HEADER HYDROLASE 07-MAY-20 7C2A TITLE CRYSTAL STRUCTURE OF ALINE4, A SGNH-HYDROLASE FAMILY ESTERASE COMPND MOL_ID: 1; COMPND 2 MOLECULE: SGNH-HYDROLASE FAMILY ESTERASE; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: ALINE4; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ALTERERYTHROBACTER INDICUS; SOURCE 3 ORGANISM_TAXID: 374177; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS ESTERASE, SGNH-HYDROLASE FAMILY, MARINE, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR Z.LI,J.LI REVDAT 1 20-MAY-20 7C2A 0 SPRSDE 20-MAY-20 7C2A 6M43 JRNL AUTH Z.LI,J.LI JRNL TITL C-TERMINAL SWAPPED DIMERS REVEALED A NEW CATALYTIC MECHANISM JRNL TITL 2 OF SGNH-HYDROLASE FAMILY ESTERASES JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.18 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.14_3247 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.18 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 48.46 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.350 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.1 REMARK 3 NUMBER OF REFLECTIONS : 64602 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.177 REMARK 3 R VALUE (WORKING SET) : 0.176 REMARK 3 FREE R VALUE : 0.183 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 3.090 REMARK 3 FREE R VALUE TEST SET COUNT : 1999 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 48.4600 - 2.8400 1.00 4831 153 0.1677 0.1679 REMARK 3 2 2.8400 - 2.2600 1.00 4598 148 0.1745 0.1779 REMARK 3 3 2.2600 - 1.9700 1.00 4554 144 0.1666 0.1807 REMARK 3 4 1.9700 - 1.7900 1.00 4535 146 0.1659 0.1935 REMARK 3 5 1.7900 - 1.6600 1.00 4495 143 0.1727 0.1859 REMARK 3 6 1.6600 - 1.5600 1.00 4480 143 0.1747 0.2007 REMARK 3 7 1.5600 - 1.4900 1.00 4485 144 0.1741 0.1740 REMARK 3 8 1.4900 - 1.4200 1.00 4480 143 0.1844 0.1624 REMARK 3 9 1.4200 - 1.3700 1.00 4446 142 0.1896 0.1845 REMARK 3 10 1.3700 - 1.3200 0.99 4434 142 0.2005 0.2026 REMARK 3 11 1.3200 - 1.2800 1.00 4443 141 0.2045 0.2325 REMARK 3 12 1.2800 - 1.2400 0.99 4384 140 0.2119 0.1798 REMARK 3 13 1.2400 - 1.2100 0.98 4375 140 0.2235 0.2325 REMARK 3 14 1.2100 - 1.1800 0.91 4063 130 0.2353 0.2438 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.077 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 17.519 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 11.53 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 15.89 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.009 1596 REMARK 3 ANGLE : 1.064 2166 REMARK 3 CHIRALITY : 0.093 236 REMARK 3 PLANARITY : 0.008 295 REMARK 3 DIHEDRAL : 19.042 613 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 7C2A COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 10-MAY-20. REMARK 100 THE DEPOSITION ID IS D_1300016893. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 11-JUN-17 REMARK 200 TEMPERATURE (KELVIN) : 80 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRF REMARK 200 BEAMLINE : BL17U1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97931 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 64618 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.180 REMARK 200 RESOLUTION RANGE LOW (A) : 48.460 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.0 REMARK 200 DATA REDUNDANCY : 2.000 REMARK 200 R MERGE (I) : 0.07300 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 20.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.18 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.21 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.64500 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: PHENIX REMARK 200 STARTING MODEL: 4JGG REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 47.35 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.34 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1M SODIUM ACETATE, 100MM HEPES, PH REMARK 280 7.5, 50MM CADMIUM SULFATE, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 291.15K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 42 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -Y+1/2,X+1/2,Z+1/2 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/2 REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/2 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-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 