HEADER OXYGEN TRANSPORT 08-DEC-97 1A00 TITLE HEMOGLOBIN (VAL BETA1 MET, TRP BETA37 TYR) MUTANT COMPND MOL_ID: 1; COMPND 2 MOLECULE: DEOXYHEMOGLOBIN A; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: SYNTHETIC BETA GLOBIN GENE; COMPND 5 MUTATION: CHAIN B, D, V1M, W37Y; COMPND 6 BIOLOGICAL_UNIT: TETRAMER SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 CELL: RED BLOOD CELL; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_VECTOR: PET8C; SOURCE 8 EXPRESSION_SYSTEM_GENE: HUMAN BETA GLOBIN KEYWDS OXYGEN TRANSPORT EXPDTA X-RAY DIFFRACTION AUTHOR J.S.KAVANAUGH,A.ARNONE REVDAT 1 18-MAR-98 1A00 0 JRNL AUTH J.S.KAVANAUGH,J.A.WEYDERT,P.H.ROGERS,A.ARNONE JRNL TITL HIGH RESOLUTION CRYSTAL STRUCTURES OF HUMAN JRNL TITL 2 HEMOGLOBIN WITH MUTATIONS AT TRYPTOPHAN 37BETA: THE JRNL TITL 3 STRUCTURAL BASIS FOR A HIGH AFFINITY T-STATE JRNL REF TO BE PUBLISHED JRNL REFN 0353 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.S.KAVANAUGH,P.H.ROGERS,D.A.CASE,A.ARNONE REMARK 1 TITL HIGH-RESOLUTION X-RAY STUDY OF DEOXYHEMOGLOBIN REMARK 1 TITL 2 ROTHSCHILD 37 BETA TRP-->ARG: A MUTATION THAT REMARK 1 TITL 3 CREATES AN INTERSUBUNIT CHLORIDE-BINDING SITE REMARK 1 REF BIOCHEMISTRY V. 31 4111 1992 REMARK 1 REFN ASTM BICHAW US ISSN 0006-2960 0033 REMARK 2 REMARK 2 RESOLUTION. 2.0 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROLSQ REMARK 3 AUTHORS : KONNERT,HENDRICKSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.0 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.0 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.0 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.1 REMARK 3 NUMBER OF REFLECTIONS : 34844 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : NULL REMARK 3 R VALUE (WORKING SET) : 0.169 REMARK 3 FREE R VALUE : 0.223 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10. REMARK 3 FREE R VALUE TEST SET COUNT : 3470 REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.171 REMARK 3 FREE R VALUE (NO CUTOFF) : 0.224 REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 10. REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : 4463 REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 44641 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 4382 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 172 REMARK 3 SOLVENT ATOMS : 216 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.9 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 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : 0.013 ; 0.010 REMARK 3 ANGLE DISTANCE (A) : 0.030 ; 0.015 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.049 ; 0.030 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.013 ; 0.010 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.143 ; 0.080 REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : 0.172 ; 0.200 REMARK 3 MULTIPLE TORSION (A) : 0.168 ; 0.200 REMARK 3 H-BOND (X...Y) (A) : 0.175 ; 0.200 REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : 2.8 ; 5.0 REMARK 3 STAGGERED (DEGREES) : 20.3 ; 15.0 REMARK 3 TRANSVERSE (DEGREES) : 32.4 ; 25.0 REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 2.6 ; 2.0 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.5 ; 3.0 REMARK 3 SIDE-CHAIN BOND (A**2) : 8.8 ; 4.0 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 12.3 ; 6.0 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STARTING MODEL FOR REMARK 3 REFINEMENT WAS THE BV1M STRUCTURE IN PDB ENTRY 1A0Z. REMARK 4 REMARK 4 1A00 COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996 REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 31-OCT-1995 REMARK 200 TEMPERATURE (KELVIN) : 295 REMARK 200 PH : 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : GRAPHITE REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : MULTIWIRE REMARK 200 DETECTOR MANUFACTURER : SDMS REMARK 200 INTENSITY-INTEGRATION SOFTWARE : SDMS SOFTWARE REMARK 200 DATA SCALING SOFTWARE : SDMS SOFTWARE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 40226 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.0 REMARK 200 RESOLUTION RANGE LOW (A) : 25.0 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0. REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.1 REMARK 200 DATA REDUNDANCY : 5.9 REMARK 200 R MERGE (I) : 0.069 REMARK 200 R SYM (I) : 0.069 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 8.6 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.15 REMARK 200 COMPLETENESS FOR SHELL (%) : 86.3 REMARK 200 DATA REDUNDANCY IN SHELL : 3.0 REMARK 200 R MERGE FOR SHELL (I) : 0.191 REMARK 200 R SYM FOR SHELL (I) : 0.191 REMARK 200 <I/SIGMA(I)> FOR SHELL : 2.24 REMARK 200 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: ISOMORPHOUS WITH REMARK 200 DEOXYHEMOGLOBIN A REMARK 200 SOFTWARE USED: PROLSQ REMARK 200 STARTING MODEL: BV1M STRUCTURE, PDB ENTRY 1A0Z. REMARK 200 REMARK 200 REMARK: BV1M STRUCTURE IN ENTRY 1A0Z WAS USED AS THE REMARK 200 STARTING MODEL FOR RIGID BODY REFINEMENT WITH X-PLOR REMARK 200 FOLLOWED BY LEAST-SQUARES REFINEMENT WITH PROLSQ. REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 47. REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.32 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 10.5% PEG 6000 10 MM POTASSIUM REMARK 280 PHOSPHATE PH 7.0 100 MM POTASSIUM CHLORIDE 3 MM SODIUM REMARK 280 DITHIONITE REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 1/2-X,-Y,1/2+Z REMARK 290 3555 -X,1/2+Y,1/2-Z REMARK 290 4555 1/2+X,1/2-Y,-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 -1.000000 0.000000 0.000000 42.04861 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 31.89996 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 55.99731 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 31.89996 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 42.04861 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 55.99731 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 295 REMARK 295 NON-CRYSTALLOGRAPHIC SYMMETRY REMARK 295 THE TRANSFORMATIONS PRESENTED ON THE MTRIX RECORDS BELOW REMARK 295 DESCRIBE NON-CRYSTALLOGRAPHIC RELATIONSHIPS AMONG ATOMS REMARK 295 IN THIS ENTRY. APPLYING THE APPROPRIATE MTRIX REMARK 295 TRANSFORMATION TO THE RESIDUES LISTED FIRST WILL YIELD REMARK 295 APPROXIMATE COORDINATES FOR THE RESIDUES LISTED SECOND. REMARK 295 CHAIN IDENTIFIERS GIVEN AS "?" REFER TO CHAINS FOR WHICH REMARK 295 ATOMS ARE NOT FOUND IN THIS ENTRY. REMARK 295 REMARK 295 APPLIED TO TRANSFORMED TO REMARK 295 TRANSFORM CHAIN RESIDUES CHAIN RESIDUES RMSD REMARK 295 SSS REMARK 295 M 1 A 1 .. 141 C 1 .. 141 0.209 REMARK 295 M 1 B 1 .. 146 D 1 .. 146 0.282 REMARK 295 REMARK 295 WHERE SSS -> COLUMNS 8-10 OF MTRIX RECORDS REMARK 295 REMARK 295 REMARK: NULL 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 0 HOH 235 DISTANCE = 5.14 ANGSTROMS REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 THIS ENTRY IS RELATED TO PDB ENTRIES 1A0U, 1A0V, 1A0W, REMARK 900 1A0X, 1A0Y, 1A0Z, 1A01. DBREF 1A00 A 1 141 SWS P01922 HBA_HUMAN 1 141 DBREF 1A00 B 1 146 SWS P02023 HBB_HUMAN 1 146 DBREF 1A00 C 1 141 SWS P01922 HBA_HUMAN 1 141 DBREF 1A00 D 1 146 SWS P02023 HBB_HUMAN 1 146 SEQADV 1A00 MET B 1 SWS P02023 VAL 1 ENGINEERED SEQADV 1A00 TYR B 37 SWS P02023 TRP 37 ENGINEERED SEQADV 1A00 MET D 1 SWS P02023 VAL 1 ENGINEERED SEQADV 1A00 TYR D 37 SWS P02023 TRP 37 ENGINEERED SEQRES 1 A 141 VAL LEU SER PRO ALA ASP LYS THR ASN VAL LYS ALA ALA SEQRES 2 A 141 TRP GLY LYS VAL GLY ALA HIS ALA GLY GLU TYR GLY ALA SEQRES 3 A 141 GLU ALA LEU GLU ARG MET PHE LEU SER PHE PRO THR THR SEQRES 4 A 141 LYS THR TYR PHE PRO HIS PHE ASP LEU SER HIS GLY SER SEQRES 5 A 141 ALA GLN VAL LYS GLY HIS GLY LYS LYS VAL ALA ASP ALA SEQRES 6 A 141 LEU THR ASN ALA VAL ALA HIS VAL ASP ASP MET PRO ASN SEQRES 7 A 141 ALA LEU SER ALA LEU SER ASP LEU HIS ALA HIS LYS LEU SEQRES 8 A 141 ARG VAL ASP PRO VAL ASN PHE LYS LEU LEU SER HIS CYS SEQRES 9 A 141 LEU LEU VAL THR LEU ALA ALA HIS LEU PRO ALA GLU PHE SEQRES 10 A 141 THR PRO ALA VAL HIS ALA SER LEU ASP LYS PHE LEU ALA SEQRES 11 A 141 SER VAL SER THR VAL LEU THR SER LYS TYR ARG SEQRES 1 B 146 MET HIS LEU THR PRO GLU GLU LYS SER ALA VAL THR ALA SEQRES 2 B 146 LEU TRP GLY LYS VAL ASN VAL ASP GLU VAL GLY GLY GLU SEQRES 3 B 146 ALA LEU GLY ARG LEU LEU VAL VAL TYR PRO TYR THR GLN SEQRES 4 B 146 ARG PHE PHE GLU SER PHE GLY ASP LEU SER THR PRO ASP SEQRES 5 B 146 ALA VAL MET GLY ASN PRO LYS VAL LYS ALA HIS GLY LYS SEQRES 6 B 146 LYS VAL LEU GLY ALA PHE SER ASP GLY LEU ALA HIS LEU SEQRES 7 B 146 ASP ASN LEU LYS GLY THR PHE ALA THR LEU SER GLU LEU SEQRES 8 B 146 HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG SEQRES 9 B 146 LEU LEU GLY ASN VAL LEU VAL CYS VAL LEU ALA HIS HIS SEQRES 10 B 146 PHE GLY LYS GLU PHE THR PRO PRO VAL GLN ALA ALA TYR SEQRES 11 B 146 GLN LYS VAL VAL ALA GLY VAL ALA ASN ALA LEU ALA HIS SEQRES 12 B 146 LYS TYR HIS SEQRES 1 C 141 VAL LEU SER PRO ALA ASP LYS THR ASN VAL LYS ALA ALA SEQRES 2 C 141 TRP GLY LYS VAL GLY ALA HIS ALA GLY GLU TYR GLY ALA SEQRES 3 C 141 GLU ALA LEU GLU ARG MET PHE LEU SER PHE PRO THR THR SEQRES 4 C 141 LYS THR TYR PHE PRO HIS PHE ASP LEU SER HIS GLY SER SEQRES 5 C 141 ALA GLN VAL LYS GLY HIS GLY LYS LYS VAL ALA ASP ALA SEQRES 6 C 141 LEU THR ASN ALA VAL ALA HIS VAL ASP ASP MET PRO ASN SEQRES 7 C 141 ALA LEU SER ALA LEU SER ASP LEU HIS ALA HIS LYS LEU SEQRES 8 C 141 ARG VAL ASP PRO VAL ASN PHE LYS LEU LEU SER HIS CYS SEQRES 9 C 141 LEU LEU VAL THR LEU ALA ALA HIS LEU PRO ALA GLU PHE SEQRES 10 C 141 THR PRO ALA VAL HIS ALA SER LEU ASP LYS PHE LEU ALA SEQRES 11 C 141 SER VAL SER THR VAL LEU THR SER LYS TYR ARG SEQRES 1 D 146 MET HIS LEU THR PRO GLU GLU LYS SER ALA VAL THR ALA SEQRES 2 D 146 LEU TRP GLY LYS VAL ASN VAL ASP GLU VAL GLY GLY GLU SEQRES 3 D 146 ALA LEU GLY ARG LEU LEU VAL VAL TYR PRO TYR THR GLN SEQRES 4 D 146 ARG PHE PHE GLU SER PHE GLY ASP LEU SER THR PRO ASP SEQRES 5 D 146 ALA VAL MET GLY ASN PRO LYS VAL LYS ALA HIS GLY LYS SEQRES 6 D 146 LYS VAL LEU GLY ALA PHE SER ASP GLY LEU ALA HIS LEU SEQRES 7 D 146 ASP ASN LEU LYS GLY THR PHE ALA THR LEU SER GLU LEU SEQRES 8 D 146 HIS CYS ASP LYS LEU HIS VAL ASP PRO GLU ASN PHE ARG SEQRES 9 D 146 LEU LEU GLY ASN VAL LEU VAL CYS VAL LEU ALA HIS HIS SEQRES 10 D 146 PHE GLY LYS GLU PHE THR PRO PRO VAL GLN ALA ALA