allpy
diff test/1kfm.pdb @ 120:5e7851709c95
lib::block geometrical_core completed, not tested
| author | boris <bnagaev@gmail.com> |
|---|---|
| date | Sat, 23 Oct 2010 22:45:35 +0400 |
| parents | |
| children |
line diff
1.1 --- /dev/null Thu Jan 01 00:00:00 1970 +0000 1.2 +++ b/test/1kfm.pdb Sat Oct 23 22:45:35 2010 +0400 1.3 @@ -0,0 +1,703 @@ 1.4 +HEADER MEMBRANE PROTEIN 21-NOV-01 1KFM 1.5 +TITLE CORE SIDE-CHAIN PACKING AND BACKBONE CONFORMATION IN LPP-56 1.6 +TITLE 2 COILED-COIL MUTANTS 1.7 +COMPND MOL_ID: 1; 1.8 +COMPND 2 MOLECULE: MAJOR OUTER MEMBRANE LIPOPROTEIN; 1.9 +COMPND 3 CHAIN: A; 1.10 +COMPND 4 SYNONYM: MUREIN-LIPOPROTEIN LPP, MUREIN-LIPOPROTEIN LPP; 1.11 +COMPND 5 ENGINEERED: YES; 1.12 +COMPND 6 MUTATION: YES 1.13 +SOURCE MOL_ID: 1; 1.14 +SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; 1.15 +SOURCE 3 ORGANISM_TAXID: 562; 1.16 +SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; 1.17 +SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; 1.18 +SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID 1.19 +KEYWDS LIPOPROTEIN, PROTEIN FOLDING, COILED COIL, HELIX CAPPING, 1.20 +KEYWDS 2 ALANINE-ZIPPER, MEMBRANE PROTEIN 1.21 +EXPDTA X-RAY DIFFRACTION 1.22 +AUTHOR J.LIU,W.CAO,M.LU 1.23 +REVDAT 2 24-FEB-09 1KFM 1 VERSN 1.24 +REVDAT 1 28-JUN-02 1KFM 0 1.25 +JRNL AUTH J.LIU,W.CAO,M.LU 1.26 +JRNL TITL CORE SIDE-CHAIN PACKING AND BACKBONE CONFORMATION 1.27 +JRNL TITL 2 IN LPP-56 COILED-COIL MUTANTS. 1.28 +JRNL REF J.MOL.BIOL. V. 318 877 2002 1.29 +JRNL REFN ISSN 0022-2836 1.30 +JRNL PMID 12054830 1.31 +JRNL DOI 10.1016/S0022-2836(02)00138-9 1.32 +REMARK 1 1.33 +REMARK 2 1.34 +REMARK 2 RESOLUTION. 2.00 ANGSTROMS. 1.35 +REMARK 3 1.36 +REMARK 3 REFINEMENT. 1.37 +REMARK 3 PROGRAM : CNS 1.0 1.38 +REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- 1.39 +REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, 1.40 +REMARK 3 : READ,RICE,SIMONSON,WARREN 1.41 +REMARK 3 1.42 +REMARK 3 REFINEMENT TARGET : ENGH & HUBER 1.43 +REMARK 3 1.44 +REMARK 3 DATA USED IN REFINEMENT. 1.45 +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 1.46 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 25.26 1.47 +REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 1.48 +REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL 1.49 +REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL 1.50 +REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 97.8 1.51 +REMARK 3 NUMBER OF REFLECTIONS : 2761 1.52 +REMARK 3 1.53 +REMARK 3 FIT TO DATA USED IN REFINEMENT. 1.54 +REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT 1.55 +REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM 1.56 +REMARK 3 R VALUE (WORKING SET) : 0.260 1.57 +REMARK 3 FREE R VALUE : 0.288 1.58 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.200 1.59 +REMARK 3 FREE R VALUE TEST SET COUNT : 254 1.60 +REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.018 1.61 +REMARK 3 1.62 +REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. 1.63 +REMARK 3 TOTAL NUMBER OF BINS USED : 10 1.64 +REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.00 1.65 +REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.07 1.66 +REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 97.00 1.67 +REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 267 1.68 +REMARK 3 BIN R VALUE (WORKING SET) : 0.3530 1.69 +REMARK 3 BIN FREE R VALUE : 0.3560 1.70 +REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.00 1.71 +REMARK 3 BIN FREE R VALUE TEST SET COUNT : 25 1.72 +REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.074 1.73 +REMARK 3 1.74 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. 1.75 +REMARK 3 PROTEIN ATOMS : 363 1.76 +REMARK 3 NUCLEIC ACID ATOMS : 0 1.77 +REMARK 3 HETEROGEN ATOMS : 0 1.78 +REMARK 3 SOLVENT ATOMS : 19 1.79 +REMARK 3 1.80 +REMARK 3 B VALUES. 1.81 +REMARK 3 FROM WILSON PLOT (A**2) : 39.00 1.82 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 43.60 1.83 +REMARK 3 OVERALL ANISOTROPIC B VALUE. 1.84 +REMARK 3 B11 (A**2) : 1.61000 1.85 +REMARK 3 B22 (A**2) : 1.61000 1.86 +REMARK 3 B33 (A**2) : -3.21000 1.87 +REMARK 3 B12 (A**2) : 4.24000 1.88 +REMARK 3 B13 (A**2) : 0.00000 1.89 +REMARK 3 B23 (A**2) : 0.00000 1.90 +REMARK 3 1.91 +REMARK 3 ESTIMATED COORDINATE ERROR. 1.92 +REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.29 1.93 +REMARK 3 ESD FROM SIGMAA (A) : 0.21 1.94 +REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 1.95 +REMARK 3 1.96 +REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. 1.97 +REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.31 1.98 +REMARK 3 ESD FROM C-V SIGMAA (A) : 0.24 1.99 +REMARK 3 1.100 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. 