HEADER DNA BINDING REGULATORY PROTEIN 05-MAR-96 1TDX OBSLTE 14-OCT-98 1TDX 2TDX TITLE DIPHTHERIA TOX REPRESSOR (C102D MUTANT) COMPLEXED WITH TITLE 2 NICKEL COMPND MOL_ID: 1; COMPND 2 MOLECULE: DIPHTHERIA TOX REPRESSOR; COMPND 3 CHAIN: NULL; COMPND 4 SYNONYM: DTXR; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES; COMPND 7 OTHER_DETAILS: COMPLEXED WITH NICKEL (NI) SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; SOURCE 3 EXPRESSION_SYSTEM: T7 POLYMERASE; SOURCE 4 EXPRESSION_SYSTEM_PLASMID: PET11C; SOURCE 5 EXPRESSION_SYSTEM_GENE: DTXR KEYWDS DIPHTHERIA TOX REPRESSOR, TRANSCRIPTION REGULATION, DNA- KEYWDS 2 BINDING REGULATORY PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR X.DING,H.ZHENG,N.SCHIERING,D.RINGE,J.R.MURPHY REVDAT 1 17-AUG-96 1TDX 0 JRNL AUTH X.DING,H.ZHENG,N.SCHIERING,D.RINGE,J.R.MURPHY JRNL TITL IDENTIFICATION OF THE PRIMARY AND ANCILLARY METAL JRNL TITL 2 ION-ACTIVATION SITES OF THE DIPHTHERIA TOX JRNL TITL 3 REPRESSOR BY HIGH RESOLUTION X-RAY CRYSTALLOGRAPHY JRNL TITL 4 AND SITE-DIRECTED MUTATIONAL ANALYSIS JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH X.QIU,C.L.VERLINDE,S.ZHANG,M.P.SCHMITT,R.K.HOLMES, REMARK 1 AUTH 2 W.G.HOL REMARK 1 TITL THREE-DIMENSIONAL STRUCTURE OF THE DIPHTHERIA REMARK 1 TITL 2 TOXIN REPRESSOR IN COMPLEX WITH DIVALENT CATION REMARK 1 TITL 3 CO-REPRESSORS REMARK 1 REF STRUCTURE (LONDON) V. 3 87 1995 REMARK 1 REFN ASTM STRUE6 UK ISSN 0969-2126 REMARK 1 REFERENCE 2 REMARK 1 AUTH N.SCHIERING,X.TAO,H.ZENG,J.R.MURPHY,G.A.PETSKO, REMARK 1 AUTH 2 D.RINGE REMARK 1 TITL STRUCTURES OF THE APO-AND THE METAL ION-ACTIVATED REMARK 1 TITL 2 FORMS OF THE DIPHTHERIA TOX REPRESSOR FROM REMARK 1 TITL 3 CORYNEBACTERIUM DIPHTHERIAE REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 92 9843 1995 REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 REMARK 2 REMARK 2 RESOLUTION. 2.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 82.0 REMARK 3 NUMBER OF REFLECTIONS : 8425 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.280 REMARK 3 FREE R VALUE : 0.380 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : 0.00 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1085 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 2 REMARK 3 SOLVENT ATOMS : 185 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 35.00 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 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.010 REMARK 3 BOND ANGLES (DEGREES) : 3.00 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 22.00 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.00 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NI.PAR REMARK 3 PARAMETER FILE 2 : NULL REMARK 3 TOPOLOGY FILE 1 : NI.TOP REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1TDX COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-JUN-1995 REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.54 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : ROTATING ANODE REMARK 200 DETECTOR MANUFACTURER : RIGAKU REMARK 200 INTENSITY-INTEGRATION SOFTWARE : RAXIS REMARK 200 DATA SCALING SOFTWARE : RAXIS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9464 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.320 REMARK 200 RESOLUTION RANGE LOW (A) : 55.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 80.6 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : 0.04100 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: DIFFERENCE FOURIER REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: APO-DTXR+NI REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 50.85 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.50 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,1/3+Z REMARK 290 3555 -X+Y,-X,2/3+Z REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,2/3-Z REMARK 290 6555 -X,-X+Y,1/3-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 35.23333 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 70.46667 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 70.46667 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 35.23333 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT REMARK 300 WHICH CONSISTS OF 1 CHAIN(S). SEE REMARK 350 FOR REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET 1 REMARK 465 LYS 2 REMARK 465 LEU 3 REMARK 465 GLU 137 REMARK 465 LEU 138 REMARK 465 GLY 139 REMARK 465 VAL 140 REMARK 465 GLY 141 REMARK 465 ASN 142 REMARK 465 SER 143 REMARK 465 ASP 144 REMARK 465 ALA 145 REMARK 465 ALA 146 REMARK 465 ALA 147 REMARK 465 PRO 148 REMARK 465 GLY 149 REMARK 465 THR 150 REMARK 465 ARG 151 REMARK 465 VAL 152 REMARK 465 ILE 153 REMARK 465 ASP 154 REMARK 465 ALA 155 REMARK 465 ALA 156 REMARK 465 THR 157 REMARK 465 SER 158 REMARK 465 MET 159 REMARK 465 PRO 160 REMARK 465 ARG 161 REMARK 465 LYS 162 REMARK 465 VAL 163 REMARK 465 ARG 164 REMARK 465 ILE 165 REMARK 465 VAL 166 REMARK 465 GLN 167 REMARK 465 ILE 168 REMARK 465 ASN 169 REMARK 465 GLU 170 REMARK 465 ILE 171 REMARK 465 PHE 172 REMARK 465 GLN 173 REMARK 465 VAL 174 REMARK 465 GLU 175 REMARK 465 THR 176 REMARK 465 ASP 177 REMARK 465 GLN 178 REMARK 465 PHE 179 REMARK 465 THR 180 REMARK 465 GLN 181 REMARK 465 LEU 182 REMARK 465 LEU 183 REMARK 465 ASP 184 REMARK 465 ALA 185 REMARK 465 ASP 186 REMARK 465 ILE 187 REMARK 465 ARG 188 REMARK 465 VAL 189 REMARK 465 GLY 190 REMARK 465 SER 191 REMARK 465 GLU 192 REMARK 465 VAL 193 REMARK 465 GLU 194 REMARK 465 ILE 195 REMARK 465 VAL 196 REMARK 465 ASP 197 REMARK 465 ARG 198 REMARK 465 ASP 199 REMARK 465 GLY 200 REMARK 465 HIS 201 REMARK 465 ILE 202 REMARK 465 THR 203 REMARK 465 LEU 204 REMARK 465 SER 205 REMARK 465 HIS 206 REMARK 465 ASN 207 REMARK 465 GLY 208 REMARK 465 LYS 209 REMARK 465 ASP 210 REMARK 465 VAL 211 REMARK 465 GLU 212 REMARK 465 LEU 213 REMARK 465 LEU 214 REMARK 465 ASP 215 REMARK 465 ASP 216 REMARK 465 LEU 217 REMARK 465 ALA 218 REMARK 465 HIS 219 REMARK 465 THR 220 REMARK 465 ILE 221 REMARK 465 ARG 222 REMARK 465 ILE 223 REMARK 465 GLU 224 REMARK 465 GLU 225 REMARK 465 LEU 226 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 ILE 94 N ILE 94 CA 0.242 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 GLU 35 C - N - CA ANGL. DEV. = 24.1 DEGREES REMARK 500 ILE 94 N - CA - CB ANGL. DEV. = 19.9 DEGREES REMARK 500 ILE 94 C - N - CA ANGL. DEV. =-17.5 DEGREES 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 M RES CSSEQI PSI PHI REMARK 500 ALA 57 123.34 32.39 REMARK 500 ILE 90 -58.56 72.03 REMARK 500 ILE 94 132.91 96.89 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 SER 126 PRO 127 -147.15 REMARK 525 REMARK 525 SOLVENT REMARK 525 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED REMARK 525 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE REMARK 525 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE (M=MODEL REMARK 525 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH 274 DISTANCE = 5.08 ANGSTROMS REMARK 525 HOH 281 DISTANCE = 6.01 ANGSTROMS REMARK 525 HOH 288 DISTANCE = 7.84 ANGSTROMS REMARK 525 HOH 289 DISTANCE = 5.04 ANGSTROMS REMARK 525 HOH 303 DISTANCE = 5.27 ANGSTROMS REMARK 525 HOH 315 DISTANCE = 6.89 ANGSTROMS REMARK 525 HOH 318 DISTANCE = 7.46 ANGSTROMS REMARK 525 HOH 321 DISTANCE = 5.09 ANGSTROMS REMARK 525 HOH 322 DISTANCE = 9.75 ANGSTROMS REMARK 525 HOH 334 DISTANCE = 6.69 ANGSTROMS REMARK 525 HOH 338 DISTANCE = 7.05 ANGSTROMS REMARK 525 HOH 344 DISTANCE = 8.28 ANGSTROMS REMARK 525 HOH 349 DISTANCE = 5.02 ANGSTROMS REMARK 525 HOH 350 DISTANCE = 5.53 ANGSTROMS REMARK 525 HOH 351 DISTANCE = 5.09 ANGSTROMS REMARK 525 HOH 353 DISTANCE = 8.24 ANGSTROMS REMARK 525 HOH 354 DISTANCE = 6.83 ANGSTROMS REMARK 525 HOH 358 DISTANCE = 6.79 ANGSTROMS REMARK 525 HOH 359 DISTANCE = 8.06 ANGSTROMS REMARK 525 HOH 360 DISTANCE = 9.25 ANGSTROMS REMARK 525 HOH 362 DISTANCE = 7.99 ANGSTROMS REMARK 525 HOH 363 DISTANCE = 5.20 ANGSTROMS REMARK 525 HOH 368 DISTANCE = 5.71 ANGSTROMS REMARK 525 HOH 369 DISTANCE = 8.94 ANGSTROMS REMARK 525 HOH 371 DISTANCE = 11.78 ANGSTROMS REMARK 525 HOH 372 DISTANCE = 7.51 ANGSTROMS REMARK 525 HOH 375 DISTANCE = 7.48 ANGSTROMS REMARK 525 HOH 377 DISTANCE = 8.49 ANGSTROMS REMARK 525 HOH 381 DISTANCE = 9.78 ANGSTROMS REMARK 525 HOH 382 DISTANCE = 6.28 ANGSTROMS REMARK 525 HOH 385 DISTANCE = 6.17 ANGSTROMS REMARK 525 HOH 389 DISTANCE = 7.88 ANGSTROMS REMARK 525 HOH 390 DISTANCE = 10.98 ANGSTROMS REMARK 525 HOH 391 DISTANCE = 10.83 ANGSTROMS REMARK 525 HOH 396 DISTANCE = 9.35 ANGSTROMS REMARK 525 HOH 401 DISTANCE = 