TYR SEQRES 11 D 146 GLN LYS VAL VAL ALA GLY VAL ALA ASN ALA LEU ALA HIS SEQRES 12 D 146 LYS TYR HIS HET HEM A 142 43 PROTOPORPHYRIN IX CONTAINS FE(II) HET HEM B 147 43 PROTOPORPHYRIN IX CONTAINS FE(II) HET HEM C 142 43 PROTOPORPHYRIN IX CONTAINS FE(II) HET HEM D 147 43 PROTOPORPHYRIN IX CONTAINS FE(II) HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 5 HEM 4(C34 H32 N4 O4 FE1) FORMUL 6 HOH *216(H2 O1) HELIX 1 1 PRO A 4 GLY A 18 1 15 HELIX 2 2 HIS A 20 SER A 35 1 16 HELIX 3 3 PRO A 37 TYR A 42 5 6 HELIX 4 4 ALA A 53 ALA A 71 1 19 HELIX 5 5 VAL A 73 ALA A 79 5 7 HELIX 6 6 SER A 81 HIS A 89 1 9 HELIX 7 7 PRO A 95 HIS A 112 5 18 HELIX 8 8 PRO A 119 LEU A 136 1 18 HELIX 9 9 PRO B 5 LYS B 17 1 13 HELIX 10 10 VAL B 20 VAL B 34 1 15 HELIX 11 11 PRO B 36 PHE B 41 5 6 HELIX 12 12 GLU B 43 PHE B 45 5 3 HELIX 13 13 PRO B 51 MET B 55 1 5 HELIX 14 14 PRO B 58 HIS B 77 1 20 HELIX 15 15 LEU B 81 ASP B 94 1 14 HELIX 16 16 PRO B 100 GLU B 121 5 22 HELIX 17 17 PRO B 124 ALA B 142 1 19 HELIX 18 18 PRO C 4 GLY C 18 1 15 HELIX 19 19 HIS C 20 SER C 35 1 16 HELIX 20 20 PRO C 37 TYR C 42 5 6 HELIX 21 21 ALA C 53 ALA C 71 1 19 HELIX 22 22 VAL C 73 ALA C 79 5 7 HELIX 23 23 SER C 81 HIS C 89 1 9 HELIX 24 24 PRO C 95 HIS C 112 5 18 HELIX 25 25 PRO C 119 LEU C 136 1 18 HELIX 26 26 PRO D 5 LYS D 17 1 13 HELIX 27 27 VAL D 20 VAL D 34 1 15 HELIX 28 28 PRO D 36 PHE D 41 5 6 HELIX 29 29 GLU D 43 PHE D 45 5 3 HELIX 30 30 PRO D 51 MET D 55 1 5 HELIX 31 31 PRO D 58 HIS D 77 1 20 HELIX 32 32 LEU D 81 THR D 84 1 4 HELIX 33 33 ALA D 86 ASP D 94 1 9 HELIX 34 34 PRO D 100 GLU D 121 5 22 HELIX 35 35 PRO D 124 ALA D 142 1 19 LINK FE HEM A 142 NE2 HIS A 87 LINK FE HEM B 147 NE2 HIS B 92 LINK FE HEM C 142 NE2 HIS C 87 LINK FE HEM D 147 NE2 HIS D 92 CRYST1 84.100 112.000 63.800 90.00 90.00 90.00 P 21 21 21 8 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 0.011891 0.000000 0.000000 0.00000 SCALE2 0.000000 0.008929 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015674 0.00000 MTRIX1 1 0.950670 -0.050560 0.306050 5.59928 1 MTRIX2 1 -0.051200 -0.998670 -0.005940 90.78605 1 MTRIX3 1 0.305940 -0.010020 -0.952000 -20.34795 1 ATOM 1 N VAL A 1 101.601 38.534 -1.962 1.00 53.29 N ATOM 2 CA VAL A 1 103.062 38.513 -2.159 1.00 47.99 C ATOM 3 C VAL A 1 103.354 38.323 -3.656 1.00 43.68 C ATOM 4 O VAL A 1 103.025 37.252 -4.204 1.00 48.40 O ATOM 5 CB VAL A 1 103.800 37.438 -1.355 1.00 50.88 C ATOM 6 CG1 VAL A 1 105.274 37.822 -1.182 1.00 46.89 C ATOM 7 CG2 VAL A 1 103.166 37.064 -0.034 1.00 61.95 C ATOM 8 N LEU A 2 103.962 39.357 -4.220 1.00 40.40 N ATOM 9 CA LEU A 2 104.276 39.328 -5.665 1.00 35.83 C ATOM 10 C LEU A 2 105.482 38.451 -5.963 1.00 34.34 C ATOM 11 O LEU A 2 106.575 38.644 -5.401 1.00 38.15 O ATOM 12 CB LEU A 2 104.396 40.769 -6.186 1.00 19.71 C ATOM 13 CG LEU A 2 103.175 41.676 -6.005 1.00 16.01 C ATOM 14 CD1 LEU A 2 103.509 43.080 -6.464 1.00 25.30 C ATOM 15 CD2 LEU A 2 102.047 41.113 -6.821 1.00 13.69 C ATOM 16 N SER A 3 105.266 37.509 -6.865 1.00 31.97 N ATOM 17 CA SER A 3 106.352 36.623 -7.340 1.00 30.41 C ATOM 18 C SER A 3 107.080 37.420 -8.435 1.00 26.78 C ATOM 19 O SER A 3 106.614 38.503 -8.834 1.00 24.74 O ATOM 20 CB SER A 3 105.771 35.342 -7.924 1.00 23.42 C ATOM 21 OG SER A 3 105.196 35.560 -9.200 1.00 29.37 O ATOM 22 N PRO A 4 108.184 36.877 -8.906 1.00 31.20 N ATOM 23 CA PRO A 4 108.948 37.538 -9.988 1.00 30.32 C ATOM 24 C PRO A 4 108.074 37.555 -11.237 1.00 24.90 C ATOM 25 O PRO A 4 108.100 38.524 -12.012 1.00 27.90 O ATOM 26 CB PRO A 4 110.212 36.725 -10.137 1.00 25.32 C ATOM 27 CG PRO A 4 110.294 35.893 -8.888 1.00 26.24 C ATOM 28 CD PRO A 4 108.834 35.609 -8.528 1.00 29.17 C ATOM 29 N ALA A 5 107.329 36.483 -11.413 1.00 24.93 N ATOM 30 CA ALA A 5 106.425 36.368 -12.576 1.00 23.59 C ATOM 31 C ALA A 5 105.420 37.510 -12.557 1.00 21.53 C ATOM 32 O ALA A 5 105.142 38.162 -13.577 1.00 23.08 O ATOM 33 CB ALA A 5 105.723 35.026 -12.581 1.00 28.44 C ATOM 34 N ASP A 6 104.888 37.750 -11.369 1.00 19.17 N ATOM 35 CA ASP A 6 103.891 38.830 -11.233 1.00 15.11 C ATOM 36 C ASP A 6 104.510 40.160 -11.623 1.00 18.75 C ATOM 37 O ASP A 6 103.845 40.937 -12.335 1.00 15.78 O ATOM 38 CB ASP A 6 103.361 38.949 -9.794 1.00 17.29 C ATOM 39 CG ASP A 6 102.441 37.781 -9.446 1.00 30.76 C ATOM 40 OD1 ASP A 6 101.765 37.289 -10.364 1.00 14.93 O ATOM 41 OD2 ASP A 6 102.450 37.382 -8.247 1.00 29.40 O ATOM 42 N LYS A 7 105.690 40.346 -11.016 1.00 19.52 N ATOM 43 CA LYS A 7 106.336 41.686 -11.244 1.00 21.93 C ATOM 44 C LYS A 7 106.561 41.901 -12.727 1.00 21.10 C ATOM 45 O LYS A 7 106.327 43.032 -13.214 1.00 24.85 O ATOM 46 CB LYS A 7 107.553 41.913 -10.402 1.00 24.26 C ATOM 47 CG LYS A 7 107.550 41.181 -9.058 1.00 33.89 C ATOM 48 CD LYS A 7 108.522 41.766 -8.051 1.00 35.19 C ATOM 49 CE LYS A 7 109.455 40.737 -7.453 1.00 58.09 C ATOM 50 NZ LYS A 7 110.799 40.722 -8.120 1.00 55.93 N ATOM 51 N THR A 8 106.979 40.859 -13.401 1.00 19.73 N ATOM 52 CA THR A 8 107.196 40.777 -14.860 1.00 21.18 C ATOM 53 C THR A 8 105.925 41.136 -15.620 1.00 21.07 C ATOM 54 O THR A 8 105.925 42.020 -16.497 1.00 14.72 O ATOM 55 CB THR A 8 107.716 39.338 -15.255 1.00 27.46 C ATOM 56 OG1 THR A 8 109.116 39.311 -14.823 1.00 40.52 O ATOM 57 CG2 THR A 8 107.609 38.955 -16.729 1.00 37.85 C ATOM 58 N ASN A 9 104.832 40.476 -15.252 1.00 19.62 N ATOM 59 CA ASN A 9 103.510 40.733 -15.845 1.00 12.41 C ATOM 60 C ASN A 9 103.116 42.188 -15.737 1.00 14.06 C ATOM 61 O ASN A 9 102.704 42.813 -16.721 1.00 15.14 O ATOM 62 CB ASN A 9 102.490 39.780 -15.164 1.00 17.58 C ATOM 63 CG ASN A 9 102.731 38.357 -15.633 1.00 21.80 C ATOM 64 OD1 ASN A 9 103.476 38.175 -16.621 1.00 33.83 O ATOM 65 ND2 ASN A 9 102.187 37.334 -14.989 1.00 21.07 N ATOM 66 N VAL A 10 103.233 42.743 -14.530 1.00 17.64 N ATOM 67 CA VAL A 10 102.823 44.125 -14.278 1.00 16.58 C ATOM 68 C VAL A 10 103.607 45.151 -15.079 1.00 18.75 C ATOM 69 O VAL A 10 103.033 46.151 -15.562 1.00 21.92 O ATOM 70 CB VAL A 10 102.840 44.449 -12.759 1.00 19.91 C ATOM 71 CG1 VAL A 10 102.743 45.936 -12.488 1.00 11.89 C ATOM 72 CG2 VAL A 10 101.747 43.721 -11.985 1.00 22.85 C ATOM 73 N LYS A 11 104.911 44.960 -15.070 1.00 20.43 N ATOM 74 CA LYS A 11 105.826 45.911 -15.752 1.00 18.52 C ATOM 75 C LYS A 11 105.431 45.955 -17.212 1.00 21.15 C ATOM 76 O LYS A 11 105.292 47.025 -17.835 1.00 26.07 O ATOM 77 CB LYS A 11 107.267 45.498 -15.505 1.00 19.41 C ATOM 78 CG LYS A 11 107.698 45.737 -14.049 1.00 30.54 C ATOM 79 CD LYS A 11 109.199 45.620 -13.834 1.00 38.19 C ATOM 80 CE LYS A 11 109.671 46.019 -12.456 1.00 49.41 C ATOM 81 NZ LYS A 11 109.867 47.487 -12.287 1.00 47.79 N ATOM 82 N ALA A 12 105.178 44.781 -17.741 1.00 20.88 N ATOM 83 CA ALA A 12 104.767 44.542 -19.123 1.00 20.37 C ATOM 84 C ALA A 12 103.458 45.190 -19.505 1.00 25.38 C ATOM 85 O ALA A 12 103.331 45.865 -20.553 1.00 25.85 O ATOM 86 CB ALA A 12 104.706 43.020 -19.335 1.00 20.77 C ATOM 87 N ALA A 13 102.438 45.002 -18.672 1.00 22.58 N ATOM 88 CA ALA A 13 101.118 45.541 -19.003 1.00 19.92 C ATOM 89 C ALA A 13 101.102 47.043 -18.843 1.00 20.58 C ATOM 90 O ALA A 13 100.376 47.733 -19.579 1.00 24.53 O ATOM 91 CB ALA A 13 100.052 44.897 -18.139 1.00 21.93 C ATOM 92 N TRP A 14 101.848 47.488 -17.853 1.00 19.04 N ATOM 93 CA TRP A 14 101.806 48.941 -17.540 1.00 24.13 C ATOM 94 C TRP A 14 102.581 49.763 -18.570 1.00 23.89 C ATOM 95 O TRP A 14 102.431 50.986 -18.756 1.00 22.44 O ATOM 96 CB TRP A 14 102.277 49.143 -16.076 1.00 32.47 C ATOM 97 CG TRP A 14 101.853 50.506 -15.618 1.00 30.47 C ATOM 98 CD1 TRP A 14 102.586 51.656 -15.539 1.00 22.41 C ATOM 99 CD2 TRP A 14 100.494 50.855 -15.272 1.00 28.07 C ATOM 100 NE1 TRP A 14 101.777 52.679 -15.106 1.00 21.28 N ATOM 101 CE2 TRP A 14 100.499 52.229 -14.955 1.00 24.35 C ATOM 102 CE3 TRP A 14 99.316 50.118 -15.197 1.00 30.58 C ATOM 103 CZ2 TRP A 14 99.336 52.908 -14.586 1.00 23.81 C ATOM 104 CZ3 TRP A 14 98.180 50.775 -14.814 1.00 21.82 C ATOM 105 CH2 TRP A 14 98.193 52.147 -14.514 1.00 27.21 C ATOM 106 N GLY A 15 103.459 49.022 -19.203 1.00 24.88 N ATOM 107 CA GLY A 15 104.329 49.426 -20.272 1.00 32.32 C ATOM 108 C GLY A 15 103.511 49.855 -21.501 1.00 39.10 C ATOM 109 O GLY A 15 103.824 50.932 -22.049 1.00 40.42 O ATOM 110 N LYS A 16 102.551 49.031 -21.890 1.00 40.78 N ATOM 111 CA LYS A 16 101.645 49.212 -23.026 1.00 38.40 C ATOM 112 C LYS A 16 100.637 50.329 -22.750 1.00 40.24 C ATOM 113 O LYS A 16 100.135 50.957 -23.706 1.00 47.41 O ATOM 114 CB LYS A 16 100.911 47.974 -23.482 1.00 39.31 C ATOM 115 CG LYS A 16 101.638 46.647 -23.393 1.00 54.02 C ATOM 116 CD LYS A 16 102.929 46.601 -24.192 1.00 71.50 C ATOM 117 CE LYS A 16 102.715 46.306 -25.657 1.00 81.94 C ATOM 118 NZ LYS A 16 101.934 47.383 -26.326 1.00 87.13 N ATOM 119 N VAL A 17 100.392 50.541 -21.468 1.00 36.60 N ATOM 120 CA VAL A 17 99.483 51.612 -21.016 1.00 39.96 C ATOM 121 C VAL A 17 100.143 52.944 -21.443 1.00 38.03 C ATOM 122 O VAL A 17 99.595 53.864 -22.041 1.00 39.30 O ATOM 123 CB VAL A 17 99.263 51.512 -19.490 1.00 30.14 C ATOM 124 CG1 VAL A 17 98.459 52.693 -18.960 1.00 24.99 C ATOM 125 CG2 VAL A 17 98.615 50.183 -19.125 1.00 21.56 C ATOM 126 N GLY A 18 101.407 52.958 -21.076 1.00 34.68 N ATOM 127 CA GLY A 18 102.322 54.023 -21.279 1.00 35.04 C ATOM 128 C GLY A 18 101.733 55.397 -21.013 1.00 37.27 C ATOM 129 O GLY A 18 101.323 55.829 -19.931 1.00 39.21 O ATOM 130 N ALA A 19 101.789 56.111 -22.122 1.00 36.09 N ATOM 131 CA ALA A 19 101.383 57.501 -22.221 1.00 34.21 C ATOM 132 C ALA A 19 99.907 57.730 -21.938 1.00 34.24 C ATOM 133 O ALA A 19 99.511 58.886 -21.647 1.00 30.51 O ATOM 134 CB ALA A 19 101.780 57.905 -23.646 1.00 43.84 C ATOM 135 N HIS A 20 99.124 56.669 -22.048 1.00 29.07 N ATOM 136 CA HIS A 20 97.687 56.672 -21.842 1.00 27.27 C ATOM 137 C HIS A 20 97.268 56.506 -20.387 1.00 27.71 C ATOM 138 O HIS A 20 96.056 56.510 -20.147 1.00 26.50 O ATOM 139 CB HIS A 20 97.008 55.489 -22.621 1.00 23.27 C ATOM 140 CG HIS A 20 97.019 55.857 -24.077 1.00 30.95 C ATOM 141 ND1 HIS A 20 97.820 55.254 -25.014 1.00 39.72 N ATOM 142 CD2 HIS A 20 96.322 56.838 -24.699 1.00 36.17 C ATOM 143 CE1 HIS A 20 97.590 55.853 -26.178 1.00 49.05 C ATOM 144 NE2 HIS A 20 96.690 56.815 -26.015 1.00 48.30 N ATOM 145 N ALA A 21 98.231 56.338 -19.504 1.00 25.94 N ATOM 146 CA ALA A 21 97.984 56.116 -18.093 1.00 