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.89150 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.89150 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 30.50500 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.89150 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.89150 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 30.50500 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.89150 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.89150 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 30.50500 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.89150 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.89150 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 30.50500 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 316 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 501 LIES ON A SPECIAL POSITION. 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 LYS A 190 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 189 CG CD CE NZ REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 CE1 HIS A 165 O HOH A 301 2.15 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 450 O HOH A 498 2565 2.18 REMARK 500 REMARK 500 REMARK: NULL 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),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 PRO A 187 N PRO A 187 CA 0.218 REMARK 500 REMARK 500 REMARK: NULL 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 PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 PRO A 187 C - N - CA ANGL. DEV. = 15.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 12 -144.14 -116.40 REMARK 500 ASP A 12 -144.18 -116.40 REMARK 500 PRO A 119 0.21 -68.09 REMARK 500 ASP A 162 -91.34 -138.60 REMARK 500 ASP A 162 -91.34 -128.42 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 PRO A 119 -11.27 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 201 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 SER A 0 N REMARK 620 2 SER A 0 OG 73.2 REMARK 620 3 GLU A 91 OE1 111.7 64.0 REMARK 620 4 GLU A 91 OE2 111.6 62.7 1.5 REMARK 620 5 GLU A 173 OE1 147.9 97.7 40.6 41.2 REMARK 620 6 GLU A 173 OE1 147.7 96.0 39.4 40.0 1.7 REMARK 620 7 GLU A 173 OE2 148.0 95.9 39.5 40.0 2.0 0.4 REMARK 620 8 GLU A 173 OE2 148.3 98.2 41.1 41.7 0.5 2.2 2.4 REMARK 620 9 HOH A 326 O 154.0 81.2 59.2 58.6 40.1 39.1 38.7 40.1 REMARK 620 N 1 2 3 4 5 6 7 8 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 203 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 37 ND1 REMARK 620 2 ASN A 180 OD1 40.3 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD A 202 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 163 ND1 REMARK 620 2 HIS A 165 NE2 105.9 REMARK 620 3 ACT A 204 OXT 124.6 116.9 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CD A 203 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ACT A 204 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ACT A 205 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ACT A 206 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ACT A 207 DBREF1 7C2A A 0 190 UNP A0A4P1LYH5_9SPHN DBREF2 7C2A A A0A4P1LYH5 1 191 SEQRES 1 A 191 SER MET GLY GLU SER ARG VAL ILE LEU ALA PHE GLY ASP SEQRES 2 A 191 SER LEU PHE ALA GLY TYR GLY LEU ASP LYS GLY GLU SER SEQRES 3 A 191 TYR PRO ALA LYS LEU GLU THR ALA LEU ARG SER HIS GLY SEQRES 4 A 191 ILE ASN ALA ARG ILE ILE ASN ALA GLY VAL SER GLY ASP SEQRES 5 A 191 THR THR ALA ALA GLY LEU GLN ARG ILE LYS PHE VAL LEU SEQRES 6 A 191 ASP SER GLN PRO ASP LYS PRO GLU LEU ALA ILE VAL GLU SEQRES 7 A 191 LEU GLY GLY ASN ASP LEU LEU ARG GLY LEU SER PRO ALA SEQRES 8 A 191 GLU ALA ARG GLN ASN LEU SER GLY ILE LEU GLU GLU LEU SEQRES 9 A 191 GLN ARG ARG LYS ILE PRO ILE LEU LEU MET GLY MET ARG SEQRES 10 A 191 ALA PRO PRO ASN LEU GLY ALA LYS TYR GLN ARG GLU PHE SEQRES 11 A 191 ASP GLY ILE TYR PRO TYR LEU ALA GLU LYS TYR ASP ALA SEQRES 12 A 191 LYS LEU VAL PRO PHE PHE LEU GLU ALA VAL ALA ASP ARG SEQRES 13 A 191 PRO ASP LEU ILE GLN LYS ASP HIS VAL HIS PRO THR ALA SEQRES 14 A 191 ARG GLY VAL GLU GLU LEU VAL SER ALA THR SER ASN ALA SEQRES 15 A 191 VAL ALA LYS ALA LEU PRO ALA LYS LYS HET CD A 201 1 HET CD A 202 1 HET CD A 203 1 HET ACT A 204 4 HET ACT A 205 4 HET ACT A 206 4 HET ACT A 207 4 