12.55 ANGSTROMS REMARK 525 HOH 403 DISTANCE = 7.52 ANGSTROMS REMARK 525 HOH 413 DISTANCE = 10.15 ANGSTROMS REMARK 525 HOH 418 DISTANCE = 15.38 ANGSTROMS REMARK 525 HOH 420 DISTANCE = 6.42 ANGSTROMS REMARK 525 HOH 426 DISTANCE = 12.90 ANGSTROMS REMARK 525 HOH 427 DISTANCE = 15.20 ANGSTROMS REMARK 525 HOH 428 DISTANCE = 6.81 ANGSTROMS REMARK 525 HOH 434 DISTANCE = 15.25 ANGSTROMS REMARK 525 HOH 435 DISTANCE = 11.70 ANGSTROMS REMARK 525 HOH 437 DISTANCE = 8.75 ANGSTROMS REMARK 525 HOH 442 DISTANCE = 9.55 ANGSTROMS REMARK 525 HOH 445 DISTANCE = 16.05 ANGSTROMS REMARK 525 HOH 448 DISTANCE = 13.06 ANGSTROMS REMARK 525 HOH 453 DISTANCE = 10.93 ANGSTROMS REMARK 525 HOH 460 DISTANCE = 6.08 ANGSTROMS REMARK 525 HOH 461 DISTANCE = 5.20 ANGSTROMS REMARK 525 HOH 469 DISTANCE = 12.07 ANGSTROMS REMARK 525 HOH 475 DISTANCE = 8.80 ANGSTROMS REMARK 525 HOH 478 DISTANCE = 14.24 ANGSTROMS REMARK 525 HOH 479 DISTANCE = 15.09 ANGSTROMS REMARK 525 HOH 480 DISTANCE = 6.41 ANGSTROMS REMARK 525 HOH 490 DISTANCE = 6.17 ANGSTROMS REMARK 525 HOH 493 DISTANCE = 7.29 ANGSTROMS REMARK 525 HOH 498 DISTANCE = 7.16 ANGSTROMS REMARK 525 HOH 499 DISTANCE = 6.99 ANGSTROMS REMARK 525 HOH 500 DISTANCE = 16.41 ANGSTROMS REMARK 525 HOH 511 DISTANCE = 6.64 ANGSTROMS REMARK 999 REMARK 999 SEQUENCE REMARK 999 1TDX SWS P33120 1 - 3 NOT IN ATOMS LIST REMARK 999 1TDX SWS P33120 137 - 226 NOT IN ATOMS LIST DBREF 1TDX 4 136 UNP P33120 DTXR_CORDI 4 136 SEQADV 1TDX ASP 102 UNP P33120 CYS 102 ENGINEERED SEQRES 1 226 MET LYS LEU LEU VAL ASP THR THR GLU MET TYR LEU ARG SEQRES 2 226 THR ILE TYR GLU LEU GLU GLU GLU GLY VAL THR PRO LEU SEQRES 3 226 ARG ALA ARG ILE ALA GLU ARG LEU GLU GLN SER GLY PRO SEQRES 4 226 THR VAL SER GLN THR VAL ALA ARG MET GLU ARG ASP GLY SEQRES 5 226 LEU VAL VAL VAL ALA SER ASP ARG SER LEU GLN MET THR SEQRES 6 226 PRO THR GLY ARG THR LEU ALA THR ALA VAL MET ARG LYS SEQRES 7 226 HIS ARG LEU ALA GLU ARG LEU LEU THR ASP ILE ILE GLY SEQRES 8 226 LEU ASP ILE ASN LYS VAL HIS ASP GLU ALA ASP ARG TRP SEQRES 9 226 GLU HIS VAL MET SER ASP GLU VAL GLU ARG ARG LEU VAL SEQRES 10 226 LYS VAL LEU LYS ASP VAL SER ARG SER PRO PHE GLY ASN SEQRES 11 226 PRO ILE PRO GLY LEU ASP GLU LEU GLY VAL GLY ASN SER SEQRES 12 226 ASP ALA ALA ALA PRO GLY THR ARG VAL ILE ASP ALA ALA SEQRES 13 226 THR SER MET PRO ARG LYS VAL ARG ILE VAL GLN ILE ASN SEQRES 14 226 GLU ILE PHE GLN VAL GLU THR ASP GLN PHE THR GLN LEU SEQRES 15 226 LEU ASP ALA ASP ILE ARG VAL GLY SER GLU VAL GLU ILE SEQRES 16 226 VAL ASP ARG ASP GLY HIS ILE THR LEU SER HIS ASN GLY SEQRES 17 226 LYS ASP VAL GLU LEU LEU ASP ASP LEU ALA HIS THR ILE SEQRES 18 226 ARG ILE GLU GLU LEU HET NI 550 1 HET NI 551 1 HETNAM NI NICKEL (II) ION FORMUL 2 NI 2(NI 2+) FORMUL 4 HOH *161(H2 O1) HELIX 1 1 THR 8 GLU 21 1 14 HELIX 2 2 ARG 27 ILE 30 1 4 HELIX 3 3 GLY 38 ARG 50 1 13 HELIX 4 4 PRO 66 ASP 88 1 23 HELIX 5 5 ASP 99 HIS 106 1 8 HELIX 6 6 ASP 110 VAL 119 1 10 SHEET 1 1 1 VAL 54 VAL 55 0 SHEET 2 2 1 GLN 63 MET 64 0 LINK NI NI 550 O ASP 102 CRYST1 64.500 64.500 105.700 90.00 90.00 120.00 P 31 2 1 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.015504 0.008951 0.000000 0.00000 SCALE2 0.000000 0.017902 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009461 0.00000 ATOM 1 N LEU 4 25.098 37.230 49.349 1.00 50.38 N ATOM 2 CA LEU 4 25.858 37.493 48.139 1.00 50.38 C ATOM 3 C LEU 4 25.917 36.257 47.235 1.00 50.68 C ATOM 4 O LEU 4 26.334 36.332 46.080 1.00 51.36 O ATOM 5 CB LEU 4 27.283 37.949 48.505 1.00 48.76 C ATOM 6 CG LEU 4 28.316 37.135 49.301 1.00 44.34 C ATOM 7 CD1 LEU 4 29.656 37.843 49.169 1.00 40.76 C ATOM 8 CD2 LEU 4 27.963 37.035 50.779 1.00 41.59 C ATOM 9 N VAL 5 25.484 35.096 47.751 1.00 48.57 N ATOM 10 CA VAL 5 25.448 33.851 46.990 1.00 44.82 C ATOM 11 C VAL 5 23.988 33.571 46.641 1.00 39.97 C ATOM 12 O VAL 5 23.613 33.467 45.473 1.00 36.46 O ATOM 13 CB VAL 5 26.035 32.694 47.844 1.00 46.89 C ATOM 14 CG1 VAL 5 26.083 31.414 47.025 1.00 47.68 C ATOM 15 CG2 VAL 5 27.443 33.032 48.303 1.00 48.09 C ATOM 16 N ASP 6 23.130 33.518 47.672 1.00 38.03 N ATOM 17 CA ASP 6 21.698 33.254 47.528 1.00 37.67 C ATOM 18 C ASP 6 20.926 34.272 46.670 1.00 35.83 C ATOM 19 O ASP 6 19.749 34.047 46.373 1.00 34.79 O ATOM 20 CB ASP 6 21.049 33.177 48.933 1.00 42.33 C ATOM 21 CG ASP 6 21.563 32.101 49.909 1.00 43.20 C ATOM 22 OD1 ASP 6 21.571 30.911 49.590 1.00 42.07 O ATOM 23 OD2 ASP 6 21.937 32.453 51.026 1.00 34.70 O ATOM 24 N THR 7 21.539 35.397 46.260 1.00 31.73 N ATOM 25 CA THR 7 20.906 36.384 45.388 1.00 26.44 C ATOM 26 C THR 7 21.413 36.265 43.949 1.00 26.89 C ATOM 27 O THR 7 20.654 36.512 43.011 1.00 25.85 O ATOM 28 CB THR 7 21.164 37.827 45.925 1.00 24.31 C ATOM 29 OG1 THR 7 20.188 38.627 45.278 1.00 19.09 O ATOM 30 CG2 THR 7 22.542 38.415 45.627 1.00 20.84 C ATOM 31 N THR 8 22.680 35.883 43.728 1.00 25.15 N ATOM 32 CA THR 8 23.217 35.730 42.380 1.00 23.05 C ATOM 33 C THR 8 22.624 34.492 41.725 1.00 18.28 C ATOM 34 O THR 8 22.401 34.459 40.514 1.00 13.93 O ATOM 35 CB THR 8 24.760 35.651 42.454 1.00 27.13 C ATOM 36 OG1 THR 8 25.127 34.573 43.306 1.00 33.60 O ATOM 37 CG2 THR 8 25.344 36.962 42.961 1.00 26.44 C ATOM 38 N GLU 9 22.302 33.495 42.558 1.00 18.26 N ATOM 39 CA GLU 9 21.621 32.283 42.127 1.00 18.17 C ATOM 40 C GLU 9 20.235 32.547 41.552 1.00 17.76 C ATOM 41 O GLU 9 19.681 31.704 40.845 1.00 20.18 O ATOM 42 CB GLU 9 21.489 31.321 43.295 1.00 11.47 C ATOM 43 CG GLU 9 22.823 30.751 43.772 1.00 16.48 C ATOM 44 CD GLU 9 22.760 29.686 44.870 1.00 18.99 C ATOM 45 OE1 GLU 9 21.705 29.427 45.453 1.00 16.49 O ATOM 46 OE2 GLU 9 23.797 29.087 45.140 1.00 23.62 O ATOM 47 N MET 10 19.655 33.717 41.856 1.00 20.75 N ATOM 48 CA MET 10 18.377 34.123 41.292 1.00 22.01 C ATOM 49 C MET 10 18.538 34.588 39.855 1.00 21.91 C ATOM 50 O MET 10 17.791 34.147 38.986 1.00 20.92 O ATOM 51 CB MET 10 17.764 35.259 42.096 1.00 19.03 C ATOM 52 CG MET 10 17.157 34.789 43.403 1.00 21.88 C ATOM 53 SD MET 10 15.827 33.591 43.127 1.00 23.01 S ATOM 54 CE MET 10 14.477 34.719 42.926 1.00 24.98 C ATOM 55 N TYR 11 19.537 35.444 39.599 1.00 22.66 N ATOM 56 CA TYR 11 19.836 35.965 38.268 1.00 22.02 C ATOM 57 C TYR 11 20.200 34.864 37.288 1.00 22.15 C ATOM 58 O TYR 11 19.794 34.911 36.131 1.00 21.73 O ATOM 59 CB TYR 11 21.004 36.945 38.308 1.00 23.15 C ATOM 60 CG TYR 11 20.699 38.342 38.829 1.00 24.34 C ATOM 61 CD1 TYR 11 20.206 38.531 40.120 1.00 25.58 C ATOM 62 CD2 TYR 11 20.926 39.437 37.995 1.00 24.72 C ATOM 63 CE1 TYR 11 19.946 39.821 40.586 1.00 26.70 C ATOM 64 CE2 TYR 11 20.668 40.727 38.456 1.00 25.66 C ATOM 65 CZ TYR 11 20.171 40.913 39.746 1.00 28.40 C ATOM 66 OH TYR 11 19.922 42.196 40.204 1.00 32.65 O ATOM 67 N LEU 12 20.971 33.870 37.748 1.00 23.45 N ATOM 68 CA LEU 12 21.367 32.727 36.933 1.00 21.90 C ATOM 69 C LEU 12 20.178 31.853 36.560 1.00 19.35 C ATOM 70 O LEU 12 20.119 31.313 35.456 1.00 16.27 O ATOM 71 CB LEU 12 22.396 31.901 37.693 1.00 21.69 C ATOM 72 CG LEU 12 23.888 32.212 37.549 1.00 18.07 C ATOM 73 CD1 LEU 12 24.197 33.670 37.855 1.00 16.38 C ATOM 74 CD2 LEU 12 24.646 31.319 38.513 1.00 16.25 C ATOM 75 N ARG 13 19.212 31.725 37.477 1.00 18.93 N ATOM 76 CA ARG 13 17.996 30.977 37.211 1.00 20.67 C ATOM 77 C ARG 13 17.067 31.794 36.319 1.00 20.92 C ATOM 78 O ARG 13 16.288 31.224 35.556 1.00 20.53 O ATOM 79 CB ARG 13 17.300 30.643 38.524 1.00 20.05 C ATOM 80 CG ARG 13 16.116 29.730 38.280 1.00 21.25 C ATOM 81 CD ARG 13 15.391 29.381 39.549 1.00 19.54 C ATOM 82 NE ARG 13 14.043 28.984 39.198 1.00 21.32 N ATOM 83 CZ ARG 13 12.995 29.751 39.498 1.00 23.93 C ATOM 84 NH1 ARG 13 13.114 30.854 40.242 1.00 18.05 N ATOM 85 NH2 ARG 13 11.789 29.370 39.089 1.00 29.06 N ATOM 86 N THR 14 17.148 33.128 36.387 1.00 21.93 N ATOM 87 CA THR 14 16.369 34.005 35.526 1.00 22.13 C ATOM 88 C THR 14 16.892 33.814 34.107 1.00 21.57 C ATOM 89 O THR 14 16.102 33.603 33.185 1.00 23.80 O ATOM 90 CB THR 14 16.535 35.474 35.962 1.00 21.86 C ATOM 91 OG1 THR 14 16.147 35.533 37.326 1.00 19.12 O ATOM 92 CG2 THR 14 15.683 36.442 35.153 1.00 22.71 C ATOM 93 N ILE 15 18.225 33.807 33.941 1.00 19.76 N ATOM 94 CA ILE 15 18.877 33.616 32.648 1.00 19.12 C ATOM 95 C ILE 15 18.555 32.229 32.097 1.00 19.49 C ATOM 96 O ILE 15 18.368 32.071 30.889 1.00 22.10 O ATOM 97 CB ILE 15 20.411 33.837 32.843 1.00 15.46 C ATOM 98 CG1 ILE 15 20.642 35.323 33.104 1.00 13.61 C ATOM 99 CG2 ILE 15 21.212 33.406 31.617 1.00 19.49 C ATOM 100 CD1 ILE 15 22.081 35.743 33.471 1.00 6.89 C ATOM 101 N TYR 16 18.441 31.232 32.982 1.00 19.47 N ATOM 102 CA TYR 16 