.00 26.26 O ATOM 698 N TYR B 90 24.115 5.466 -17.850 1.00 26.56 N ATOM 699 CA TYR B 90 25.096 4.441 -17.522 1.00 25.60 C ATOM 700 C TYR B 90 26.456 5.085 -17.305 1.00 36.95 C ATOM 701 O TYR B 90 26.882 5.916 -18.111 1.00 33.20 O ATOM 702 CB TYR B 90 25.191 3.398 -18.641 1.00 31.72 C ATOM 703 CG TYR B 90 23.978 2.493 -18.769 1.00 34.83 C ATOM 704 CD1 TYR B 90 22.814 2.927 -19.399 1.00 31.02 C ATOM 705 CD2 TYR B 90 24.003 1.197 -18.264 1.00 33.38 C ATOM 706 CE1 TYR B 90 21.706 2.094 -19.511 1.00 33.76 C ATOM 707 CE2 TYR B 90 22.902 0.355 -18.377 1.00 30.70 C ATOM 708 CZ TYR B 90 21.758 0.805 -18.992 1.00 27.88 C ATOM 709 OH TYR B 90 20.669 -0.033 -19.102 1.00 30.00 O ATOM 710 N CYS B 91 27.134 4.713 -16.220 1.00 34.73 N ATOM 711 CA CYS B 91 28.552 5.017 -16.083 1.00 27.42 C ATOM 712 C CYS B 91 29.373 3.873 -16.652 1.00 37.93 C ATOM 713 O CYS B 91 28.979 2.705 -16.590 1.00 32.26 O ATOM 714 CB CYS B 91 28.950 5.253 -14.631 1.00 35.96 C ATOM 715 SG CYS B 91 28.546 3.877 -13.540 1.00 39.79 S ATOM 716 N GLN B 92 30.516 4.228 -17.226 1.00 33.64 N ATOM 717 CA GLN B 92 31.405 3.286 -17.881 1.00 31.29 C ATOM 718 C GLN B 92 32.838 3.730 -17.632 1.00 31.60 C ATOM 719 O GLN B 92 33.143 4.924 -17.672 1.00 32.57 O ATOM 720 CB GLN B 92 31.112 3.198 -19.387 1.00 30.45 C ATOM 721 CG GLN B 92 32.059 2.327 -20.210 1.00 36.12 C ATOM 722 CD GLN B 92 33.208 3.105 -20.838 1.00 48.74 C ATOM 723 OE1 GLN B 92 33.008 4.176 -21.411 1.00 49.44 O ATOM 724 NE2 GLN B 92 34.413 2.558 -20.749 1.00 35.52 N ATOM 725 N SER B 93 33.706 2.767 -17.355 1.00 35.73 N ATOM 726 CA SER B 93 35.118 3.060 -17.164 1.00 47.43 C ATOM 727 C SER B 93 35.937 1.865 -17.623 1.00 40.49 C ATOM 728 O SER B 93 35.510 1.123 -18.515 1.00 32.97 O ATOM 729 CB SER B 93 35.411 3.404 -15.700 1.00 47.83 C ATOM 730 OG SER B 93 36.727 3.905 -15.535 1.00 44.71 O ATOM 731 N TYR B 94 37.116 1.677 -17.030 1.00 49.23 N ATOM 732 CA TYR B 94 37.992 0.565 -17.370 1.00 42.92 C ATOM 733 C TYR B 94 38.585 -0.010 -16.094 1.00 34.28 C ATOM 734 O TYR B 94 38.827 0.712 -15.122 1.00 48.76 O ATOM 735 CB TYR B 94 39.131 0.980 -18.316 1.00 44.22 C ATOM 736 CG TYR B 94 38.686 1.657 -19.589 1.00 36.14 C ATOM 737 CD1 TYR B 94 38.392 3.015 -19.607 1.00 43.34 C ATOM 738 CD2 TYR B 94 38.579 0.944 -20.778 1.00 50.42 C ATOM 739 CE1 TYR B 94 37.990 3.645 -20.775 1.00 44.18 C ATOM 740 CE2 TYR B 94 38.183 1.563 -21.948 1.00 48.13 C ATOM 741 CZ TYR B 94 37.888 2.916 -21.940 1.00 50.98 C ATOM 742 OH TYR B 94 37.491 3.544 -23.102 1.00 58.82 O ATOM 743 N ASP B 95 38.811 -1.320 -16.102 1.00 45.65 N ATOM 744 CA ASP B 95 39.461 -1.971 -14.976 1.00 57.52 C ATOM 745 C ASP B 95 40.979 -1.858 -15.112 1.00 65.97 C ATOM 746 