25.35 C ATOM 147 C ALA A 21 96.905 56.996 -17.501 1.00 25.14 C ATOM 148 O ALA A 21 95.915 56.460 -16.938 1.00 31.10 O ATOM 149 CB ALA A 21 99.288 56.241 -17.308 1.00 28.33 C ATOM 150 N GLY A 22 97.072 58.290 -17.547 1.00 19.31 N ATOM 151 CA GLY A 22 96.206 59.329 -17.013 1.00 21.87 C ATOM 152 C GLY A 22 94.774 59.291 -17.527 1.00 25.24 C ATOM 153 O GLY A 22 93.817 59.630 -16.797 1.00 23.18 O ATOM 154 N GLU A 23 94.614 58.899 -18.776 1.00 24.93 N ATOM 155 CA GLU A 23 93.304 58.738 -19.453 1.00 22.91 C ATOM 156 C GLU A 23 92.545 57.543 -18.867 1.00 13.41 C ATOM 157 O GLU A 23 91.357 57.669 -18.586 1.00 14.48 O ATOM 158 CB GLU A 23 93.513 58.462 -20.905 1.00 26.27 C ATOM 159 CG GLU A 23 92.451 58.548 -21.977 1.00 59.49 C ATOM 160 CD GLU A 23 92.985 57.819 -23.212 1.00 84.25 C ATOM 161 OE1 GLU A 23 93.959 58.457 -23.679 1.00 91.54 O ATOM 162 OE2 GLU A 23 92.550 56.748 -23.580 1.00 92.16 O ATOM 163 N TYR A 24 93.251 56.456 -18.682 1.00 16.54 N ATOM 164 CA TYR A 24 92.735 55.218 -18.085 1.00 19.66 C ATOM 165 C TYR A 24 92.343 55.483 -16.626 1.00 17.97 C ATOM 166 O TYR A 24 91.316 55.007 -16.144 1.00 18.24 O ATOM 167 CB TYR A 24 93.782 54.100 -18.170 1.00 11.23 C ATOM 168 CG TYR A 24 94.035 53.642 -19.581 1.00 14.45 C ATOM 169 CD1 TYR A 24 93.403 54.247 -20.671 1.00 13.25 C ATOM 170 CD2 TYR A 24 94.951 52.625 -19.853 1.00 20.93 C ATOM 171 CE1 TYR A 24 93.634 53.853 -21.989 1.00 25.01 C ATOM 172 CE2 TYR A 24 95.205 52.227 -21.174 1.00 22.20 C ATOM 173 CZ TYR A 24 94.541 52.828 -22.241 1.00 18.43 C ATOM 174 OH TYR A 24 94.755 52.474 -23.535 1.00 25.93 O ATOM 175 N GLY A 25 93.214 56.256 -15.997 1.00 16.44 N ATOM 176 CA GLY A 25 93.027 56.701 -14.614 1.00 13.74 C ATOM 177 C GLY A 25 91.656 57.362 -14.459 1.00 16.03 C ATOM 178 O GLY A 25 90.825 56.955 -13.622 1.00 17.60 O ATOM 179 N ALA A 26 91.446 58.404 -15.263 1.00 12.41 N ATOM 180 CA ALA A 26 90.178 59.133 -15.244 1.00 11.56 C ATOM 181 C ALA A 26 89.034 58.220 -15.681 1.00 17.04 C ATOM 182 O ALA A 26 87.903 58.393 -15.171 1.00 23.93 O ATOM 183 CB ALA A 26 90.253 60.374 -16.097 1.00 14.59 C ATOM 184 N GLU A 27 89.268 57.281 -16.594 1.00 17.19 N ATOM 185 CA GLU A 27 88.222 56.379 -17.060 1.00 15.81 C ATOM 186 C GLU A 27 87.731 55.487 -15.887 1.00 13.29 C ATOM 187 O GLU A 27 86.515 55.329 -15.706 1.00 12.93 O ATOM 188 CB GLU A 27 88.620 55.386 -18.154 1.00 22.46 C ATOM 189 CG GLU A 27 87.501 54.548 -18.774 1.00 12.82 C ATOM 190 CD GLU A 27 87.794 53.623 -19.893 1.00 20.69 C ATOM 191 OE1 GLU A 27 88.588 54.065 -20.758 1.00 23.18 O ATOM 192 OE2 GLU A 27 87.350 52.500 -20.040 1.00 19.95 O ATOM 193 N ALA A 28 88.698 54.937 -15.216 1.00 10.75 N ATOM 194 CA ALA A 28 88.516 54.087 -14.036 1.00 12.03 C ATOM 195 C ALA A 28 87.720 54.821 -12.951 1.00 10.70 C ATOM 196 O ALA A 28 86.832 54.172 -12.389 1.00 13.81 O ATOM 197 CB ALA A 28 89.883 53.661 -13.487 1.00 8.07 C ATOM 198 N LEU A 29 87.990 56.052 -12.635 1.00 9.16 N ATOM 199 CA LEU A 29 87.318 56.852 -11.636 1.00 10.79 C ATOM 200 C LEU A 29 85.844 57.016 -12.017 1.00 15.66 C ATOM 201 O LEU A 29 84.934 56.890 -11.219 1.00 16.15 O ATOM 202 CB LEU A 29 88.022 58.209 -11.526 1.00 7.70 C ATOM 203 CG LEU A 29 89.318 58.267 -10.727 1.00 19.69 C ATOM 204 CD1 LEU A 29 89.842 59.678 -10.792 1.00 16.53 C ATOM 205 CD2 LEU A 29 89.078 57.861 -9.275 1.00 14.22 C ATOM 206 N GLU A 30 85.652 57.301 -13.304 1.00 17.92 N ATOM 207 CA GLU A 30 84.293 57.463 -13.840 1.00 17.23 C ATOM 208 C GLU A 30 83.478 56.190 -13.725 1.00 12.00 C ATOM 209 O GLU A 30 82.311 56.216 -13.270 1.00 15.65 O ATOM 210 CB GLU A 30 84.358 57.904 -15.309 1.00 27.72 C ATOM 211 CG GLU A 30 83.026 57.791 -16.051 1.00 47.09 C ATOM 212 CD GLU A 30 82.925 58.761 -17.199 1.00 56.29 C ATOM 213 OE1 GLU A 30 83.889 58.980 -17.909 1.00 58.35 O ATOM 214 OE2 GLU A 30 81.774 59.241 -17.239 1.00 68.34 O ATOM 215 N ARG A 31 84.066 55.065 -14.107 1.00 8.05 N ATOM 216 CA ARG A 31 83.418 53.754 -14.000 1.00 9.85 C ATOM 217 C ARG A 31 83.057 53.512 -12.522 1.00 12.06 C ATOM 218 O ARG A 31 81.953 53.052 -12.238 1.00 13.68 O ATOM 219 CB ARG A 31 84.329 52.649 -14.511 1.00 7.75 C ATOM 220 CG ARG A 31 84.517 52.634 -16.020 1.00 8.46 C ATOM 221 CD ARG A 31 85.451 51.591 -16.464 1.00 11.53 C ATOM 222 NE ARG A 31 85.577 51.574 -17.928 1.00 12.41 N ATOM 223 CZ ARG A 31 84.682 51.044 -18.752 1.00 20.30 C ATOM 224 NH1 ARG A 31 83.587 50.458 -18.290 1.00 7.45 N ATOM 225 NH2 ARG A 31 84.909 51.088 -20.077 1.00 19.06 N ATOM 226 N MET A 32 83.962 53.840 -11.615 1.00 11.87 N ATOM 227 CA MET A 32 83.768 53.697 -10.163 1.00 12.53 C ATOM 228 C MET A 32 82.569 54.526 -9.694 1.00 9.94 C ATOM 229 O MET A 32 81.658 54.022 -9.028 1.00 11.16 O ATOM 230 CB MET A 32 84.994 54.064 -9.349 1.00 6.63 C ATOM 231 CG MET A 32 84.818 53.766 -7.881 1.00 11.00 C ATOM 232 SD MET A 32 86.305 54.160 -6.932 1.00 13.90 S ATOM 233 CE MET A 32 86.458 55.903 -7.022 1.00 12.95 C ATOM 234 N PHE A 33 82.575 55.787 -10.018 1.00 12.03 N ATOM 235 CA PHE A 33 81.514 56.697 -9.544 1.00 13.40 C ATOM 236 C PHE A 33 80.149 56.260 -10.028 1.00 13.96 C ATOM 237 O PHE A 33 79.096 56.515 -9.372 1.00 16.29 O ATOM 238 CB PHE A 33 81.794 58.153 -9.937 1.00 13.63 C ATOM 239 CG PHE A 33 83.034 58.818 -9.407 1.00 17.74 C ATOM 240 CD1 PHE A 33 83.373 58.735 -8.055 1.00 14.26 C ATOM 241 CD2 PHE A 33 83.822 59.590 -10.232 1.00 14.14 C ATOM 242 CE1 PHE A 33 84.459 59.397 -7.536 1.00 10.76 C ATOM 243 CE2 PHE A 33 84.973 60.215 -9.760 1.00 15.14 C ATOM 244 CZ PHE A 33 85.269 60.132 -8.391 1.00 24.44 C ATOM 245 N LEU A 34 80.152 55.692 -11.219 1.00 12.30 N ATOM 246 CA LEU A 34 78.848 55.283 -11.796 1.00 10.42 C ATOM 247 C LEU A 34 78.387 53.931 -11.259 1.00 11.57 C ATOM 248 O LEU A 34 77.212 53.700 -11.021 1.00 14.74 O ATOM 249 CB LEU A 34 78.994 55.276 -13.307 1.00 13.83 C ATOM 250 CG LEU A 34 78.969 56.498 -14.143 1.00 17.76 C ATOM 251 CD1 LEU A 34 78.867 56.119 -15.649 1.00 12.51 C ATOM 252 CD2 LEU A 34 77.750 57.325 -13.728 1.00 20.16 C ATOM 253 N SER A 35 79.315 53.022 -11.099 1.00 11.70 N ATOM 254 CA SER A 35 79.061 51.670 -10.662 1.00 9.85 C ATOM 255 C SER A 35 78.852 51.595 -9.156 1.00 11.51 C ATOM 256 O SER A 35 78.077 50.734 -8.750 1.00 10.07 O ATOM 257 CB SER A 35 80.248 50.808 -11.076 1.00 17.08 C ATOM 258 OG SER A 35 80.218 50.425 -12.419 1.00 17.38 O ATOM 259 N PHE A 36 79.572 52.372 -8.388 1.00 5.36 N ATOM 260 CA PHE A 36 79.542 52.295 -6.908 1.00 6.56 C ATOM 261 C PHE A 36 79.406 53.712 -6.385 1.00 12.30 C ATOM 262 O PHE A 36 80.454 54.311 -6.026 1.00 13.04 O ATOM 263 CB PHE A 36 80.930 51.728 -6.443 1.00 2.00 C ATOM 264 CG PHE A 36 81.223 50.407 -7.099 1.00 5.65 C ATOM 265 CD1 PHE A 36 80.451 49.279 -6.809 1.00 12.57 C ATOM 266 CD2 PHE A 36 82.251 50.260 -8.020 1.00 4.25 C ATOM 267 CE1 PHE A 36 80.677 48.058 -7.482 1.00 12.48 C ATOM 268 CE2 PHE A 36 82.527 49.092 -8.672 1.00 8.93 C ATOM 269 CZ PHE A 36 81.729 47.988 -8.407 1.00 8.99 C ATOM 270 N PRO A 37 78.189 54.234 -6.432 1.00 12.70 N ATOM 271 CA PRO A 37 77.869 55.600 -6.051 1.00 17.18 C ATOM 272 C PRO A 37 78.334 56.054 -4.687 1.00 14.51 C ATOM 273 O PRO A 37 78.497 57.273 -4.481 1.00 13.18 O ATOM 274 CB PRO A 37 76.311 55.667 -6.056 1.00 14.64 C ATOM 275 CG PRO A 37 75.936 54.608 -7.007 1.00 20.15 C ATOM 276 CD PRO A 37 76.997 53.511 -6.894 1.00 19.23 C ATOM 277 N THR A 38 78.500 55.104 -3.765 1.00 15.12 N ATOM 278 CA THR A 38 78.921 55.474 -2.399 1.00 12.43 C ATOM 279 C THR A 38 80.294 56.100 -2.366 1.00 13.37 C ATOM 280 O THR A 38 80.664 56.896 -1.494 1.00 13.60 O ATOM 281 CB THR A 38 78.767 54.243 -1.436 1.00 10.35 C ATOM 282 OG1 THR A 38 79.652 53.217 -1.929 1.00 14.68 O ATOM 283 CG2 THR A 38 77.300 53.780 -1.310 1.00 16.57 C ATOM 284 N THR A 39 81.102 55.749 -3.362 1.00 13.49 N ATOM 285 CA THR A 39 82.456 56.293 -3.462 1.00 13.77 C ATOM 286 C THR A 39 82.410 57.793 -3.717 1.00 13.83 C ATOM 287 O THR A 39 83.422 58.486 -3.498 1.00 17.12 O ATOM 288 CB THR A 39 83.219 55.505 -4.605 1.00 15.49 C ATOM 289 OG1 THR A 39 82.431 55.759 -5.800 1.00 10.43 O ATOM 290 CG2 THR A 39 83.286 54.001 -4.311 1.00 12.94 C ATOM 291 N LYS A 40 81.302 58.303 -4.231 1.00 16.51 N ATOM 292 CA LYS A 40 81.196 59.745 -4.527 1.00 16.20 C ATOM 293 C LYS A 40 81.135 60.510 -3.198 1.00 11.29 C ATOM 294 O LYS A 40 81.268 61.746 -3.206 1.00 17.38 O ATOM 295 CB LYS A 40 79.976 60.148 -5.339 1.00 7.11 C ATOM 296 CG LYS A 40 79.744 59.484 -6.680 1.00 10.62 C ATOM 297 CD LYS A 40 78.529 60.061 -7.414 1.00 10.87 C ATOM 298 CE LYS A 40 77.231 59.404 -7.014 1.00 15.16 C ATOM 299 NZ LYS A 40 76.084 60.005 -7.710 1.00 20.45 N ATOM 300 N THR A 41 80.931 59.786 -2.119 1.00 10.03 N ATOM 301 CA THR A 41 80.839 60.495 -0.815 1.00 8.59 C ATOM 302 C THR A 41 82.172 61.114 -0.450 1.00 13.14 C ATOM 303 O THR A 41 82.207 61.995 0.419 1.00 12.59 O ATOM 304 CB THR A 41 80.274 59.627 0.355 1.00 19.63 C ATOM 305 OG1 THR A 41 81.275 58.607 0.708 1.00 14.60 O ATOM 306 CG2 THR A 41 78.901 58.965 0.105 1.00 17.12 C ATOM 307 N TYR A 42 83.240 60.674 -1.087 1.00 12.92 N ATOM 308 CA TYR A 42 84.589 61.146 -0.840 1.00 15.17 C ATOM 309 C TYR A 42 84.991 62.326 -1.730 1.00 18.52 C ATOM 310 O TYR A 42 86.067 62.890 -1.487 1.00 14.76 O ATOM 311 CB TYR A 42 85.659 60.028 -0.955 1.00 11.79 C ATOM 312 CG TYR A 42 85.434 58.924 0.066 1.00 15.86 C ATOM 313 CD1 TYR A 42 85.880 59.110 1.378 1.00 18.52 C ATOM 314 CD2 TYR A 42 84.781 57.732 -0.269 1.00 10.83 C ATOM 315 CE1 TYR A 42 85.663 58.137 2.353 1.00 14.55 C ATOM 316 CE2 TYR A 42 84.564 56.753 0.692 1.00 11.10 C ATOM 317 CZ TYR A 42 85.009 56.962 1.996 1.00 14.11 C ATOM 318 OH TYR A 42 84.781 55.994 2.925 1.00 14.37 O ATOM 319 N PHE A 43 84.136 62.698 -2.665 1.00 18.36 N ATOM 320 CA PHE A 43 84.475 63.811 -3.582 1.00 19.94 C ATOM 321 C PHE A 43 83.295 64.761 -3.674 1.00 18.93 C ATOM 322 O PHE A 43 82.823 65.037 -4.790 1.00 24.39 O ATOM 323 CB PHE A 43 84.883 63.271 -4.959 1.00 13.89 C ATOM 324 CG PHE A 43 86.060 62.340 -5.011 1.00 15.52 C ATOM 325 CD1 PHE A 43 85.879 60.982 -4.771 1.00 14.90 C ATOM 326 CD2 PHE A 43 87.347 62.798 -5.320 1.00 5.57 C ATOM 327 CE1 PHE A 43 86.931 60.069 -4.862 1.00 13.31 C ATOM 328 CE2 PHE A 43 88.410 61.920 -5.366 1.00 12.74 C ATOM 329 CZ PHE A 43 88.201 60.554 -5.159 1.00 10.98 C ATOM 330 N PRO A 44 82.824 65.225 -2.544 1.00 21.65 N ATOM 331 CA