18.079 29.880 32.594 1.00 21.08 C ATOM 103 C TYR 16 16.607 29.799 32.200 1.00 23.41 C ATOM 104 O TYR 16 16.265 29.030 31.301 1.00 25.96 O ATOM 105 CB TYR 16 18.348 28.920 33.750 1.00 16.08 C ATOM 106 CG TYR 16 18.518 27.470 33.321 1.00 16.61 C ATOM 107 CD1 TYR 16 17.416 26.620 33.212 1.00 15.74 C ATOM 108 CD2 TYR 16 19.802 26.990 33.051 1.00 17.91 C ATOM 109 CE1 TYR 16 17.594 25.290 32.831 1.00 20.66 C ATOM 110 CE2 TYR 16 19.991 25.663 32.671 1.00 20.82 C ATOM 111 CZ TYR 16 18.884 24.820 32.565 1.00 24.83 C ATOM 112 OH TYR 16 19.074 23.502 32.199 1.00 34.01 O ATOM 113 N GLU 17 15.719 30.563 32.850 1.00 24.42 N ATOM 114 CA GLU 17 14.302 30.547 32.519 1.00 24.36 C ATOM 115 C GLU 17 13.956 31.291 31.246 1.00 25.58 C ATOM 116 O GLU 17 13.072 30.824 30.531 1.00 29.79 O ATOM 117 CB GLU 17 13.466 31.135 33.642 1.00 23.24 C ATOM 118 CG GLU 17 13.237 30.118 34.754 1.00 23.31 C ATOM 119 CD GLU 17 12.210 30.542 35.793 1.00 23.83 C ATOM 120 OE1 GLU 17 12.510 31.423 36.597 1.00 27.22 O ATOM 121 OE2 GLU 17 11.106 29.998 35.787 1.00 26.12 O ATOM 122 N LEU 18 14.606 32.418 30.919 1.00 25.83 N ATOM 123 CA LEU 18 14.361 33.130 29.667 1.00 27.43 C ATOM 124 C LEU 18 14.707 32.249 28.481 1.00 28.80 C ATOM 125 O LEU 18 13.921 32.048 27.557 1.00 31.84 O ATOM 126 CB LEU 18 15.207 34.405 29.560 1.00 26.84 C ATOM 127 CG LEU 18 14.784 35.762 30.133 1.00 29.79 C ATOM 128 CD1 LEU 18 13.422 35.696 30.808 1.00 28.80 C ATOM 129 CD2 LEU 18 15.855 36.201 31.111 1.00 27.40 C ATOM 130 N GLU 19 15.909 31.689 28.584 1.00 29.81 N ATOM 131 CA GLU 19 16.499 30.784 27.614 1.00 31.79 C ATOM 132 C GLU 19 15.615 29.568 27.338 1.00 33.98 C ATOM 133 O GLU 19 15.410 29.158 26.195 1.00 32.95 O ATOM 134 CB GLU 19 17.849 30.430 28.208 1.00 33.72 C ATOM 135 CG GLU 19 18.874 29.668 27.401 1.00 37.55 C ATOM 136 CD GLU 19 20.216 29.659 28.121 1.00 36.62 C ATOM 137 OE1 GLU 19 20.392 28.861 29.042 1.00 36.91 O ATOM 138 OE2 GLU 19 21.086 30.450 27.757 1.00 34.71 O ATOM 139 N GLU 20 15.049 29.029 28.424 1.00 36.49 N ATOM 140 CA GLU 20 14.177 27.863 28.397 1.00 39.36 C ATOM 141 C GLU 20 12.788 28.149 27.837 1.00 40.12 C ATOM 142 O GLU 20 12.252 27.335 27.084 1.00 42.03 O ATOM 143 CB GLU 20 14.088 27.339 29.816 1.00 39.58 C ATOM 144 CG GLU 20 13.282 26.081 30.054 1.00 39.24 C ATOM 145 CD GLU 20 13.402 25.629 31.496 1.00 39.30 C ATOM 146 OE1 GLU 20 12.776 26.233 32.369 1.00 35.77 O ATOM 147 OE2 GLU 20 14.123 24.662 31.735 1.00 41.80 O ATOM 148 N GLU 21 12.181 29.292 28.184 1.00 40.13 N ATOM 149 CA GLU 21 10.869 29.649 27.656 1.00 42.00 C ATOM 150 C GLU 21 10.961 30.156 26.215 1.00 43.25 C ATOM 151 O GLU 21 9.942 30.358 25.551 1.00 43.28 O ATOM 152 CB GLU 21 10.226 30.716 28.557 1.00 40.44 C ATOM 153 CG GLU 21 10.882 32.098 28.555 1.00 39.40 C ATOM 154 CD GLU 21 10.475 33.045 29.677 1.00 38.31 C ATOM 155 OE1 GLU 21 10.262 32.596 30.806 1.00 38.69 O ATOM 156 OE2 GLU 21 10.403 34.247 29.418 1.00 33.50 O ATOM 157 N GLY 22 12.191 30.364 25.725 1.00 44.98 N ATOM 158 CA GLY 22 12.434 30.790 24.362 1.00 44.92 C ATOM 159 C GLY 22 13.309 32.028 24.302 1.00 45.90 C ATOM 160 O GLY 22 14.354 32.038 23.651 1.00 47.72 O ATOM 161 N VAL 23 12.872 33.042 25.051 1.00 45.30 N ATOM 162 CA VAL 23 13.468 34.374 25.091 1.00 43.88 C ATOM 163 C VAL 23 14.993 34.452 25.229 1.00 41.60 C ATOM 164 O VAL 23 15.623 33.747 26.019 1.00 39.40 O ATOM 165 CB VAL 23 12.766 35.155 26.241 1.00 41.99 C ATOM 166 CG1 VAL 23 13.282 36.580 26.325 1.00 41.80 C ATOM 167 CG2 VAL 23 11.269 35.236 25.969 1.00 40.94 C ATOM 168 N THR 24 15.590 35.321 24.410 1.00 39.13 N ATOM 169 CA THR 24 17.019 35.564 24.464 1.00 36.98 C ATOM 170 C THR 24 17.298 36.464 25.668 1.00 34.57 C ATOM 171 O THR 24 16.648 37.502 25.818 1.00 33.32 O ATOM 172 CB THR 24 17.485 36.225 23.136 1.00 38.88 C ATOM 173 OG1 THR 24 16.767 37.436 22.938 1.00 40.82 O ATOM 174 CG2 THR 24 17.252 35.292 21.954 1.00 38.01 C ATOM 175 N PRO 25 18.199 36.101 26.593 1.00 34.26 N ATOM 176 CA PRO 25 18.477 36.857 27.809 1.00 34.11 C ATOM 177 C PRO 25 19.010 38.262 27.578 1.00 32.83 C ATOM 178 O PRO 25 19.652 38.551 26.567 1.00 33.18 O ATOM 179 CB PRO 25 19.439 35.972 28.572 1.00 33.54 C ATOM 180 CG PRO 25 20.158 35.223 27.479 1.00 34.87 C ATOM 181 CD PRO 25 19.001 34.883 26.554 1.00 33.86 C ATOM 182 N LEU 26 18.678 39.150 28.509 1.00 32.47 N ATOM 183 CA LEU 26 19.125 40.534 28.490 1.00 31.75 C ATOM 184 C LEU 26 19.202 41.052 29.916 1.00 31.86 C ATOM 185 O LEU 26 18.480 40.612 30.816 1.00 29.34 O ATOM 186 CB LEU 26 18.164 41.464 27.740 1.00 29.08 C ATOM 187 CG LEU 26 17.964 41.404 26.229 1.00 31.59 C ATOM 188 CD1 LEU 26 16.905 42.420 25.835 1.00 35.14 C ATOM 189 CD2 LEU 26 19.264 41.707 25.505 1.00 26.47 C ATOM 190 N ARG 27 20.070 42.049 30.090 1.00 34.11 N ATOM 191 CA ARG 27 20.258 42.747 31.354 1.00 36.10 C ATOM 192 C ARG 27 18.982 43.480 31.777 1.00 36.85 C ATOM 193 O ARG 27 18.643 43.542 32.960 1.00 39.30 O ATOM 194 CB ARG 27 21.451 43.682 31.141 1.00 36.11 C ATOM 195 CG ARG 27 21.935 44.578 32.270 1.00 37.80 C ATOM 196 CD ARG 27 23.389 45.003 32.026 1.00 41.20 C ATOM 197 NE ARG 27 23.635 45.507 30.678 1.00 44.11 N ATOM 198 CZ ARG 27 24.759 46.147 30.336 1.00 46.07 C ATOM 199 NH1 ARG 27 25.731 46.404 31.211 1.00 47.58 N ATOM 200 NH2 ARG 27 24.909 46.549 29.076 1.00 45.55 N ATOM 201 N ALA 28 18.227 43.980 30.792 1.00 38.52 N ATOM 202 CA ALA 28 16.955 44.647 31.031 1.00 37.29 C ATOM 203 C ALA 28 15.820 43.688 31.376 1.00 35.01 C ATOM 204 O ALA 28 14.890 44.060 32.092 1.00 31.37 O ATOM 205 CB ALA 28 16.533 45.433 29.800 1.00 40.30 C ATOM 206 N ARG 29 15.883 42.446 30.882 1.00 35.91 N ATOM 207 CA ARG 29 14.842 41.465 31.153 1.00 36.76 C ATOM 208 C ARG 29 14.840 41.000 32.594 1.00 39.11 C ATOM 209 O ARG 29 13.784 40.736 33.165 1.00 42.93 O ATOM 210 CB ARG 29 15.005 40.258 30.252 1.00 35.03 C ATOM 211 CG ARG 29 14.453 40.594 28.881 1.00 39.12 C ATOM 212 CD ARG 29 13.630 39.435 28.346 1.00 44.52 C ATOM 213 NE ARG 29 12.513 39.103 29.220 1.00 50.08 N ATOM 214 CZ ARG 29 11.262 38.957 28.773 1.00 50.72 C ATOM 215 NH1 ARG 29 10.939 39.122 27.489 1.00 46.95 N ATOM 216 NH2 ARG 29 10.310 38.645 29.645 1.00 52.30 N ATOM 217 N ILE 30 16.029 40.938 33.195 1.00 39.92 N ATOM 218 CA ILE 30 16.161 40.584 34.597 1.00 37.73 C ATOM 219 C ILE 30 15.595 41.720 35.458 1.00 38.12 C ATOM 220 O ILE 30 15.023 41.477 36.522 1.00 40.07 O ATOM 221 CB ILE 30 17.654 40.322 34.913 1.00 35.75 C ATOM 222 CG1 ILE 30 18.227 39.201 34.042 1.00 32.13 C ATOM 223 CG2 ILE 30 17.771 39.899 36.367 1.00 35.86 C ATOM 224 CD1 ILE 30 19.734 38.968 34.253 1.00 26.87 C ATOM 225 N ALA 31 15.686 42.979 34.999 1.00 36.84 N ATOM 226 CA ALA 31 15.131 44.128 35.714 1.00 35.14 C ATOM 227 C ALA 31 13.601 44.186 35.815 1.00 34.86 C ATOM 228 O ALA 31 13.034 45.047 36.494 1.00 32.39 O ATOM 229 CB ALA 31 15.608 45.413 35.054 1.00 32.74 C ATOM 230 N GLU 32 12.908 43.259 35.150 1.00 35.85 N ATOM 231 CA GLU 32 11.461 43.160 35.245 1.00 35.51 C ATOM 232 C GLU 32 11.169 41.781 35.819 1.00 35.78 C ATOM 233 O GLU 32 10.509 41.657 36.849 1.00 35.00 O ATOM 234 CB GLU 32 10.813 43.283 33.873 1.00 41.55 C ATOM 235 CG GLU 32 9.306 43.484 34.005 1.00 43.23 C ATOM 236 CD GLU 32 8.445 42.837 32.930 1.00 45.06 C ATOM 237 OE1 GLU 32 8.848 42.778 31.767 1.00 45.84 O ATOM 238 OE2 GLU 32 7.345 42.401 33.268 1.00 48.05 O ATOM 239 N ARG 33 11.665 40.724 35.165 1.00 36.18 N ATOM 240 CA ARG 33 11.500 39.355 35.628 1.00 38.01 C ATOM 241 C ARG 33 12.544 39.111 36.732 1.00 38.02 C ATOM 242 O ARG 33 13.628 38.561 36.474 1.00 39.46 O ATOM 243 CB ARG 33 11.610 38.436 34.403 1.00 40.03 C ATOM 244 CG ARG 33 11.370 36.963 34.736 1.00 39.53 C ATOM 245 CD ARG 33 9.980 36.477 34.321 1.00 40.82 C ATOM 246 NE ARG 33 9.821 36.367 32.864 1.00 44.12 N ATOM 247 CZ ARG 33 8.636 36.275 32.247 1.00 42.81 C ATOM 248 NH1 ARG 33 7.492 36.279 32.945 1.00 40.54 N ATOM 249 NH2 ARG 33 8.488 36.173 30.919 1.00 42.13 N ATOM 250 N LEU 34 12.124 39.564 37.908 1.00 35.48 N ATOM 251 CA LEU 34 12.893 39.559 39.171 1.00 34.84 C ATOM 252 C LEU 34 12.321 40.683 40.048 1.00 37.03 C ATOM 253 O LEU 34 11.954 40.461 41.214 1.00 35.16 O ATOM 254 CB LEU 34 14.371 39.855 38.884 1.00 29.08 C ATOM 255 CG LEU 34 15.285 38.634 39.002 1.00 24.04 C ATOM 256 CD1 LEU 34 16.724 38.999 39.383 1.00 24.14 C ATOM 257 CD2 LEU 34 14.821 37.633 40.059 1.00 27.21 C ATOM 258 N GLU 35 12.299 41.808 39.364 1.00 39.50 N ATOM 259 CA GLU 35 12.010 43.230 39.401 1.00 40.96 C ATOM 260 C GLU 35 12.913 43.929 40.405 1.00 40.87 C ATOM 261 O GLU 35 12.696 44.066 41.612 1.00 