HETNAM CD CADMIUM ION HETNAM ACT ACETATE ION FORMUL 2 CD 3(CD 2+) FORMUL 5 ACT 4(C2 H3 O2 1-) FORMUL 9 HOH *221(H2 O) HELIX 1 AA1 ASP A 12 GLY A 17 1 6 HELIX 2 AA2 SER A 25 ARG A 35 1 11 HELIX 3 AA3 SER A 36 GLY A 38 5 3 HELIX 4 AA4 THR A 52 SER A 66 1 15 HELIX 5 AA5 GLY A 79 ARG A 85 1 7 HELIX 6 AA6 SER A 88 ARG A 106 1 19 HELIX 7 AA7 PRO A 118 LEU A 121 5 4 HELIX 8 AA8 GLY A 122 GLY A 131 1 10 HELIX 9 AA9 GLY A 131 TYR A 140 1 10 HELIX 10 AB1 LEU A 149 ALA A 153 5 5 HELIX 11 AB2 ARG A 155 ILE A 159 5 5 HELIX 12 AB3 THR A 167 LEU A 186 1 20 SHEET 1 AA1 5 ALA A 41 GLY A 47 0 SHEET 2 AA1 5 ARG A 5 GLY A 11 1 N ILE A 7 O ILE A 44 SHEET 3 AA1 5 LEU A 73 GLU A 77 1 O ILE A 75 N LEU A 8 SHEET 4 AA1 5 ILE A 110 MET A 113 1 O MET A 113 N VAL A 76 SHEET 5 AA1 5 LYS A 143 VAL A 145 1 O LYS A 143 N LEU A 112 LINK N SER A 0 CD CD A 201 1555 1555 2.46 LINK OG SER A 0 CD CD A 201 1555 1555 2.47 LINK ND1 HIS A 37 CD CD A 203 1555 1555 2.56 LINK ND1 HIS A 163 CD CD A 202 1555 1555 2.19 LINK NE2 HIS A 165 CD CD A 202 1555 1555 2.39 LINK CD CD A 202 OXT ACT A 204 1555 1555 2.65 LINK OE1 GLU A 91 CD CD A 201 1555 6555 2.65 LINK OE2 GLU A 91 CD CD A 201 1555 6555 2.20 LINK OE1AGLU A 173 CD CD A 201 1555 7565 2.40 LINK OE1BGLU A 173 CD CD A 201 1555 7565 2.56 LINK OE2AGLU A 173 CD CD A 201 1555 7565 2.22 LINK OE2BGLU A 173 CD CD A 201 1555 7565 2.09 LINK OD1 ASN A 180 CD CD A 203 1555 7565 2.66 LINK CD CD A 201 O HOH A 326 1555 7455 2.50 SITE 1 AC1 4 SER A 0 GLU A 91 GLU A 173 HOH A 326 SITE 1 AC2 6 SER A 13 HIS A 163 HIS A 165 ACT A 204 SITE 2 AC2 6 ACT A 205 HOH A 307 SITE 1 AC3 4 HIS A 37 ASN A 180 ACT A 207 HOH A 454 SITE 1 AC4 8 ASP A 12 SER A 13 ASN A 81 CD A 202 SITE 2 AC4 8 ACT A 205 HOH A 307 HOH A 311 HOH A 446 SITE 1 AC5 8 SER A 13 TYR A 18 HIS A 163 HIS A 165 SITE 2 AC5 8 CD A 202 ACT A 204 HOH A 301 HOH A 307 SITE 1 AC6 6 ARG A 5 GLY A 38 ALA A 188 LYS A 189 SITE 2 AC6 6 HOH A 392 HOH A 439 SITE 1 AC7 3 HIS A 37 ASN A 180 CD A 203 CRYST1 79.783 79.783 61.010 90.00 90.00 90.00 P 42 21 2 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 0.012534 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012534 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016391 0.00000 ATOM 1 N SER A 0 -25.147 6.729 8.388 1.00 12.65 N ATOM 2 CA SER A 0 -24.088 5.898 8.924 1.00 13.83 C ATOM 3 C SER A 0 -24.380 5.693 10.388 1.00 12.75 C ATOM 4 O SER A 0 -25.065 6.508 11.031 1.00 12.74 O ATOM 5 CB SER A 0 -22.732 6.590 8.809 1.00 16.52 C ATOM 6 OG SER A 0 -22.360 6.779 7.456 1.00 15.28 O ATOM 7 N AMET A 1 -23.828 4.616 10.924 0.59 14.30 N ATOM 8 N BMET A 1 -23.878 4.602 10.945 0.41 14.29 N ATOM 9 CA AMET A 1 -23.949 4.287 12.333 0.59 14.65 C ATOM 10 CA BMET A 1 -24.073 4.341 12.361 0.41 14.72 C ATOM 11 C AMET A 1 -22.862 4.983 13.139 0.59 14.46 C ATOM 12 C BMET A 1 -22.896 4.875 13.167 0.41 14.51 C ATOM 13 O AMET A 1 -21.760 5.239 12.642 0.59 15.94 O ATOM 14 O BMET A 1 -21.758 4.923 12.689 0.41 17.54 O ATOM 15 CB AMET A 1 -23.787 2.780 12.516 0.59 16.94 C ATOM 16 CB BMET A 1 -24.227 2.842 12.620 0.41 18.21 C ATOM 17 CG AMET A 1 -24.862 1.981 11.833 0.59 18.86 C ATOM 18 CG BMET A 1 -25.477 2.229 12.010 0.41 18.00 C ATOM 19 SD AMET A 1 -26.406 2.189 12.723 0.59 21.08 S ATOM 20 SD BMET A 1 -25.764 0.543 12.575 0.41 25.06 S ATOM 21 CE AMET A 1 -26.097 1.143 14.139 0.59 23.96 C ATOM 22 CE BMET A 1 -26.044 0.821 14.322 0.41 23.86 C ATOM 23 N GLY A 2 -23.185 5.301 14.385 1.00 12.69 N ATOM 24 CA GLY A 2 -22.150 5.515 15.371 1.00 14.43 C ATOM 25 C GLY A 2 -21.863 6.985 15.652 1.00 11.90 C ATOM 26 O GLY A 2 -22.086 7.878 14.831 1.00 13.02 O ATOM 27 N GLU A 3 -21.294 7.204 16.828 1.00 12.23 N ATOM 28 CA GLU A 3 -20.785 8.503 17.228 1.00 11.10 C ATOM 29 C GLU A 3 -19.647 8.930 16.310 1.00 10.88 C ATOM 30 O GLU A 3 -18.946 8.108 15.707 1.00 11.62 O ATOM 31 CB GLU A 3 -20.275 8.459 18.668 1.00 13.36 C ATOM 32 CG GLU A 3 -19.239 7.406 18.897 1.00 15.28 C ATOM 33 CD GLU A 3 -19.829 6.191 19.562 1.00 25.28 C ATOM 34 OE1 GLU A 3 -19.327 5.806 20.638 1.00 30.64 O ATOM 35 OE2 GLU A 3 -20.803 5.629 19.019 1.00 24.44 O ATOM 36 N SER A 4 -19.461 10.240 16.228 1.00 10.61 N ATOM 37 CA SER A 4 -18.453 10.812 15.353 1.00 11.36 C ATOM 38 C SER A 4 -17.038 10.544 15.861 1.00 11.00 C ATOM 39 O