PRO A 44 81.683 66.165 -2.549 1.00 25.46 C ATOM 332 C PRO A 44 82.103 67.495 -3.159 1.00 30.36 C ATOM 333 O PRO A 44 81.288 68.288 -3.666 1.00 35.59 O ATOM 334 CB PRO A 44 81.313 66.272 -1.064 1.00 21.86 C ATOM 335 CG PRO A 44 82.613 66.059 -0.366 1.00 24.55 C ATOM 336 CD PRO A 44 83.350 64.994 -1.196 1.00 24.41 C ATOM 337 N HIS A 45 83.404 67.759 -3.132 1.00 29.47 N ATOM 338 CA HIS A 45 83.970 69.017 -3.629 1.00 27.59 C ATOM 339 C HIS A 45 84.361 68.979 -5.098 1.00 30.55 C ATOM 340 O HIS A 45 85.023 69.898 -5.612 1.00 28.06 O ATOM 341 CB HIS A 45 85.212 69.406 -2.786 1.00 27.22 C ATOM 342 CG HIS A 45 86.265 68.339 -2.780 1.00 29.75 C ATOM 343 ND1 HIS A 45 86.037 67.017 -2.463 1.00 23.76 N ATOM 344 CD2 HIS A 45 87.596 68.457 -3.039 1.00 24.83 C ATOM 345 CE1 HIS A 45 87.177 66.360 -2.567 1.00 31.05 C ATOM 346 NE2 HIS A 45 88.140 67.198 -2.913 1.00 28.90 N ATOM 347 N PHE A 46 83.974 67.925 -5.780 1.00 27.14 N ATOM 348 CA PHE A 46 84.286 67.666 -7.162 1.00 28.69 C ATOM 349 C PHE A 46 83.061 67.799 -8.066 1.00 30.27 C ATOM 350 O PHE A 46 81.925 67.482 -7.712 1.00 27.67 O ATOM 351 CB PHE A 46 84.877 66.270 -7.415 1.00 15.94 C ATOM 352 CG PHE A 46 86.350 66.089 -7.320 1.00 19.01 C ATOM 353 CD1 PHE A 46 87.128 66.772 -6.391 1.00 29.42 C ATOM 354 CD2 PHE A 46 86.976 65.144 -8.149 1.00 22.54 C ATOM 355 CE1 PHE A 46 88.517 66.554 -6.320 1.00 30.49 C ATOM 356 CE2 PHE A 46 88.344 64.912 -8.092 1.00 24.02 C ATOM 357 CZ PHE A 46 89.120 65.615 -7.160 1.00 22.63 C ATOM 358 N ASP A 47 83.447 68.244 -9.261 1.00 33.35 N ATOM 359 CA ASP A 47 82.445 68.309 -10.378 1.00 34.64 C ATOM 360 C ASP A 47 82.525 66.833 -10.840 1.00 29.54 C ATOM 361 O ASP A 47 83.637 66.502 -11.282 1.00 31.07 O ATOM 362 CB ASP A 47 82.850 69.336 -11.410 1.00 46.01 C ATOM 363 CG ASP A 47 82.151 69.259 -12.752 1.00 49.28 C ATOM 364 OD1 ASP A 47 81.011 68.787 -12.862 1.00 58.46 O ATOM 365 OD2 ASP A 47 82.768 69.685 -13.754 1.00 52.55 O ATOM 366 N LEU A 48 81.505 66.036 -10.609 1.00 30.93 N ATOM 367 CA LEU A 48 81.645 64.612 -10.974 1.00 33.38 C ATOM 368 C LEU A 48 81.056 64.323 -12.334 1.00 37.01 C ATOM 369 O LEU A 48 80.851 63.144 -12.709 1.00 41.85 O ATOM 370 CB LEU A 48 81.130 63.750 -9.818 1.00 24.71 C ATOM 371 CG LEU A 48 81.958 63.607 -8.570 1.00 23.19 C ATOM 372 CD1 LEU A 48 81.368 62.666 -7.532 1.00 22.08 C ATOM 373 CD2 LEU A 48 83.325 63.011 -8.958 1.00 27.79 C ATOM 374 N SER A 49 80.788 65.378 -13.083 1.00 38.92 N ATOM 375 CA SER A 49 80.194 65.159 -14.430 1.00 42.69 C ATOM 376 C SER A 49 81.248 64.627 -15.401 1.00 41.39 C ATOM 377 O SER A 49 82.467 64.758 -15.195 1.00 40.85 O ATOM 378 CB SER A 49 79.475 66.392 -14.922 1.00 45.95 C ATOM 379 OG SER A 49 80.336 67.516 -14.983 1.00 59.23 O ATOM 380 N HIS A 50 80.722 64.000 -16.440 1.00 44.99 N ATOM 381 CA HIS A 50 81.501 63.398 -17.531 1.00 48.13 C ATOM 382 C HIS A 50 82.423 64.490 -18.096 1.00 46.35 C ATOM 383 O HIS A 50 81.951 65.575 -18.423 1.00 42.19 O ATOM 384 CB HIS A 50 80.691 62.759 -18.676 1.00 54.52 C ATOM 385 CG HIS A 50 81.469 62.438 -19.913 1.00 62.57 C ATOM 386 ND1 HIS A 50 82.393 61.433 -20.029 1.00 64.61 N ATOM 387 CD2 HIS A 50 81.442 63.052 -21.132 1.00 73.85 C ATOM 388 CE1 HIS A 50 82.894 61.426 -21.256 1.00 72.13 C ATOM 389 NE2 HIS A 50 82.342 62.401 -21.945 1.00 73.65 N ATOM 390 N GLY A 51 83.679 64.111 -18.122 1.00 51.42 N ATOM 391 CA GLY A 51 84.811 64.888 -18.604 1.00 52.56 C ATOM 392 C GLY A 51 85.221 66.008 -17.680 1.00 52.99 C ATOM 393 O GLY A 51 86.035 66.898 -18.025 1.00 56.85 O ATOM 394 N SER A 52 84.667 65.984 -16.466 1.00 49.38 N ATOM 395 CA SER A 52 85.057 67.062 -15.524 1.00 41.65 C ATOM 396 C SER A 52 86.586 67.104 -15.585 1.00 36.09 C ATOM 397 O SER A 52 87.218 66.041 -15.687 1.00 40.71 O ATOM 398 CB SER A 52 84.538 66.761 -14.140 1.00 36.50 C ATOM 399 OG SER A 52 85.573 66.639 -13.193 1.00 43.51 O ATOM 400 N ALA A 53 87.140 68.280 -15.547 1.00 34.97 N ATOM 401 CA ALA A 53 88.603 68.447 -15.548 1.00 34.15 C ATOM 402 C ALA A 53 89.148 67.938 -14.208 1.00 30.79 C ATOM 403 O ALA A 53 90.274 67.405 -14.127 1.00 30.69 O ATOM 404 CB ALA A 53 88.963 69.907 -15.764 1.00 27.42 C ATOM 405 N GLN A 54 88.318 68.145 -13.180 1.00 30.49 N ATOM 406 CA GLN A 54 88.730 67.700 -11.819 1.00 30.36 C ATOM 407 C GLN A 54 89.003 66.184 -11.806 1.00 24.72 C ATOM 408 O GLN A 54 89.955 65.747 -11.169 1.00 22.92 O ATOM 409 CB GLN A 54 87.726 68.042 -10.736 1.00 22.40 C ATOM 410 CG GLN A 54 88.133 69.235 -9.900 1.00 23.32 C ATOM 411 CD GLN A 54 86.984 69.723 -9.035 1.00 22.50 C ATOM 412 OE1 GLN A 54 85.808 69.761 -9.416 1.00 24.11 O ATOM 413 NE2 GLN A 54 87.379 70.080 -7.820 1.00 24.89 N ATOM 414 N VAL A 55 88.133 65.453 -12.492 1.00 19.85 N ATOM 415 CA VAL A 55 88.233 64.005 -12.579 1.00 18.05 C ATOM 416 C VAL A 55 89.398 63.643 -13.489 1.00 20.30 C ATOM 417 O VAL A 55 90.114 62.666 -13.235 1.00 25.01 O ATOM 418 CB VAL A 55 86.932 63.374 -13.083 1.00 16.67 C ATOM 419 CG1 VAL A 55 87.155 61.915 -13.381 1.00 13.91 C ATOM 420 CG2 VAL A 55 85.787 63.620 -12.120 1.00 15.28 C ATOM 421 N LYS A 56 89.544 64.426 -14.530 1.00 19.85 N ATOM 422 CA LYS A 56 90.656 64.132 -15.475 1.00 19.26 C ATOM 423 C LYS A 56 91.978 64.338 -14.737 1.00 19.95 C ATOM 424 O LYS A 56 92.950 63.589 -14.885 1.00 23.66 O ATOM 425 CB LYS A 56 90.598 65.071 -16.653 1.00 28.75 C ATOM 426 CG LYS A 56 89.403 64.968 -17.574 1.00 52.76 C ATOM 427 CD LYS A 56 89.750 65.308 -19.017 1.00 72.82 C ATOM 428 CE LYS A 56 90.393 66.671 -19.192 1.00 83.61 C ATOM 429 NZ LYS A 56 91.878 66.552 -19.257 1.00 85.24 N ATOM 430 N GLY A 57 91.991 65.419 -13.963 1.00 18.16 N ATOM 431 CA GLY A 57 93.195 65.803 -13.221 1.00 18.43 C ATOM 432 C GLY A 57 93.491 64.794 -12.141 1.00 20.98 C ATOM 433 O GLY A 57 94.598 64.307 -12.018 1.00 20.58 O ATOM 434 N HIS A 58 92.424 64.466 -11.408 1.00 22.00 N ATOM 435 CA HIS A 58 92.601 63.474 -10.334 1.00 21.51 C ATOM 436 C HIS A 58 93.101 62.178 -10.919 1.00 12.55 C ATOM 437 O HIS A 58 94.035 61.566 -10.371 1.00 19.53 O ATOM 438 CB HIS A 58 91.376 63.314 -9.402 1.00 25.02 C ATOM 439 CG HIS A 58 91.657 62.406 -8.225 1.00 23.40 C ATOM 440 ND1 HIS A 58 92.529 62.719 -7.207 1.00 14.94 N ATOM 441 CD2 HIS A 58 91.180 61.163 -7.962 1.00 17.00 C ATOM 442 CE1 HIS A 58 92.571 61.688 -6.378 1.00 20.19 C ATOM 443 NE2 HIS A 58 91.781 60.739 -6.801 1.00 14.21 N ATOM 444 N GLY A 59 92.491 61.725 -12.000 1.00 18.26 N ATOM 445 CA GLY A 59 92.857 60.446 -12.627 1.00 11.10 C ATOM 446 C GLY A 59 94.320 60.423 -13.055 1.00 18.47 C ATOM 447 O GLY A 59 94.983 59.368 -13.145 1.00 20.71 O ATOM 448 N LYS A 60 94.860 61.599 -13.353 1.00 15.74 N ATOM 449 CA LYS A 60 96.290 61.636 -13.788 1.00 19.02 C ATOM 450 C LYS A 60 97.189 61.400 -12.597 1.00 10.28 C ATOM 451 O LYS A 60 98.148 60.614 -12.636 1.00 18.99 O ATOM 452 CB LYS A 60 96.464 62.934 -14.527 1.00 30.15 C ATOM 453 CG LYS A 60 97.759 63.203 -15.265 1.00 53.23 C ATOM 454 CD LYS A 60 97.745 64.648 -15.806 1.00 83.90 C ATOM 455 CE LYS A 60 96.657 64.905 -16.833 1.00 90.19 C ATOM 456 NZ LYS A 60 96.159 66.303 -16.805 1.00 83.05 N ATOM 457 N LYS A 61 96.873 61.999 -11.470 1.00 11.95 N ATOM 458 CA LYS A 61 97.616 61.833 -10.226 1.00 9.93 C ATOM 459 C LYS A 61 97.638 60.375 -9.809 1.00 11.28 C ATOM 460 O LYS A 61 98.662 59.843 -9.370 1.00 16.32 O ATOM 461 CB LYS A 61 96.981 62.634 -9.104 1.00 16.69 C ATOM 462 CG LYS A 61 96.876 64.114 -9.451 1.00 20.89 C ATOM 463 CD LYS A 61 96.138 64.896 -8.379 1.00 35.04 C ATOM 464 CE LYS A 61 96.543 66.342 -8.325 1.00 32.97 C ATOM 465 NZ LYS A 61 95.582 67.142 -7.534 1.00 45.90 N ATOM 466 N VAL A 62 96.473 59.762 -9.863 1.00 15.53 N ATOM 467 CA VAL A 62 96.308 58.343 -9.522 1.00 15.36 C ATOM 468 C VAL A 62 97.157 57.501 -10.489 1.00 19.47 C ATOM 469 O VAL A 62 97.887 56.628 -9.974 1.00 16.43 O ATOM 470 CB VAL A 62 94.841 57.884 -9.431 1.00 12.37 C ATOM 471 CG1 VAL A 62 94.729 56.370 -9.190 1.00 13.03 C ATOM 472 CG2 VAL A 62 94.105 58.617 -8.325 1.00 19.01 C ATOM 473 N ALA A 63 97.134 57.755 -11.792 1.00 16.03 N ATOM 474 CA ALA A 63 97.977 56.926 -12.703 1.00 17.99 C ATOM 475 C ALA A 63 99.463 57.083 -12.435 1.00 16.06 C ATOM 476 O ALA A 63 100.279 56.123 -12.544 1.00 17.17 O ATOM 477 CB ALA A 63 97.576 57.271 -14.136 1.00 23.81 C ATOM 478 N ASP A 64 99.840 58.318 -12.105 1.00 16.28 N ATOM 479 CA ASP A 64 101.246 58.649 -11.802 1.00 18.64 C ATOM 480 C ASP A 64 101.742 57.895 -10.581 1.00 18.16 C ATOM 481 O ASP A 64 102.892 57.430 -10.627 1.00 18.17 O ATOM 482 CB ASP A 64 101.456 60.153 -11.689 1.00 20.93 C ATOM 483 CG ASP A 64 101.524 60.853 -13.043 1.00 26.22 C ATOM 484 OD1 ASP A 64 101.646 60.244 -14.110 1.00 24.71 O ATOM 485 OD2 ASP A 64 101.430 62.098 -12.985 1.00 24.86 O ATOM 486 N ALA A 65 100.905 57.807 -9.552 1.00 14.75 N ATOM 487 CA ALA A 65 101.339 57.057 -8.334 1.00 16.74 C ATOM 488 C ALA A 65 101.554 55.599 -8.660 1.00 14.69 C ATOM 489 O ALA A 65 102.509 54.947 -8.203 1.00 17.97 O ATOM 490 CB ALA A 65 100.369 57.273 -7.208 1.00 12.24 C ATOM 491 N LEU A 66 100.641 55.045 -9.469 1.00 16.91 N ATOM 492 CA LEU A 66 100.711 53.663 -9.918 1.00 11.40 C ATOM 493 C LEU A 66 101.999 53.489 -10.718 1.00 15.30 C ATOM 494 O LEU A 66 102.734 52.531 -10.467 1.00 19.50 O ATOM 495 CB LEU A 66 99.426 53.237 -10.617 1.00 17.02 C ATOM 496 CG LEU A 66 98.164 53.068 -9.764 1.00 21.61 C ATOM 497 CD1 LEU A 66 96.961 52.776 -10.647 1.00 20.58 C ATOM 498 CD2 LEU A 66 98.410 51.948 -8.764 1.00 17.74 C ATOM 499 N THR A 67 102.259 54.413 -11.665 1.00 16.22 N ATOM 500 CA THR A 67 103.535 54.265 -12.447 1.00 13.78 C ATOM 501 C THR A 67 104.717 54.215 -11.495 1.00 15.71 C ATOM 502 O THR A 67 105.647 53.393 -11.530 1.00 19.46 O ATOM 503 CB THR A 67 103.620 55.474 -13.445 1.00 20.31 C ATOM 504 OG1 THR A 67 102.507 55.302 -14.365 1.00 17.93 O ATOM 505 CG2 THR A 67 104.936 55.539 -14.218 1.00 22.48 C ATOM 506 N ASN A 68 104.716 55.161 -10.552 1.00 15.30 N ATOM 507 CA ASN A 68 105.759 55.199 -9.524 1.00 14.29 C ATOM 508 C ASN A 68 105.794 53.846 -8.787 1.00 17.09 C ATOM 509 O ASN A 68 106.894 53.346 -8.499 1.00 16.16 O ATOM 510 CB ASN A 68 105.521 56.390 -8.584 1.00 22.68 C ATOM 511 CG ASN A 68 106.598 56.488 -7.506 1.00 30.58 C ATOM 512 OD1 ASN A 68 107.800 56.517 -7.809 1.00 22.38 O ATOM 513 ND2 ASN A 68 106.212 56.536 -6.241 1.00 29.84 N ATOM 514 N ALA A 69 