40.60 O ATOM 262 CB GLU 35 10.560 43.393 39.879 1.00 43.15 C ATOM 263 CG GLU 35 10.062 42.344 40.865 1.00 43.37 C ATOM 264 CD GLU 35 8.529 42.337 40.941 1.00 43.74 C ATOM 265 OE1 GLU 35 7.837 42.133 39.869 1.00 42.54 O ATOM 266 OE2 GLU 35 7.928 42.537 42.065 1.00 45.87 O ATOM 267 N GLN 36 14.003 44.331 39.749 1.00 40.13 N ATOM 268 CA GLN 36 15.086 45.111 40.328 1.00 40.76 C ATOM 269 C GLN 36 15.223 46.376 39.482 1.00 40.70 C ATOM 270 O GLN 36 14.649 46.465 38.391 1.00 41.44 O ATOM 271 CB GLN 36 16.392 44.345 40.261 1.00 41.74 C ATOM 272 CG GLN 36 16.676 43.264 41.278 1.00 45.93 C ATOM 273 CD GLN 36 17.069 43.797 42.642 1.00 51.94 C ATOM 274 OE1 GLN 36 17.882 44.712 42.764 1.00 51.47 O ATOM 275 NE2 GLN 36 16.521 43.235 43.708 1.00 55.72 N ATOM 276 N SER 37 15.979 47.382 39.930 1.00 38.90 N ATOM 277 CA SER 37 16.135 48.594 39.142 1.00 37.29 C ATOM 278 C SER 37 17.265 48.476 38.130 1.00 36.36 C ATOM 279 O SER 37 18.132 47.607 38.228 1.00 34.38 O ATOM 280 CB SER 37 16.404 49.771 40.064 1.00 36.95 C ATOM 281 OG SER 37 16.212 51.000 39.379 1.00 36.02 O ATOM 282 N GLY 38 17.256 49.387 37.151 1.00 38.63 N ATOM 283 CA GLY 38 18.256 49.451 36.089 1.00 42.91 C ATOM 284 C GLY 38 19.710 49.587 36.556 1.00 43.25 C ATOM 285 O GLY 38 20.563 48.914 35.976 1.00 43.94 O ATOM 286 N PRO 39 20.072 50.414 37.555 1.00 43.61 N ATOM 287 CA PRO 39 21.385 50.396 38.200 1.00 40.70 C ATOM 288 C PRO 39 21.711 49.187 39.063 1.00 38.06 C ATOM 289 O PRO 39 22.838 48.701 38.998 1.00 37.35 O ATOM 290 CB PRO 39 21.432 51.681 38.989 1.00 42.38 C ATOM 291 CG PRO 39 20.549 52.602 38.186 1.00 44.21 C ATOM 292 CD PRO 39 19.392 51.668 37.876 1.00 44.84 C ATOM 293 N THR 40 20.765 48.663 39.854 1.00 36.31 N ATOM 294 CA THR 40 21.046 47.542 40.747 1.00 36.67 C ATOM 295 C THR 40 21.300 46.229 40.008 1.00 36.85 C ATOM 296 O THR 40 22.141 45.435 40.437 1.00 37.09 O ATOM 297 CB THR 40 19.884 47.371 41.765 1.00 36.21 C ATOM 298 OG1 THR 40 18.683 47.118 41.055 1.00 40.50 O ATOM 299 CG2 THR 40 19.706 48.620 42.616 1.00 37.65 C ATOM 300 N VAL 41 20.606 46.002 38.881 1.00 37.96 N ATOM 301 CA VAL 41 20.853 44.848 38.018 1.00 39.48 C ATOM 302 C VAL 41 22.200 45.038 37.338 1.00 39.30 C ATOM 303 O VAL 41 23.016 44.121 37.334 1.00 38.50 O ATOM 304 CB VAL 41 19.746 44.706 36.935 1.00 41.70 C ATOM 305 CG1 VAL 41 20.099 43.682 35.862 1.00 39.80 C ATOM 306 CG2 VAL 41 18.505 44.165 37.593 1.00 39.47 C ATOM 307 N SER 42 22.462 46.232 36.791 1.00 38.72 N ATOM 308 CA SER 42 23.723 46.547 36.126 1.00 38.52 C ATOM 309 C SER 42 24.922 46.475 37.067 1.00 37.73 C ATOM 310 O SER 42 26.065 46.343 36.630 1.00 38.01 O ATOM 311 CB SER 42 23.604 47.939 35.518 1.00 38.55 C ATOM 312 OG SER 42 24.753 48.328 34.782 1.00 44.65 O ATOM 313 N GLN 43 24.655 46.556 38.370 1.00 37.69 N ATOM 314 CA GLN 43 25.663 46.447 39.402 1.00 40.87 C ATOM 315 C GLN 43 26.005 44.974 39.598 1.00 40.08 C ATOM 316 O GLN 43 27.160 44.574 39.450 1.00 38.45 O ATOM 317 CB GLN 43 25.082 47.078 40.658 1.00 43.76 C ATOM 318 CG GLN 43 25.961 47.249 41.877 1.00 41.93 C ATOM 319 CD GLN 43 25.261 48.107 42.916 1.00 42.74 C ATOM 320 OE1 GLN 43 25.697 49.210 43.238 1.00 45.85 O ATOM 321 NE2 GLN 43 24.149 47.641 43.481 1.00 42.82 N ATOM 322 N THR 44 24.990 44.145 39.870 1.00 40.82 N ATOM 323 CA THR 44 25.183 42.723 40.116 1.00 41.24 C ATOM 324 C THR 44 25.649 41.927 38.903 1.00 39.95 C ATOM 325 O THR 44 26.504 41.061 39.058 1.00 40.45 O ATOM 326 CB THR 44 23.880 42.112 40.657 1.00 44.05 C ATOM 327 OG1 THR 44 22.844 42.530 39.781 1.00 51.72 O ATOM 328 CG2 THR 44 23.579 42.533 42.090 1.00 43.88 C ATOM 329 N VAL 45 25.140 42.188 37.689 1.00 39.19 N ATOM 330 CA VAL 45 25.586 41.512 36.468 1.00 37.11 C ATOM 331 C VAL 45 27.060 41.809 36.196 1.00 37.99 C ATOM 332 O VAL 45 27.802 40.943 35.727 1.00 38.39 O ATOM 333 CB VAL 45 24.703 41.962 35.266 1.00 32.62 C ATOM 334 CG1 VAL 45 25.185 41.352 33.957 1.00 30.85 C ATOM 335 CG2 VAL 45 23.282 41.451 35.474 1.00 31.18 C ATOM 336 N ALA 46 27.490 43.028 36.535 1.00 38.66 N ATOM 337 CA ALA 46 28.887 43.418 36.434 1.00 38.51 C ATOM 338 C ALA 46 29.742 42.708 37.479 1.00 37.96 C ATOM 339 O ALA 46 30.900 42.379 37.216 1.00 39.14 O ATOM 340 CB ALA 46 29.034 44.914 36.637 1.00 38.08 C ATOM 341 N ARG 47 29.179 42.436 38.666 1.00 35.64 N ATOM 342 CA ARG 47 29.876 41.701 39.708 1.00 36.70 C ATOM 343 C ARG 47 30.056 40.246 39.302 1.00 34.98 C ATOM 344 O ARG 47 31.165 39.719 39.383 1.00 37.08 O ATOM 345 CB ARG 47 29.093 41.785 41.026 1.00 38.95 C ATOM 346 CG ARG 47 29.490 43.000 41.857 1.00 40.52 C ATOM 347 CD ARG 47 28.321 43.854 42.349 1.00 42.20 C ATOM 348 NE ARG 47 27.436 43.193 43.299 1.00 43.41 N ATOM 349 CZ ARG 47 26.940 43.835 44.367 1.00 44.46 C ATOM 350 NH1 ARG 47 27.249 45.106 44.639 1.00 45.88 N ATOM 351 NH2 ARG 47 26.119 43.192 45.191 1.00 44.78 N ATOM 352 N MET 48 28.995 39.598 38.808 1.00 31.32 N ATOM 353 CA MET 48 29.040 38.204 38.386 1.00 30.87 C ATOM 354 C MET 48 30.083 37.906 37.328 1.00 31.09 C ATOM 355 O MET 48 30.778 36.895 37.423 1.00 31.75 O ATOM 356 CB MET 48 27.701 37.772 37.835 1.00 28.65 C ATOM 357 CG MET 48 26.645 37.552 38.883 1.00 27.15 C ATOM 358 SD MET 48 25.138 36.886 38.138 1.00 19.71 S ATOM 359 CE MET 48 24.332 38.432 37.895 1.00 25.81 C ATOM 360 N GLU 49 30.228 38.772 36.318 1.00 31.60 N ATOM 361 CA GLU 49 31.214 38.522 35.278 1.00 32.29 C ATOM 362 C GLU 49 32.640 38.800 35.734 1.00 31.36 C ATOM 363 O GLU 49 33.586 38.311 35.115 1.00 35.49 O ATOM 364 CB GLU 49 30.892 39.358 34.036 1.00 33.76 C ATOM 365 CG GLU 49 31.151 40.855 34.030 1.00 37.14 C ATOM 366 CD GLU 49 30.896 41.490 32.664 1.00 40.69 C ATOM 367 OE1 GLU 49 31.475 41.038 31.669 1.00 40.91 O ATOM 368 OE2 GLU 49 30.124 42.449 32.601 1.00 39.73 O ATOM 369 N ARG 50 32.833 39.554 36.831 1.00 30.35 N ATOM 370 CA ARG 50 34.170 39.766 37.379 1.00 25.99 C ATOM 371 C ARG 50 34.633 38.446 38.003 1.00 23.17 C ATOM 372 O ARG 50 35.828 38.145 37.980 1.00 19.83 O ATOM 373 CB ARG 50 34.139 40.881 38.435 1.00 27.82 C ATOM 374 CG ARG 50 35.507 41.426 38.868 1.00 30.13 C ATOM 375 CD ARG 50 36.230 42.205 37.763 1.00 34.61 C ATOM 376 NE ARG 50 37.535 42.665 38.222 1.00 33.75 N ATOM 377 CZ ARG 50 38.309 43.504 37.525 1.00 36.57 C ATOM 378 NH1 ARG 50 37.959 43.997 36.336 1.00 37.99 N ATOM 379 NH2 ARG 50 39.479 43.861 38.045 1.00 34.61 N ATOM 380 N ASP 51 33.704 37.646 38.554 1.00 21.38 N ATOM 381 CA ASP 51 34.034 36.315 39.044 1.00 22.21 C ATOM 382 C ASP 51 33.526 35.190 38.129 1.00 21.42 C ATOM 383 O ASP 51 33.192 34.075 38.537 1.00 16.71 O ATOM 384 CB ASP 51 33.493 36.137 40.486 1.00 28.95 C ATOM 385 CG ASP 51 32.058 36.557 40.788 1.00 35.95 C ATOM 386 OD1 ASP 51 31.122 35.979 40.239 1.00 40.24 O ATOM 387 OD2 ASP 51 31.878 37.459 41.603 1.00 41.64 O ATOM 388 N GLY 52 33.470 35.541 36.839 1.00 21.84 N ATOM 389 CA GLY 52 33.183 34.657 35.719 1.00 22.40 C ATOM 390 C GLY 52 31.942 33.792 35.676 1.00 24.53 C ATOM 391 O GLY 52 32.047 32.609 35.356 1.00 25.41 O ATOM 392 N LEU 53 30.767 34.350 35.955 1.00 24.86 N ATOM 393 CA LEU 53 29.533 33.593 35.864 1.00 21.97 C ATOM 394 C LEU 53 28.851 33.886 34.537 1.00 22.11 C ATOM 395 O LEU 53 28.219 33.009 33.951 1.00 19.69 O ATOM 396 CB LEU 53 28.611 33.956 37.029 1.00 21.27 C ATOM 397 CG LEU 53 29.111 33.638 38.444 1.00 19.39 C ATOM 398 CD1 LEU 53 28.047 34.023 39.453 1.00 18.01 C ATOM 399 CD2 LEU 53 29.421 32.154 38.574 1.00 16.40 C ATOM 400 N VAL 54 28.982 35.121 34.035 1.00 22.96 N ATOM 401 CA VAL 54 28.416 35.532 32.753 1.00 23.27 C ATOM 402 C VAL 54 29.415 36.308 31.893 1.00 24.32 C ATOM 403 O VAL 54 30.508 36.672 32.330 1.00 26.21 O ATOM 404 CB VAL 54 27.141 36.426 32.926 1.00 19.73 C ATOM 405 CG1 VAL 54 25.984 35.562 33.386 1.00 19.62 C ATOM 406 CG2 VAL 54 27.379 37.544 33.932 1.00 22.49 C ATOM 407 N VAL 55 29.047 36.491 30.622 1.00 26.23 N ATOM 408 CA VAL 55 29.780 37.280 29.640 1.00 26.78 C ATOM 409 C VAL 55 28.639 38.027 28.958 1.00 27.21 C ATOM 410 O VAL 55 27.674 37.401 28.513 1.00 28.12 O ATOM 411 CB VAL 55 30.502 36.429 28.571 1.00 26.91 C ATOM 412 CG1 VAL 55 31.410 37.349 27.770 1.00 27.54 C ATOM 413 CG2 VAL 55 31.347 35.333 29.188 1.00 31.74 C ATOM 414 N VAL 56 28.711 39.355 28.853 1.00 27.10 N ATOM 415 CA VAL 56 27.613 40.136 28.291 1.00 27.61 C ATOM 416 C VAL 56 27.540 40.013 26.762 1.00 27.81 C ATOM 417 O VAL 56 26.867 39.106 26.270 1.00 24.98 O ATOM 418 CB VAL 56 27.802 41.600 28.796 1.00 26.08 C ATOM 419 CG1 VAL 56 26.682 42.512 28.321 1.00 31.22 C ATOM 420 CG2 VAL 56 27.793 41.599 30.315 1.00 24.29 C ATOM 421 N ALA 