SER A 4 -16.801 10.365 17.061 1.00 12.37 O ATOM 40 CB SER A 4 -18.686 12.316 15.249 1.00 11.06 C ATOM 41 OG SER A 4 -19.955 12.580 14.678 1.00 11.47 O ATOM 42 N ARG A 5 -16.096 10.545 14.922 1.00 11.34 N ATOM 43 CA ARG A 5 -14.674 10.432 15.221 1.00 11.51 C ATOM 44 C ARG A 5 -14.122 11.777 15.675 1.00 12.03 C ATOM 45 O ARG A 5 -14.300 12.795 15.001 1.00 15.56 O ATOM 46 CB ARG A 5 -13.902 9.995 13.977 1.00 12.11 C ATOM 47 CG ARG A 5 -14.549 8.869 13.184 1.00 12.24 C ATOM 48 CD ARG A 5 -14.560 7.547 13.962 1.00 12.91 C ATOM 49 NE ARG A 5 -13.262 7.229 14.556 1.00 13.05 N ATOM 50 CZ ARG A 5 -12.245 6.698 13.879 1.00 13.15 C ATOM 51 NH1 ARG A 5 -12.353 6.428 12.584 1.00 14.02 N ATOM 52 NH2 ARG A 5 -11.097 6.454 14.503 1.00 14.93 N ATOM 53 N VAL A 6 -13.396 11.780 16.781 1.00 10.51 N ATOM 54 CA VAL A 6 -12.927 13.019 17.381 1.00 9.72 C ATOM 55 C VAL A 6 -11.516 13.334 16.903 1.00 10.06 C ATOM 56 O VAL A 6 -10.598 12.520 17.057 1.00 10.26 O ATOM 57 CB VAL A 6 -13.007 12.939 18.908 1.00 11.23 C ATOM 58 CG1 VAL A 6 -12.460 14.200 19.533 1.00 11.05 C ATOM 59 CG2 VAL A 6 -14.457 12.689 19.339 1.00 12.66 C ATOM 60 N ILE A 7 -11.337 14.523 16.334 1.00 9.57 N ATOM 61 CA ILE A 7 -10.041 14.986 15.851 1.00 8.50 C ATOM 62 C ILE A 7 -9.731 16.306 16.536 1.00 8.54 C ATOM 63 O ILE A 7 -10.580 17.197 16.575 1.00 10.80 O ATOM 64 CB ILE A 7 -10.033 15.173 14.321 1.00 9.65 C ATOM 65 CG1 ILE A 7 -10.394 13.861 13.614 1.00 9.53 C ATOM 66 CG2 ILE A 7 -8.681 15.717 13.855 1.00 10.23 C ATOM 67 CD1 ILE A 7 -10.570 13.989 12.110 1.00 11.84 C ATOM 68 N LEU A 8 -8.527 16.426 17.092 1.00 8.99 N ATOM 69 CA LEU A 8 -8.075 17.687 17.670 1.00 8.59 C ATOM 70 C LEU A 8 -7.312 18.488 16.620 1.00 8.89 C ATOM 71 O LEU A 8 -6.314 18.005 16.084 1.00 9.94 O ATOM 72 CB LEU A 8 -7.156 17.396 18.853 1.00 9.57 C ATOM 73 CG LEU A 8 -6.565 18.638 19.518 1.00 9.82 C ATOM 74 CD1 LEU A 8 -7.663 19.478 20.161 1.00 12.43 C ATOM 75 CD2 LEU A 8 -5.507 18.274 20.556 1.00 11.14 C ATOM 76 N ALA A 9 -7.771 19.701 16.331 1.00 8.51 N ATOM 77 CA ALA A 9 -7.062 20.623 15.443 1.00 8.69 C ATOM 78 C ALA A 9 -6.344 21.639 16.326 1.00 8.71 C ATOM 79 O ALA A 9 -6.948 22.595 16.812 1.00 9.45 O ATOM 80 CB ALA A 9 -8.037 21.282 14.469 1.00 9.43 C ATOM 81 N PHE A 10 -5.048 21.415 16.555 1.00 7.91 N ATOM 82 CA PHE A 10 -4.264 22.180 17.522 1.00 8.02 C ATOM 83 C PHE A 10 -3.341 23.106 16.742 1.00 7.82 C ATOM 84 O PHE A 10 -2.356 22.645 16.163 1.00 9.02 O ATOM 85 CB PHE A 10 -3.470 21.211 18.399 1.00 8.49 C ATOM 86 CG PHE A 10 -2.838 21.849 19.605 1.00 8.11 C ATOM 87 CD1 PHE A 10 -3.604 22.219 20.697 1.00 9.55 C ATOM 88 CD2 PHE A 10 -1.462 22.077 19.656 1.00 8.78 C ATOM 89 CE1 PHE A 10 -3.023 22.806 21.826 1.00 9.56 C ATOM 90 CE2 PHE A 10 -0.870 22.654 20.776 1.00 9.83 C ATOM 91 CZ PHE A 10 -1.647 23.023 21.857 1.00 10.18 C ATOM 92 N GLY A 11 -3.654 24.392 16.704 1.00 8.40 N ATOM 93 CA GLY A 11 -2.903 25.302 15.872 1.00 8.54 C ATOM 94 C GLY A 11 -3.095 26.753 16.213 1.00 8.45 C ATOM 95 O GLY A 11 -3.441 27.107 17.338 1.00 8.76 O ATOM 96 N ASP A 12 -2.847 27.595 15.215 1.00 9.15 N ATOM 97 CA ASP A 12 -2.827 29.042 15.394 1.00 9.69 C ATOM 98 C ASP A 12 -3.934 29.699 14.576 1.00 10.59 C ATOM 99 O ASP A 12 -5.020 29.126 14.444 1.00 10.52 O ATOM 100 CB ASP A 12 -1.428 29.625 15.117 1.00 10.06 C ATOM 101 CG ASP A 12 -0.890 29.252 13.755 1.00 10.21 C ATOM 102 OD1 ASP A 12 -1.708 29.065 12.823 1.00 10.90 O ATOM 103 OD2 ASP A 12 0.347 29.169 13.588 1.00 10.62 O ATOM 104 N ASER A 13 -3.681 30.885 14.024 0.50 10.58 N ATOM 105 N BSER A 13 -3.673 30.889 14.026 0.50 10.58 N ATOM 106 CA ASER A 13 -4.721 31.585 13.272 0.50 12.00 C ATOM 107 CA BSER A 13 -4.694 31.595 13.252 0.50 11.99 C ATOM 108 C ASER A 13 -5.171 30.825 12.031 0.50 11.71 C ATOM 109 C BSER A 13 -5.198 30.771 12.077 0.50 11.70 C ATOM 110 O ASER A 13 -6.280 31.075 11.540 0.50 12.68 O ATOM 111 O BSER A 13 -6.360 30.919 11.673 0.50 12.84 O ATOM 112 CB ASER A 13 -4.256 32.987 12.878 0.50 15.83 C ATOM 113 CB BSER A 13 -4.159 32.931 12.733 0.50 16.04 C ATOM 114 OG ASER A 13 -3.053 32.926 12.133 0.50 19.41 O ATOM 115 OG BSER A 13 -3.961 33.857 13.783 0.50 15.17 O ATOM 116 N LEU A 14 -4.347 29.917 11.506 1.00 10.86 N ATOM 117 CA LEU A 14 -4.756 29.133 10.346 1.00 12.06 C ATOM 