104.635 53.267 -8.468 1.00 14.28 N ATOM 515 CA ALA A 69 104.585 51.996 -7.752 1.00 15.35 C ATOM 516 C ALA A 69 105.134 50.835 -8.558 1.00 18.01 C ATOM 517 O ALA A 69 105.661 49.879 -7.964 1.00 18.09 O ATOM 518 CB ALA A 69 103.139 51.641 -7.304 1.00 10.92 C ATOM 519 N VAL A 70 104.977 50.849 -9.873 1.00 19.69 N ATOM 520 CA VAL A 70 105.511 49.754 -10.725 1.00 22.19 C ATOM 521 C VAL A 70 107.045 49.865 -10.795 1.00 20.35 C ATOM 522 O VAL A 70 107.757 48.852 -10.716 1.00 18.30 O ATOM 523 CB VAL A 70 104.868 49.772 -12.133 1.00 26.06 C ATOM 524 CG1 VAL A 70 105.522 48.755 -13.069 1.00 15.44 C ATOM 525 CG2 VAL A 70 103.363 49.564 -12.098 1.00 13.71 C ATOM 526 N ALA A 71 107.521 51.103 -10.937 1.00 16.02 N ATOM 527 CA ALA A 71 108.959 51.368 -10.972 1.00 20.11 C ATOM 528 C ALA A 71 109.640 50.872 -9.704 1.00 27.65 C ATOM 529 O ALA A 71 110.754 50.300 -9.786 1.00 38.16 O ATOM 530 CB ALA A 71 109.211 52.843 -11.219 1.00 27.12 C ATOM 531 N HIS A 72 109.035 51.048 -8.549 1.00 25.78 N ATOM 532 CA HIS A 72 109.597 50.594 -7.261 1.00 25.55 C ATOM 533 C HIS A 72 108.862 49.418 -6.670 1.00 22.89 C ATOM 534 O HIS A 72 108.673 49.342 -5.429 1.00 24.55 O ATOM 535 CB HIS A 72 109.508 51.765 -6.189 1.00 29.22 C ATOM 536 CG HIS A 72 110.319 52.907 -6.740 1.00 46.81 C ATOM 537 ND1 HIS A 72 109.801 53.958 -7.452 1.00 50.95 N ATOM 538 CD2 HIS A 72 111.659 53.096 -6.719 1.00 54.81 C ATOM 539 CE1 HIS A 72 110.782 54.774 -7.819 1.00 42.16 C ATOM 540 NE2 HIS A 72 111.916 54.268 -7.394 1.00 54.99 N ATOM 541 N VAL A 73 108.434 48.494 -7.486 1.00 23.99 N ATOM 542 CA VAL A 73 107.657 47.338 -7.052 1.00 25.95 C ATOM 543 C VAL A 73 108.288 46.616 -5.883 1.00 31.27 C ATOM 544 O VAL A 73 107.590 45.974 -5.077 1.00 32.33 O ATOM 545 CB VAL A 73 107.322 46.431 -8.249 1.00 36.88 C ATOM 546 CG1 VAL A 73 108.540 45.762 -8.843 1.00 32.61 C ATOM 547 CG2 VAL A 73 106.263 45.388 -7.885 1.00 35.34 C ATOM 548 N ASP A 74 109.594 46.716 -5.758 1.00 34.31 N ATOM 549 CA ASP A 74 110.328 46.013 -4.693 1.00 35.02 C ATOM 550 C ASP A 74 110.393 46.836 -3.425 1.00 33.83 C ATOM 551 O ASP A 74 110.841 46.297 -2.383 1.00 42.54 O ATOM 552 CB ASP A 74 111.660 45.454 -5.151 1.00 45.76 C ATOM 553 CG ASP A 74 111.509 44.210 -6.022 1.00 50.72 C ATOM 554 OD1 ASP A 74 110.809 43.247 -5.653 1.00 58.02 O ATOM 555 OD2 ASP A 74 112.140 44.274 -7.101 1.00 48.30 O ATOM 556 N ASP A 75 109.941 48.068 -3.503 1.00 27.88 N ATOM 557 CA ASP A 75 109.930 48.867 -2.270 1.00 25.00 C ATOM 558 C ASP A 75 108.802 49.880 -2.264 1.00 25.87 C ATOM 559 O ASP A 75 109.031 51.097 -2.077 1.00 27.66 O ATOM 560 CB ASP A 75 111.309 49.441 -1.957 1.00 53.70 C ATOM 561 CG ASP A 75 111.220 50.111 -0.566 1.00 71.74 C ATOM 562 OD1 ASP A 75 110.598 49.538 0.353 1.00 71.16 O ATOM 563 OD2 ASP A 75 111.726 51.250 -0.565 1.00 76.13 O ATOM 564 N MET A 76 107.580 49.361 -2.439 1.00 24.80 N ATOM 565 CA MET A 76 106.377 50.192 -2.440 1.00 19.17 C ATOM 566 C MET A 76 106.222 50.972 -1.148 1.00 17.90 C ATOM 567 O MET A 76 105.946 52.183 -1.152 1.00 24.27 O ATOM 568 CB MET A 76 105.154 49.342 -2.750 1.00 28.26 C ATOM 569 CG MET A 76 105.297 48.777 -4.142 1.00 36.44 C ATOM 570 SD MET A 76 103.637 48.279 -4.710 1.00 35.69 S ATOM 571 CE MET A 76 103.688 46.505 -4.507 1.00 31.51 C ATOM 572 N PRO A 77 106.407 50.316 -0.018 1.00 23.78 N ATOM 573 CA PRO A 77 106.258 50.984 1.289 1.00 24.27 C ATOM 574 C PRO A 77 106.940 52.325 1.331 1.00 25.60 C ATOM 575 O PRO A 77 106.342 53.379 1.631 1.00 28.14 O ATOM 576 CB PRO A 77 106.800 49.960 2.287 1.00 25.52 C ATOM 577 CG PRO A 77 106.529 48.630 1.631 1.00 26.02 C ATOM 578 CD PRO A 77 106.730 48.888 0.132 1.00 25.14 C ATOM 579 N ASN A 78 108.225 52.316 0.982 1.00 29.28 N ATOM 580 CA ASN A 78 108.992 53.580 1.001 1.00 26.04 C ATOM 581 C ASN A 78 108.599 54.436 -0.179 1.00 24.65 C ATOM 582 O ASN A 78 108.401 55.645 0.016 1.00 26.73 O ATOM 583 CB ASN A 78 110.486 53.331 1.242 1.00 47.69 C ATOM 584 CG ASN A 78 110.768 53.058 2.725 1.00 63.63 C ATOM 585 OD1 ASN A 78 110.644 53.981 3.554 1.00 67.81 O ATOM 586 ND2 ASN A 78 111.095 51.813 3.078 1.00 65.50 N ATOM 587 N ALA A 79 108.464 53.845 -1.358 1.00 20.76 N ATOM 588 CA ALA A 79 108.102 54.660 -2.533 1.00 19.98 C ATOM 589 C ALA A 79 106.767 55.354 -2.382 1.00 23.36 C ATOM 590 O ALA A 79 106.599 56.447 -2.944 1.00 22.32 O ATOM 591 CB ALA A 79 108.183 53.759 -3.760 1.00 20.04 C ATOM 592 N LEU A 80 105.810 54.770 -1.655 1.00 27.16 N ATOM 593 CA LEU A 80 104.467 55.307 -1.466 1.00 23.87 C ATOM 594 C LEU A 80 104.222 55.946 -0.115 1.00 26.83 C ATOM 595 O LEU A 80 103.069 56.383 0.138 1.00 30.86 O ATOM 596 CB LEU A 80 103.474 54.160 -1.741 1.00 19.04 C ATOM 597 CG LEU A 80 103.404 53.590 -3.146 1.00 24.79 C ATOM 598 CD1 LEU A 80 102.229 52.643 -3.268 1.00 18.67 C ATOM 599 CD2 LEU A 80 103.265 54.701 -4.173 1.00 24.27 C ATOM 600 N SER A 81 105.224 56.035 0.728 1.00 24.66 N ATOM 601 CA SER A 81 105.136 56.557 2.088 1.00 21.43 C ATOM 602 C SER A 81 104.343 57.830 2.321 1.00 18.42 C ATOM 603 O SER A 81 103.473 57.876 3.233 1.00 19.54 O ATOM 604 CB SER A 81 106.519 56.646 2.726 1.00 39.61 C ATOM 605 OG SER A 81 106.406 56.638 4.155 1.00 53.25 O ATOM 606 N ALA A 82 104.570 58.895 1.575 1.00 16.60 N ATOM 607 CA ALA A 82 103.818 60.133 1.767 1.00 19.33 C ATOM 608 C ALA A 82 102.346 59.918 1.428 1.00 18.45 C ATOM 609 O ALA A 82 101.481 60.621 1.977 1.00 19.28 O ATOM 610 CB ALA A 82 104.342 61.308 0.958 1.00 21.10 C ATOM 611 N LEU A 83 102.150 59.021 0.457 1.00 22.91 N ATOM 612 CA LEU A 83 100.761 58.768 0.024 1.00 22.21 C ATOM 613 C LEU A 83 100.057 57.947 1.121 1.00 20.62 C ATOM 614 O LEU A 83 98.861 58.253 1.312 1.00 20.60 O ATOM 615 CB LEU A 83 100.711 58.131 -1.335 1.00 13.77 C ATOM 616 CG LEU A 83 100.386 58.873 -2.586 1.00 25.50 C ATOM 617 CD1 LEU A 83 100.019 57.835 -3.659 1.00 25.40 C ATOM 618 CD2 LEU A 83 99.272 59.884 -2.398 1.00 20.76 C ATOM 619 N SER A 84 100.780 56.998 1.719 1.00 17.25 N ATOM 620 CA SER A 84 100.113 56.218 2.801 1.00 21.93 C ATOM 621 C SER A 84 99.810 57.124 3.998 1.00 19.36 C ATOM 622 O SER A 84 98.825 56.904 4.726 1.00 20.44 O ATOM 623 CB SER A 84 100.905 55.008 3.248 1.00 18.63 C ATOM 624 OG SER A 84 102.259 55.339 3.392 1.00 34.00 O ATOM 625 N ASP A 85 100.643 58.130 4.186 1.00 20.46 N ATOM 626 CA ASP A 85 100.485 59.112 5.271 1.00 20.16 C ATOM 627 C ASP A 85 99.209 59.902 5.033 1.00 17.44 C ATOM 628 O ASP A 85 98.381 60.084 5.928 1.00 23.34 O ATOM 629 CB ASP A 85 101.676 60.071 5.364 1.00 19.21 C ATOM 630 CG ASP A 85 102.859 59.531 6.129 1.00 25.65 C ATOM 631 OD1 ASP A 85 102.841 58.411 6.650 1.00 27.40 O ATOM 632 OD2 ASP A 85 103.881 60.259 6.162 1.00 45.43 O ATOM 633 N LEU A 86 99.127 60.408 3.806 1.00 18.66 N ATOM 634 CA LEU A 86 97.970 61.233 3.437 1.00 20.22 C ATOM 635 C LEU A 86 96.622 60.530 3.570 1.00 18.89 C ATOM 636 O LEU A 86 95.617 61.141 3.972 1.00 18.11 O ATOM 637 CB LEU A 86 98.200 61.746 2.001 1.00 24.46 C ATOM 638 CG LEU A 86 97.055 62.658 1.543 1.00 22.22 C ATOM 639 CD1 LEU A 86 97.210 64.019 2.176 1.00 27.85 C ATOM 640 CD2 LEU A 86 97.032 62.717 0.030 1.00 29.98 C ATOM 641 N HIS A 87 96.632 59.284 3.143 1.00 19.41 N ATOM 642 CA HIS A 87 95.418 58.436 3.173 1.00 18.07 C ATOM 643 C HIS A 87 95.061 58.113 4.611 1.00 20.35 C ATOM 644 O HIS A 87 93.893 58.315 4.997 1.00 18.80 O ATOM 645 CB HIS A 87 95.473 57.224 2.221 1.00 17.59 C ATOM 646 CG HIS A 87 95.289 57.623 0.770 1.00 15.68 C ATOM 647 ND1 HIS A 87 96.310 57.973 -0.077 1.00 18.56 N ATOM 648 CD2 HIS A 87 94.169 57.743 0.031 1.00 10.85 C ATOM 649 CE1 HIS A 87 95.848 58.322 -1.254 1.00 16.75 C ATOM 650 NE2 HIS A 87 94.536 58.171 -1.243 1.00 16.62 N ATOM 651 N ALA A 88 96.014 57.692 5.437 1.00 19.02 N ATOM 652 CA ALA A 88 95.827 57.356 6.814 1.00 15.99 C ATOM 653 C ALA A 88 95.467 58.567 7.669 1.00 19.53 C ATOM 654 O ALA A 88 94.648 58.417 8.571 1.00 21.53 O ATOM 655 CB ALA A 88 97.087 56.745 7.477 1.00 14.78 C ATOM 656 N HIS A 89 96.101 59.696 7.442 1.00 17.19 N ATOM 657 CA HIS A 89 95.887 60.813 8.365 1.00 20.53 C ATOM 658 C HIS A 89 95.002 61.914 7.905 1.00 19.93 C ATOM 659 O HIS A 89 94.464 62.636 8.776 1.00 19.65 O ATOM 660 CB HIS A 89 97.240 61.410 8.895 1.00 28.86 C ATOM 661 CG HIS A 89 98.015 60.291 9.536 1.00 40.46 C ATOM 662 ND1 HIS A 89 99.319 59.983 9.254 1.00 50.42 N ATOM 663 CD2 HIS A 89 97.579 59.357 10.427 1.00 52.35 C ATOM 664 CE1 HIS A 89 99.661 58.912 9.967 1.00 55.58 C ATOM 665 NE2 HIS A 89 98.628 58.514 10.682 1.00 59.55 N ATOM 666 N LYS A 90 94.849 62.035 6.612 1.00 20.35 N ATOM 667 CA LYS A 90 93.983 63.082 6.072 1.00 21.78 C ATOM 668 C LYS A 90 92.732 62.523 5.412 1.00 15.93 C ATOM 669 O LYS A 90 91.627 62.774 5.900 1.00 16.96 O ATOM 670 CB LYS A 90 94.723 63.946 5.035 1.00 28.13 C ATOM 671 CG LYS A 90 94.654 65.442 5.365 1.00 60.04 C ATOM 672 CD LYS A 90 93.470 66.118 4.686 1.00 77.72 C ATOM 673 CE LYS A 90 93.823 66.655 3.309 1.00 89.67 C ATOM 674 NZ LYS A 90 92.622 66.661 2.427 1.00 92.00 N ATOM 675 N LEU A 91 92.899 61.881 4.275 1.00 14.19 N ATOM 676 CA LEU A 91 91.718 61.426 3.517 1.00 12.74 C ATOM 677 C LEU A 91 90.849 60.483 4.287 1.00 12.97 C ATOM 678 O LEU A 91 89.600 60.620 4.290 1.00 15.15 O ATOM 679 CB LEU A 91 92.216 60.995 2.148 1.00 14.50 C ATOM 680 CG LEU A 91 93.260 61.975 1.560 1.00 12.81 C ATOM 681 CD1 LEU A 91 93.769 61.468 0.241 1.00 15.93 C ATOM 682 CD2 LEU A 91 92.543 63.312 1.352 1.00 18.24 C ATOM 683 N ARG A 92 91.460 59.506 4.905 1.00 15.56 N ATOM 684 CA ARG A 92 90.762 58.502 5.713 1.00 13.28 C ATOM 685 C ARG A 92 89.619 57.817 5.015 1.00 13.90 C ATOM 686 O ARG A 92 88.493 57.700 5.570 1.00 16.72 O ATOM 687 CB ARG A 92 90.306 59.210 7.047 1.00 10.20 C ATOM 688 CG ARG A 92 91.508 59.428 7.925 1.00 10.56 C ATOM 689 CD ARG A 92 91.333 60.240 9.131 1.00 23.80 C ATOM 690 NE ARG A 92 90.982 61.618 8.827 1.00 22.49 N ATOM 691 CZ ARG A 92 90.921 62.579 9.763 1.00 37.71 C ATOM 692 NH1 ARG A 92 91.307 62.400 11.025 1.00 28.36 N ATOM 693 NH2 ARG A 92 90.436 63.762 9.386 1.00 25.93 N ATOM 694 N VAL A 93 89.855 57.318 3.811 1.00 14.52 N ATOM 695 CA VAL A 93 88.920 56.532 2.977 1.00 12.94 C ATOM 696 C VAL A 93 88.738 55.130 3.568 1.00 14.02 C ATOM 697 O VAL A 93 89.750 54.430 3.790 1.00 17.63 O ATOM 698 CB VAL A 93 89.556 56.411 1.560 1.00 11.78 C ATOM 699 CG1 VAL A 93 88.747 55.517 0.634 1.00 