57 28.207 40.892 26.003 1.00 28.47 N ATOM 422 CA ALA 57 28.259 40.903 24.546 1.00 31.05 C ATOM 423 C ALA 57 27.053 40.425 23.667 1.00 33.24 C ATOM 424 O ALA 57 26.609 39.272 23.759 1.00 32.77 O ATOM 425 CB ALA 57 29.510 40.138 24.147 1.00 30.96 C ATOM 426 N SER 58 26.754 41.457 22.873 1.00 34.41 N ATOM 427 CA SER 58 25.832 41.660 21.704 1.00 35.84 C ATOM 428 C SER 58 24.519 40.821 21.477 1.00 38.18 C ATOM 429 O SER 58 23.400 41.326 21.624 1.00 37.96 O ATOM 430 CB SER 58 26.631 41.495 20.415 1.00 37.59 C ATOM 431 OG SER 58 27.746 42.386 20.428 1.00 40.15 O ATOM 432 N ASP 59 24.599 39.545 21.064 1.00 41.73 N ATOM 433 CA ASP 59 23.368 38.813 20.566 1.00 43.41 C ATOM 434 C ASP 59 22.398 38.261 21.604 1.00 45.05 C ATOM 435 O ASP 59 21.261 38.725 21.713 1.00 46.12 O ATOM 436 CB ASP 59 23.741 37.656 19.620 1.00 43.81 C ATOM 437 CG ASP 59 24.694 36.615 20.208 1.00 44.46 C ATOM 438 OD1 ASP 59 25.905 36.941 20.503 1.00 43.77 O ATOM 439 OD2 ASP 59 24.287 35.404 20.391 1.00 40.64 O ATOM 440 N ARG 60 22.827 37.250 22.360 1.00 45.08 N ATOM 441 CA ARG 60 22.086 36.705 23.472 1.00 42.27 C ATOM 442 C ARG 60 22.904 37.280 24.622 1.00 40.26 C ATOM 443 O ARG 60 23.701 36.574 25.255 1.00 39.50 O ATOM 444 CB ARG 60 22.129 35.175 23.452 1.00 42.56 C ATOM 445 CG ARG 60 20.849 34.529 22.981 1.00 46.26 C ATOM 446 CD ARG 60 21.080 33.680 21.753 1.00 49.83 C ATOM 447 NE ARG 60 21.665 32.380 22.020 1.00 52.96 N ATOM 448 CZ ARG 60 21.949 31.452 21.103 1.00 52.47 C ATOM 449 NH1 ARG 60 21.840 31.644 19.793 1.00 52.01 N ATOM 450 NH2 ARG 60 22.178 30.192 21.442 1.00 52.26 N ATOM 451 N SER 61 22.743 38.585 24.779 1.00 38.57 N ATOM 452 CA SER 61 23.470 39.359 25.790 1.00 35.05 C ATOM 453 C SER 61 23.257 38.729 27.148 1.00 33.48 C ATOM 454 O SER 61 22.114 38.527 27.585 1.00 34.68 O ATOM 455 CB SER 61 22.986 40.807 25.799 1.00 35.10 C ATOM 456 OG SER 61 23.944 41.635 26.441 1.00 33.94 O ATOM 457 N LEU 62 24.377 38.441 27.752 1.00 29.11 N ATOM 458 CA LEU 62 24.428 37.811 29.058 1.00 27.81 C ATOM 459 C LEU 62 24.392 36.294 28.899 1.00 27.03 C ATOM 460 O LEU 62 23.491 35.619 29.418 1.00 29.02 O ATOM 461 CB LEU 62 23.242 38.261 29.912 1.00 28.61 C ATOM 462 CG LEU 62 23.586 39.429 30.841 1.00 28.37 C ATOM 463 CD1 LEU 62 23.803 40.744 30.088 1.00 26.09 C ATOM 464 CD2 LEU 62 22.492 39.718 31.871 1.00 26.86 C ATOM 465 N GLN 63 25.371 35.806 28.158 1.00 26.23 N ATOM 466 CA GLN 63 25.580 34.364 27.993 1.00 25.74 C ATOM 467 C GLN 63 26.266 33.897 29.263 1.00 24.74 C ATOM 468 O GLN 63 27.004 34.671 29.871 1.00 26.14 O ATOM 469 CB GLN 63 26.498 34.075 26.804 1.00 30.86 C ATOM 470 CG GLN 63 25.902 34.472 25.458 1.00 32.97 C ATOM 471 CD GLN 63 26.910 35.196 24.567 1.00 34.76 C ATOM 472 OE1 GLN 63 27.765 34.556 23.958 1.00 35.22 O ATOM 473 NE2 GLN 63 26.863 36.509 24.458 1.00 35.51 N ATOM 474 N MET 64 26.077 32.666 29.717 1.00 23.34 N ATOM 475 CA MET 64 26.777 32.246 30.915 1.00 21.05 C ATOM 476 C MET 64 27.861 31.229 30.633 1.00 20.40 C ATOM 477 O MET 64 27.736 30.359 29.771 1.00 21.13 O ATOM 478 CB MET 64 25.758 31.714 31.930 1.00 21.04 C ATOM 479 CG MET 64 24.659 30.786 31.452 1.00 22.11 C ATOM 480 SD MET 64 23.344 30.680 32.689 1.00 24.07 S ATOM 481 CE MET 64 22.259 29.572 31.843 1.00 20.49 C ATOM 482 N THR 65 28.974 31.390 31.352 1.00 21.58 N ATOM 483 CA THR 65 30.143 30.525 31.207 1.00 23.01 C ATOM 484 C THR 65 29.887 29.069 31.602 1.00 24.47 C ATOM 485 O THR 65 28.841 28.785 32.186 1.00 28.51 O ATOM 486 CB THR 65 31.301 31.091 32.057 1.00 21.23 C ATOM 487 OG1 THR 65 30.790 31.281 33.370 1.00 19.85 O ATOM 488 CG2 THR 65 31.873 32.376 31.481 1.00 19.89 C ATOM 489 N PRO 66 30.767 28.095 31.317 1.00 25.60 N ATOM 490 CA PRO 66 30.780 26.779 31.949 1.00 26.16 C ATOM 491 C PRO 66 30.547 26.737 33.457 1.00 26.71 C ATOM 492 O PRO 66 29.678 26.001 33.926 1.00 27.06 O ATOM 493 CB PRO 66 32.113 26.232 31.509 1.00 26.40 C ATOM 494 CG PRO 66 32.126 26.660 30.064 1.00 25.89 C ATOM 495 CD PRO 66 31.672 28.108 30.169 1.00 24.96 C ATOM 496 N THR 67 31.288 27.563 34.203 1.00 26.62 N ATOM 497 CA THR 67 31.148 27.669 35.649 1.00 27.13 C ATOM 498 C THR 67 29.799 28.211 36.107 1.00 25.42 C ATOM 499 O THR 67 29.229 27.733 37.090 1.00 22.71 O ATOM 500 CB THR 67 32.271 28.567 36.227 1.00 29.07 C ATOM 501 OG1 THR 67 32.702 29.478 35.214 1.00 30.48 O ATOM 502 CG2 THR 67 33.422 27.719 36.739 1.00 31.47 C ATOM 503 N GLY 68 29.271 29.201 35.383 1.00 25.14 N ATOM 504 CA GLY 68 27.988 29.799 35.705 1.00 24.46 C ATOM 505 C GLY 68 26.816 28.879 35.406 1.00 25.23 C ATOM 506 O GLY 68 25.914 28.722 36.231 1.00 26.95 O ATOM 507 N ARG 69 26.854 28.224 34.241 1.00 24.44 N ATOM 508 CA ARG 69 25.787 27.357 33.762 1.00 24.89 C ATOM 509 C ARG 69 25.549 26.142 34.648 1.00 24.85 C ATOM 510 O ARG 69 24.399 25.751 34.849 1.00 25.79 O ATOM 511 CB ARG 69 26.116 26.919 32.330 1.00 23.82 C ATOM 512 CG ARG 69 25.039 26.080 31.657 1.00 18.53 C ATOM 513 CD ARG 69 25.236 26.008 30.151 1.00 18.87 C ATOM 514 NE ARG 69 24.909 27.265 29.495 1.00 17.73 N ATOM 515 CZ ARG 69 23.673 27.561 29.079 1.00 13.23 C ATOM 516 NH1 ARG 69 22.642 26.731 29.237 1.00 13.47 N ATOM 517 NH2 ARG 69 23.457 28.734 28.495 1.00 9.74 N ATOM 518 N THR 70 26.607 25.565 35.222 1.00 25.96 N ATOM 519 CA THR 70 26.470 24.437 36.131 1.00 25.99 C ATOM 520 C THR 70 25.747 24.810 37.425 1.00 26.81 C ATOM 521 O THR 70 25.082 23.967 38.033 1.00 25.39 O ATOM 522 CB THR 70 27.876 23.861 36.425 1.00 26.12 C ATOM 523 OG1 THR 70 28.748 24.931 36.776 1.00 28.65 O ATOM 524 CG2 THR 70 28.420 23.113 35.216 1.00 22.63 C ATOM 525 N LEU 71 25.831 26.086 37.838 1.00 28.91 N ATOM 526 CA LEU 71 25.110 26.560 39.012 1.00 28.71 C ATOM 527 C LEU 71 23.658 26.831 38.659 1.00 26.53 C ATOM 528 O LEU 71 22.772 26.534 39.463 1.00 25.85 O ATOM 529 CB LEU 71 25.681 27.860 39.562 1.00 29.60 C ATOM 530 CG LEU 71 27.142 27.978 39.939 1.00 36.21 C ATOM 531 CD1 LEU 71 27.327 29.320 40.621 1.00 37.54 C ATOM 532 CD2 LEU 71 27.568 26.866 40.886 1.00 37.75 C ATOM 533 N ALA 72 23.401 27.391 37.467 1.00 23.06 N ATOM 534 CA ALA 72 22.045 27.665 37.008 1.00 21.30 C ATOM 535 C ALA 72 21.239 26.379 36.915 1.00 20.71 C ATOM 536 O ALA 72 20.079 26.334 37.321 1.00 24.20 O ATOM 537 CB ALA 72 22.084 28.322 35.638 1.00 23.46 C ATOM 538 N THR 73 21.873 25.309 36.423 1.00 20.13 N ATOM 539 CA THR 73 21.279 23.984 36.381 1.00 18.94 C ATOM 540 C THR 73 21.026 23.485 37.802 1.00 17.86 C ATOM 541 O THR 73 19.945 22.964 38.069 1.00 17.13 O ATOM 542 CB THR 73 22.238 23.041 35.613 1.00 18.43 C ATOM 543 OG1 THR 73 22.162 23.485 34.266 1.00 21.25 O ATOM 544 CG2 THR 73 21.906 21.557 35.702 1.00 15.97 C ATOM 545 N ALA 74 21.974 23.692 38.730 1.00 15.42 N ATOM 546 CA ALA 74 21.840 23.236 40.106 1.00 11.76 C ATOM 547 C ALA 74 20.668 23.853 40.856 1.00 12.20 C ATOM 548 O ALA 74 19.898 23.095 41.440 1.00 12.45 O ATOM 549 CB ALA 74 23.102 23.541 40.894 1.00 13.57 C ATOM 550 N VAL 75 20.465 25.183 40.857 1.00 10.74 N ATOM 551 CA VAL 75 19.319 25.776 41.550 1.00 13.32 C ATOM 552 C VAL 75 17.998 25.525 40.836 1.00 14.91 C ATOM 553 O VAL 75 16.932 25.661 41.437 1.00 16.94 O ATOM 554 CB VAL 75 19.469 27.308 41.746 1.00 10.18 C ATOM 555 CG1 VAL 75 20.557 27.507 42.771 1.00 13.51 C ATOM 556 CG2 VAL 75 19.791 28.046 40.461 1.00 16.84 C ATOM 557 N MET 76 18.039 25.156 39.551 1.00 18.19 N ATOM 558 CA MET 76 16.843 24.761 38.829 1.00 17.76 C ATOM 559 C MET 76 16.450 23.341 39.193 1.00 15.82 C ATOM 560 O MET 76 15.263 23.039 39.307 1.00 12.91 O ATOM 561 CB MET 76 17.080 24.852 37.332 1.00 21.18 C ATOM 562 CG MET 76 16.634 26.198 36.800 1.00 23.87 C ATOM 563 SD MET 76 14.833 26.355 36.887 1.00 26.74 S ATOM 564 CE MET 76 14.523 26.679 35.180 1.00 27.79 C ATOM 565 N ARG 77 17.458 22.490 39.408 1.00 15.72 N ATOM 566 CA ARG 77 17.279 21.105 39.803 1.00 18.87 C ATOM 567 C ARG 77 16.655 21.110 41.194 1.00 19.30 C ATOM 568 O ARG 77 15.589 20.534 41.399 1.00 25.12 O ATOM 569 CB ARG 77 18.642 20.410 39.825 1.00 20.38 C ATOM 570 CG ARG 77 18.598 18.894 39.856 1.00 20.50 C ATOM 571 CD ARG 77 19.818 18.289 40.521 1.00 21.32 C ATOM 572 NE ARG 77 21.063 18.591 39.849 1.00 22.86 N ATOM 573 CZ ARG 77 22.146 19.021 40.500 1.00 24.80 C ATOM 574 NH1 ARG 77 22.143 19.263 41.811 1.00 20.60 N ATOM 575 NH2 ARG 77 23.258 19.236 39.805 1.00 25.67 N ATOM 576 N LYS 78 17.299 21.824 42.130 1.00 17.82 N ATOM 577 CA LYS 78 16.847 21.987 43.508 1.00 15.72 C ATOM 578 C LYS 78 15.425 22.497 43.612 1.00 16.12 C ATOM 579 O LYS 78 14.635 21.980 44.393 1.00 18.09 O ATOM 580 CB LYS 78 17.768 22.959 44.253 1.00 