1.101 +REMARK 3 BOND LENGTHS (A) : 0.004 1.102 +REMARK 3 BOND ANGLES (DEGREES) : 0.90 1.103 +REMARK 3 DIHEDRAL ANGLES (DEGREES) : 16.10 1.104 +REMARK 3 IMPROPER ANGLES (DEGREES) : 0.63 1.105 +REMARK 3 1.106 +REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED 1.107 +REMARK 3 1.108 +REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA 1.109 +REMARK 3 MAIN-CHAIN BOND (A**2) : 1.510 ; 1.500 1.110 +REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.380 ; 2.000 1.111 +REMARK 3 SIDE-CHAIN BOND (A**2) : 2.660 ; 2.000 1.112 +REMARK 3 SIDE-CHAIN ANGLE (A**2) : 4.170 ; 2.500 1.113 +REMARK 3 1.114 +REMARK 3 BULK SOLVENT MODELING. 1.115 +REMARK 3 METHOD USED : FLAT MODEL 1.116 +REMARK 3 KSOL : 0.43 1.117 +REMARK 3 BSOL : 62.15 1.118 +REMARK 3 1.119 +REMARK 3 NCS MODEL : NULL 1.120 +REMARK 3 1.121 +REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT 1.122 +REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL 1.123 +REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL 1.124 +REMARK 3 1.125 +REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM 1.126 +REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM 1.127 +REMARK 3 PARAMETER FILE 3 : NULL 1.128 +REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP 1.129 +REMARK 3 TOPOLOGY FILE 2 : WATER.TOP 1.130 +REMARK 3 TOPOLOGY FILE 3 : NULL 1.131 +REMARK 3 1.132 +REMARK 3 OTHER REFINEMENT REMARKS: NULL 1.133 +REMARK 4 1.134 +REMARK 4 1KFM COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 1.135 +REMARK 100 1.136 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-DEC-01. 1.137 +REMARK 100 THE RCSB ID CODE IS RCSB014904. 1.138 +REMARK 200 1.139 +REMARK 200 EXPERIMENTAL DETAILS 1.140 +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION 1.141 +REMARK 200 DATE OF DATA COLLECTION : 12-OCT-01 1.142 +REMARK 200 TEMPERATURE (KELVIN) : 95 1.143 +REMARK 200 PH : 6.8 1.144 +REMARK 200 NUMBER OF CRYSTALS USED : 1 1.145 +REMARK 200 1.146 +REMARK 200 SYNCHROTRON (Y/N) : Y 1.147 +REMARK 200 RADIATION SOURCE : NSLS 1.148 +REMARK 200 BEAMLINE : X25 1.149 +REMARK 200 X-RAY GENERATOR MODEL : NULL 1.150 +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M 1.151 +REMARK 200 WAVELENGTH OR RANGE (A) : 1.1000 1.152 +REMARK 200 MONOCHROMATOR : GRAPHITE 1.153 +REMARK 200 OPTICS : NULL 1.154 +REMARK 200 1.155 +REMARK 200 DETECTOR TYPE : CCD 1.156 +REMARK 200 DETECTOR MANUFACTURER : BRANDEIS - B4 1.157 +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MADNES 1.158 +REMARK 200 DATA SCALING SOFTWARE : SCALEPACK 1.159 +REMARK 200 1.160 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 2761 1.161 +REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 1.162 +REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 1.163 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 1.164 +REMARK 200 1.165 +REMARK 200 OVERALL. 1.166 +REMARK 200 COMPLETENESS FOR RANGE (%) : 97.8 1.167 +REMARK 200 DATA REDUNDANCY : 3.800 1.168 +REMARK 200 R MERGE (I) : 0.04200 1.169 +REMARK 200 R SYM (I) : NULL 1.170 +REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 17.5000 1.171 +REMARK 200 1.172 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. 1.173 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 1.174 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.07 1.175 +REMARK 200 COMPLETENESS FOR SHELL (%) : 97.0 1.176 +REMARK 200 DATA REDUNDANCY IN SHELL : 3.90 1.177 +REMARK 200 R MERGE FOR SHELL (I) : 0.09700 1.178 +REMARK 200 R SYM FOR SHELL (I) : NULL 1.179 +REMARK 200 <I/SIGMA(I)> FOR SHELL : 12.300 1.180 +REMARK 200 1.181 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH 1.182 +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT 1.183 +REMARK 200 SOFTWARE USED: AMORE 1.184 +REMARK 200 STARTING MODEL: PDB ENTRY 1EQ7 1.185 +REMARK 200 1.186 +REMARK 200 REMARK: NULL 1.187 +REMARK 280 1.188 +REMARK 280 CRYSTAL 1.189 +REMARK 280 SOLVENT CONTENT, VS (%): NULL 1.190 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL 1.191 +REMARK 280 1.192 +REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 4000, SODIUM CACODYLATE, 1.193 +REMARK 280 AMMONIUM ACETATE, PH 6.8, VAPOR DIFFUSION, HANGING DROP AT 1.194 +REMARK 280 293K, VAPOR DIFFUSION, HANGING DROP 1.195 +REMARK 290 1.196 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY 1.197 +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3 1.198 +REMARK 290 1.199 +REMARK 290 SYMOP SYMMETRY 1.200 +REMARK 290 NNNMMM OPERATOR 1.201 +REMARK 290 1555 X,Y,Z 1.202 +REMARK 290 2555 -Y,X-Y,Z 1.203 +REMARK 290 3555 -X+Y,-X,Z 1.204 +REMARK 290 4555 X+2/3,Y+1/3,Z+1/3 1.205 +REMARK 290 5555 -Y+2/3,X-Y+1/3,Z+1/3 1.206 +REMARK 290 6555 -X+Y+2/3,-X+1/3,Z+1/3 1.207 +REMARK 290 7555 X+1/3,Y+2/3,Z+2/3 1.208 +REMARK 290 8555 -Y+1/3,X-Y+2/3,Z+2/3 1.209 +REMARK 290 9555 -X+Y+1/3,-X+2/3,Z+2/3 1.210 +REMARK 290 1.211 +REMARK 290 WHERE NNN -> OPERATOR NUMBER 1.212 +REMARK 290 MMM -> TRANSLATION VECTOR 1.213 +REMARK 290 1.214 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS 1.215 +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM 1.216 +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY 1.217 +REMARK 290 RELATED MOLECULES. 