118 C LEU A 14 -5.794 28.080 10.696 1.00 11.04 C ATOM 119 O LEU A 14 -6.507 27.606 9.802 1.00 13.71 O ATOM 120 CB LEU A 14 -3.539 28.480 9.691 1.00 13.25 C ATOM 121 CG LEU A 14 -2.428 29.414 9.213 1.00 14.88 C ATOM 122 CD1 LEU A 14 -1.297 28.611 8.597 1.00 15.87 C ATOM 123 CD2 LEU A 14 -2.962 30.418 8.196 1.00 18.33 C ATOM 124 N PHE A 15 -5.867 27.664 11.957 1.00 9.92 N ATOM 125 CA PHE A 15 -6.959 26.821 12.417 1.00 10.57 C ATOM 126 C PHE A 15 -8.084 27.623 13.056 1.00 11.61 C ATOM 127 O PHE A 15 -9.252 27.260 12.899 1.00 12.19 O ATOM 128 CB PHE A 15 -6.450 25.766 13.410 1.00 10.13 C ATOM 129 CG PHE A 15 -5.766 24.582 12.770 1.00 9.17 C ATOM 130 CD1 PHE A 15 -5.577 24.501 11.400 1.00 10.90 C ATOM 131 CD2 PHE A 15 -5.313 23.544 13.562 1.00 9.33 C ATOM 132 CE1 PHE A 15 -4.949 23.392 10.841 1.00 11.40 C ATOM 133 CE2 PHE A 15 -4.685 22.444 13.015 1.00 10.15 C ATOM 134 CZ PHE A 15 -4.514 22.359 11.650 1.00 10.86 C ATOM 135 N ALA A 16 -7.765 28.717 13.758 1.00 11.27 N ATOM 136 CA ALA A 16 -8.805 29.517 14.405 1.00 11.93 C ATOM 137 C ALA A 16 -9.753 30.156 13.398 1.00 14.45 C ATOM 138 O ALA A 16 -10.901 30.457 13.744 1.00 16.76 O ATOM 139 CB ALA A 16 -8.178 30.605 15.275 1.00 13.22 C ATOM 140 N GLY A 17 -9.299 30.394 12.171 1.00 13.45 N ATOM 141 CA GLY A 17 -10.135 31.029 11.166 1.00 14.15 C ATOM 142 C GLY A 17 -10.103 32.543 11.229 1.00 16.22 C ATOM 143 O GLY A 17 -11.129 33.201 11.022 1.00 16.52 O ATOM 144 N TYR A 18 -8.925 33.108 11.488 1.00 16.65 N ATOM 145 CA TYR A 18 -8.795 34.553 11.623 1.00 16.56 C ATOM 146 C TYR A 18 -9.274 35.257 10.358 1.00 19.83 C ATOM 147 O TYR A 18 -8.869 34.910 9.244 1.00 18.98 O ATOM 148 CB TYR A 18 -7.337 34.916 11.907 1.00 20.93 C ATOM 149 CG TYR A 18 -7.067 36.397 11.779 1.00 27.82 C ATOM 150 CD1 TYR A 18 -7.356 37.265 12.821 1.00 31.85 C ATOM 151 CD2 TYR A 18 -6.538 36.928 10.611 1.00 27.45 C ATOM 152 CE1 TYR A 18 -7.122 38.620 12.705 1.00 26.84 C ATOM 153 CE2 TYR A 18 -6.306 38.277 10.483 1.00 32.81 C ATOM 154 CZ TYR A 18 -6.595 39.120 11.534 1.00 31.47 C ATOM 155 OH TYR A 18 -6.354 40.470 11.409 1.00 40.91 O ATOM 156 N GLY A 19 -10.139 36.257 10.540 1.00 17.95 N ATOM 157 CA GLY A 19 -10.666 37.034 9.439 1.00 19.84 C ATOM 158 C GLY A 19 -11.821 36.399 8.706 1.00 18.16 C ATOM 159 O GLY A 19 -12.326 36.994 7.744 1.00 19.66 O ATOM 160 N LEU A 20 -12.268 35.224 9.126 1.00 17.48 N ATOM 161 CA LEU A 20 -13.321 34.498 8.435 1.00 18.34 C ATOM 162 C LEU A 20 -14.593 34.473 9.270 1.00 21.99 C ATOM 163 O LEU A 20 -14.583 34.732 10.478 1.00 24.46 O ATOM 164 CB LEU A 20 -12.882 33.064 8.121 1.00 16.75 C ATOM 165 CG LEU A 20 -11.603 32.958 7.299 1.00 15.57 C ATOM 166 CD1 LEU A 20 -11.212 31.506 7.128 1.00 15.35 C ATOM 167 CD2 LEU A 20 -11.779 33.644 5.947 1.00 17.94 C ATOM 168 N ASP A 21 -15.697 34.161 8.601 1.00 24.24 N ATOM 169 CA ASP A 21 -16.977 34.075 9.275 1.00 25.11 C ATOM 170 C ASP A 21 -17.165 32.685 9.872 1.00 24.90 C ATOM 171 O ASP A 21 -16.349 31.777 9.677 1.00 24.06 O ATOM 172 CB ASP A 21 -18.114 34.414 8.311 1.00 32.52 C ATOM 173 CG ASP A 21 -18.135 35.883 7.929 1.00 41.90 C ATOM 174 OD1 ASP A 21 -17.562 36.706 8.675 1.00 48.95 O ATOM 175 OD2 ASP A 21 -18.727 36.215 6.880 1.00 45.52 O ATOM 176 N LYS A 22 -18.258 32.533 10.617 1.00 25.90 N ATOM 177 CA LYS A 22 -18.546 31.274 11.287 1.00 29.53 C ATOM 178 C LYS A 22 -18.650 30.145 10.273 1.00 25.74 C ATOM 179 O LYS A 22 -19.309 30.277 9.240 1.00 28.38 O ATOM 180 CB LYS A 22 -19.860 31.396 12.067 1.00 32.57 C ATOM 181 CG LYS A 22 -19.938 30.505 13.295 1.00 38.61 C ATOM 182 CD LYS A 22 -20.520 31.255 14.491 1.00 44.87 C ATOM 183 CE LYS A 22 -21.597 32.256 14.073 1.00 54.04 C ATOM 184 NZ LYS A 22 -22.045 33.109 15.214 1.00 64.31 N ATOM 185 N GLY A 23 -17.977 29.037 10.564 1.00 19.93 N ATOM 186 CA GLY A 23 -18.030 27.870 9.716 1.00 18.92 C ATOM 187 C GLY A 23 -17.083 27.882 8.539 1.00 14.19 C ATOM 188 O GLY A 23 -17.047 26.900 7.790 1.00 17.24 O ATOM 189 N GLU A 24 -16.310 28.950 8.354 1.00 15.31 N ATOM 190 CA GLU A 24 -15.387 29.042 7.233 1.00 13.22 C ATOM 191 C GLU A 24 -13.962 28.622 7.572 1.00 12.38 C ATOM 192 O GLU A 24 -13.137 28.525 6.661 1.00 12.55 O ATOM 193 CB GLU A 24 -15.376 30.465 6.667 1.00 15.82 C ATOM 194 CG GLU A 24 -16.715 30.904 6.075 1.00 18.16 C