14.47 C ATOM 581 CG LYS 78 19.126 22.368 44.573 1.00 11.73 C ATOM 582 CD LYS 78 20.178 23.432 44.806 1.00 22.76 C ATOM 583 CE LYS 78 21.549 22.786 44.962 1.00 23.33 C ATOM 584 NZ LYS 78 21.662 22.122 46.244 1.00 25.18 N ATOM 585 N HIS 79 15.092 23.483 42.777 1.00 18.61 N ATOM 586 CA HIS 79 13.771 24.088 42.737 1.00 23.02 C ATOM 587 C HIS 79 12.713 23.094 42.266 1.00 24.48 C ATOM 588 O HIS 79 11.666 22.956 42.897 1.00 24.26 O ATOM 589 CB HIS 79 13.779 25.283 41.787 1.00 25.19 C ATOM 590 CG HIS 79 12.649 26.286 41.963 1.00 24.99 C ATOM 591 ND1 HIS 79 12.743 27.598 41.838 1.00 27.96 N ATOM 592 CD2 HIS 79 11.353 26.009 42.304 1.00 23.02 C ATOM 593 CE1 HIS 79 11.568 28.118 42.099 1.00 27.97 C ATOM 594 NE2 HIS 79 10.733 27.150 42.382 1.00 25.04 N ATOM 595 N ARG 80 12.967 22.400 41.156 1.00 25.09 N ATOM 596 CA ARG 80 11.998 21.476 40.601 1.00 22.28 C ATOM 597 C ARG 80 11.914 20.146 41.330 1.00 21.02 C ATOM 598 O ARG 80 11.042 19.325 41.050 1.00 24.32 O ATOM 599 CB ARG 80 12.338 21.313 39.132 1.00 25.44 C ATOM 600 CG ARG 80 11.786 22.529 38.381 1.00 25.71 C ATOM 601 CD ARG 80 12.495 22.701 37.044 1.00 23.41 C ATOM 602 NE ARG 80 11.840 23.600 36.100 1.00 18.89 N ATOM 603 CZ ARG 80 11.616 24.906 36.303 1.00 17.90 C ATOM 604 NH1 ARG 80 11.919 25.537 37.436 1.00 15.97 N ATOM 605 NH2 ARG 80 11.044 25.602 35.325 1.00 16.01 N ATOM 606 N LEU 81 12.817 19.921 42.287 1.00 18.77 N ATOM 607 CA LEU 81 12.693 18.793 43.188 1.00 18.79 C ATOM 608 C LEU 81 11.994 19.279 44.447 1.00 19.46 C ATOM 609 O LEU 81 11.260 18.515 45.066 1.00 20.70 O ATOM 610 CB LEU 81 14.061 18.235 43.530 1.00 15.01 C ATOM 611 CG LEU 81 14.590 17.201 42.538 1.00 9.96 C ATOM 612 CD1 LEU 81 16.082 17.021 42.722 1.00 8.26 C ATOM 613 CD2 LEU 81 13.848 15.889 42.735 1.00 8.60 C ATOM 614 N ALA 82 12.162 20.563 44.801 1.00 19.95 N ATOM 615 CA ALA 82 11.511 21.178 45.952 1.00 19.49 C ATOM 616 C ALA 82 10.011 21.240 45.748 1.00 22.17 C ATOM 617 O ALA 82 9.257 20.883 46.644 1.00 21.99 O ATOM 618 CB ALA 82 11.980 22.604 46.167 1.00 16.75 C ATOM 619 N GLU 83 9.578 21.665 44.554 1.00 24.45 N ATOM 620 CA GLU 83 8.169 21.723 44.177 1.00 24.72 C ATOM 621 C GLU 83 7.581 20.327 44.062 1.00 26.61 C ATOM 622 O GLU 83 6.433 20.103 44.438 1.00 27.65 O ATOM 623 CB GLU 83 7.994 22.419 42.838 1.00 27.50 C ATOM 624 CG GLU 83 8.404 23.875 42.868 1.00 28.85 C ATOM 625 CD GLU 83 8.369 24.595 41.527 1.00 34.25 C ATOM 626 OE1 GLU 83 8.946 24.111 40.553 1.00 32.57 O ATOM 627 OE2 GLU 83 7.792 25.678 41.466 1.00 37.26 O ATOM 628 N ARG 84 8.369 19.372 43.552 1.00 27.50 N ATOM 629 CA ARG 84 7.943 17.985 43.428 1.00 27.98 C ATOM 630 C ARG 84 7.804 17.363 44.817 1.00 28.24 C ATOM 631 O ARG 84 6.937 16.524 45.034 1.00 33.67 O ATOM 632 CB ARG 84 8.973 17.228 42.609 1.00 30.71 C ATOM 633 CG ARG 84 8.488 15.972 41.895 1.00 35.33 C ATOM 634 CD ARG 84 7.858 16.287 40.539 1.00 34.87 C ATOM 635 NE ARG 84 6.497 16.794 40.598 1.00 35.55 N ATOM 636 CZ ARG 84 5.430 15.991 40.535 1.00 36.15 C ATOM 637 NH1 ARG 84 5.536 14.665 40.442 1.00 38.93 N ATOM 638 NH2 ARG 84 4.216 16.527 40.582 1.00 39.73 N ATOM 639 N LEU 85 8.622 17.791 45.781 1.00 26.11 N ATOM 640 CA LEU 85 8.562 17.333 47.165 1.00 21.91 C ATOM 641 C LEU 85 7.347 17.919 47.869 1.00 17.99 C ATOM 642 O LEU 85 6.500 17.176 48.361 1.00 15.97 O ATOM 643 CB LEU 85 9.858 17.761 47.851 1.00 23.73 C ATOM 644 CG LEU 85 10.004 17.860 49.362 1.00 21.27 C ATOM 645 CD1 LEU 85 10.378 16.531 49.986 1.00 21.44 C ATOM 646 CD2 LEU 85 11.119 18.842 49.649 1.00 24.54 C ATOM 647 N LEU 86 7.231 19.252 47.848 1.00 16.78 N ATOM 648 CA LEU 86 6.185 20.017 48.513 1.00 15.77 C ATOM 649 C LEU 86 4.749 19.740 48.104 1.00 16.70 C ATOM 650 O LEU 86 3.823 20.250 48.740 1.00 18.50 O ATOM 651 CB LEU 86 6.462 21.508 48.322 1.00 15.55 C ATOM 652 CG LEU 86 7.570 22.175 49.130 1.00 11.42 C ATOM 653 CD1 LEU 86 7.931 23.494 48.475 1.00 12.37 C ATOM 654 CD2 LEU 86 7.121 22.390 50.562 1.00 12.75 C ATOM 655 N THR 87 4.531 18.954 47.046 1.00 19.82 N ATOM 656 CA THR 87 3.174 18.594 46.680 1.00 21.02 C ATOM 657 C THR 87 2.983 17.081 46.626 1.00 22.50 C ATOM 658 O THR 87 1.868 16.640 46.908 1.00 21.36 O ATOM 659 CB THR 87 2.776 19.198 45.315 1.00 26.54 C ATOM 660 OG1 THR 87 3.705 20.199 44.917 1.00 23.32 O ATOM 661 CG2 THR 87 1.405 19.851 45.432 1.00 28.44 C ATOM 662 N ASP 88 3.998 16.251 46.298 1.00 23.28 N ATOM 663 CA ASP 88 3.826 14.794 46.290 1.00 27.32 C ATOM 664 C ASP 88 3.598 14.283 47.704 1.00 26.80 C ATOM 665 O ASP 88 2.763 13.414 47.949 1.00 32.33 O ATOM 666 CB ASP 88 5.052 14.074 45.714 1.00 30.44 C ATOM 667 CG ASP 88 5.288 14.203 44.206 1.00 34.58 C ATOM 668 OD1 ASP 88 4.524 14.875 43.509 1.00 36.71 O ATOM 669 OD2 ASP 88 6.266 13.629 43.724 1.00 34.42 O ATOM 670 N ILE 89 4.397 14.805 48.634 1.00 24.58 N ATOM 671 CA ILE 89 4.184 14.603 50.058 1.00 23.95 C ATOM 672 C ILE 89 4.054 16.049 50.629 1.00 25.15 C ATOM 673 O ILE 89 4.169 17.037 49.887 1.00 31.41 O ATOM 674 CB ILE 89 5.360 13.793 50.697 1.00 22.08 C ATOM 675 CG1 ILE 89 6.737 14.273 50.242 1.00 17.81 C ATOM 676 CG2 ILE 89 5.289 12.303 50.361 1.00 20.73 C ATOM 677 CD1 ILE 89 7.474 15.062 51.326 1.00 19.95 C ATOM 678 N ILE 90 3.827 16.180 51.926 1.00 24.07 N ATOM 679 CA ILE 90 3.591 17.504 52.591 1.00 23.09 C ATOM 680 C ILE 90 2.195 18.021 52.189 1.00 21.17 C ATOM 681 O ILE 90 1.546 18.758 52.939 1.00 20.92 O ATOM 682 CB ILE 90 4.668 18.545 52.232 1.00 20.05 C ATOM 683 CG1 ILE 90 6.041 18.190 52.816 1.00 21.18 C ATOM 684 CG2 ILE 90 4.336 19.951 52.769 1.00 21.02 C ATOM 685 CD1 ILE 90 7.156 19.149 52.396 1.00 25.24 C ATOM 686 N GLY 91 1.997 18.179 50.888 1.00 19.67 N ATOM 687 CA GLY 91 0.685 18.564 50.314 1.00 20.47 C ATOM 688 C GLY 91 0.334 20.028 50.554 1.00 19.01 C ATOM 689 O GLY 91 -0.804 20.359 50.915 1.00 21.42 O ATOM 690 N LEU 92 1.302 20.882 50.325 1.00 20.81 N ATOM 691 CA LEU 92 1.124 22.323 50.530 1.00 25.21 C ATOM 692 C LEU 92 0.295 22.970 49.391 1.00 26.12 C ATOM 693 O LEU 92 0.703 22.952 48.218 1.00 26.68 O ATOM 694 CB LEU 92 2.486 23.012 50.618 1.00 23.13 C ATOM 695 CG LEU 92 2.400 24.521 50.861 1.00 20.63 C ATOM 696 CD1 LEU 92 1.865 24.876 52.249 1.00 21.77 C ATOM 697 CD2 LEU 92 3.760 25.219 50.752 1.00 21.77 C ATOM 698 N ASP 93 -0.820 23.474 49.876 1.00 27.91 N ATOM 699 CA ASP 93 -1.859 24.291 49.198 1.00 28.27 C ATOM 700 C ASP 93 -1.561 24.701 47.719 1.00 26.43 C ATOM 701 O ASP 93 -2.344 24.403 46.799 1.00 28.82 O ATOM 702 CB ASP 93 -1.982 25.561 50.053 1.00 28.65 C ATOM 703 CG ASP 93 -3.070 26.543 49.646 1.00 30.33 C ATOM 704 OD1 ASP 93 -3.979 26.196 48.811 1.00 33.16 O ATOM 705 OD2 ASP 93 -3.068 27.733 50.154 1.00 29.99 O ATOM 706 N ILE 94 -0.447 25.391 47.556 1.00 22.33 N ATOM 707 CA ILE 94 -0.210 25.408 45.873 1.00 24.27 C ATOM 708 C ILE 94 -0.838 26.786 45.613 1.00 25.44 C ATOM 709 O ILE 94 -1.942 27.083 46.110 1.00 27.60 O ATOM 710 CB ILE 94 -0.571 24.386 44.788 1.00 25.32 C ATOM 711 CG1 ILE 94 0.437 24.446 43.617 1.00 23.07 C ATOM 712 CG2 ILE 94 -1.946 24.616 44.163 1.00 27.22 C ATOM 713 CD1 ILE 94 0.624 23.117 42.892 1.00 25.12 C ATOM 714 N ASN 95 -0.080 27.530 44.833 1.00 27.29 N ATOM 715 CA ASN 95 -0.247 28.977 44.609 1.00 27.69 C ATOM 716 C ASN 95 0.601 29.544 45.762 1.00 26.01 C ATOM 717 O ASN 95 0.782 30.755 45.891 1.00 25.94 O ATOM 718 CB ASN 95 -1.719 29.396 44.762 1.00 34.00 C ATOM 719 CG ASN 95 -2.553 29.240 43.489 1.00 36.35 C ATOM 720 OD1 ASN 95 -2.895 28.120 43.119 1.00 38.57 O ATOM 721 ND2 ASN 95 -2.919 30.305 42.796 1.00 37.29 N ATOM 722 N LYS 96 1.118 28.641 46.621 1.00 25.49 N ATOM 723 CA LYS 96 2.227 28.973 47.554 1.00 25.05 C ATOM 724 C LYS 96 3.441 28.194 47.056 1.00 23.01 C ATOM 725 O LYS 96 4.573 28.649 47.206 1.00 24.68 O ATOM 726 CB LYS 96 1.856 28.456 48.933 1.00 28.46 C ATOM 727 CG LYS 96 0.726 29.204 49.621 1.00 33.43 C ATOM 728 CD LYS 96 1.271 30.303 50.524 1.00 34.66 C ATOM 729 CE LYS 96 0.136 31.001 51.255 1.00 31.80 C ATOM 730 NZ LYS 96 -0.655 30.068 52.034 1.00 33.69 N ATOM 731 N VAL 97 3.227 27.002 46.467 1.00 22.38 N ATOM 732 CA VAL 97 4.308 26.157 45.962 1.00 26.29 C ATOM 733 C VAL 97 4.860 26.671 44.629 1.00 29.08 C ATOM 734 O VAL 97 4.539 26.261 43.512 1.00 28.18 O ATOM 735 CB VAL 97 3.809 24.683 45.814 1.00 24.58 C ATOM 736 CG1 VAL 97 4.909 23.743 45.322 1.00 27.05 C ATOM 737 CG2 VAL 97 3.423 24.165 47.177 1.00 28.17 C ATOM 738 N HIS 98 5.707 27.666 44.842 1.00 30.78 N ATOM 739 CA HIS 98 6.477 28.350 43.823 1.00 30.14 C ATOM 740 C HIS 98 7.336 29.232 44.691 1.00 29.91 C ATOM 741 O HIS 98 8.550 29.078 44.667 1.00 31.78 O