1.218 +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 1.219 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 1.220 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 1.221 +REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 1.222 +REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 1.223 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 1.224 +REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 1.225 +REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 1.226 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 1.227 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 18.52850 1.228 +REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 10.69743 1.229 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 27.30400 1.230 +REMARK 290 SMTRY1 5 -0.500000 -0.866025 0.000000 18.52850 1.231 +REMARK 290 SMTRY2 5 0.866025 -0.500000 0.000000 10.69743 1.232 +REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 27.30400 1.233 +REMARK 290 SMTRY1 6 -0.500000 0.866025 0.000000 18.52850 1.234 +REMARK 290 SMTRY2 6 -0.866025 -0.500000 0.000000 10.69743 1.235 +REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 27.30400 1.236 +REMARK 290 SMTRY1 7 1.000000 0.000000 0.000000 0.00000 1.237 +REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 21.39487 1.238 +REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 54.60800 1.239 +REMARK 290 SMTRY1 8 -0.500000 -0.866025 0.000000 0.00000 1.240 +REMARK 290 SMTRY2 8 0.866025 -0.500000 0.000000 21.39487 1.241 +REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 54.60800 1.242 +REMARK 290 SMTRY1 9 -0.500000 0.866025 0.000000 0.00000 1.243 +REMARK 290 SMTRY2 9 -0.866025 -0.500000 0.000000 21.39487 1.244 +REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 54.60800 1.245 +REMARK 290 1.246 +REMARK 290 REMARK: NULL 1.247 +REMARK 300 1.248 +REMARK 300 BIOMOLECULE: 1 1.249 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM 1.250 +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN 1.251 +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON 1.252 +REMARK 300 BURIED SURFACE AREA. 1.253 +REMARK 300 REMARK: THE BIOLOGICAL ASSEMBLY IS A TRIMER GENERATED FROM THE 1.254 +REMARK 300 MONOMER BY THE THREE FOLD AXIS. 1.255 +REMARK 350 1.256 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN 1.257 +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE 1.258 +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS 1.259 +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND 1.260 +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. 1.261 +REMARK 350 1.262 +REMARK 350 BIOMOLECULE: 1 1.263 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC 1.264 +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A 1.265 +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 1.266 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 1.267 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 1.268 +REMARK 350 BIOMT1 2 -0.500000 -0.866025 0.000000 55.58550 1.269 +REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 -32.09230 1.270 +REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 1.271 +REMARK 350 BIOMT1 3 -0.500000 0.866025 0.000000 55.58550 1.272 +REMARK 350 BIOMT2 3 -0.866025 -0.500000 0.000000 32.09230 1.273 +REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 1.274 +REMARK 465 1.275 +REMARK 465 MISSING RESIDUES 1.276 +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE 1.277 +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN 1.278 +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) 1.279 +REMARK 465 1.280 +REMARK 465 M RES C SSSEQI 1.281 +REMARK 465 SER A 1 1.282 +REMARK 465 ALA A 52 1.283 +REMARK 465 THR A 53 1.284 +REMARK 465 LYS A 54 1.285 +REMARK 465 TYR A 55 1.286 +REMARK 465 ARG A 56 1.287 +REMARK 470 1.288 +REMARK 470 MISSING ATOM 1.289 +REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; 1.290 +REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; 1.291 +REMARK 470 I=INSERTION CODE): 1.292 +REMARK 470 M RES CSSEQI ATOMS 1.293 +REMARK 470 ASN A 3 CG OD1 ND2 1.294 +REMARK 470 ASP A 12 CG OD1 OD2 1.295 +REMARK 470 GLN A 14 CG CD OE1 NE2 1.296 +REMARK 900 1.297 +REMARK 900 RELATED ENTRIES 1.298 +REMARK 900 RELATED ID: 1EQ7 RELATED DB: PDB 1.299 +REMARK 900 THE WILD TYPE PROTEIN STRUCTURE 1.300 +REMARK 900 RELATED ID: 1JCB RELATED DB: PDB 1.301 +REMARK 900 THE STRUCTURE OF THE SAME SEQUENCE REFINED AT A LOWER 1.302 +REMARK 900 SOLUTION 1.303 +REMARK 900 RELATED ID: 1KFN RELATED DB: PDB 1.304 +REMARK 900 MUTANT OF 1EQ7 1.305 +DBREF 1KFM A 1 56 UNP P69776 LPP_ECOLI 22 77 1.306 +SEQADV 1KFM ALA A 30 UNP P69776 MET 51 ENGINEERED 1.307 +SEQADV 1KFM ALA A 34 UNP P69776 VAL 55 ENGINEERED 1.308 +SEQRES 1 A 56 SER SER ASN ALA LYS ILE ASP GLN LEU SER SER ASP VAL 1.309 +SEQRES 2 A 56 GLN THR LEU ASN ALA LYS VAL ASP GLN LEU SER ASN ASP 1.310 +SEQRES 3 A 56 VAL ASN ALA ALA ARG SER ASP ALA GLN ALA ALA LYS ASP 1.311 +SEQRES 4 A 56 ASP ALA ALA ARG ALA ASN GLN ARG LEU ASP ASN MET ALA 1.312 +SEQRES 5 A 56 THR LYS TYR ARG 1.313 +FORMUL 2 HOH *19(H2 O) 1.314 +HELIX 1 1 SER A 2 ASN A 50 1 49 1.315 +CRYST1 37.057 37.057 81.912 90.00 90.00 120.00 H 3 9 1.316 +ORIGX1 1.000000 0.000000 0.000000 0.00000 1.317 +ORIGX2 0.000000 1.000000 0.000000 0.00000 1.318 +ORIGX3 0.000000 0.000000 1.000000 0.00000 1.319 +SCALE1 0.026985 0.015580 0.000000 0.00000 1.320 +SCALE2 0.000000 0.031160 0.000000 0.00000 1.321 +SCALE3 0.000000 0.000000 0.012208 0.00000 1.322 +ATOM 1 N SER A 2 42.312 3.607 38.680 1.00 60.07 N 1.323 +ATOM 2 CA SER A 2 41.475 2.912 37.661 1.00 59.34 C 1.324 +ATOM 3 C SER A 2 40.549 3.869 36.903 1.00 58.86 C 1.325 +ATOM 4 O SER A 2 40.011 3.520 35.855 1.00 58.04 O 1.326 +ATOM 5 CB SER A 2 40.648 1.807 38.332 1.00 60.00 C 1.327 +ATOM 6 OG SER A 2 40.103 2.244 39.570 1.00 60.97 O 1.328 +ATOM 7 N ASN A 3 40.372 5.078 37.425 1.00 58.19 N 1.329 +ATOM 8 CA ASN A 3 39.503 6.057 36.777 1.00 56.34 C 1.330 +ATOM 9 C ASN A 3 40.091 6.553 35.456 1.00 55.52 C 1.331 +ATOM 10 O ASN A 3 39.397 6.612 34.437 1.00 53.57 O 1.332 +ATOM 11 CB ASN A 3 39.260 7.246 37.711 1.00 57.41 C 1.333 +ATOM 12 N ALA A 4 41.372 6.909 35.481 1.00 54.17 N 1.334 +ATOM 13 CA ALA A 4 42.051 7.410 34.292 1.00 53.88 C 1.335 +ATOM 14 C ALA A 4 42.139 6.342 33.204 1.00 53.23 C 1.336 +ATOM 15 O ALA A 4 41.975 6.635 32.021 1.00 52.43 O 1.337 +ATOM 16 CB ALA A 4 43.438 7.900 34.660 1.00 53.56 C 1.338 +ATOM 17 N LYS A 5 42.394 5.103 33.616 1.00 53.13 N 1.339 +ATOM 18 CA LYS A 5 42.499 3.979 32.690 1.00 51.43 C 1.340 +ATOM 19 C LYS A 5 41.230 3.850 31.848 1.00 50.61 C 1.341 +ATOM 20 O LYS A 5 41.291 3.637 30.637 1.00 50.14 O 1.342 +ATOM 21 CB LYS A 5 42.716 2.683 33.473 1.00 54.37 C 1.343 +ATOM 22 CG LYS A 5 42.792 1.440 32.606 1.00 56.77 C 1.344 +ATOM 23 CD LYS A 5 44.144 1.311 31.921 1.00 58.93 C 1.345 +ATOM 24 CE LYS A 5 45.227 0.946 32.922 1.00 59.76 C 1.346 +ATOM 25 NZ LYS A 5 46.520 0.641 32.259 1.00 61.61 N 1.347 +ATOM 26 N ILE A 6 40.082 3.985 32.502 1.00 48.29 N 1.348 +ATOM 27 CA ILE A 6 38.789 3.871 31.841 1.00 46.88 C 1.349 +ATOM 28 C ILE A 6 38.462 5.063 30.940 1.00 46.99 C 1.350 +ATOM 29 O ILE A 6 37.828 4.913 29.892 1.00 44.24 O 1.351 +ATOM 30 CB ILE A 6 37.668 3.710 32.883 1.00 47.74 C 1.352 +ATOM 31 CG1 ILE A 6 37.943 2.468 33.735 1.00 49.74 C 1.353 +ATOM 32 CG2 ILE A 6 36.317 3.610 32.195 1.00 48.53 C 1.354 +ATOM 33 CD1 ILE A 6 36.891 2.194 34.792 1.00 51.05 C 1.355 +ATOM 34 N ASP A 7 38.881 6.255 31.339 1.00 47.06 N 1.356 +ATOM 35 CA ASP A 7 38.592 7.404 30.504 1.00 48.63 C 1.357 +ATOM 36 C ASP A 7 39.556 7.484 29.328 1.00 46.66 C 1.358 +ATOM 37 O ASP A 7 39.320 8.223 28.375 1.00 47.36 O 1.359 +ATOM 38 CB ASP A 7 38.589 8.681 31.338 1.00 51.70 C 1.360 +ATOM 39 CG ASP A 7 37.365 8.773 32.232 1.00 53.80 C 1.361 +ATOM 40 OD1 ASP A 7 36.232 8.751 31.700 1.00 55.73 O 1.362 +ATOM 41 OD2 ASP A 7 37.530 8.859 33.465 1.00 57.34 O 1.363 +ATOM 42 N GLN A 8 40.638 6.712 29.389 1.00 46.13 N 1.364 +ATOM 43 CA GLN A 8 41.586 6.672 28.280 1.00 45.21 C 1.365 +ATOM 44 C GLN A 8 40.928 5.727 27.273 1.00 43.76 C 1.366 +ATOM 45 O GLN A 8 41.036 5.894 26.056 1.00 40.68 O 1.367 +ATOM 46 CB GLN A 8 42.932 6.094 28.722 1.00 48.47 C 1.368 +ATOM 47 CG GLN A 8 43.947 5.965 27.594 1.00 51.00 C 1.369 +ATOM 48 CD GLN A 8 44.616 7.283 27.238 1.00 55.95 C 1.370 +ATOM 49 OE1 GLN A 8 43.949 8.283 26.962 1.00 58.34 O 1.371 +ATOM 50 NE2 GLN A 8 45.944 7.287 27.237 1.00 55.76 N 1.372 +ATOM 51 N LEU A 9 40.237 4.727 27.803 1.00 41.22 N 1.373 +ATOM 52 CA LEU A 9 39.536 3.763 26.967 1.00 42.16 C 1.374 +ATOM 53 C LEU A 9 38.336 4.440 26.320 1.00 40.27 C 1.375 +ATOM 54 O LEU A 9 38.118 4.297 25.124 1.00 37.87 O 1.376 +ATOM 55 CB LEU A 9 39.070 2.574 27.801 1.00 43.31 C 1.377 +ATOM 56 CG LEU A 9 40.186 1.733 28.418 1.00 46.66 C 1.378 +ATOM 57 CD1 LEU A 9 39.580 0.604 29.242 1.00 47.87 C 1.379 +ATOM 58 CD2 LEU A 9 41.073 1.184 27.313 1.00 48.08 C 1.380 +ATOM 59 N SER A 10 37.561 5.172 27.118 1.00 41.39 N 1.381 +ATOM 60 CA SER A 10 36.387 5.880 26.612 1.00 42.69 C 1.382 +ATOM 61 C SER A 10 36.785 6.718 25.406 1.00 42.80 C 1.383 +ATOM 62 O SER A 10 36.114 6.692 24.377 1.00 42.68 O 1.384 +ATOM 63 CB SER A 10 35.799 6.795 27.689 1.00 42.81 C 1.385 +ATOM 64 OG SER A 10 35.291 6.049 28.780 1.00 48.23 O 1.386 +ATOM 65 N SER A 11 37.886 7.454 25.548 1.00 43.67 N 1.387 +ATOM 66 CA SER A 11 38.411 8.301 24.485 1.00 44.33 C 1.388 +ATOM 67 C SER A 11 38.813 7.464 23.279 1.00 43.58 C 1.389 +ATOM 68 O SER A 11 38.421 7.767 22.158 1.00 44.57 O 1.390 +ATOM 69 CB SER A 11 39.635 9.084 24.978 1.00 46.35 C 1.391 +ATOM 70 OG SER