ATOM 195 CD GLU A 24 -16.688 32.318 5.526 1.00 21.59 C ATOM 196 OE1 GLU A 24 -15.875 33.134 6.001 1.00 19.23 O ATOM 197 OE2 GLU A 24 -17.484 32.614 4.611 1.00 24.99 O ATOM 198 N SER A 25 -13.652 28.358 8.839 1.00 12.17 N ATOM 199 CA SER A 25 -12.286 28.000 9.199 1.00 10.99 C ATOM 200 C SER A 25 -11.918 26.639 8.630 1.00 11.07 C ATOM 201 O SER A 25 -12.772 25.813 8.298 1.00 11.96 O ATOM 202 CB SER A 25 -12.121 27.950 10.719 1.00 14.16 C ATOM 203 OG SER A 25 -12.766 26.815 11.276 1.00 13.34 O ATOM 204 N TYR A 26 -10.611 26.417 8.526 1.00 10.84 N ATOM 205 CA TYR A 26 -10.096 25.136 8.052 1.00 10.14 C ATOM 206 C TYR A 26 -10.649 23.941 8.822 1.00 9.48 C ATOM 207 O TYR A 26 -11.091 22.977 8.177 1.00 9.57 O ATOM 208 CB TYR A 26 -8.561 25.176 7.965 1.00 10.35 C ATOM 209 CG TYR A 26 -7.959 23.841 7.613 1.00 8.86 C ATOM 210 CD1 TYR A 26 -7.614 22.929 8.601 1.00 9.55 C ATOM 211 CD2 TYR A 26 -7.746 23.486 6.294 1.00 9.34 C ATOM 212 CE1 TYR A 26 -7.086 21.712 8.285 1.00 9.33 C ATOM 213 CE2 TYR A 26 -7.216 22.263 5.972 1.00 9.57 C ATOM 214 CZ TYR A 26 -6.882 21.373 6.971 1.00 9.34 C ATOM 215 OH TYR A 26 -6.347 20.138 6.711 1.00 10.34 O ATOM 216 N PRO A 27 -10.663 23.923 10.164 1.00 9.31 N ATOM 217 CA PRO A 27 -11.226 22.748 10.853 1.00 9.89 C ATOM 218 C PRO A 27 -12.690 22.511 10.525 1.00 9.47 C ATOM 219 O PRO A 27 -13.097 21.354 10.334 1.00 10.97 O ATOM 220 CB PRO A 27 -10.964 23.052 12.336 1.00 10.78 C ATOM 221 CG PRO A 27 -9.759 23.959 12.301 1.00 10.97 C ATOM 222 CD PRO A 27 -10.012 24.840 11.115 1.00 9.97 C ATOM 223 N ALA A 28 -13.486 23.579 10.434 1.00 11.25 N ATOM 224 CA ALA A 28 -14.904 23.414 10.121 1.00 12.57 C ATOM 225 C ALA A 28 -15.105 22.874 8.711 1.00 11.82 C ATOM 226 O ALA A 28 -15.930 21.978 8.489 1.00 12.19 O ATOM 227 CB ALA A 28 -15.643 24.742 10.290 1.00 13.52 C ATOM 228 N LYS A 29 -14.366 23.407 7.739 1.00 10.23 N ATOM 229 CA LYS A 29 -14.533 22.936 6.372 1.00 11.02 C ATOM 230 C LYS A 29 -13.938 21.551 6.189 1.00 9.77 C ATOM 231 O LYS A 29 -14.453 20.752 5.397 1.00 11.01 O ATOM 232 CB LYS A 29 -13.930 23.943 5.391 1.00 11.59 C ATOM 233 CG LYS A 29 -14.756 25.222 5.255 1.00 12.79 C ATOM 234 CD LYS A 29 -16.106 24.933 4.590 1.00 16.92 C ATOM 235 CE LYS A 29 -16.957 26.183 4.412 1.00 20.05 C ATOM 236 NZ LYS A 29 -16.440 27.115 3.369 1.00 18.11 N ATOM 237 N LEU A 30 -12.861 21.240 6.920 1.00 9.45 N ATOM 238 CA LEU A 30 -12.307 19.896 6.879 1.00 9.11 C ATOM 239 C LEU A 30 -13.306 18.877 7.412 1.00 9.78 C ATOM 240 O LEU A 30 -13.457 17.790 6.850 1.00 10.06 O ATOM 241 CB LEU A 30 -11.014 19.850 7.690 1.00 9.77 C ATOM 242 CG LEU A 30 -10.344 18.498 7.897 1.00 9.57 C ATOM 243 CD1 LEU A 30 -9.900 17.913 6.575 1.00 10.73 C ATOM 244 CD2 LEU A 30 -9.166 18.666 8.841 1.00 10.19 C ATOM 245 N GLU A 31 -13.994 19.213 8.498 1.00 9.70 N ATOM 246 CA GLU A 31 -14.998 18.312 9.047 1.00 11.44 C ATOM 247 C GLU A 31 -16.032 17.939 7.991 1.00 11.45 C ATOM 248 O GLU A 31 -16.371 16.762 7.823 1.00 13.49 O ATOM 249 CB GLU A 31 -15.663 18.971 10.250 1.00 12.81 C ATOM 250 CG GLU A 31 -16.646 18.069 10.952 1.00 13.30 C ATOM 251 CD GLU A 31 -17.217 18.692 12.212 1.00 13.30 C ATOM 252 OE1 GLU A 31 -16.457 19.070 13.135 1.00 14.17 O ATOM 253 OE2 GLU A 31 -18.455 18.805 12.289 1.00 18.60 O ATOM 254 N THR A 32 -16.530 18.930 7.254 1.00 11.34 N ATOM 255 CA THR A 32 -17.511 18.649 6.213 1.00 13.90 C ATOM 256 C THR A 32 -16.910 17.804 5.098 1.00 12.93 C ATOM 257 O THR A 32 -17.542 16.847 4.626 1.00 13.07 O ATOM 258 CB THR A 32 -18.060 19.961 5.660 1.00 13.83 C ATOM 259 OG1 THR A 32 -18.703 20.685 6.710 1.00 19.55 O ATOM 260 CG2 THR A 32 -19.062 19.696 4.546 1.00 17.85 C ATOM 261 N ALA A 33 -15.683 18.122 4.680 1.00 11.30 N ATOM 262 CA ALA A 33 -15.053 17.403 3.576 1.00 11.60 C ATOM 263 C ALA A 33 -14.796 15.939 3.909 1.00 10.47 C ATOM 264 O ALA A 33 -14.852 15.081 3.019 1.00 11.91 O ATOM 265 CB ALA A 33 -13.745 18.092 3.194 1.00 11.94 C ATOM 266 N LEU A 34 -14.539 15.624 5.177 1.00 10.15 N ATOM 267 CA LEU A 34 -14.284 14.239 5.537 1.00 10.31 C ATOM 268 C LEU A 34 -15.493 13.339 5.300 1.00 9.56 C ATOM 269 O LEU A 34 -15.314 12.127 5.151 1.00 9.85 O ATOM 270 CB LEU A 34 -13.791 14.150 6.979 1.00 9.64 C ATOM 271 CG LEU A 34 -12.353 14.643 7.189 1.00 11.04 C ATOM 272 CD1 LEU A 