7.86 C ATOM 700 CG2 VAL A 93 89.771 57.804 0.999 1.00 10.47 C ATOM 701 N ASP A 94 87.520 54.673 3.817 1.00 11.47 N ATOM 702 CA ASP A 94 87.350 53.309 4.345 1.00 9.70 C ATOM 703 C ASP A 94 88.006 52.326 3.358 1.00 16.12 C ATOM 704 O ASP A 94 87.737 52.404 2.159 1.00 14.38 O ATOM 705 CB ASP A 94 85.869 52.922 4.398 1.00 7.55 C ATOM 706 CG ASP A 94 85.724 51.614 5.142 1.00 9.63 C ATOM 707 OD1 ASP A 94 85.833 50.611 4.446 1.00 11.40 O ATOM 708 OD2 ASP A 94 85.524 51.633 6.354 1.00 15.58 O ATOM 709 N PRO A 95 88.777 51.412 3.892 1.00 14.26 N ATOM 710 CA PRO A 95 89.436 50.396 3.075 1.00 12.01 C ATOM 711 C PRO A 95 88.569 49.668 2.091 1.00 14.07 C ATOM 712 O PRO A 95 89.201 49.264 1.070 1.00 13.89 O ATOM 713 CB PRO A 95 90.002 49.449 4.158 1.00 11.88 C ATOM 714 CG PRO A 95 90.417 50.453 5.233 1.00 12.80 C ATOM 715 CD PRO A 95 89.138 51.289 5.316 1.00 12.89 C ATOM 716 N VAL A 96 87.270 49.429 2.241 1.00 12.16 N ATOM 717 CA VAL A 96 86.532 48.716 1.175 1.00 14.81 C ATOM 718 C VAL A 96 86.626 49.478 -0.152 1.00 13.65 C ATOM 719 O VAL A 96 86.596 48.814 -1.199 1.00 14.63 O ATOM 720 CB VAL A 96 85.040 48.439 1.471 1.00 17.07 C ATOM 721 CG1 VAL A 96 84.815 47.860 2.847 1.00 31.72 C ATOM 722 CG2 VAL A 96 84.193 49.708 1.328 1.00 16.16 C ATOM 723 N ASN A 97 86.678 50.794 -0.165 1.00 10.89 N ATOM 724 CA ASN A 97 86.744 51.539 -1.443 1.00 9.80 C ATOM 725 C ASN A 97 87.905 51.192 -2.355 1.00 12.79 C ATOM 726 O ASN A 97 87.761 51.320 -3.574 1.00 15.09 O ATOM 727 CB ASN A 97 86.662 53.029 -1.125 1.00 4.99 C ATOM 728 CG ASN A 97 85.361 53.295 -0.350 1.00 22.79 C ATOM 729 OD1 ASN A 97 84.294 53.277 -0.958 1.00 9.19 O ATOM 730 ND2 ASN A 97 85.429 53.437 0.963 1.00 11.58 N ATOM 731 N PHE A 98 89.053 50.837 -1.818 1.00 10.72 N ATOM 732 CA PHE A 98 90.244 50.475 -2.583 1.00 10.32 C ATOM 733 C PHE A 98 89.885 49.297 -3.487 1.00 9.33 C ATOM 734 O PHE A 98 90.346 49.228 -4.629 1.00 10.89 O ATOM 735 CB PHE A 98 91.496 50.206 -1.749 1.00 8.89 C ATOM 736 CG PHE A 98 92.038 51.451 -1.078 1.00 11.48 C ATOM 737 CD1 PHE A 98 91.476 51.874 0.144 1.00 12.38 C ATOM 738 CD2 PHE A 98 93.009 52.196 -1.673 1.00 6.45 C ATOM 739 CE1 PHE A 98 91.912 53.041 0.761 1.00 11.10 C ATOM 740 CE2 PHE A 98 93.469 53.388 -1.097 1.00 11.10 C ATOM 741 CZ PHE A 98 92.909 53.805 0.100 1.00 15.71 C ATOM 742 N LYS A 99 89.077 48.395 -2.939 1.00 11.06 N ATOM 743 CA LYS A 99 88.692 47.212 -3.739 1.00 8.30 C ATOM 744 C LYS A 99 87.797 47.648 -4.876 1.00 6.79 C ATOM 745 O LYS A 99 87.886 47.071 -5.984 1.00 7.91 O ATOM 746 CB LYS A 99 88.239 46.076 -2.839 1.00 14.03 C ATOM 747 CG LYS A 99 86.773 46.182 -2.452 1.00 50.66 C ATOM 748 CD LYS A 99 86.236 45.080 -1.572 1.00 70.65 C ATOM 749 CE LYS A 99 84.711 45.078 -1.480 1.00 68.22 C ATOM 750 NZ LYS A 99 84.267 46.227 -0.639 1.00 77.49 N ATOM 751 N LEU A 100 86.988 48.675 -4.693 1.00 9.96 N ATOM 752 CA LEU A 100 86.113 49.205 -5.757 1.00 6.91 C ATOM 753 C LEU A 100 86.900 49.839 -6.881 1.00 11.31 C ATOM 754 O LEU A 100 86.570 49.569 -8.043 1.00 10.68 O ATOM 755 CB LEU A 100 85.047 50.104 -5.135 1.00 10.91 C ATOM 756 CG LEU A 100 84.230 49.446 -4.007 1.00 7.86 C ATOM 757 CD1 LEU A 100 83.060 50.331 -3.576 1.00 7.09 C ATOM 758 CD2 LEU A 100 83.697 48.121 -4.518 1.00 8.75 C ATOM 759 N LEU A 101 87.919 50.626 -6.564 1.00 11.48 N ATOM 760 CA LEU A 101 88.755 51.286 -7.569 1.00 10.23 C ATOM 761 C LEU A 101 89.626 50.254 -8.282 1.00 11.38 C ATOM 762 O LEU A 101 89.793 50.334 -9.489 1.00 11.52 O ATOM 763 CB LEU A 101 89.577 52.426 -6.950 1.00 9.37 C ATOM 764 CG LEU A 101 90.511 53.171 -7.928 1.00 14.39 C ATOM 765 CD1 LEU A 101 89.716 53.750 -9.094 1.00 9.94 C ATOM 766 CD2 LEU A 101 91.156 54.309 -7.123 1.00 13.61 C ATOM 767 N SER A 102 90.169 49.314 -7.530 1.00 7.19 N ATOM 768 CA SER A 102 91.009 48.283 -8.156 1.00 9.52 C ATOM 769 C SER A 102 90.182 47.552 -9.225 1.00 15.35 C ATOM 770 O SER A 102 90.712 47.283 -10.326 1.00 11.73 O ATOM 771 CB SER A 102 91.639 47.367 -7.137 1.00 7.41 C ATOM 772 OG SER A 102 92.349 48.135 -6.169 1.00 15.79 O ATOM 773 N HIS A 103 88.933 47.223 -8.923 1.00 12.53 N ATOM 774 CA HIS A 103 88.067 46.505 -9.874 1.00 11.22 C ATOM 775 C HIS A 103 87.895 47.348 -11.132 1.00 11.03 C ATOM 776 O HIS A 103 88.007 46.823 -12.266 1.00 9.88 O ATOM 777 CB HIS A 103 86.703 46.084 -9.301 1.00 10.32 C ATOM 778 CG HIS A 103 85.718 45.538 -10.295 1.00 14.27 C ATOM 779 ND1 HIS A 103 85.864 44.364 -10.981 1.00 8.60 N ATOM 780 CD2 HIS A 103 84.523 46.056 -10.714 1.00 8.69 C ATOM 781 CE1 HIS A 103 84.844 44.177 -11.821 1.00 7.68 C ATOM 782 NE2 HIS A 103 84.011 45.194 -11.638 1.00 7.90 N ATOM 783 N CYS A 104 87.579 48.600 -10.958 1.00 7.82 N ATOM 784 CA CYS A 104 87.372 49.508 -12.107 1.00 14.50 C ATOM 785 C CYS A 104 88.640 49.748 -12.904 1.00 15.66 C ATOM 786 O CYS A 104 88.556 50.070 -14.112 1.00 18.17 O ATOM 787 CB CYS A 104 86.726 50.826 -11.640 1.00 4.68 C ATOM 788 SG CYS A 104 85.045 50.587 -11.043 1.00 11.87 S ATOM 789 N LEU A 105 89.826 49.642 -12.344 1.00 13.56 N ATOM 790 CA LEU A 105 91.076 49.776 -13.089 1.00 13.96 C ATOM 791 C LEU A 105 91.242 48.506 -13.938 1.00 13.13 C ATOM 792 O LEU A 105 91.715 48.629 -15.061 1.00 12.81 O ATOM 793 CB LEU A 105 92.288 49.933 -12.178 1.00 18.81 C ATOM 794 CG LEU A 105 92.576 51.308 -11.609 1.00 27.66 C ATOM 795 CD1 LEU A 105 93.383 51.185 -10.306 1.00 23.27 C ATOM 796 CD2 LEU A 105 93.386 52.056 -12.660 1.00 33.53 C ATOM 797 N LEU A 106 90.939 47.350 -13.367 1.00 11.59 N ATOM 798 CA LEU A 106 91.064 46.113 -14.183 1.00 15.17 C ATOM 799 C LEU A 106 90.088 46.234 -15.362 1.00 17.72 C ATOM 800 O LEU A 106 90.409 45.748 -16.444 1.00 18.72 O ATOM 801 CB LEU A 106 90.788 44.859 -13.365 1.00 12.47 C ATOM 802 CG LEU A 106 91.705 44.423 -12.267 1.00 17.92 C ATOM 803 CD1 LEU A 106 91.318 43.037 -11.728 1.00 17.81 C ATOM 804 CD2 LEU A 106 93.137 44.328 -12.815 1.00 20.01 C ATOM 805 N VAL A 107 88.900 46.796 -15.101 1.00 21.89 N ATOM 806 CA VAL A 107 87.884 46.887 -16.179 1.00 19.39 C ATOM 807 C VAL A 107 88.461 47.746 -17.309 1.00 14.70 C ATOM 808 O VAL A 107 88.347 47.307 -18.458 1.00 14.34 O ATOM 809 CB VAL A 107 86.475 47.290 -15.732 1.00 11.99 C ATOM 810 CG1 VAL A 107 85.541 47.652 -16.907 1.00 15.35 C ATOM 811 CG2 VAL A 107 85.838 46.178 -14.938 1.00 5.11 C ATOM 812 N THR A 108 89.036 48.848 -16.919 1.00 13.02 N ATOM 813 CA THR A 108 89.667 49.800 -17.869 1.00 17.74 C ATOM 814 C THR A 108 90.755 49.168 -18.711 1.00 18.26 C ATOM 815 O THR A 108 90.786 49.324 -19.932 1.00 17.84 O ATOM 816 CB THR A 108 90.122 51.093 -17.059 1.00 11.86 C ATOM 817 OG1 THR A 108 88.837 51.550 -16.484 1.00 11.65 O ATOM 818 CG2 THR A 108 90.746 52.179 -17.934 1.00 13.62 C ATOM 819 N LEU A 109 91.654 48.444 -18.085 1.00 13.06 N ATOM 820 CA LEU A 109 92.772 47.742 -18.637 1.00 16.97 C ATOM 821 C LEU A 109 92.251 46.667 -19.580 1.00 15.39 C ATOM 822 O LEU A 109 92.799 46.566 -20.681 1.00 18.49 O ATOM 823 CB LEU A 109 93.709 47.218 -17.549 1.00 15.91 C ATOM 824 CG LEU A 109 94.952 47.942 -17.103 1.00 19.87 C ATOM 825 CD1 LEU A 109 94.944 49.410 -17.415 1.00 16.89 C ATOM 826 CD2 LEU A 109 95.142 47.755 -15.584 1.00 15.52 C ATOM 827 N ALA A 110 91.273 45.898 -19.141 1.00 15.27 N ATOM 828 CA ALA A 110 90.688 44.873 -20.005 1.00 14.30 C ATOM 829 C ALA A 110 90.136 45.490 -21.304 1.00 15.59 C ATOM 830 O ALA A 110 90.372 44.913 -22.388 1.00 14.02 O ATOM 831 CB ALA A 110 89.604 44.117 -19.261 1.00 17.65 C ATOM 832 N ALA A 111 89.392 46.568 -21.205 1.00 12.96 N ATOM 833 CA ALA A 111 88.723 47.239 -22.311 1.00 12.64 C ATOM 834 C ALA A 111 89.673 47.955 -23.261 1.00 18.03 C ATOM 835 O ALA A 111 89.248 48.376 -24.356 1.00 21.70 O ATOM 836 CB ALA A 111 87.682 48.253 -21.811 1.00 10.37 C ATOM 837 N HIS A 112 90.905 48.135 -22.881 1.00 19.26 N ATOM 838 CA HIS A 112 91.935 48.815 -23.659 1.00 19.38 C ATOM 839 C HIS A 112 93.096 47.905 -24.025 1.00 20.57 C ATOM 840 O HIS A 112 93.867 48.414 -24.857 1.00 28.49 O ATOM 841 CB HIS A 112 92.569 50.048 -22.932 1.00 10.72 C ATOM 842 CG HIS A 112 91.628 51.213 -22.907 1.00 16.60 C ATOM 843 ND1 HIS A 112 91.444 52.087 -23.937 1.00 19.20 N ATOM 844 CD2 HIS A 112 90.788 51.630 -21.920 1.00 19.27 C ATOM 845 CE1 HIS A 112 90.556 52.998 -23.586 1.00 11.23 C ATOM 846 NE2 HIS A 112 90.141 52.746 -22.367 1.00 18.00 N ATOM 847 N LEU A 113 93.292 46.726 -23.500 1.00 16.95 N ATOM 848 CA LEU A 113 94.442 45.856 -23.775 1.00 19.98 C ATOM 849 C LEU A 113 93.990 44.410 -23.982 1.00 25.67 C ATOM 850 O LEU A 113 94.380 43.510 -23.220 1.00 26.60 O ATOM 851 CB LEU A 113 95.430 45.907 -22.615 1.00 23.90 C ATOM 852 CG LEU A 113 96.027 47.136 -22.028 1.00 24.21 C ATOM 853 CD1 LEU A 113 97.170 46.794 -21.067 1.00 34.74 C ATOM 854 CD2 LEU A 113 96.580 48.069 -23.096 1.00 27.54 C ATOM 855 N PRO A 114 93.204 44.211 -25.019 1.00 27.54 N ATOM 856 CA PRO A 114 92.667 42.879 -25.315 1.00 29.72 C ATOM 857 C PRO A 114 93.740 41.826 -25.450 1.00 32.52 C ATOM 858 O PRO A 114 93.634 40.753 -24.821 1.00 38.74 O ATOM 859 CB PRO A 114 91.760 43.077 -26.522 1.00 26.61 C ATOM 860 CG PRO A 114 92.158 44.371 -27.133 1.00 29.22 C ATOM 861 CD PRO A 114 92.710 45.221 -25.971 1.00 27.78 C ATOM 862 N ALA A 115 94.775 42.074 -26.224 1.00 26.97 N ATOM 863 CA ALA A 115 95.874 41.156 -26.458 1.00 21.71 C ATOM 864 C ALA A 115 96.703 40.887 -25.200 1.00 20.38 C ATOM 865 O ALA A 115 97.122 39.742 -24.967 1.00 26.91 O ATOM 866 CB ALA A 115 96.754 41.752 -27.535 1.00 22.57 C ATOM 867 N GLU A 116 96.926 41.909 -24.411 1.00 18.64 N ATOM 868 CA GLU A 116 97.718 41.847 -23.194 1.00 18.88 C ATOM 869 C GLU A 116 97.024 41.316 -21.961 1.00 22.84 C ATOM 870 O GLU A 116 97.705 40.703 -21.087 1.00 20.70 O ATOM 871 CB GLU A 116 98.256 43.260 -22.897 1.00 24.40 C ATOM 872 CG GLU A 116 99.397 43.692 -23.839 1.00 36.97 C ATOM 873 CD GLU A 116 98.988 44.278 -25.160 1.00 51.52 C ATOM 874 OE1 GLU A 116 97.786 44.630 -25.244 1.00 48.39 O ATOM 875 OE2 GLU A 116 99.769 44.399 -26.098 1.00 57.03 O ATOM 876 N PHE A 117 95.723 41.461 -21.839 1.00 22.50 N ATOM 877 CA PHE A 117 94.947 41.040 -20.656 1.00 13.82 C ATOM 878 C PHE A 117 94.602 39.583 -20.621 1.00 17.36 C ATOM 879 O PHE A 117 93.416 39.226 -20.669 1.00 18.00 O ATOM 880 CB PHE A 117 93.711 41.908 -20.454 1.00 14.40 C ATOM 881 CG PHE A 117 93.108 41.947 -19.077 1.00 22.83 C ATOM 882 