A 11 39.308 9.956 26.047 1.00 50.42 O 1.392 +ATOM 71 N ASP A 12 39.602 6.417 23.514 1.00 40.75 N 1.393 +ATOM 72 CA ASP A 12 40.054 5.544 22.442 1.00 40.59 C 1.394 +ATOM 73 C ASP A 12 38.878 5.010 21.637 1.00 41.09 C 1.395 +ATOM 74 O ASP A 12 38.903 5.035 20.408 1.00 41.15 O 1.396 +ATOM 75 CB ASP A 12 40.857 4.369 23.007 1.00 42.94 C 1.397 +ATOM 76 N VAL A 13 37.854 4.528 22.335 1.00 39.47 N 1.398 +ATOM 77 CA VAL A 13 36.668 3.993 21.676 1.00 39.43 C 1.399 +ATOM 78 C VAL A 13 35.957 5.089 20.880 1.00 41.30 C 1.400 +ATOM 79 O VAL A 13 35.424 4.829 19.804 1.00 40.94 O 1.401 +ATOM 80 CB VAL A 13 35.674 3.396 22.702 1.00 39.55 C 1.402 +ATOM 81 CG1 VAL A 13 34.372 2.997 22.003 1.00 39.08 C 1.403 +ATOM 82 CG2 VAL A 13 36.296 2.189 23.389 1.00 36.36 C 1.404 +ATOM 83 N GLN A 14 35.944 6.309 21.416 1.00 41.58 N 1.405 +ATOM 84 CA GLN A 14 35.299 7.429 20.733 1.00 44.48 C 1.406 +ATOM 85 C GLN A 14 36.023 7.726 19.424 1.00 44.95 C 1.407 +ATOM 86 O GLN A 14 35.392 7.923 18.385 1.00 45.35 O 1.408 +ATOM 87 CB GLN A 14 35.317 8.679 21.616 1.00 45.35 C 1.409 +ATOM 88 N THR A 15 37.350 7.759 19.494 1.00 44.62 N 1.410 +ATOM 89 CA THR A 15 38.195 8.019 18.334 1.00 46.25 C 1.411 +ATOM 90 C THR A 15 38.013 6.932 17.284 1.00 45.71 C 1.412 +ATOM 91 O THR A 15 37.876 7.218 16.097 1.00 44.89 O 1.413 +ATOM 92 CB THR A 15 39.684 8.063 18.734 1.00 46.52 C 1.414 +ATOM 93 OG1 THR A 15 39.923 9.210 19.556 1.00 49.82 O 1.415 +ATOM 94 CG2 THR A 15 40.575 8.123 17.501 1.00 49.17 C 1.416 +ATOM 95 N LEU A 16 38.023 5.681 17.730 1.00 45.76 N 1.417 +ATOM 96 CA LEU A 16 37.851 4.553 16.829 1.00 45.55 C 1.418 +ATOM 97 C LEU A 16 36.506 4.642 16.117 1.00 44.75 C 1.419 +ATOM 98 O LEU A 16 36.411 4.381 14.918 1.00 44.17 O 1.420 +ATOM 99 CB LEU A 16 37.947 3.240 17.608 1.00 44.90 C 1.421 +ATOM 100 CG LEU A 16 39.320 2.982 18.232 1.00 46.75 C 1.422 +ATOM 101 CD1 LEU A 16 39.282 1.708 19.071 1.00 45.27 C 1.423 +ATOM 102 CD2 LEU A 16 40.364 2.875 17.128 1.00 47.83 C 1.424 +ATOM 103 N ASN A 17 35.472 5.017 16.861 1.00 44.17 N 1.425 +ATOM 104 CA ASN A 17 34.132 5.145 16.305 1.00 45.86 C 1.426 +ATOM 105 C ASN A 17 34.140 6.118 15.127 1.00 45.47 C 1.427 +ATOM 106 O ASN A 17 33.590 5.827 14.069 1.00 44.04 O 1.428 +ATOM 107 CB ASN A 17 33.163 5.620 17.391 1.00 47.57 C 1.429 +ATOM 108 CG ASN A 17 32.125 4.569 17.744 1.00 51.15 C 1.430 +ATOM 109 OD1 ASN A 17 31.226 4.278 16.955 1.00 52.49 O 1.431 +ATOM 110 ND2 ASN A 17 32.251 3.989 18.930 1.00 52.38 N 1.432 +ATOM 111 N ALA A 18 34.787 7.262 15.316 1.00 44.71 N 1.433 +ATOM 112 CA ALA A 18 34.886 8.276 14.277 1.00 45.40 C 1.434 +ATOM 113 C ALA A 18 35.663 7.738 13.079 1.00 45.45 C 1.435 +ATOM 114 O ALA A 18 35.343 8.046 11.931 1.00 44.74 O 1.436 +ATOM 115 CB ALA A 18 35.575 9.522 14.834 1.00 45.73 C 1.437 +ATOM 116 N LYS A 19 36.683 6.931 13.347 1.00 46.31 N 1.438 +ATOM 117 CA LYS A 19 37.493 6.361 12.279 1.00 47.51 C 1.439 +ATOM 118 C LYS A 19 36.738 5.310 11.484 1.00 47.31 C 1.440 +ATOM 119 O LYS A 19 36.917 5.191 10.274 1.00 46.23 O 1.441 +ATOM 120 CB LYS A 19 38.768 5.730 12.840 1.00 47.96 C 1.442 +ATOM 121 CG LYS A 19 39.934 6.693 12.979 1.00 50.40 C 1.443 +ATOM 122 CD LYS A 19 41.240 5.945 13.205 1.00 52.41 C 1.444 +ATOM 123 CE LYS A 19 41.520 4.961 12.077 1.00 54.42 C 1.445 +ATOM 124 NZ LYS A 19 41.508 5.614 10.736 1.00 56.90 N 1.446 +ATOM 125 N VAL A 20 35.904 4.537 12.169 1.00 47.77 N 1.447 +ATOM 126 CA VAL A 20 35.139 3.496 11.503 1.00 48.20 C 1.448 +ATOM 127 C VAL A 20 33.965 4.070 10.710 1.00 49.23 C 1.449 +ATOM 128 O VAL A 20 33.608 3.538 9.662 1.00 50.16 O 1.450 +ATOM 129 CB VAL A 20 34.624 2.453 12.515 1.00 48.43 C 1.451 +ATOM 130 CG1 VAL A 20 33.819 1.385 11.796 1.00 47.98 C 1.452 +ATOM 131 CG2 VAL A 20 35.803 1.807 13.235 1.00 47.79 C 1.453 +ATOM 132 N ASP A 21 33.365 5.149 11.202 1.00 49.97 N 1.454 +ATOM 133 CA ASP A 21 32.246 5.768 10.490 1.00 52.04 C 1.455 +ATOM 134 C ASP A 21 32.723 6.359 9.172 1.00 51.81 C 1.456 +ATOM 135 O ASP A 21 32.095 6.172 8.130 1.00 52.11 O 1.457 +ATOM 136 CB ASP A 21 31.603 6.887 11.314 1.00 53.33 C 1.458 +ATOM 137 CG ASP A 21 30.743 6.366 12.445 1.00 53.82 C 1.459 +ATOM 138 OD1 ASP A 21 30.223 5.234 12.328 1.00 56.51 O 1.460 +ATOM 139 OD2 ASP A 21 30.573 7.101 13.443 1.00 53.35 O 1.461 +ATOM 140 N GLN A 22 33.835 7.082 9.227 1.00 51.30 N 1.462 +ATOM 141 CA GLN A 22 34.384 7.702 8.033 1.00 50.82 C 1.463 +ATOM 142 C GLN A 22 34.934 6.675 7.049 1.00 48.21 C 1.464 +ATOM 143 O GLN A 22 34.896 6.891 5.835 1.00 47.01 O 1.465 +ATOM 144 CB GLN A 22 35.446 8.727 8.426 1.00 54.14 C 1.466 +ATOM 145 CG GLN A 22 34.921 10.167 8.457 1.00 57.62 C 1.467 +ATOM 146 CD GLN A 22 33.443 10.267 8.827 1.00 59.96 C 1.468 +ATOM 147 OE1 GLN A 22 33.014 9.777 9.872 1.00 63.15 O 1.469 +ATOM 148 NE2 GLN A 22 32.662 10.910 7.966 1.00 63.03 N 1.470 +ATOM 149 N LEU A 23 35.423 5.551 7.566 1.00 45.76 N 1.471 +ATOM 150 CA LEU