34 -12.011 14.686 8.664 1.00 11.74 C ATOM 273 CD2 LEU A 34 -11.329 13.800 6.444 1.00 12.82 C ATOM 274 N ARG A 35 -16.707 13.902 5.265 1.00 10.46 N ATOM 275 CA ARG A 35 -17.879 13.096 4.915 1.00 12.58 C ATOM 276 C ARG A 35 -17.687 12.393 3.581 1.00 13.50 C ATOM 277 O ARG A 35 -18.162 11.265 3.397 1.00 16.19 O ATOM 278 CB ARG A 35 -19.131 13.970 4.849 1.00 14.44 C ATOM 279 CG ARG A 35 -19.591 14.567 6.166 1.00 18.34 C ATOM 280 CD ARG A 35 -20.794 15.472 5.921 1.00 26.63 C ATOM 281 NE ARG A 35 -20.928 16.520 6.926 1.00 34.69 N ATOM 282 CZ ARG A 35 -21.734 17.569 6.799 1.00 38.68 C ATOM 283 NH1 ARG A 35 -22.475 17.708 5.707 1.00 37.65 N ATOM 284 NH2 ARG A 35 -21.800 18.479 7.762 1.00 45.14 N ATOM 285 N SER A 36 -16.979 13.030 2.648 1.00 11.94 N ATOM 286 CA SER A 36 -16.738 12.467 1.325 1.00 13.50 C ATOM 287 C SER A 36 -15.678 11.383 1.349 1.00 13.70 C ATOM 288 O SER A 36 -15.441 10.747 0.311 1.00 16.49 O ATOM 289 CB SER A 36 -16.333 13.577 0.353 1.00 16.63 C ATOM 290 OG SER A 36 -17.408 14.482 0.152 1.00 20.60 O ATOM 291 N HIS A 37 -15.031 11.175 2.493 1.00 11.62 N ATOM 292 CA HIS A 37 -14.125 10.059 2.702 1.00 13.02 C ATOM 293 C HIS A 37 -14.757 8.984 3.567 1.00 12.50 C ATOM 294 O HIS A 37 -14.041 8.133 4.103 1.00 14.52 O ATOM 295 CB HIS A 37 -12.821 10.549 3.337 1.00 13.27 C ATOM 296 CG HIS A 37 -12.094 11.558 2.507 1.00 13.05 C ATOM 297 ND1 HIS A 37 -10.932 11.262 1.832 1.00 15.94 N ATOM 298 CD2 HIS A 37 -12.379 12.849 2.213 1.00 15.21 C ATOM 299 CE1 HIS A 37 -10.518 12.331 1.178 1.00 14.15 C ATOM 300 NE2 HIS A 37 -11.380 13.307 1.386 1.00 14.82 N ATOM 301 N GLY A 38 -16.076 9.032 3.745 1.00 12.04 N ATOM 302 CA GLY A 38 -16.761 8.070 4.585 1.00 13.19 C ATOM 303 C GLY A 38 -16.599 8.286 6.072 1.00 12.32 C ATOM 304 O GLY A 38 -16.801 7.345 6.842 1.00 14.41 O ATOM 305 N ILE A 39 -16.259 9.500 6.508 1.00 11.52 N ATOM 306 CA ILE A 39 -15.931 9.784 7.903 1.00 11.52 C ATOM 307 C ILE A 39 -16.874 10.849 8.433 1.00 10.34 C ATOM 308 O ILE A 39 -16.986 11.932 7.852 1.00 11.65 O ATOM 309 CB ILE A 39 -14.472 10.262 8.046 1.00 11.58 C ATOM 310 CG1 ILE A 39 -13.510 9.141 7.674 1.00 11.87 C ATOM 311 CG2 ILE A 39 -14.201 10.784 9.464 1.00 12.52 C ATOM 312 CD1 ILE A 39 -12.103 9.619 7.352 1.00 14.39 C ATOM 313 N ASN A 40 -17.525 10.556 9.567 1.00 11.14 N ATOM 314 CA ASN A 40 -18.231 11.559 10.355 1.00 11.15 C ATOM 315 C ASN A 40 -17.301 11.948 11.493 1.00 11.12 C ATOM 316 O ASN A 40 -17.089 11.161 12.424 1.00 10.47 O ATOM 317 CB ASN A 40 -19.543 11.013 10.910 1.00 12.66 C ATOM 318 CG ASN A 40 -20.647 11.003 9.878 1.00 13.60 C ATOM 319 OD1 ASN A 40 -20.847 11.978 9.155 1.00 19.34 O ATOM 320 ND2 ASN A 40 -21.365 9.891 9.798 1.00 14.32 N ATOM 321 N ALA A 41 -16.733 13.145 11.407 1.00 11.72 N ATOM 322 CA ALA A 41 -15.799 13.649 12.399 1.00 11.08 C ATOM 323 C ALA A 41 -16.425 14.788 13.187 1.00 13.37 C ATOM 324 O ALA A 41 -17.312 15.501 12.703 1.00 14.63 O ATOM 325 CB ALA A 41 -14.518 14.146 11.727 1.00 16.22 C ATOM 326 N ARG A 42 -15.971 14.933 14.421 1.00 10.48 N ATOM 327 CA ARG A 42 -16.178 16.133 15.212 1.00 10.74 C ATOM 328 C ARG A 42 -14.783 16.689 15.418 1.00 10.56 C ATOM 329 O ARG A 42 -13.962 16.068 16.101 1.00 11.93 O ATOM 330 CB ARG A 42 -16.815 15.808 16.559 1.00 11.94 C ATOM 331 CG ARG A 42 -16.955 17.030 17.443 1.00 13.55 C ATOM 332 CD ARG A 42 -17.815 16.784 18.677 1.00 17.34 C ATOM 333 NE ARG A 42 -17.182 15.968 19.716 1.00 16.25 N ATOM 334 CZ ARG A 42 -16.267 16.410 20.577 1.00 19.06 C ATOM 335 NH1 ARG A 42 -15.828 17.661 20.512 1.00 16.81 N ATOM 336 NH2 ARG A 42 -15.787 15.596 21.509 1.00 16.59 N ATOM 337 N ILE A 43 -14.488 17.812 14.784 1.00 10.36 N ATOM 338 CA ILE A 43 -13.157 18.387 14.869 1.00 10.64 C ATOM 339 C ILE A 43 -13.173 19.483 15.915 1.00 11.77 C ATOM 340 O ILE A 43 -13.879 20.490 15.772 1.00 14.54 O ATOM 341 CB ILE A 43 -12.653 18.885 13.510 1.00 11.07 C ATOM 342 CG1 ILE A 43 -12.714 17.731 12.503 1.00 11.64 C ATOM 343 CG2 ILE A 43 -11.226 19.403 13.663 1.00 11.46 C ATOM 344 CD1 ILE A 43 -12.006 17.993 11.191 1.00 11.64 C ATOM 345 N ILE A 44 -12.391 19.272 16.971 1.00 10.01 N ATOM 346 CA ILE A 44 -12.200 20.256 18.028 1.00 11.09 C ATOM 347 C ILE A 44 -11.316 21.356 17.471 1.00 9.84 C ATOM 348 O ILE A 44 -10.152 21.114 17.125 1.00 