O ASP B 95 41.505 -1.252 -16.052 1.00 55.91 O ATOM 747 CB ASP B 95 39.023 -3.433 -14.872 1.00 54.38 C ATOM 748 CG ASP B 95 39.316 -4.235 -16.134 1.00 49.19 C ATOM 749 OD1 ASP B 95 40.038 -3.743 -17.028 1.00 66.54 O ATOM 750 OD2 ASP B 95 38.823 -5.376 -16.230 1.00 69.04 O ATOM 751 N SER B 96 41.694 -2.481 -14.169 1.00 57.99 N ATOM 752 CA SER B 96 43.153 -2.473 -14.210 1.00 68.13 C ATOM 753 C SER B 96 43.692 -3.067 -15.508 1.00 50.77 C ATOM 754 O SER B 96 44.810 -2.740 -15.920 1.00 74.35 O ATOM 755 CB SER B 96 43.714 -3.239 -13.010 1.00 68.92 C ATOM 756 OG SER B 96 43.527 -4.637 -13.168 1.00 63.68 O ATOM 757 N SER B 97 42.914 -3.920 -16.174 1.00 59.19 N ATOM 758 CA SER B 97 43.363 -4.639 -17.358 1.00 59.18 C ATOM 759 C SER B 97 42.836 -4.038 -18.657 1.00 71.47 C ATOM 760 O SER B 97 42.819 -4.722 -19.687 1.00 67.23 O ATOM 761 CB SER B 97 42.959 -6.108 -17.254 1.00 57.80 C ATOM 762 OG SER B 97 43.188 -6.792 -18.471 1.00 68.25 O ATOM 763 N ASN B 98 42.399 -2.780 -18.626 1.00 66.54 N ATOM 764 CA ASN B 98 41.967 -2.065 -19.833 1.00 75.08 C ATOM 765 C ASN B 98 40.717 -2.699 -20.441 1.00 76.55 C ATOM 766 O ASN B 98 40.582 -2.793 -21.665 1.00 61.10 O ATOM 767 CB ASN B 98 43.087 -1.990 -20.876 1.00 86.91 C ATOM 768 CG ASN B 98 44.353 -1.355 -20.331 1.00 96.87 C ATOM 769 OD1 ASN B 98 44.320 -0.618 -19.345 1.00 85.29 O ATOM 770 ND2 ASN B 98 45.491 -1.670 -20.955 1.00 88.22 N ATOM 771 N HIS B 99 39.801 -3.147 -19.580 1.00 67.62 N ATOM 772 CA HIS B 99 38.548 -3.761 -19.997 1.00 59.81 C ATOM 773 C HIS B 99 37.380 -2.846 -19.659 1.00 43.04 C ATOM 774 O HIS B 99 37.361 -2.199 -18.609 1.00 52.39 O ATOM 775 CB HIS B 99 38.335 -5.126 -19.328 1.00 60.44 C ATOM 776 CG HIS B 99 39.194 -6.214 -19.892 1.00 83.03 C ATOM 777 ND1 HIS B 99 39.777 -6.128 -21.139 1.00 82.95 N ATOM 778 CD2 HIS B 99 39.547 -7.425 -19.395 1.00 73.21 C ATOM 779 CE1 HIS B 99 40.470 -7.228 -21.376 1.00 74.47 C ATOM 780 NE2 HIS B 99 40.344 -8.032 -20.335 1.00 81.58 N ATOM 781 N VAL B 100 36.396 -2.816 -20.555 1.00 52.16 N ATOM 782 CA VAL B 100 35.193 -2.021 -20.333 1.00 36.84 C ATOM 783 C VAL B 100 34.445 -2.569 -19.124 1.00 38.82 C ATOM 784 O VAL B 100 34.095 -3.753 -19.076 1.00 53.14 O ATOM 785 CB VAL B 100 34.292 -2.034 -21.573 1.00 44.31 C ATOM 786 CG1 VAL B 100 33.105 -1.099 -21.378 1.00 50.41 C ATOM 787 CG2 VAL B 100 35.073 -1.656 -22.792 1.00 51.49 C ATOM 788 N VAL B 101 34.182 -1.704 -18.150 1.00 47.29 N ATOM 789 CA VAL B 101 33.274 -2.015 -17.056 1.00 40.46 C ATOM 790 C VAL B 101 32.241 -0.903 -17.007 1.00 46.59 C ATOM 791 O VAL B 101 32.530 0.248 -17.350 1.00 40.59 O ATOM 792 CB VAL B 101 33.999 -2.165 -15.697 1.00 40.81 C ATOM 793 CG1 VAL B 101 35.244 -3.025 -15.846 1.00 50.58 C ATOM 794 CG2 VAL B 101 34.343 -0.809 -15.097 1.00 43.99 C ATOM 795 N PHE B 102 31.024 -1.253 -16.600 1.00 38.67 N ATOM 796 CA PHE B 102 29.935 -0.288 -16.593 1.00 34.60 C ATOM 797 C PHE B 102 28.939 -0.629 -15.494 1.00 41.86 C ATOM 798 O PHE B 102 28.806 -1.785 -15.085 1.00 36.83 O ATOM 799 CB PHE B 102 29.231 -0.232 -17.954 1.00 46.10 C ATOM 800 CG PHE B 102 28.885 -1.578 -18.508 1.00 34.90 C ATOM 801 CD1 PHE B 102 27.676 -2.170 -18.204 1.00 45.03 C ATOM 802 CD2 PHE B 102 29.775 -2.254 -19.326 1.00 46.73 C ATOM 803 CE1 PHE B 102 27.354 -3.416 -18.706 1.00 44.25 C ATOM 804 CE2 PHE B 102 29.463 -3.502 -19.833 1.00 58.09 C ATOM 805 CZ PHE B 102 28.247 -4.084 -19.523 1.00 49.82 C ATOM 806 N GLY B 103 28.254 0.397 -15.008 1.00 32.04 N ATOM 807 CA GLY B 103 27.182 0.198 -14.063 1.00 39.61 C ATOM 808 C GLY B 103 25.953 -0.391 -14.728 1.00 31.44 C ATOM 809 O GLY B 103 25.883 -0.575 -15.943 1.00 35.86 O ATOM 810 N GLY B 104 24.963 -0.698 -13.903 1.00 36.03 N ATOM 811 CA GLY B 104 23.757 -1.298 -14.429 1.00 39.42 C ATOM 812 C GLY B 104 22.757 -0.327 -14.999 1.00 38.55 C ATOM 813 O GLY B 104 21.719 -0.757 -15.509 1.00 30.31 O ATOM 814 N GLY B 105 23.039 0.974 -14.915 1.00 29.44 N ATOM 815 CA GLY B 105 22.130 1.990 -15.403 1.00 23.37 C ATOM 816 C GLY B 105 21.183 2.493 -14.343 1.00 25.24 C ATOM 817 O GLY B 105 20.720 1.726 -13.495 1.00 32.45 O ATOM 818 N THR B 106 20.898 3.792 -14.379 1.00 21.01 N ATOM 819 CA THR B 106 19.903 4.426 -13.524 1.00 21.33 C ATOM 820 C THR B 106 18.849 5.049 -14.425 1.00 29.90 C ATOM 821 O THR B 106 19.152 5.982 -15.176 1.00 25.70 O ATOM 822 CB THR B 106 20.530 5.498 -12.631 1.00 27.05 C ATOM 823 OG1 THR B 106 21.518 4.910 -11.770 1.00 26.56 O ATOM 824 CG2 THR B 106 19.465 6.200 -11.795 1.00 17.34 C ATOM 825 N ALYS B 107 17.622 4.533 -14.364 0.84 26.19 N ATOM 826 N BLYS B 107 17.625 4.534 -14.351 0.16 26.32 N ATOM 827 CA ALYS B 107 16.525 5.098 -15.142 0.84 26.81 C ATOM 828 CA BLYS B 107 16.511 5.090 -15.108 0.16 26.74 C ATOM 829 C ALYS B 107 16.011 6.348 -14.439 0.84 26.02 C ATOM 830 C BLYS B 107 16.015 6.356 -14.422 0.16 26.10 C ATOM 831 O ALYS B 107 15.555 6.288 -13.294 0.84 26.51 O ATOM 832 O BLYS B 107 15.556 6.309 -13.275 0.16 26.50 O ATOM 833 CB ALYS B 107 15.404 4.076 -15.336 0.84 27.52 C ATOM 834 CB BLYS B 107 15.384 4.067 -15.230 0.16 27.55 C ATOM 835 CG ALYS B 107 14.155 4.611 -16.061 0.84 24.23 C ATOM 836 CG BLYS B 107 14.079 4.626 -15.786 0.16 25.29 C ATOM 837 CD ALYS B 107 14.503 5.210 -17.429 0.84 30.22 C ATOM 838 CD BLYS B 107 14.209 5.000 -17.252 0.16 29.49 C ATOM 839 CE ALYS B 107 13.258 5.683 -18.185 0.84 28.54 C ATOM 840 CE BLYS B 107 12.899 5.550 -17.795 0.16 29.37 C ATOM 841 NZ ALYS B 107 12.390 4.561 -18.643 0.84 27.58 N ATOM 842 NZ BLYS B 107 12.923 5.680 -19.276 0.16 27.83 N ATOM 843 N LEU B 108 16.115 7.485 -15.114 1.00 26.70 N ATOM 844 CA LEU B 108 15.588 8.744 -14.607 1.00 23.07 C ATOM 845 C LEU B 108 14.132 8.906 -15.049 1.00 25.12 C ATOM 846 O LEU B 108 13.836 8.928 -16.247 1.00 30.09 O ATOM 847 CB LEU B 108 16.439 9.912 -15.102 1.00 27.30 C ATOM 848 CG LEU B 108 15.863 11.296 -14.823 1.00 25.61 C ATOM 849 CD1 LEU B 108 15.718 11.536 -13.341 1.00 27.06 C ATOM 850 CD2 LEU B 108 16.748 12.347 -15.463 1.00 31.95 C ATOM 851 N THR B 109 13.227 9.010 -14.087 1.00 30.38 N ATOM 852 CA THR B 109 11.826 9.295 -14.371 1.00 39.19 C ATOM 853 C THR B 109 11.562 10.759 -14.050 1.00 30.72 C ATOM 854 O THR B 109 11.851 11.215 -12.941 1.00 31.66 O ATOM 855 CB THR B 109 10.901 8.389 -13.559 1.00 34.79 C ATOM 856 OG1 THR B 109 11.035 7.042 -14.030 1.00 30.75 O ATOM 857 CG2 THR B 109 9.451 8.834 -13.706 1.00 33.78 C ATOM 858 N VAL B 110 11.041 11.497 -15.022 1.00 36.59 N ATOM 859 CA VAL B 110 10.723 12.905 -14.833 1.00 41.66 C ATOM 860 C VAL B 110 9.226 12.994 -14.581 1.00 45.82 C ATOM 861 O VAL B 110 8.414 12.684 -15.461 1.00 39.80 O ATOM 862 CB VAL B 110 11.159 13.765 -16.028 1.00 43.27 C ATOM 863 CG1 VAL B 110 10.932 15.237 -15.717 1.00 43.38 C ATOM 864 CG2 VAL B 110 12.620 13.534 -16.337 1.00 32.81 C ATOM 865 N LEU B 111 8.868 13.394 -13.368 1.00 41.40 N ATOM 866 CA LEU B 111 7.478 13.449 -12.949 1.00 41.23 C ATOM 867 C LEU B 111 6.857 14.758 -13.406 1.00 50.21 C ATOM 868 O LEU B 111 6.463 14.914 -14.563 1.00 49.12 O ATOM 869 CB LEU B 111 7.372 13.317 -11.428 1.00 43.93 C ATOM 870 CG LEU B 111 8.135 12.160 -10.773 1.00 42.25 C ATOM 871 CD1 LEU B 111 8.730 12.613 -9.450 1.00 32.49 C ATOM 872 CD2 LEU B 111 7.243 10.952 -10.568 1.00 45.19 C ATOM 873 OXT LEU B 111 6.755 15.701 -12.622 1.00 68.52 O TER 874 LEU B 111 HETATM 875 O HOH B 201 33.268 15.475 -6.209 1.00 52.61 O HETATM 876 O HOH B 202 29.234 5.426 -2.772 1.00 59.16 O HETATM 877 O HOH B 203 38.226 8.746 -13.136 1.00 35.36 O HETATM 878 O HOH B 204 29.459 20.725 -17.778 1.00 45.11 O HETATM 879 O HOH B 205 15.209 1.156 -17.923 1.00 26.71 O HETATM 880 O HOH B 206 12.001 18.280 -23.135 1.00 46.71 O HETATM 881 O HOH B 207 39.115 4.172 -11.796 1.00 55.18 O HETATM 882 O HOH B 208 26.362 3.783 -6.040 1.00 49.40 O HETATM 883 O HOH B 209 18.561 0.911 -20.028 1.00 37.60 O HETATM 884 O HOH B 210 37.709 17.776 -24.038 1.00 34.38 O HETATM 885 O HOH B 211 24.786 19.769 -13.596 1.00 39.65 O HETATM 886 O HOH B 212 10.997 2.967 -17.316 1.00 30.81 O HETATM 887 O HOH B 213 30.715 -0.817 -6.966 1.00 43.17 O HETATM 888 O HOH B 