ATOM 742 CB HIS 98 5.682 29.287 42.880 1.00 32.24 C ATOM 743 CG HIS 98 6.618 30.056 41.942 1.00 31.60 C ATOM 744 ND1 HIS 98 7.072 29.662 40.760 1.00 33.45 N ATOM 745 CD2 HIS 98 7.178 31.287 42.210 1.00 30.50 C ATOM 746 CE1 HIS 98 7.883 30.596 40.317 1.00 34.96 C ATOM 747 NE2 HIS 98 7.938 31.564 41.191 1.00 33.75 N ATOM 748 N ASP 99 6.684 30.126 45.448 1.00 28.08 N ATOM 749 CA ASP 99 7.354 31.087 46.313 1.00 27.56 C ATOM 750 C ASP 99 8.145 30.363 47.388 1.00 26.79 C ATOM 751 O ASP 99 9.293 30.700 47.676 1.00 24.69 O ATOM 752 CB ASP 99 6.316 32.011 46.962 1.00 25.84 C ATOM 753 CG ASP 99 5.334 32.697 46.009 1.00 26.79 C ATOM 754 OD1 ASP 99 5.695 33.015 44.874 1.00 25.44 O ATOM 755 OD2 ASP 99 4.194 32.923 46.415 1.00 27.02 O ATOM 756 N GLU 100 7.515 29.316 47.919 1.00 28.68 N ATOM 757 CA GLU 100 8.115 28.459 48.916 1.00 32.98 C ATOM 758 C GLU 100 9.363 27.747 48.424 1.00 33.88 C ATOM 759 O GLU 100 10.403 27.764 49.082 1.00 36.38 O ATOM 760 CB GLU 100 7.087 27.439 49.359 1.00 35.07 C ATOM 761 CG GLU 100 6.804 27.598 50.835 1.00 37.35 C ATOM 762 CD GLU 100 7.995 27.239 51.707 1.00 34.60 C ATOM 763 OE1 GLU 100 8.289 26.058 51.811 1.00 42.45 O ATOM 764 OE2 GLU 100 8.621 28.123 52.285 1.00 30.41 O ATOM 765 N ALA 101 9.268 27.145 47.238 1.00 33.17 N ATOM 766 CA ALA 101 10.405 26.486 46.625 1.00 31.37 C ATOM 767 C ALA 101 11.417 27.487 46.081 1.00 29.19 C ATOM 768 O ALA 101 12.581 27.154 45.856 1.00 29.81 O ATOM 769 CB ALA 101 9.920 25.615 45.499 1.00 32.47 C ATOM 770 N ASP 102 10.984 28.736 45.873 1.00 27.56 N ATOM 771 CA ASP 102 11.852 29.803 45.408 1.00 28.22 C ATOM 772 C ASP 102 12.785 30.196 46.552 1.00 28.69 C ATOM 773 O ASP 102 13.886 30.700 46.297 1.00 31.83 O ATOM 774 CB ASP 102 11.004 31.002 44.967 1.00 26.04 C ATOM 775 CG ASP 102 11.643 32.012 44.016 1.00 25.93 C ATOM 776 OD1 ASP 102 12.564 31.658 43.279 1.00 27.38 O ATOM 777 OD2 ASP 102 11.194 33.159 44.000 1.00 24.21 O ATOM 778 N ARG 103 12.368 29.982 47.804 1.00 24.61 N ATOM 779 CA ARG 103 13.230 30.217 48.946 1.00 21.41 C ATOM 780 C ARG 103 14.087 28.987 49.222 1.00 21.39 C ATOM 781 O ARG 103 15.313 29.100 49.299 1.00 21.02 O ATOM 782 CB ARG 103 12.396 30.553 50.181 1.00 15.78 C ATOM 783 CG ARG 103 11.689 31.887 50.031 1.00 13.68 C ATOM 784 CD ARG 103 11.297 32.511 51.360 1.00 11.24 C ATOM 785 NE ARG 103 10.286 31.776 52.107 1.00 15.78 N ATOM 786 CZ ARG 103 8.988 31.786 51.784 1.00 15.76 C ATOM 787 NH1 ARG 103 8.514 32.420 50.711 1.00 20.32 N ATOM 788 NH2 ARG 103 8.133 31.124 52.553 1.00 17.98 N ATOM 789 N TRP 104 13.453 27.804 49.298 1.00 23.19 N ATOM 790 CA TRP 104 14.111 26.529 49.587 1.00 22.24 C ATOM 791 C TRP 104 15.255 26.141 48.664 1.00 23.66 C ATOM 792 O TRP 104 16.229 25.550 49.136 1.00 24.60 O ATOM 793 CB TRP 104 13.120 25.367 49.549 1.00 23.64 C ATOM 794 CG TRP 104 12.189 25.200 50.748 1.00 23.24 C ATOM 795 CD1 TRP 104 11.750 26.266 51.485 1.00 27.09 C ATOM 796 CD2 TRP 104 11.689 24.005 51.206 1.00 24.33 C ATOM 797 NE1 TRP 104 10.979 25.761 52.407 1.00 29.89 N ATOM 798 CE2 TRP 104 10.907 24.431 52.285 1.00 27.51 C ATOM 799 CE3 TRP 104 11.758 22.644 50.894 1.00 29.54 C ATOM 800 CZ2 TRP 104 10.184 23.527 53.067 1.00 28.85 C ATOM 801 CZ3 TRP 104 11.036 21.736 51.674 1.00 29.07 C ATOM 802 CH2 TRP 104 10.256 22.172 52.750 1.00 29.22 C ATOM 803 N GLU 105 15.165 26.468 47.367 1.00 22.04 N ATOM 804 CA GLU 105 16.200 26.132 46.392 1.00 20.53 C ATOM 805 C GLU 105 17.607 26.614 46.707 1.00 17.96 C ATOM 806 O GLU 105 18.588 25.955 46.367 1.00 21.95 O ATOM 807 CB GLU 105 15.800 26.669 45.012 1.00 20.75 C ATOM 808 CG GLU 105 15.683 28.193 44.918 1.00 19.86 C ATOM 809 CD GLU 105 15.424 28.769 43.532 1.00 18.69 C ATOM 810 OE1 GLU 105 15.651 28.089 42.532 1.00 21.88 O ATOM 811 OE2 GLU 105 15.002 29.920 43.454 1.00 10.80 O ATOM 812 N HIS 106 17.718 27.750 47.393 1.00 15.09 N ATOM 813 CA HIS 106 19.006 28.334 47.734 1.00 15.14 C ATOM 814 C HIS 106 19.648 27.731 48.978 1.00 18.58 C ATOM 815 O HIS 106 20.812 27.987 49.297 1.00 20.89 O ATOM 816 CB HIS 106 18.849 29.816 47.979 1.00 10.65 C ATOM 817 CG HIS 106 18.406 30.619 46.777 1.00 10.51 C ATOM 818 ND1 HIS 106 18.961 30.689 45.578 1.00 15.22 N ATOM 819 CD2 HIS 106 17.334 31.469 46.791 1.00 12.28 C ATOM 820 CE1 HIS 106 18.280 31.547 44.869 1.00 15.47 C ATOM 821 NE2 HIS 106 17.303 32.017 45.607 1.00 16.16 N ATOM 822 N VAL 107 18.864 26.914 49.678 1.00 14.96 N ATOM 823 CA VAL 107 19.242 26.381 50.968 1.00 15.99 C ATOM 824 C VAL 107 19.304 24.853 51.013 1.00 16.66 C ATOM 825 O VAL 107 19.836 24.249 51.945 1.00 18.59 O ATOM 826 CB VAL 107 18.201 27.111 51.866 1.00 19.74 C ATOM 827 CG1 VAL 107 17.605 26.263 52.953 1.00 23.52 C ATOM 828 CG2 VAL 107 18.932 28.274 52.501 1.00 22.45 C ATOM 829 N MET 108 18.782 24.214 49.967 1.00 17.10 N ATOM 830 CA MET 108 18.761 22.767 49.824 1.00 21.54 C ATOM 831 C MET 108 20.138 22.197 49.506 1.00 24.00 C ATOM 832 O MET 108 20.951 22.845 48.844 1.00 25.71 O ATOM 833 CB MET 108 17.783 22.446 48.719 1.00 26.73 C ATOM 834 CG MET 108 17.314 21.011 48.587 1.00 27.95 C ATOM 835 SD MET 108 16.050 20.952 47.296 1.00 27.30 S ATOM 836 CE MET 108 14.847 21.956 48.116 1.00 25.38 C ATOM 837 N SER 109 20.430 20.987 49.988 1.00 23.11 N ATOM 838 CA SER 109 21.706 20.356 49.685 1.00 26.52 C ATOM 839 C SER 109 21.600 19.536 48.414 1.00 25.59 C ATOM 840 O SER 109 20.514 19.224 47.927 1.00 27.52 O ATOM 841 CB SER 109 22.155 19.390 50.770 1.00 26.86 C ATOM 842 OG SER 109 22.152 19.910 52.080 1.00 31.48 O ATOM 843 N ASP 110 22.766 19.172 47.883 1.00 25.65 N ATOM 844 CA ASP 110 22.849 18.199 46.802 1.00 26.94 C ATOM 845 C ASP 110 22.560 16.835 47.427 1.00 25.64 C ATOM 846 O ASP 110 21.893 15.976 46.854 1.00 23.51 O ATOM 847 CB ASP 110 24.249 18.213 46.190 1.00 30.15 C ATOM 848 CG ASP 110 24.646 19.474 45.425 1.00 31.06 C ATOM 849 OD1 ASP 110 24.203 20.571 45.768 1.00 34.64 O ATOM 850 OD2 ASP 110 25.426 19.357 44.482 1.00 29.50 O ATOM 851 N GLU 111 23.034 16.706 48.674 1.00 26.46 N ATOM 852 CA GLU 111 22.853 15.554 49.549 1.00 25.30 C ATOM 853 C GLU 111 21.382 15.238 49.826 1.00 22.33 C ATOM 854 O GLU 111 21.004 14.083 50.011 1.00 20.34 O ATOM 855 CB GLU 111 23.573 15.807 50.879 1.00 30.01 C ATOM 856 CG GLU 111 25.105 15.934 50.844 1.00 33.78 C ATOM 857 CD GLU 111 25.747 17.319 50.721 1.00 32.94 C ATOM 858 OE1 GLU 111 25.265 18.175 49.979 1.00 31.29 O ATOM 859 OE2 GLU 111 26.783 17.524 51.353 1.00 32.87 O ATOM 860 N VAL 112 20.540 16.278 49.843 1.00 21.11 N ATOM 861 CA VAL 112 19.098 16.149 50.031 1.00 20.83 C ATOM 862 C VAL 112 18.419 15.716 48.741 1.00 20.85 C ATOM 863 O VAL 112 17.425 14.989 48.776 1.00 21.36 O ATOM 864 CB VAL 112 18.518 17.502 50.519 1.00 18.49 C ATOM 865 CG1 VAL 112 16.995 17.520 50.633 1.00 19.90 C ATOM 866 CG2 VAL 112 19.060 17.720 51.906 1.00 20.85 C ATOM 867 N GLU 113 18.959 16.155 47.601 1.00 19.96 N ATOM 868 CA GLU 113 18.416 15.798 46.302 1.00 23.67 C ATOM 869 C GLU 113 18.658 14.339 45.963 1.00 24.32 C ATOM 870 O GLU 113 17.794 13.703 45.360 1.00 24.86 O ATOM 871 CB GLU 113 19.037 16.646 45.229 1.00 26.49 C ATOM 872 CG GLU 113 18.754 18.115 45.437 1.00 27.38 C ATOM 873 CD GLU 113 19.391 18.936 44.342 1.00 31.21 C ATOM 874 OE1 GLU 113 20.575 19.254 44.443 1.00 31.98 O ATOM 875 OE2 GLU 113 18.688 19.248 43.387 1.00 34.23 O ATOM 876 N ARG 114 19.827 13.817 46.364 1.00 25.23 N ATOM 877 CA ARG 114 20.197 12.413 46.213 1.00 24.62 C ATOM 878 C ARG 114 19.119 11.533 46.842 1.00 24.27 C ATOM 879 O ARG 114 18.589 10.608 46.226 1.00 23.73 O ATOM 880 CB ARG 114 21.531 12.171 46.909 1.00 28.80 C ATOM 881 CG ARG 114 22.760 12.694 46.181 1.00 30.76 C ATOM 882 CD ARG 114 23.924 13.080 47.096 1.00 40.17 C ATOM 883 NE ARG 114 24.246 12.077 48.101 1.00 46.52 N ATOM 884 CZ ARG 114 25.165 12.285 49.052 1.00 46.42 C ATOM 885 NH1 ARG 114 25.861 13.419 49.121 1.00 46.86 N ATOM 886 NH2 ARG 114 25.385 11.336 49.957 1.00 42.97 N ATOM 887 N ARG 115 18.748 11.884 48.080 1.00 24.83 N ATOM 888 CA ARG 115 17.707 11.197 48.829 1.00 23.73 C ATOM 889 C ARG 115 16.328 11.391 48.209 1.00 23.37 C ATOM 890 O ARG 115 15.566 10.432 48.088 1.00 27.00 O ATOM 891 CB ARG 115 17.731 11.717 50.270 1.00 24.14 C ATOM 892 CG ARG 115 18.296 10.764 51.326 1.00 20.90 C ATOM 893 CD ARG 115 19.617 10.088 50.975 1.00 24.22 C ATOM 894 NE ARG 115 20.689 11.016 50.649 1.00 29.35 N ATOM 895 CZ ARG 115 21.791 11.146 51.400 1.00 26.46 C ATOM 896 NH1 ARG 115 21.963 10.471 52.537 1.00 23.41 N ATOM 897 NH2 ARG 115 22.729 11.999 51.010 1.00 21.80 N ATOM 898 N LEU 116 16.026 12.618 47.762 1.00 