CD1 PHE A 117 93.708 42.713 -18.072 1.00 15.35 C ATOM 883 CD2 PHE A 117 91.922 41.246 -18.816 1.00 16.84 C ATOM 884 CE1 PHE A 117 93.147 42.811 -16.790 1.00 12.87 C ATOM 885 CE2 PHE A 117 91.318 41.336 -17.535 1.00 16.90 C ATOM 886 CZ PHE A 117 91.967 42.108 -16.537 1.00 12.16 C ATOM 887 N THR A 118 95.633 38.770 -20.503 1.00 15.53 N ATOM 888 CA THR A 118 95.450 37.305 -20.394 1.00 16.52 C ATOM 889 C THR A 118 95.131 36.951 -18.954 1.00 16.42 C ATOM 890 O THR A 118 95.274 37.768 -18.013 1.00 15.36 O ATOM 891 CB THR A 118 96.786 36.626 -20.919 1.00 16.31 C ATOM 892 OG1 THR A 118 97.824 37.037 -19.994 1.00 16.16 O ATOM 893 CG2 THR A 118 97.155 37.094 -22.344 1.00 23.00 C ATOM 894 N PRO A 119 94.726 35.713 -18.738 1.00 13.45 N ATOM 895 CA PRO A 119 94.364 35.276 -17.375 1.00 14.20 C ATOM 896 C PRO A 119 95.487 35.504 -16.408 1.00 12.47 C ATOM 897 O PRO A 119 95.260 36.055 -15.317 1.00 18.68 O ATOM 898 CB PRO A 119 93.996 33.796 -17.533 1.00 15.21 C ATOM 899 CG PRO A 119 93.437 33.765 -18.958 1.00 15.25 C ATOM 900 CD PRO A 119 94.482 34.653 -19.715 1.00 16.88 C ATOM 901 N ALA A 120 96.678 35.114 -16.785 1.00 13.23 N ATOM 902 CA ALA A 120 97.880 35.222 -15.930 1.00 13.59 C ATOM 903 C ALA A 120 98.223 36.662 -15.594 1.00 15.86 C ATOM 904 O ALA A 120 98.685 36.963 -14.471 1.00 14.61 O ATOM 905 CB ALA A 120 99.007 34.539 -16.717 1.00 22.95 C ATOM 906 N VAL A 121 98.010 37.569 -16.518 1.00 10.82 N ATOM 907 CA VAL A 121 98.347 38.992 -16.318 1.00 13.28 C ATOM 908 C VAL A 121 97.262 39.633 -15.431 1.00 17.28 C ATOM 909 O VAL A 121 97.576 40.490 -14.594 1.00 16.13 O ATOM 910 CB VAL A 121 98.521 39.689 -17.659 1.00 15.98 C ATOM 911 CG1 VAL A 121 98.511 41.218 -17.522 1.00 23.12 C ATOM 912 CG2 VAL A 121 99.757 39.244 -18.411 1.00 19.87 C ATOM 913 N HIS A 122 96.045 39.201 -15.704 1.00 14.26 N ATOM 914 CA HIS A 122 94.850 39.622 -14.934 1.00 13.92 C ATOM 915 C HIS A 122 95.143 39.294 -13.456 1.00 13.49 C ATOM 916 O HIS A 122 95.049 40.135 -12.562 1.00 12.10 O ATOM 917 CB HIS A 122 93.628 38.806 -15.427 1.00 9.12 C ATOM 918 CG HIS A 122 92.322 39.099 -14.749 1.00 16.09 C ATOM 919 ND1 HIS A 122 91.116 38.547 -15.189 1.00 16.61 N ATOM 920 CD2 HIS A 122 91.985 39.846 -13.684 1.00 13.37 C ATOM 921 CE1 HIS A 122 90.132 38.949 -14.428 1.00 15.45 C ATOM 922 NE2 HIS A 122 90.632 39.736 -13.517 1.00 16.60 N ATOM 923 N ALA A 123 95.540 38.051 -13.223 1.00 7.88 N ATOM 924 CA ALA A 123 95.871 37.539 -11.885 1.00 12.90 C ATOM 925 C ALA A 123 96.972 38.351 -11.242 1.00 14.68 C ATOM 926 O ALA A 123 96.882 38.752 -10.066 1.00 16.47 O ATOM 927 CB ALA A 123 96.129 36.038 -12.003 1.00 5.61 C ATOM 928 N SER A 124 97.987 38.734 -12.007 1.00 14.96 N ATOM 929 CA SER A 124 99.121 39.527 -11.513 1.00 9.80 C ATOM 930 C SER A 124 98.700 40.924 -11.109 1.00 14.03 C ATOM 931 O SER A 124 99.096 41.436 -10.046 1.00 16.90 O ATOM 932 CB SER A 124 100.214 39.617 -12.629 1.00 12.35 C ATOM 933 OG SER A 124 100.840 38.322 -12.649 1.00 11.83 O ATOM 934 N LEU A 125 97.917 41.524 -11.989 1.00 12.20 N ATOM 935 CA LEU A 125 97.406 42.878 -11.821 1.00 15.58 C ATOM 936 C LEU A 125 96.501 42.936 -10.586 1.00 12.21 C ATOM 937 O LEU A 125 96.557 43.916 -9.830 1.00 11.65 O ATOM 938 CB LEU A 125 96.748 43.327 -13.131 1.00 16.44 C ATOM 939 CG LEU A 125 97.585 43.734 -14.333 1.00 20.88 C ATOM 940 CD1 LEU A 125 96.671 44.159 -15.483 1.00 17.49 C ATOM 941 CD2 LEU A 125 98.484 44.913 -13.985 1.00 11.43 C ATOM 942 N ASP A 126 95.641 41.947 -10.443 1.00 12.80 N ATOM 943 CA ASP A 126 94.734 41.887 -9.280 1.00 13.05 C ATOM 944 C ASP A 126 95.586 41.941 -7.983 1.00 14.45 C ATOM 945 O ASP A 126 95.239 42.703 -7.091 1.00 11.25 O ATOM 946 CB ASP A 126 93.867 40.631 -9.264 1.00 8.17 C ATOM 947 CG ASP A 126 92.712 40.843 -8.285 1.00 8.74 C ATOM 948 OD1 ASP A 126 91.975 41.816 -8.430 1.00 16.66 O ATOM 949 OD2 ASP A 126 92.626 40.104 -7.317 1.00 21.80 O ATOM 950 N LYS A 127 96.604 41.113 -7.941 1.00 13.97 N ATOM 951 CA LYS A 127 97.506 41.017 -6.784 1.00 12.78 C ATOM 952 C LYS A 127 98.294 42.300 -6.564 1.00 12.78 C ATOM 953 O LYS A 127 98.550 42.706 -5.407 1.00 15.50 O ATOM 954 CB LYS A 127 98.509 39.872 -6.919 1.00 21.57 C ATOM 955 CG LYS A 127 97.964 38.453 -7.033 1.00 18.09 C ATOM 956 CD LYS A 127 99.118 37.426 -7.040 1.00 14.78 C ATOM 957 CE LYS A 127 99.891 37.559 -5.709 1.00 20.34 C ATOM 958 NZ LYS A 127 100.981 36.561 -5.730 1.00 25.69 N ATOM 959 N PHE A 128 98.663 42.954 -7.661 1.00 10.94 N ATOM 960 CA PHE A 128 99.469 44.188 -7.562 1.00 10.60 C ATOM 961 C PHE A 128 98.681 45.306 -6.906 1.00 9.06 C ATOM 962 O PHE A 128 99.193 46.013 -6.041 1.00 13.92 O ATOM 963 CB PHE A 128 100.116 44.488 -8.920 1.00 15.27 C ATOM 964 CG PHE A 128 100.632 45.890 -9.067 1.00 12.01 C ATOM 965 CD1 PHE A 128 101.802 46.267 -8.409 1.00 15.68 C ATOM 966 CD2 PHE A 128 99.906 46.836 -9.778 1.00 15.31 C ATOM 967 CE1 PHE A 128 102.299 47.572 -8.489 1.00 8.01 C ATOM 968 CE2 PHE A 128 100.386 48.148 -9.885 1.00 18.88 C ATOM 969 CZ PHE A 128 101.585 48.495 -9.237 1.00 12.18 C ATOM 970 N LEU A 129 97.448 45.504 -7.354 1.00 11.28 N ATOM 971 CA LEU A 129 96.503 46.511 -6.881 1.00 7.29 C ATOM 972 C LEU A 129 96.120 46.240 -5.428 1.00 4.98 C ATOM 973 O LEU A 129 95.996 47.148 -4.595 1.00 12.68 O ATOM 974 CB LEU A 129 95.332 46.707 -7.835 1.00 8.27 C ATOM 975 CG LEU A 129 95.639 47.174 -9.268 1.00 14.76 C ATOM 976 CD1 LEU A 129 94.403 47.266 -10.134 1.00 7.63 C ATOM 977 CD2 LEU A 129 96.311 48.530 -9.204 1.00 16.49 C ATOM 978 N ALA A 130 95.979 44.984 -5.093 1.00 10.95 N ATOM 979 CA ALA A 130 95.704 44.586 -3.705 1.00 11.10 C ATOM 980 C ALA A 130 96.902 45.000 -2.842 1.00 17.08 C ATOM 981 O ALA A 130 96.723 45.434 -1.666 1.00 17.42 O ATOM 982 CB ALA A 130 95.445 43.086 -3.652 1.00 10.40 C ATOM 983 N SER A 131 98.117 44.908 -3.395 1.00 13.67 N ATOM 984 CA SER A 131 99.310 45.270 -2.615 1.00 14.88 C ATOM 985 C SER A 131 99.416 46.787 -2.481 1.00 14.10 C ATOM 986 O SER A 131 99.782 47.251 -1.402 1.00 15.20 O ATOM 987 CB SER A 131 100.640 44.740 -3.139 1.00 13.32 C ATOM 988 OG SER A 131 100.511 43.382 -3.489 1.00 30.08 O ATOM 989 N VAL A 132 99.130 47.451 -3.609 1.00 11.39 N ATOM 990 CA VAL A 132 99.193 48.909 -3.468 1.00 13.06 C ATOM 991 C VAL A 132 98.177 49.291 -2.390 1.00 13.77 C ATOM 992 O VAL A 132 98.419 50.200 -1.605 1.00 14.86 O ATOM 993 CB VAL A 132 98.919 49.618 -4.807 1.00 2.86 C ATOM 994 CG1 VAL A 132 98.971 51.126 -4.652 1.00 14.81 C ATOM 995 CG2 VAL A 132 99.895 49.131 -5.849 1.00 15.89 C ATOM 996 N SER A 133 97.030 48.618 -2.433 1.00 13.48 N ATOM 997 CA SER A 133 95.953 48.964 -1.491 1.00 15.61 C ATOM 998 C SER A 133 96.395 48.750 -0.053 1.00 11.22 C ATOM 999 O SER A 133 96.086 49.573 0.819 1.00 18.59 O ATOM 1000 CB SER A 133 94.650 48.198 -1.801 1.00 11.39 C ATOM 1001 OG SER A 133 94.180 48.658 -3.046 1.00 20.26 O ATOM 1002 N THR A 134 97.060 47.629 0.171 1.00 15.32 N ATOM 1003 CA THR A 134 97.565 47.298 1.519 1.00 16.00 C ATOM 1004 C THR A 134 98.542 48.354 1.963 1.00 13.12 C ATOM 1005 O THR A 134 98.511 48.814 3.093 1.00 15.25 O ATOM 1006 CB THR A 134 98.199 45.858 1.486 1.00 7.70 C ATOM 1007 OG1 THR A 134 97.059 45.026 1.134 1.00 25.85 O ATOM 1008 CG2 THR A 134 98.826 45.422 2.785 1.00 21.02 C ATOM 1009 N VAL A 135 99.375 48.825 1.032 1.00 16.57 N ATOM 1010 CA VAL A 135 100.344 49.878 1.417 1.00 14.01 C ATOM 1011 C VAL A 135 99.643 51.153 1.825 1.00 19.10 C ATOM 1012 O VAL A 135 99.992 51.781 2.856 1.00 22.93 O ATOM 1013 CB VAL A 135 101.436 50.028 0.336 1.00 13.32 C ATOM 1014 CG1 VAL A 135 102.341 51.230 0.581 1.00 14.65 C ATOM 1015 CG2 VAL A 135 102.269 48.737 0.231 1.00 19.45 C ATOM 1016 N LEU A 136 98.679 51.563 1.007 1.00 18.10 N ATOM 1017 CA LEU A 136 97.935 52.802 1.222 1.00 13.95 C ATOM 1018 C LEU A 136 97.146 52.810 2.509 1.00 11.53 C ATOM 1019 O LEU A 136 96.834 53.913 2.979 1.00 16.74 O ATOM 1020 CB LEU A 136 97.096 53.066 -0.057 1.00 11.17 C ATOM 1021 CG LEU A 136 97.828 53.536 -1.317 1.00 17.36 C ATOM 1022 CD1 LEU A 136 96.879 54.133 -2.351 1.00 23.25 C ATOM 1023 CD2 LEU A 136 98.813 54.646 -0.971 1.00 17.63 C ATOM 1024 N THR A 137 96.740 51.667 3.046 1.00 13.84 N ATOM 1025 CA THR A 137 95.917 51.709 4.280 1.00 11.17 C ATOM 1026 C THR A 137 96.735 51.130 5.424 1.00 16.70 C ATOM 1027 O THR A 137 96.186 50.829 6.490 1.00 19.53 O ATOM 1028 CB THR A 137 94.580 50.887 4.081 1.00 12.07 C ATOM 1029 OG1 THR A 137 95.067 49.562 3.761 1.00 9.87 O ATOM 1030 CG2 THR A 137 93.576 51.360 3.037 1.00 13.19 C ATOM 1031 N SER A 138 98.029 50.935 5.202 1.00 12.79 N ATOM 1032 CA SER A 138 98.916 50.341 6.205 1.00 15.33 C ATOM 1033 C SER A 138 99.050 51.176 7.478 1.00 10.41 C ATOM 1034 O SER A 138 99.374 50.588 8.540 1.00 19.11 O ATOM 1035 CB SER A 138 100.325 50.077 5.628 1.00 15.14 C ATOM 1036 OG SER A 138 100.951 51.267 5.189 1.00 19.12 O ATOM 1037 N LYS A 139 98.853 52.448 7.414 1.00 12.57 N ATOM 1038 CA LYS A 139 98.988 53.355 8.568 1.00 14.79 C ATOM 1039 C LYS A 139 97.695 53.872 9.157 1.00 14.40 C ATOM 1040 O LYS A 139 97.654 54.855 9.934 1.00 20.45 O ATOM 1041 CB LYS A 139 99.882 54.524 8.134 1.00 9.79 C ATOM 1042 CG LYS A 139 101.236 54.037 7.567 1.00 23.19 C ATOM 1043 CD LYS A 139 102.092 55.236 7.183 1.00 32.17 C ATOM 1044 CE LYS A 139 103.336 54.865 6.388 1.00 33.03 C ATOM 1045 NZ LYS A 139 104.130 56.106 6.163 1.00 36.75 N ATOM 1046 N TYR A 140 96.595 53.183 8.884 1.00 13.41 N ATOM 1047 CA TYR A 140 95.277 53.576 9.388 1.00 19.60 C ATOM 1048 C TYR A 140 95.132 53.598 10.899 1.00 24.03 C ATOM 1049 O TYR A 140 94.461 54.482 11.508 1.00 18.31 O ATOM 1050 CB TYR A 140 94.226 52.725 8.675 1.00 13.60 C ATOM 1051 CG TYR A 140 93.740 53.377 7.402 1.00 19.98 C ATOM 1052 CD1 TYR A 140 94.613 54.062 6.557 1.00 14.75 C ATOM 1053 CD2 TYR A 140 92.383 53.319 7.082 1.00 11.94 C ATOM 1054 CE1 TYR A 140 94.140 54.655 5.378 1.00 14.61 C ATOM 1055 CE2 TYR A 140 91.910 53.931 5.926 1.00 13.53 C ATOM 1056 CZ TYR A 140 92.776 54.588 5.089 1.00 10.70 C ATOM 1057 OH TYR A 140 92.359 55.166 3.935 1.00 18.84 O ATOM 1058 N ARG A 141 95.752 52.595 11.506 1.00 26.51 N ATOM 1059 CA ARG A 141 95.698 52.454 12.984 1.00 25.94 C ATOM 1060 C ARG A 141 96.798 51.538 13.507 1.00 27.75 C ATOM 1061 O ARG A 141 97.506 50.889 12.689 1.00 38.29 O ATOM 1062 CB ARG A 141 94.315 51.989 13.414 1.00 18.05 C ATOM 1063 