A 23 35.926 4.501 6.696 1.00 45.96 C 1.472 +ATOM 151 C LEU A 23 34.750 3.838 5.988 1.00 43.79 C 1.473 +ATOM 152 O LEU A 23 34.894 3.321 4.884 1.00 43.43 O 1.474 +ATOM 153 CB LEU A 23 36.712 3.466 7.496 1.00 46.72 C 1.475 +ATOM 154 CG LEU A 23 38.094 3.950 7.942 1.00 48.26 C 1.476 +ATOM 155 CD1 LEU A 23 38.787 2.868 8.758 1.00 47.77 C 1.477 +ATOM 156 CD2 LEU A 23 38.920 4.318 6.714 1.00 46.82 C 1.478 +ATOM 157 N SER A 24 33.585 3.857 6.631 1.00 42.94 N 1.479 +ATOM 158 CA SER A 24 32.383 3.282 6.038 1.00 42.28 C 1.480 +ATOM 159 C SER A 24 31.976 4.141 4.843 1.00 40.69 C 1.481 +ATOM 160 O SER A 24 31.543 3.631 3.810 1.00 39.67 O 1.482 +ATOM 161 CB SER A 24 31.242 3.250 7.054 1.00 44.10 C 1.483 +ATOM 162 OG SER A 24 30.014 2.946 6.415 1.00 48.70 O 1.484 +ATOM 163 N ASN A 25 32.112 5.451 4.991 1.00 39.26 N 1.485 +ATOM 164 CA ASN A 25 31.778 6.353 3.904 1.00 40.49 C 1.486 +ATOM 165 C ASN A 25 32.795 6.149 2.782 1.00 39.83 C 1.487 +ATOM 166 O ASN A 25 32.444 6.172 1.610 1.00 37.83 O 1.488 +ATOM 167 CB ASN A 25 31.797 7.806 4.381 1.00 42.50 C 1.489 +ATOM 168 CG ASN A 25 30.641 8.128 5.302 1.00 45.67 C 1.490 +ATOM 169 OD1 ASN A 25 29.493 7.797 5.009 1.00 46.05 O 1.491 +ATOM 170 ND2 ASN A 25 30.935 8.785 6.418 1.00 47.21 N 1.492 +ATOM 171 N ASP A 26 34.054 5.939 3.145 1.00 39.55 N 1.493 +ATOM 172 CA ASP A 26 35.086 5.716 2.139 1.00 40.30 C 1.494 +ATOM 173 C ASP A 26 34.869 4.390 1.410 1.00 37.74 C 1.495 +ATOM 174 O ASP A 26 35.082 4.309 0.204 1.00 35.43 O 1.496 +ATOM 175 CB ASP A 26 36.478 5.727 2.775 1.00 44.72 C 1.497 +ATOM 176 CG ASP A 26 36.971 7.130 3.080 1.00 50.45 C 1.498 +ATOM 177 OD1 ASP A 26 36.960 7.975 2.159 1.00 53.88 O 1.499 +ATOM 178 OD2 ASP A 26 37.377 7.387 4.233 1.00 52.42 O 1.500 +ATOM 179 N VAL A 27 34.441 3.361 2.141 1.00 35.55 N 1.501 +ATOM 180 CA VAL A 27 34.202 2.045 1.544 1.00 36.56 C 1.502 +ATOM 181 C VAL A 27 33.005 2.091 0.593 1.00 35.90 C 1.503 +ATOM 182 O VAL A 27 33.039 1.514 -0.491 1.00 37.45 O 1.504 +ATOM 183 CB VAL A 27 33.909 0.970 2.610 1.00 36.68 C 1.505 +ATOM 184 CG1 VAL A 27 33.630 -0.358 1.927 1.00 41.01 C 1.506 +ATOM 185 CG2 VAL A 27 35.079 0.837 3.571 1.00 39.39 C 1.507 +ATOM 186 N ASN A 28 31.946 2.764 1.018 1.00 34.91 N 1.508 +ATOM 187 CA ASN A 28 30.748 2.893 0.205 1.00 35.95 C 1.509 +ATOM 188 C ASN A 28 31.104 3.580 -1.100 1.00 34.85 C 1.510 +ATOM 189 O ASN A 28 30.644 3.174 -2.173 1.00 36.34 O 1.511 +ATOM 190 CB ASN A 28 29.686 3.711 0.939 1.00 37.60 C 1.512 +ATOM 191 CG ASN A 28 28.419 3.858 0.132 1.00 39.88 C 1.513 +ATOM 192 OD1 ASN A 28 27.678 2.900 -0.041 1.00 43.47 O 1.514 +ATOM 193 ND2 ASN A 28 28.176 5.058 -0.384 1.00 39.87 N 1.515 +ATOM 194 N ALA A 29 31.930 4.617 -1.001 1.00 34.21 N 1.516 +ATOM 195 CA ALA A 29 32.384 5.385 -2.154 1.00 33.85 C 1.517 +ATOM 196 C ALA A 29 33.282 4.571 -3.088 1.00 34.90 C 1.518 +ATOM 197 O ALA A 29 33.186 4.688 -4.308 1.00 33.29 O 1.519 +ATOM 198 CB ALA A 29 33.123 6.634 -1.683 1.00 37.33 C 1.520 +ATOM 199 N ALA A 30 34.152 3.744 -2.516 1.00 33.35 N 1.521 +ATOM 200 CA ALA A 30 35.049 2.923 -3.313 1.00 33.37 C 1.522 +ATOM 201 C ALA A 30 34.256 1.822 -4.024 1.00 32.85 C 1.523 +ATOM 202 O ALA A 30 34.575 1.435 -5.142 1.00 32.73 O 1.524 +ATOM 203 CB ALA A 30 36.119 2.309 -2.417 1.00 34.29 C 1.525 +ATOM 204 N ARG A 31 33.225 1.326 -3.350 1.00 33.09 N 1.526 +ATOM 205 CA ARG A 31 32.352 0.279 -3.874 1.00 34.88 C 1.527 +ATOM 206 C ARG A 31 31.584 0.814 -5.077 1.00 34.81 C 1.528 +ATOM 207 O ARG A 31 31.509 0.165 -6.121 1.00 31.90 O 1.529 +ATOM 208 CB ARG A 31 31.377 -0.151 -2.776 1.00 38.41 C 1.530 +ATOM 209 CG ARG A 31 30.360 -1.220 -3.163 1.00 45.28 C 1.531 +ATOM 210 CD ARG A 31 31.023 -2.512 -3.618 1.00 49.37 C 1.532 +ATOM 211 NE ARG A 31 30.524 -3.675 -2.888 1.00 54.07 N 1.533 +ATOM 212 CZ ARG A 31 30.868 -3.976 -1.640 1.00 56.62 C 1.534 +ATOM 213 NH1 ARG A 31 31.719 -3.199 -0.981 1.00 57.34 N 1.535 +ATOM 214 NH2 ARG A 31 30.361 -5.052 -1.049 1.00 56.69 N 1.536 +ATOM 215 N SER A 32 31.013 2.002 -4.909 1.00 33.90 N 1.537 +ATOM 216 CA SER A 32 30.247 2.670 -5.955 1.00 35.56 C 1.538 +ATOM 217 C SER A 32 31.120 2.996 -7.157 1.00 34.71 C 1.539 +ATOM 218 O SER A 32 30.707 2.810 -8.301 1.00 35.10 O 1.540 +ATOM 219 CB SER A 32 29.635 3.964 -5.411 1.00 37.93 C 1.541 +ATOM 220 OG SER A 32 29.066 4.727 -6.464 1.00 44.88 O 1.542 +ATOM 221 N ASP A 33 32.321 3.498 -6.886 1.00 34.12 N 1.543 +ATOM 222 CA ASP A 33 33.277 3.851 -7.923 1.00 33.50 C 1.544 +ATOM 223 C ASP A 33 33.671 2.628 -8.739 1.00 30.86 C 1.545 +ATOM 224 O ASP A 33 33.718 2.685 -9.964 1.00 28.64 O 1.546 +ATOM 225 CB ASP A 33 34.544 4.451 -7.298 1.00 37.87 C 1.547 +ATOM 226 CG ASP A 33 34.457 5.955 -7.109 1.00 44.46 C 1.548 +ATOM 227 OD1 ASP A 33 35.173 6.479 -6.227 1.00 47.30 O 1.549 +ATOM 228 OD2 ASP A 33 33.690 6.612 -7.846 1.00 47.59 O 1.550 +ATOM 229 N ALA A 34 33.983 1.535 -8.041 1.00 29.75 N 1.551 +ATOM 