214 20.299 10.096 -26.044 1.00 34.41 O HETATM 889 O HOH B 215 14.007 21.498 -24.744 1.00 54.61 O HETATM 890 O HOH B 216 19.242 7.443 -26.679 1.00 32.09 O HETATM 891 O HOH B 217 10.468 6.125 -20.040 1.00 36.68 O HETATM 892 O HOH B 218 31.128 18.494 -16.287 1.00 32.33 O HETATM 893 O HOH B 219 30.754 11.117 -7.135 1.00 46.20 O HETATM 894 O HOH B 220 33.939 18.510 -25.946 1.00 38.22 O HETATM 895 O HOH B 221 41.020 5.800 -18.226 1.00 38.40 O HETATM 896 O HOH B 222 12.972 5.811 -12.698 1.00 27.39 O HETATM 897 O HOH B 223 27.144 -3.864 -15.088 1.00 31.78 O HETATM 898 O HOH B 224 31.974 11.771 -13.639 1.00 32.41 O HETATM 899 O HOH B 225 33.595 17.856 -28.174 1.00 57.94 O HETATM 900 O HOH B 226 39.007 14.181 -13.724 1.00 49.49 O HETATM 901 O HOH B 227 28.305 15.713 -10.807 1.00 38.06 O HETATM 902 O HOH B 228 18.348 14.854 -23.104 1.00 30.23 O HETATM 903 O HOH B 229 13.957 9.185 -6.749 1.00 47.35 O HETATM 904 O HOH B 230 16.232 3.497 -21.521 1.00 34.19 O HETATM 905 O HOH B 231 22.584 -1.557 -8.540 1.00 30.03 O HETATM 906 O HOH B 232 21.572 -0.383 -11.889 1.00 32.86 O HETATM 907 O HOH B 233 39.747 1.748 -12.668 1.00 43.04 O HETATM 908 O HOH B 234 38.700 -7.142 -4.576 1.00 53.50 O HETATM 909 O HOH B 235 10.970 19.603 -20.550 1.00 49.11 O HETATM 910 O HOH B 236 22.759 8.059 -7.049 1.00 39.34 O HETATM 911 O HOH B 237 28.831 18.213 -11.192 1.00 41.93 O HETATM 912 O HOH B 238 36.593 4.718 -12.743 1.00 40.65 O HETATM 913 O HOH B 239 38.876 15.809 -16.703 1.00 41.90 O HETATM 914 O HOH B 240 28.236 8.557 -28.376 1.00 43.11 O HETATM 915 O HOH B 241 7.059 10.429 -16.674 1.00 44.79 O HETATM 916 O HOH B 242 24.617 -1.054 -11.039 1.00 35.55 O HETATM 917 O HOH B 243 41.981 1.138 -9.340 1.00 49.54 O HETATM 918 O HOH B 244 37.139 6.359 -23.984 1.00 60.46 O HETATM 919 O HOH B 245 34.145 18.278 -12.221 1.00 39.77 O HETATM 920 O HOH B 246 24.868 4.678 -30.546 1.00 42.50 O HETATM 921 O HOH B 247 41.026 10.157 -13.756 1.00 47.75 O HETATM 922 O HOH B 248 11.571 11.298 -5.997 1.00 54.43 O HETATM 923 O HOH B 249 23.996 24.712 -23.047 1.00 36.46 O HETATM 924 O HOH B 250 42.664 8.874 -14.867 1.00 52.44 O HETATM 925 O HOH B 251 41.191 -3.257 -10.725 1.00 49.47 O HETATM 926 O HOH B 252 19.913 6.446 -32.293 1.00 41.74 O HETATM 927 O HOH B 253 26.876 4.033 -1.906 1.00 43.22 O HETATM 928 O HOH B 254 39.763 -5.056 -2.852 1.00 47.67 O HETATM 929 O HOH B 255 11.754 6.077 -10.424 1.00 28.15 O HETATM 930 O HOH B 256 43.537 8.079 -16.780 1.00 48.20 O CONECT 176 715 174 CONECT 177 715 175 CONECT 715 714 176 177 END If you find results from this site helpful for your research, please cite one of our papers:
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