CG ARG A 141 93.923 50.640 12.815 1.00 16.45 C ATOM 1064 CD ARG A 141 92.692 50.085 13.462 1.00 17.31 C ATOM 1065 NE ARG A 141 92.558 48.686 13.121 1.00 8.09 N ATOM 1066 CZ ARG A 141 91.603 47.853 13.494 1.00 13.74 C ATOM 1067 NH1 ARG A 141 90.672 48.263 14.334 1.00 10.25 N ATOM 1068 NH2 ARG A 141 91.578 46.593 13.050 1.00 15.35 N ATOM 1069 OXT ARG A 141 96.956 51.492 14.745 1.00 29.93 O TER 1070 ARG A 141 HETATM 1071 FE HEM A 142 93.518 58.468 -3.212 1.00 18.42 FE HETATM 1072 CHA HEM A 142 94.094 61.877 -3.344 1.00 12.77 C HETATM 1073 CHB HEM A 142 96.413 58.007 -5.170 1.00 13.15 C HETATM 1074 CHC HEM A 142 92.662 55.247 -3.764 1.00 13.76 C HETATM 1075 CHD HEM A 142 90.172 59.125 -2.402 1.00 14.02 C HETATM 1076 N A HEM A 142 94.935 59.680 -4.116 1.00 18.19 N HETATM 1077 C1A HEM A 142 95.015 61.057 -3.977 1.00 12.52 C HETATM 1078 C2A HEM A 142 96.236 61.513 -4.605 1.00 17.47 C HETATM 1079 C3A HEM A 142 96.873 60.455 -5.094 1.00 16.10 C HETATM 1080 C4A HEM A 142 96.056 59.282 -4.800 1.00 15.14 C HETATM 1081 CMA HEM A 142 98.208 60.392 -5.870 1.00 11.99 C HETATM 1082 CAA HEM A 142 96.630 63.000 -4.613 1.00 22.18 C HETATM 1083 CBA HEM A 142 97.782 63.496 -3.764 1.00 30.57 C HETATM 1084 CGA HEM A 142 98.056 64.981 -3.861 1.00 36.90 C HETATM 1085 O1A HEM A 142 98.712 65.517 -2.930 1.00 49.02 O HETATM 1086 O2A HEM A 142 97.612 65.615 -4.840 1.00 38.09 O HETATM 1087 N B HEM A 142 94.344 56.955 -4.279 1.00 14.47 N HETATM 1088 C1B HEM A 142 95.567 56.954 -4.940 1.00 14.32 C HETATM 1089 C2B HEM A 142 95.855 55.602 -5.357 1.00 16.38 C HETATM 1090 C3B HEM A 142 94.817 54.823 -4.984 1.00 14.71 C HETATM 1091 C4B HEM A 142 93.877 55.665 -4.292 1.00 11.60 C HETATM 1092 CMB HEM A 142 97.166 55.216 -6.085 1.00 13.00 C HETATM 1093 CAB HEM A 142 94.602 53.308 -5.108 1.00 12.52 C HETATM 1094 CBB HEM A 142 95.038 52.557 -6.094 1.00 18.70 C HETATM 1095 N C HEM A 142 91.751 57.403 -3.146 1.00 15.98 N HETATM 1096 C1C HEM A 142 91.624 56.046 -3.367 1.00 11.89 C HETATM 1097 C2C HEM A 142 90.249 55.636 -3.102 1.00 14.24 C HETATM 1098 C3C HEM A 142 89.551 56.729 -2.771 1.00 14.57 C HETATM 1099 C4C HEM A 142 90.500 57.845 -2.757 1.00 14.24 C HETATM 1100 CMC HEM A 142 89.741 54.188 -3.246 1.00 9.43 C HETATM 1101 CAC HEM A 142 88.070 56.851 -2.392 1.00 16.48 C HETATM 1102 CBC HEM A 142 87.078 56.296 -3.065 1.00 11.47 C HETATM 1103 N D HEM A 142 92.375 60.138 -2.930 1.00 13.34 N HETATM 1104 C1D HEM A 142 91.043 60.191 -2.582 1.00 15.93 C HETATM 1105 C2D HEM A 142 90.648 61.568 -2.380 1.00 13.65 C HETATM 1106 C3D HEM A 142 91.732 62.315 -2.605 1.00 11.03 C HETATM 1107 C4D HEM A 142 92.809 61.457 -2.992 1.00 14.55 C HETATM 1108 CMD HEM A 142 89.227 61.992 -1.955 1.00 10.66 C HETATM 1109 CAD HEM A 142 91.844 63.861 -2.606 1.00 17.52 C HETATM 1110 CBD HEM A 142 91.451 64.504 -3.951 1.00 16.53 C HETATM 1111 CGD HEM A 142 91.395 66.008 -3.959 1.00 24.24 C HETATM 1112 O1D HEM A 142 92.114 66.610 -4.794 1.00 26.19 O HETATM 1113 O2D HEM A 142 90.620 66.543 -3.115 1.00 28.60 O ATOM 1114 N MET B 1 68.023 46.313 -6.831 1.00 68.69 N ATOM 1115 CA MET B 1 68.102 45.947 -8.262 1.00 66.01 C ATOM 1116 C MET B 1 66.983 46.661 -9.019 1.00 62.47 C ATOM 1117 O MET B 1 65.871 46.161 -9.257 1.00 63.00 O ATOM 1118 CB MET B 1 68.038 44.451 -8.471 1.00 68.03 C ATOM 1119 CG MET B 1 69.194 43.874 -9.208 1.00 62.61 C ATOM 1120 SD MET B 1 68.933 43.763 -10.979 1.00 39.90 S ATOM 1121 CE MET B 1 67.173 43.434 -11.135 1.00 50.96 C ATOM 1122 N HIS B 2 67.330 47.886 -9.382 1.00 56.84 N ATOM 1123 CA HIS B 2 66.381 48.684 -10.165 1.00 49.26 C ATOM 1124 C HIS B 2 67.146 49.102 -11.428 1.00 39.13 C ATOM 1125 O HIS B 2 68.133 49.841 -11.334 1.00 41.18 O ATOM 1126 CB HIS B 2 65.772 49.927 -9.510 1.00 60.80 C ATOM 1127 CG HIS B 2 64.984 50.767 -10.487 1.00 60.38 C ATOM 1128 ND1 HIS B 2 65.188 52.108 -10.705 1.00 61.82 N ATOM 1129 CD2 HIS B 2 63.987 50.388 -11.328 1.00 56.00 C ATOM 1130 CE1 HIS B 2 64.336 52.520 -11.626 1.00 61.93 C ATOM 1131 NE2 HIS B 2 63.604 51.499 -12.027 1.00 57.84 N ATOM 1132 N LEU B 3 66.619 48.602 -12.527 1.00 32.46 N ATOM 1133 CA LEU B 3 67.214 48.970 -13.824 1.00 28.83 C ATOM 1134 C LEU B 3 66.260 49.979 -14.461 1.00 23.77 C ATOM 1135 O LEU B 3 65.060 49.688 -14.574 1.00 25.57 O ATOM 1136 CB LEU B 3 67.404 47.752 -14.722 1.00 13.73 C ATOM 1137 CG LEU B 3 68.393 46.683 -14.295 1.00 18.43 C ATOM 1138 CD1 LEU B 3 68.607 45.791 -15.524 1.00 23.96 C ATOM 1139 CD2 LEU B 3 69.689 47.335 -13.847 1.00 12.00 C ATOM 1140 N THR B 4 66.829 51.079 -14.846 1.00 25.12 N ATOM 1141 CA THR B 4 66.015 52.095 -15.588 1.00 23.79 C ATOM 1142 C THR B 4 65.747 51.445 -16.942 1.00 27.54 C ATOM 1143 O THR B 4 66.417 50.446 -17.267 1.00 23.15 O ATOM 1144 CB THR B 4 66.864 53.407 -15.671 1.00 20.48 C ATOM 1145 OG1 THR B 4 67.842 53.140 -16.719 1.00 21.70 O ATOM 1146 CG2 THR B 4 67.543 53.723 -14.327 1.00 30.35 C ATOM 1147 N PRO B 5 64.790 51.943 -17.712 1.00 31.85 N ATOM 1148 CA PRO B 5 64.448 51.343 -19.012 1.00 31.57 C ATOM 1149 C PRO B 5 65.627 51.240 -19.964 1.00 30.23 C ATOM 1150 O PRO B 5 65.791 50.319 -20.783 1.00 31.40 O ATOM 1151 CB PRO B 5 63.318 52.224 -19.537 1.00 32.57 C ATOM 1152 CG PRO B 5 62.820 53.025 -18.392 1.00 31.71 C ATOM 1153 CD PRO B 5 63.920 53.088 -17.361 1.00 29.76 C ATOM 1154 N GLU B 6 66.501 52.222 -19.875 1.00 28.46 N ATOM 1155 CA GLU B 6 67.688 52.334 -20.704 1.00 28.36 C ATOM 1156 C GLU B 6 68.718 51.292 -20.264 1.00 29.88 C ATOM 1157 O GLU B 6 69.398 50.723 -21.127 1.00 32.13 O ATOM 1158 CB GLU B 6 68.353 53.682 -20.709 1.00 31.99 C ATOM 1159 CG GLU B 6 67.753 54.973 -20.255 1.00 57.98 C ATOM 1160 CD GLU B 6 66.669 55.001 -19.232 1.00 72.74 C ATOM 1161 OE1 GLU B 6 65.530 54.592 -19.407 1.00 79.98 O ATOM 1162 OE2 GLU B 6 67.023 55.465 -18.130 1.00 87.30 O ATOM 1163 N GLU B 7 68.843 51.064 -18.966 1.00 24.72 N ATOM 1164 CA GLU B 7 69.828 50.073 -18.487 1.00 25.08 C ATOM 1165 C GLU B 7 69.472 48.686 -18.984 1.00 23.69 C ATOM 1166 O GLU B 7 70.353 47.936 -19.407 1.00 20.68 O ATOM 1167 CB GLU B 7 69.911 50.007 -16.963 1.00 15.35 C ATOM 1168 CG GLU B 7 70.451 51.332 -16.386 1.00 13.99 C ATOM 1169 CD GLU B 7 70.536 51.311 -14.899 1.00 13.30 C ATOM 1170 OE1 GLU B 7 69.510 50.903 -14.291 1.00 20.17 O ATOM 1171 OE2 GLU B 7 71.564 51.691 -14.397 1.00 33.91 O ATOM 1172 N LYS B 8 68.190 48.413 -18.906 1.00 24.24 N ATOM 1173 CA LYS B 8 67.593 47.156 -19.345 1.00 22.78 C ATOM 1174 C LYS B 8 67.930 46.944 -20.821 1.00 28.38 C ATOM 1175 O LYS B 8 68.278 45.827 -21.238 1.00 32.13 O ATOM 1176 CB LYS B 8 66.085 47.133 -19.229 1.00 24.06 C ATOM 1177 CG LYS B 8 65.494 46.533 -17.974 1.00 46.30 C ATOM 1178 CD LYS B 8 64.113 47.102 -17.674 1.00 54.50 C ATOM 1179 CE LYS B 8 63.405 46.336 -16.571 1.00 75.20 C ATOM 1180 NZ LYS B 8 61.935 46.595 -16.608 1.00 81.10 N ATOM 1181 N SER B 9 67.776 48.010 -21.580 1.00 29.54 N ATOM 1182 CA SER B 9 68.067 47.912 -23.038 1.00 31.92 C ATOM 1183 C SER B 9 69.523 47.568 -23.287 1.00 27.38 C ATOM 1184 O SER B 9 69.854 46.730 -24.127 1.00 28.37 O ATOM 1185 CB SER B 9 67.667 49.214 -23.734 1.00 48.16 C ATOM 1186 OG SER B 9 66.429 49.692 -23.197 1.00 70.09 O ATOM 1187 N ALA B 10 70.384 48.270 -22.574 1.00 30.34 N ATOM 1188 CA ALA B 10 71.837 48.130 -22.676 1.00 27.82 C ATOM 1189 C ALA B 10 72.243 46.707 -22.320 1.00 25.75 C ATOM 1190 O ALA B 10 73.073 46.064 -22.983 1.00 27.26 O ATOM 1191 CB ALA B 10 72.560 49.102 -21.733 1.00 26.89 C ATOM 1192 N VAL B 11 71.613 46.224 -21.251 1.00 21.30 N ATOM 1193 CA VAL B 11 71.978 44.854 -20.794 1.00 15.80 C ATOM 1194 C VAL B 11 71.651 43.829 -21.847 1.00 17.27 C ATOM 1195 O VAL B 11 72.434 42.936 -22.158 1.00 16.84 O ATOM 1196 CB VAL B 11 71.367 44.613 -19.400 1.00 15.10 C ATOM 1197 CG1 VAL B 11 71.315 43.141 -19.017 1.00 22.14 C ATOM 1198 CG2 VAL B 11 72.209 45.407 -18.408 1.00 16.59 C ATOM 1199 N THR B 12 70.457 43.995 -22.366 1.00 20.57 N ATOM 1200 CA THR B 12 69.816 43.101 -23.340 1.00 19.64 C ATOM 1201 C THR B 12 70.516 43.067 -24.677 1.00 13.17 C ATOM 1202 O THR B 12 70.749 41.970 -25.207 1.00 15.69 O ATOM 1203 CB THR B 12 68.302 43.578 -23.438 1.00 27.74 C ATOM 1204 OG1 THR B 12 67.698 42.736 -22.406 1.00 39.41 O ATOM 1205 CG2 THR B 12 67.670 43.480 -24.799 1.00 46.60 C ATOM 1206 N ALA B 13 70.815 44.241 -25.172 1.00 16.77 N ATOM 1207 CA ALA B 13 71.527 44.408 -26.451 1.00 15.78 C ATOM 1208 C ALA B 13 72.897 43.765 -26.430 1.00 20.58 C ATOM 1209 O ALA B 13 73.302 43.062 -27.394 1.00 19.17 O ATOM 1210 CB ALA B 13 71.643 45.881 -26.774 1.00 15.31 C ATOM 1211 N LEU B 14 73.657 44.012 -25.356 1.00 17.10 N ATOM 1212 CA LEU B 14 74.993 43.383 -25.322 1.00 18.71 C ATOM 1213 C LEU B 14 74.906 41.877 -25.207 1.00 18.05 C ATOM 1214 O LEU B 14 75.713 41.125 -25.807 1.00 16.57 O ATOM 1215 CB LEU B 14 75.832 44.029 -24.201 1.00 21.41 C ATOM 1216 CG LEU B 14 77.328 43.808 -24.295 1.00 22.23 C ATOM 1217 CD1 LEU B 14 77.931 44.950 -25.144 1.00 25.64 C ATOM 1218 CD2 LEU B 14 77.919 43.823 -22.897 1.00 22.99 C ATOM 1219 N TRP B 15 73.952 41.429 -24.388 1.00 15.44 N ATOM 1220 CA TRP B 15 73.810 40.005 -24.133 1.00 13.58 C ATOM 1221 C TRP B 15 73.475 39.244 -25.407 1.00 11.00 C ATOM 1222 O TRP B 15 73.815 38.070 -25.522 1.00 12.32 O ATOM 1223 CB TRP B 15 72.867 39.714 -22.971 1.00 11.65 C ATOM 1224 CG TRP B 15 73.069 38.330 -22.453 1.00 15.69 C ATOM 1225 CD1 TRP B 15 72.331 37.201 -22.682 1.00 12.97 C ATOM 1226 CD2 TRP B 15 74.185 37.934 -21.628 1.00 17.68 C ATOM 1227 NE1 TRP B 15 72.918 36.113 -22.025 1.00 18.64 N ATOM 1228 CE2 TRP B 15 74.025 36.552 -21.355 1.00 18.06 C ATOM 1229 CE3 TRP B 15 75.239 38.623 -21.038 1.00 19.08 C ATOM 1230 CZ2 TRP B 15 74.902 35.881 -20.505 1.00 18.28 C ATOM 1231 CZ3 TRP B 15 76.127 37.941 -20.217 1.00 20.70 C ATOM 1232 CH2 TRP B 15 75.986 36.583 -19.941 1.00 15.03 C ATOM 1233 N GLY B 16 72.860 39.894 -26.367 1.00 17.28 N ATOM 1234 CA GLY B 16 72.484 39.196 -27.625 1.00 19.74 C ATOM 1235 C GLY B 16 73.693 38.898 -28.498 1.00 19.33 C ATOM 1236 O GLY B 16 73.624 38.071 -29.437 1.00 21.97 O ATOM 1237 N LYS B 17 74.804 39.545 -28.214 1.00 19.24 N ATOM 1238 CA LYS B 17 76.063 39.292 -28.923 1.00 17.54 C ATOM 1239 C LYS B 17 76.956 38.329 -28.124 1.00 25.02 C ATOM 1240 O LYS B 17 78.072 38.050 -28.617 1.00 26.55 O ATOM 1241 CB LYS B 17 76.881 40.574 -29.083 1.00 9.09