19.87 N ATOM 899 CA LEU 116 14.747 12.970 47.153 1.00 17.52 C ATOM 900 C LEU 116 14.427 12.180 45.895 1.00 18.31 C ATOM 901 O LEU 116 13.278 11.802 45.682 1.00 18.41 O ATOM 902 CB LEU 116 14.730 14.457 46.814 1.00 15.80 C ATOM 903 CG LEU 116 13.785 15.385 47.582 1.00 15.28 C ATOM 904 CD1 LEU 116 14.006 15.280 49.083 1.00 14.94 C ATOM 905 CD2 LEU 116 14.024 16.804 47.113 1.00 11.33 C ATOM 906 N VAL 117 15.453 11.892 45.088 1.00 19.48 N ATOM 907 CA VAL 117 15.332 11.108 43.864 1.00 19.34 C ATOM 908 C VAL 117 14.768 9.704 44.119 1.00 22.90 C ATOM 909 O VAL 117 14.051 9.157 43.276 1.00 23.28 O ATOM 910 CB VAL 117 16.753 11.093 43.221 1.00 16.74 C ATOM 911 CG1 VAL 117 16.932 10.061 42.121 1.00 19.27 C ATOM 912 CG2 VAL 117 16.946 12.450 42.565 1.00 12.17 C ATOM 913 N LYS 118 15.043 9.115 45.293 1.00 26.31 N ATOM 914 CA LYS 118 14.533 7.796 45.648 1.00 25.98 C ATOM 915 C LYS 118 13.142 7.849 46.272 1.00 27.49 C ATOM 916 O LYS 118 12.303 6.980 46.035 1.00 29.65 O ATOM 917 CB LYS 118 15.408 7.083 46.667 1.00 23.72 C ATOM 918 CG LYS 118 16.919 7.049 46.489 1.00 25.74 C ATOM 919 CD LYS 118 17.515 5.981 47.415 1.00 31.78 C ATOM 920 CE LYS 118 17.161 6.207 48.889 1.00 34.82 C ATOM 921 NZ LYS 118 17.467 5.042 49.700 1.00 32.20 N ATOM 922 N VAL 119 12.906 8.869 47.105 1.00 26.19 N ATOM 923 CA VAL 119 11.649 9.029 47.827 1.00 24.42 C ATOM 924 C VAL 119 10.480 9.389 46.906 1.00 24.00 C ATOM 925 O VAL 119 9.357 8.912 47.095 1.00 23.47 O ATOM 926 CB VAL 119 11.852 10.110 48.938 1.00 23.86 C ATOM 927 CG1 VAL 119 10.609 10.249 49.815 1.00 18.90 C ATOM 928 CG2 VAL 119 12.990 9.685 49.861 1.00 24.02 C ATOM 929 N LEU 120 10.736 10.220 45.893 1.00 20.07 N ATOM 930 CA LEU 120 9.708 10.648 44.962 1.00 20.24 C ATOM 931 C LEU 120 9.561 9.684 43.793 1.00 20.31 C ATOM 932 O LEU 120 10.471 8.914 43.476 1.00 19.34 O ATOM 933 CB LEU 120 10.049 12.043 44.445 1.00 20.69 C ATOM 934 CG LEU 120 10.259 13.139 45.479 1.00 22.53 C ATOM 935 CD1 LEU 120 10.847 14.350 44.792 1.00 20.48 C ATOM 936 CD2 LEU 120 8.949 13.462 46.172 1.00 26.41 C ATOM 937 N LYS 121 8.393 9.724 43.147 1.00 20.83 N ATOM 938 CA LYS 121 8.112 8.824 42.039 1.00 25.62 C ATOM 939 C LYS 121 8.351 9.483 40.684 1.00 29.72 C ATOM 940 O LYS 121 9.278 9.116 39.960 1.00 29.53 O ATOM 941 CB LYS 121 6.669 8.345 42.125 1.00 25.91 C ATOM 942 CG LYS 121 6.240 7.833 43.496 1.00 23.20 C ATOM 943 CD LYS 121 4.782 7.379 43.526 1.00 27.51 C ATOM 944 CE LYS 121 3.788 8.403 42.968 1.00 31.59 C ATOM 945 NZ LYS 121 3.928 9.703 43.597 1.00 30.03 N ATOM 946 N ASP 122 7.514 10.464 40.312 1.00 33.73 N ATOM 947 CA ASP 122 7.662 11.165 39.044 1.00 37.02 C ATOM 948 C ASP 122 8.623 12.339 39.159 1.00 36.36 C ATOM 949 O ASP 122 8.219 13.503 39.206 1.00 39.07 O ATOM 950 CB ASP 122 6.305 11.679 38.560 1.00 38.76 C ATOM 951 CG ASP 122 5.339 10.583 38.148 1.00 46.45 C ATOM 952 OD1 ASP 122 5.398 10.157 36.993 1.00 50.80 O ATOM 953 OD2 ASP 122 4.529 10.171 38.982 1.00 45.90 O ATOM 954 N VAL 123 9.920 12.025 39.228 1.00 32.56 N ATOM 955 CA VAL 123 10.935 13.063 39.313 1.00 29.97 C ATOM 956 C VAL 123 11.143 13.799 37.997 1.00 29.30 C ATOM 957 O VAL 123 11.667 14.903 38.011 1.00 27.17 O ATOM 958 CB VAL 123 12.303 12.486 39.773 1.00 30.98 C ATOM 959 CG1 VAL 123 12.178 12.086 41.232 1.00 34.28 C ATOM 960 CG2 VAL 123 12.724 11.279 38.942 1.00 33.25 C ATOM 961 N SER 124 10.693 13.236 36.866 1.00 30.99 N ATOM 962 CA SER 124 10.863 13.795 35.526 1.00 27.58 C ATOM 963 C SER 124 10.347 15.207 35.293 1.00 28.12 C ATOM 964 O SER 124 11.025 16.034 34.681 1.00 26.40 O ATOM 965 CB SER 124 10.195 12.858 34.527 1.00 23.91 C ATOM 966 OG SER 124 8.824 12.646 34.837 1.00 21.55 O ATOM 967 N ARG 125 9.130 15.474 35.762 1.00 31.13 N ATOM 968 CA ARG 125 8.535 16.787 35.625 1.00 32.54 C ATOM 969 C ARG 125 8.722 17.617 36.905 1.00 33.29 C ATOM 970 O ARG 125 9.745 17.498 37.574 1.00 39.35 O ATOM 971 CB ARG 125 7.044 16.598 35.253 1.00 35.04 C ATOM 972 CG ARG 125 6.143 15.893 36.272 1.00 37.12 C ATOM 973 CD ARG 125 4.672 16.145 35.966 1.00 34.38 C ATOM 974 NE ARG 125 3.886 15.970 37.173 1.00 33.72 N ATOM 975 CZ ARG 125 3.202 14.856 37.452 1.00 34.45 C ATOM 976 NH1 ARG 125 3.141 13.826 36.607 1.00 33.70 N ATOM 977 NH2 ARG 125 2.546 14.794 38.608 1.00 35.65 N ATOM 978 N SER 126 7.766 18.478 37.256 1.00 35.08 N ATOM 979 CA SER 126 7.769 19.370 38.412 1.00 36.90 C ATOM 980 C SER 126 6.387 19.975 38.261 1.00 38.71 C ATOM 981 O SER 126 6.209 20.571 37.198 1.00 44.22 O ATOM 982 CB SER 126 8.810 20.478 38.265 1.00 34.71 C ATOM 983 OG SER 126 8.557 21.599 39.109 1.00 35.59 O ATOM 984 N PRO 127 5.430 19.948 39.211 1.00 38.05 N ATOM 985 CA PRO 127 3.977 19.870 38.970 1.00 38.95 C ATOM 986 C PRO 127 3.450 20.551 37.705 1.00 40.25 C ATOM 987 O PRO 127 2.712 19.978 36.910 1.00 45.99 O ATOM 988 CB PRO 127 3.359 20.445 40.222 1.00 37.60 C ATOM 989 CG PRO 127 4.340 20.040 41.288 1.00 38.09 C ATOM 990 CD PRO 127 5.672 20.333 40.598 1.00 37.31 C ATOM 991 N PHE 128 4.004 21.753 37.516 1.00 37.80 N ATOM 992 CA PHE 128 3.820 22.678 36.402 1.00 33.50 C ATOM 993 C PHE 128 4.224 22.184 35.001 1.00 32.11 C ATOM 994 O PHE 128 4.137 22.953 34.042 1.00 32.89 O ATOM 995 CB PHE 128 4.594 23.966 36.741 1.00 34.02 C ATOM 996 CG PHE 128 4.283 24.505 38.137 1.00 29.12 C ATOM 997 CD1 PHE 128 3.182 25.342 38.334 1.00 31.88 C ATOM 998 CD2 PHE 128 5.084 24.138 39.228 1.00 29.86 C ATOM 999 CE1 PHE 128 2.882 25.796 39.618 1.00 31.77 C ATOM 1000 CE2 PHE 128 4.778 24.597 40.506 1.00 28.18 C ATOM 1001 CZ PHE 128 3.674 25.420 40.699 1.00 28.62 C ATOM 1002 N GLY 129 4.690 20.937 34.829 1.00 30.21 N ATOM 1003 CA GLY 129 4.972 20.378 33.515 1.00 28.42 C ATOM 1004 C GLY 129 6.410 20.452 33.023 1.00 29.46 C ATOM 1005 O GLY 129 6.796 19.730 32.099 1.00 29.75 O ATOM 1006 N ASN 130 7.232 21.310 33.630 1.00 29.14 N ATOM 1007 CA ASN 130 8.614 21.499 33.212 1.00 27.41 C ATOM 1008 C ASN 130 9.530 20.326 33.540 1.00 25.70 C ATOM 1009 O ASN 130 9.354 19.718 34.594 1.00 28.79 O ATOM 1010 CB ASN 130 9.149 22.754 33.867 1.00 30.52 C ATOM 1011 CG ASN 130 9.627 23.741 32.823 1.00 35.87 C ATOM 1012 OD1 ASN 130 8.831 24.320 32.085 1.00 38.45 O ATOM 1013 ND2 ASN 130 10.931 23.957 32.725 1.00 35.58 N ATOM 1014 N PRO 131 10.495 19.953 32.686 1.00 23.44 N ATOM 1015 CA PRO 131 11.539 18.980 32.998 1.00 22.80 C ATOM 1016 C PRO 131 12.452 19.421 34.129 1.00 23.17 C ATOM 1017 O PRO 131 12.691 20.611 34.332 1.00 21.91 O ATOM 1018 CB PRO 131 12.281 18.788 31.693 1.00 21.31 C ATOM 1019 CG PRO 131 11.231 19.107 30.659 1.00 24.35 C ATOM 1020 CD PRO 131 10.565 20.329 31.279 1.00 25.21 C ATOM 1021 N ILE 132 12.949 18.453 34.891 1.00 27.22 N ATOM 1022 CA ILE 132 13.876 18.714 35.978 1.00 30.06 C ATOM 1023 C ILE 132 15.294 18.631 35.375 1.00 30.93 C ATOM 1024 O ILE 132 15.766 17.572 34.954 1.00 34.10 O ATOM 1025 CB ILE 132 13.461 17.653 37.083 1.00 33.11 C ATOM 1026 CG1 ILE 132 13.980 18.090 38.452 1.00 33.37 C ATOM 1027 CG2 ILE 132 13.945 16.252 36.712 1.00 35.07 C ATOM 1028 CD1 ILE 132 15.451 17.833 38.795 1.00 29.85 C ATOM 1029 N PRO 133 16.015 19.749 35.214 1.00 32.49 N ATOM 1030 CA PRO 133 17.236 19.803 34.418 1.00 34.29 C ATOM 1031 C PRO 133 18.510 19.294 35.081 1.00 38.96 C ATOM 1032 O PRO 133 18.726 19.474 36.280 1.00 41.34 O ATOM 1033 CB PRO 133 17.299 21.255 34.009 1.00 33.05 C ATOM 1034 CG PRO 133 16.806 21.959 35.247 1.00 31.67 C ATOM 1035 CD PRO 133 15.639 21.080 35.686 1.00 33.35 C ATOM 1036 N GLY 134 19.319 18.616 34.254 1.00 42.55 N ATOM 1037 CA GLY 134 20.641 18.082 34.597 1.00 44.70 C ATOM 1038 C GLY 134 20.805 17.395 35.948 1.00 43.87 C ATOM 1039 O GLY 134 21.088 18.050 36.949 1.00 44.78 O ATOM 1040 N LEU 135 20.706 16.065 35.967 1.00 44.07 N ATOM 1041 CA LEU 135 20.806 15.302 37.204 1.00 43.33 C ATOM 1042 C LEU 135 22.226 14.759 37.364 1.00 45.38 C ATOM 1043 O LEU 135 22.644 13.835 36.659 1.00 44.74 O ATOM 1044 CB LEU 135 19.814 14.131 37.187 1.00 41.30 C ATOM 1045 CG LEU 135 18.444 14.263 36.511 1.00 38.28 C ATOM 1046 CD1 LEU 135 17.675 12.976 36.730 1.00 39.98 C ATOM 1047 CD2 LEU 135 17.669 15.435 37.071 1.00 34.42 C ATOM 1048 N ASP 136 23.000 15.370 38.267 1.00 46.29 N ATOM 1049 CA ASP 136 24.379 14.962 38.542 1.00 45.72 C ATOM 1050 C ASP 136 24.481 13.913 39.648 1.00 46.88 C ATOM 1051 O ASP 136 25.146 12.885 39.547 1.00 48.64 O ATOM 1052 CB ASP 136 25.185 16.215 38.924 1.00 41.16 C ATOM 1053 CG ASP 136 26.629 16.003 39.373 1.00 35.96 C ATOM 1054 OD1 ASP 136 27.528 16.020 38.535 1.00 37.11 O ATOM 1055 OD2 ASP 136 26.860 15.832 40.567 1.00 33.93 O END