230 CA ALA A 34 34.403 0.297 -8.689 1.00 28.95 C 1.552 +ATOM 231 C ALA A 34 33.304 -0.303 -9.540 1.00 29.61 C 1.553 +ATOM 232 O ALA A 34 33.571 -0.831 -10.609 1.00 28.52 O 1.554 +ATOM 233 CB ALA A 34 34.866 -0.722 -7.634 1.00 28.79 C 1.555 +ATOM 234 N GLN A 35 32.065 -0.234 -9.066 1.00 30.14 N 1.556 +ATOM 235 CA GLN A 35 30.945 -0.783 -9.818 1.00 31.01 C 1.557 +ATOM 236 C GLN A 35 30.721 0.025 -11.084 1.00 30.43 C 1.558 +ATOM 237 O GLN A 35 30.402 -0.523 -12.140 1.00 30.85 O 1.559 +ATOM 238 CB GLN A 35 29.671 -0.774 -8.957 1.00 34.91 C 1.560 +ATOM 239 CG GLN A 35 28.410 -1.149 -9.712 1.00 41.40 C 1.561 +ATOM 240 CD GLN A 35 28.482 -2.533 -10.322 1.00 44.71 C 1.562 +ATOM 241 OE1 GLN A 35 28.688 -3.524 -9.621 1.00 48.25 O 1.563 +ATOM 242 NE2 GLN A 35 28.311 -2.609 -11.638 1.00 48.49 N 1.564 +ATOM 243 N ALA A 36 30.887 1.336 -10.970 1.00 29.99 N 1.565 +ATOM 244 CA ALA A 36 30.714 2.240 -12.101 1.00 30.24 C 1.566 +ATOM 245 C ALA A 36 31.797 2.009 -13.165 1.00 30.30 C 1.567 +ATOM 246 O ALA A 36 31.531 2.117 -14.364 1.00 28.28 O 1.568 +ATOM 247 CB ALA A 36 30.756 3.686 -11.615 1.00 30.72 C 1.569 +ATOM 248 N ALA A 37 33.011 1.699 -12.713 1.00 29.05 N 1.570 +ATOM 249 CA ALA A 37 34.148 1.439 -13.604 1.00 28.75 C 1.571 +ATOM 250 C ALA A 37 33.922 0.106 -14.319 1.00 30.11 C 1.572 +ATOM 251 O ALA A 37 34.205 -0.048 -15.511 1.00 31.18 O 1.573 +ATOM 252 CB ALA A 37 35.425 1.368 -12.791 1.00 28.91 C 1.574 +ATOM 253 N LYS A 38 33.420 -0.859 -13.562 1.00 31.44 N 1.575 +ATOM 254 CA LYS A 38 33.118 -2.184 -14.093 1.00 33.07 C 1.576 +ATOM 255 C LYS A 38 32.077 -2.074 -15.201 1.00 33.89 C 1.577 +ATOM 256 O LYS A 38 32.221 -2.689 -16.251 1.00 31.59 O 1.578 +ATOM 257 CB LYS A 38 32.598 -3.089 -12.970 1.00 36.11 C 1.579 +ATOM 258 CG LYS A 38 32.088 -4.443 -13.441 1.00 39.89 C 1.580 +ATOM 259 CD LYS A 38 31.918 -5.410 -12.281 1.00 43.43 C 1.581 +ATOM 260 CE LYS A 38 33.261 -5.746 -11.649 1.00 46.83 C 1.582 +ATOM 261 NZ LYS A 38 34.175 -6.451 -12.600 1.00 51.45 N 1.583 +ATOM 262 N ASP A 39 31.026 -1.288 -14.969 1.00 34.16 N 1.584 +ATOM 263 CA ASP A 39 29.979 -1.120 -15.972 1.00 36.44 C 1.585 +ATOM 264 C ASP A 39 30.487 -0.361 -17.191 1.00 34.93 C 1.586 +ATOM 265 O ASP A 39 30.101 -0.656 -18.316 1.00 35.49 O 1.587 +ATOM 266 CB ASP A 39 28.771 -0.366 -15.402 1.00 40.22 C 1.588 +ATOM 267 CG ASP A 39 28.091 -1.113 -14.272 1.00 44.54 C 1.589 +ATOM 268 OD1 ASP A 39 28.036 -2.357 -14.332 1.00 45.42 O 1.590 +ATOM 269 OD2 ASP A 39 27.601 -0.448 -13.333 1.00 48.38 O 1.591 +ATOM 270 N ASP A 40 31.334 0.634 -16.978 1.00 32.52 N 1.592 +ATOM 271 CA ASP A 40 31.844 1.386 -18.118 1.00 33.96 C 1.593 +ATOM 272 C ASP A 40 32.784 0.514 -18.950 1.00 29.85 C 1.594 +ATOM 273 O ASP A 40 32.785 0.606 -20.175 1.00 30.45 O 1.595 +ATOM 274 CB ASP A 40 32.572 2.657 -17.670 1.00 33.83 C 1.596 +ATOM 275 CG ASP A 40 32.507 3.757 -18.714 1.00 38.98 C 1.597 +ATOM 276 OD1 ASP A 40 33.467 4.544 -18.820 1.00 39.61 O 1.598 +ATOM 277 OD2 ASP A 40 31.485 3.845 -19.430 1.00 39.46 O 1.599 +ATOM 278 N ALA A 41 33.577 -0.327 -18.289 1.00 28.33 N 1.600 +ATOM 279 CA ALA A 41 34.505 -1.220 -18.993 1.00 29.44 C 1.601 +ATOM 280 C ALA A 41 33.719 -2.287 -19.760 1.00 29.65 C 1.602 +ATOM 281 O ALA A 41 34.131 -2.723 -20.838 1.00 25.38 O 1.603 +ATOM 282 CB ALA A 41 35.487 -1.886 -17.998 1.00 28.58 C 1.604 +ATOM 283 N ALA A 42 32.577 -2.693 -19.210 1.00 29.79 N 1.605 +ATOM 284 CA ALA A 42 31.722 -3.679 -19.870 1.00 29.99 C 1.606 +ATOM 285 C ALA A 42 31.124 -3.032 -21.119 1.00 29.67 C 1.607 +ATOM 286 O ALA A 42 30.977 -3.680 -22.150 1.00 30.55 O 1.608 +ATOM 287 CB ALA A 42 30.589 -4.134 -18.922 1.00 31.05 C 1.609 +ATOM 288 N ARG A 43 30.766 -1.754 -21.016 1.00 29.90 N 1.610 +ATOM 289 CA ARG A 43 30.186 -1.039 -22.149 1.00 30.25 C 1.611 +ATOM 290 C ARG A 43 31.216 -0.941 -23.269 1.00 30.40 C 1.612 +ATOM 291 O ARG A 43 30.903 -1.215 -24.431 1.00 29.29 O 1.613 +ATOM 292 CB ARG A 43 29.734 0.362 -21.736 1.00 32.82 C 1.614 +ATOM 293 CG ARG A 43 29.095 1.171 -22.861 1.00 38.97 C 1.615 +ATOM 294 CD ARG A 43 28.414 2.435 -22.333 1.00 43.64 C 1.616 +ATOM 295 NE ARG A 43 29.366 3.463 -21.917 1.00 46.30 N 1.617 +ATOM 296 CZ ARG A 43 29.737 4.491 -22.674 1.00 47.66 C 1.618 +ATOM 297 NH1 ARG A 43 29.236 4.640 -23.891 1.00 49.20 N 1.619 +ATOM 298 NH2 ARG A 43 30.615 5.372 -22.216 1.00 49.54 N 1.620 +ATOM 299 N ALA A 44 32.437 -0.538 -22.916 1.00 27.85 N 1.621 +ATOM 300 CA ALA A 44 33.516 -0.424 -23.893 1.00 25.52 C 1.622 +ATOM 301 C ALA A 44 33.687 -1.749 -24.644 1.00 25.35 C 1.623 +ATOM 302 O ALA A 44 33.705 -1.772 -25.876 1.00 25.31 O 1.624 +ATOM 303 CB ALA A 44 34.810 -0.040 -23.187 1.00 27.00 C 1.625 +ATOM 304 N ASN A 45 33.802 -2.847 -23.900 1.00 25.21 N 1.626 +ATOM 305 CA ASN A 45 33.975 -4.174 -24.488 1.00 28.03 C 1.627 +ATOM 306 C ASN A 45 32.794 -4.676 -25.317 1.00 31.35 C 1.628 +ATOM 307 O ASN A 45 32.978 -5.496 -26.217 1.00 31.78 O 1.629 +ATOM 308 CB ASN A 45 34.335 -5.198 -23.401 1.00 28.51 C 1.630 +ATOM 309 CG ASN A 45 35.805 -5.154 -23.034 1.00 29.39 C 1.631 +ATOM 310 OD1 ASN A 45 36.666 -5.276 -23.905 1.00 27.21 O 1.632 +ATOM 311 ND2 ASN A 45 36.105 -4.979 -21.745 1.00 27.56 N 1.633 +ATOM 312 N GLN A 46 31.588 -4.198 -25.017 1.00 32.93 N 1.634 +ATOM 313 CA GLN A 46 30.413 -4.590 -25.787 1.00 34.22 C 1.635 +ATOM 314 C GLN A 46 30.409 -3.812 -27.092 1.00 34.72 C 1.636 +ATOM 315 O GLN A 46 30.024 -4.337 -28.141 1.00 33.44 O 1.637 +ATOM 316 CB GLN A 46 29.127 -4.298 -25.018 1.00 34.64 C 1.638 +ATOM 317 CG GLN A 46 28.912 -5.200 -23.834 1.00 35.58 C 1.639 +ATOM 318 CD GLN A 46 27.608 -4.911 -23.136 1.00 40.25 C 1.640 +ATOM 319 OE1 GLN A 46 26.839 -4.057 -23.572 1.00 42.15 O 1.641 +ATOM 320 NE2 GLN A 46 27.346 -5.623 -22.050 1.00 40.60 N 1.642 +ATOM 321 N ARG A 47 30.824 -2.550 -27.023 1.00 33.13 N 1.643 +ATOM 322 CA ARG A 47 30.892 -1.718 -28.216 1.00 33.01 C 1.644 +ATOM 323 C ARG A 47 31.976 -2.285 -29.126 1.00 32.83 C 1.645 +ATOM 324 O ARG A 47 31.872 -2.206 -30.350 1.00 36.05 O 1.646 +ATOM 325 CB ARG A 47 31.212 -0.272 -27.844 1.00 34.84 C 1.647 +ATOM 326 CG ARG A 47 30.115 0.414 -27.043 1.00 33.35 C 1.648 +ATOM 327 CD ARG A 47 30.581 1.771 -26.503 1.00 33.10 C 1.649 +ATOM 328 NE ARG A 47 30.690 2.802 -27.532 1.00 33.84 N 1.650 +ATOM 329 CZ ARG A 47 31.206 4.006 -27.316 1.00 35.12 C 1.651 +ATOM 330 NH1 ARG A 47 31.668 4.320 -26.110 1.00 33.52 N 1.652 +ATOM 331 NH2 ARG A 47 31.228 4.909 -28.289 1.00 35.65 N 1.653 +ATOM 332 N LEU A 48 33.016 -2.859 -28.528 1.00 31.40 N 1.654 +ATOM 333 CA LEU A 48 34.084 -3.467 -29.311 1.00 33.40 C 1.655 +ATOM 334 C LEU A 48 33.563 -4.745 -29.988 1.00 37.46 C 1.656 +ATOM 335 O LEU A 48 33.895 -5.014 -31.138 1.00 35.92 O 1.657 +ATOM 336 CB LEU A 48 35.303 -3.767 -28.424 1.00 30.58 C 1.658 +ATOM 337 CG LEU A 48 36.201 -2.540 -28.166 1.00 25.20 C 1.659 +ATOM 338 CD1 LEU A 48 37.058 -2.718 -26.928 1.00 24.86 C 1.660 +ATOM 339 CD2 LEU A 48 37.054 -2.301 -29.389 1.00 25.54 C 1.661 +ATOM 340 N ASP A 49 32.728 -5.515 -29.292 1.00 41.22 N 1.662 +ATOM 341 CA ASP A 49 32.180 -6.745 -29.877 1.00 45.82 C 1.663 +ATOM 342 C ASP A 49 31.339 -6.444 -31.122 1.00 48.43 C 1.664 +ATOM 343 O ASP A 49 31.357 -7.204 -32.083 1.00 50.16 O 1.665 +ATOM 344 CB ASP A 49 31.301 -7.511 -28.870 1.00 46.21 C 1.666 +ATOM 345 CG ASP A 49 32.038 -7.878 -27.588 1.00 45.77 C 1.667 +ATOM 346 OD1 ASP A 49 33.257 -8.140 -27.640 1.00 45.29 O 1.668 +ATOM 347 OD2 ASP A 49 31.381 -7.920 -26.525 1.00 48.05 O 1.669 +ATOM 348 N ASN A 50 30.600 -5.338 -31.099 1.00 51.36 N 1.670 +ATOM 349 CA ASN A 50 29.750 -4.958 -32.228 1.00 54.22 C 1.671 +ATOM 350 C ASN A 50 30.526 -4.365 -33.401 1.00 56.53 C 1.672 +ATOM 351 O ASN A 50 29.926 -3.888 -34.362 1.00 57.22 O 1.673 +ATOM 352 CB ASN A 50 28.688 -3.940 -31.793 1.00 53.30 C 1.674 +ATOM 353 CG ASN A 50 27.768 -4.470 -30.710 1.00 54.57 C 1.675 +ATOM 354 OD1 ASN A 50 27.692 -5.674 -30.477 1.00 52.96 O 1.676 +ATOM 355 ND2 ASN A 50 27.049 -3.565 -30.052 1.00 53.24 N 1.677 +ATOM 356 N MET A 51 31.852 -4.392 -33.317 1.00 59.27 N 1.678 +ATOM 357 CA MET A 51 32.710 -3.852 -34.367 1.00 61.71 C 1.679 +ATOM 358 C MET A 51 33.513 -4.949 -35.064 1.00 63.20 C 1.680 +ATOM 359 O MET A 51 33.678 -4.859 -36.304 1.00 63.80 O 1.681 +ATOM 360 CB MET A 51 33.669 -2.818 -33.775 1.00 62.63 C 1.682 +ATOM 361 CG MET A 51 33.003 -1.543 -33.289 1.00 62.77 C 1.683 +ATOM 362 SD MET A 51 34.125 -0.511 -32.325 1.00 64.74 S 1.684 +ATOM 363 CE MET A 51 34.951 0.417 -33.612 1.00 64.43 C 1.685 +TER 364 MET A 51 1.686 +HETATM 365 O HOH A 101 34.416 5.502 -16.830 1.00 29.24 O 1.687 +HETATM 366 O HOH A 102 30.472 7.513 0.591 1.00 49.24 O 1.688 +HETATM 367 O HOH A 103 27.525 3.114 -25.644 1.00 56.16 O 1.689 +HETATM 368 O HOH A 104 28.569 -2.607 -6.031 1.00 45.36 O 1.690 +HETATM 369 O HOH A 105 27.836 2.865 -9.227 1.00 45.75 O 1.691 +HETATM 370 O HOH A 106 33.267 8.867 2.127 1.00 50.17 O 1.692 +HETATM 371 O HOH A 107 33.675 11.473 11.688 1.00 73.66 O 1.693 +HETATM 372 O HOH A 108 30.240 7.202 -5.938 1.00 62.20 O 1.694 +HETATM 373 O HOH A 109 43.925 9.173 31.092 1.00 55.68 O 1.695 +HETATM 374 O HOH A 110 29.476 -1.870 -37.048 1.00 60.54 O 1.696 +HETATM 375 O HOH A 111 29.249 0.902 -34.659 1.00 75.07 O 1.697 +HETATM 376 O HOH A 112 29.495 -6.357 -38.035 1.00 57.74 O 1.698 +HETATM 377 O HOH A 113 29.195 -6.956 -10.085 1.00 67.78 O 1.699 +HETATM 378 O HOH A 114 34.238 8.752 -16.472 1.00 54.88 O 1.700 +HETATM 379 O HOH A 115 27.405 -2.086 -18.861 1.00 46.59 O 1.701 +HETATM 380 O HOH A 116 27.808 5.914 -26.134 1.00 64.75 O 1.702 +HETATM 381 O HOH A 117 42.868 10.845 27.475 1.00 65.08 O 1.703 +HETATM 382 O HOH A 118 33.398 6.030 24.246 1.00 62.29 O 1.704 +HETATM 383 O HOH A 119 33.766 10.898 24.101 1.00 63.79 O 1.705 +MASTER 273 0 0 1 0 0 0 6 382 1 0 5 1.706 +END