11.01 O ATOM 349 CB ILE A 44 -11.502 19.620 19.238 1.00 11.20 C ATOM 350 CG1 ILE A 44 -12.216 18.372 19.736 1.00 13.68 C ATOM 351 CG2 ILE A 44 -11.323 20.637 20.354 1.00 13.46 C ATOM 352 CD1 ILE A 44 -11.256 17.432 20.427 1.00 14.26 C ATOM 353 N ASN A 45 -11.841 22.568 17.398 1.00 10.55 N ATOM 354 CA ASN A 45 -11.037 23.687 16.923 1.00 9.99 C ATOM 355 C ASN A 45 -10.285 24.261 18.113 1.00 10.71 C ATOM 356 O ASN A 45 -10.817 25.074 18.877 1.00 13.32 O ATOM 357 CB ASN A 45 -11.884 24.736 16.215 1.00 12.28 C ATOM 358 CG ASN A 45 -11.030 25.731 15.472 1.00 11.74 C ATOM 359 OD1 ASN A 45 -9.880 25.974 15.863 1.00 13.89 O ATOM 360 ND2 ASN A 45 -11.556 26.305 14.404 1.00 12.41 N ATOM 361 N ALA A 46 -9.041 23.816 18.273 1.00 10.11 N ATOM 362 CA ALA A 46 -8.127 24.358 19.266 1.00 10.31 C ATOM 363 C ALA A 46 -7.108 25.284 18.622 1.00 10.84 C ATOM 364 O ALA A 46 -5.949 25.335 19.043 1.00 11.68 O ATOM 365 CB ALA A 46 -7.459 23.246 20.072 1.00 11.18 C ATOM 366 N GLY A 47 -7.523 26.011 17.591 1.00 10.11 N ATOM 367 CA GLY A 47 -6.689 27.055 17.043 1.00 10.41 C ATOM 368 C GLY A 47 -6.790 28.306 17.897 1.00 10.61 C ATOM 369 O GLY A 47 -7.872 28.702 18.338 1.00 13.32 O ATOM 370 N VAL A 48 -5.637 28.910 18.168 1.00 10.55 N ATOM 371 CA VAL A 48 -5.574 30.162 18.911 1.00 10.84 C ATOM 372 C VAL A 48 -4.728 31.124 18.098 1.00 10.63 C ATOM 373 O VAL A 48 -3.546 30.857 17.844 1.00 10.64 O ATOM 374 CB VAL A 48 -4.978 29.981 20.313 1.00 11.81 C ATOM 375 CG1 VAL A 48 -4.820 31.330 20.991 1.00 14.14 C ATOM 376 CG2 VAL A 48 -5.876 29.084 21.135 1.00 12.65 C ATOM 377 N SER A 49 -5.334 32.228 17.672 1.00 11.87 N ATOM 378 CA SER A 49 -4.617 33.228 16.845 1.00 13.68 C ATOM 379 C SER A 49 -3.378 33.735 17.589 1.00 13.88 C ATOM 380 O SER A 49 -3.483 34.009 18.786 1.00 15.77 O ATOM 381 CB SER A 49 -5.536 34.347 16.444 1.00 14.37 C ATOM 382 OG SER A 49 -6.523 33.859 15.549 1.00 18.56 O ATOM 383 N GLY A 50 -2.246 33.805 16.887 1.00 15.76 N ATOM 384 CA GLY A 50 -0.988 34.320 17.465 1.00 16.42 C ATOM 385 C GLY A 50 -0.222 33.315 18.309 1.00 13.49 C ATOM 386 O GLY A 50 0.851 33.674 18.792 1.00 15.70 O ATOM 387 N ASP A 51 -0.722 32.090 18.461 1.00 11.73 N ATOM 388 CA ASP A 51 -0.005 31.099 19.303 1.00 11.00 C ATOM 389 C ASP A 51 1.358 30.748 18.702 1.00 10.33 C ATOM 390 O ASP A 51 1.434 30.373 17.530 1.00 10.81 O ATOM 391 CB ASP A 51 -0.778 29.785 19.427 1.00 11.14 C ATOM 392 CG ASP A 51 -1.262 29.490 20.836 1.00 11.19 C ATOM 393 OD1 ASP A 51 -1.542 30.448 21.571 1.00 13.03 O ATOM 394 OD2 ASP A 51 -1.369 28.311 21.164 1.00 12.42 O ATOM 395 N THR A 52 2.398 30.875 19.517 1.00 9.82 N ATOM 396 CA THR A 52 3.745 30.403 19.123 1.00 10.29 C ATOM 397 C THR A 52 3.855 28.933 19.552 1.00 9.36 C ATOM 398 O THR A 52 2.951 28.410 20.226 1.00 9.10 O ATOM 399 CB THR A 52 4.820 31.163 19.907 1.00 11.20 C ATOM 400 OG1 THR A 52 4.507 30.983 21.289 1.00 11.18 O ATOM 401 CG2 THR A 52 4.874 32.638 19.570 1.00 12.41 C ATOM 402 N THR A 53 4.927 28.264 19.147 1.00 8.97 N ATOM 403 CA THR A 53 5.163 26.908 19.635 1.00 9.03 C ATOM 404 C THR A 53 5.220 26.867 21.160 1.00 8.48 C ATOM 405 O THR A 53 4.731 25.919 21.776 1.00 9.21 O ATOM 406 CB THR A 53 6.426 26.306 19.010 1.00 9.45 C ATOM 407 OG1 THR A 53 7.587 27.067 19.402 1.00 9.63 O ATOM 408 CG2 THR A 53 6.314 26.223 17.479 1.00 10.16 C ATOM 409 N ALA A 54 5.811 27.886 21.793 1.00 9.54 N ATOM 410 CA ALA A 54 5.848 27.900 23.254 1.00 9.11 C ATOM 411 C ALA A 54 4.448 28.028 23.840 1.00 9.11 C ATOM 412 O ALA A 54 4.121 27.367 24.829 1.00 9.22 O ATOM 413 CB ALA A 54 6.739 29.032 23.769 1.00 9.98 C ATOM 414 N ALA A 55 3.610 28.879 23.244 1.00 8.60 N ATOM 415 CA ALA A 55 2.237 28.997 23.723 1.00 9.99 C ATOM 416 C ALA A 55 1.490 27.677 23.576 1.00 8.35 C ATOM 417 O ALA A 55 0.728 27.275 24.463 1.00 9.44 O ATOM 418 CB ALA A 55 1.508 30.133 23.001 1.00 11.14 C ATOM 419 N GLY A 56 1.699 26.982 22.458 1.00 9.09 N ATOM 420 CA GLY A 56 1.061 25.690 22.288 1.00 9.56 C ATOM 421 C GLY A 56 1.529 24.685 23.318 1.00 8.62 C ATOM 422 O GLY A 56 0.730 23.943 23.889 1.00 9.56 O ATOM 423 N LEU A 57 2.836 24.653 23.581 1.00 9.72 N ATOM 424 CA LEU A 57 3.358 23.757 24.608 1.00 9.85 C ATOM 425 C LEU A 57 2.768 24.077 25.975 1.00 9.12 C ATOM 426 O LEU A 57 2.481 23.173 26.761 1.00 10.44 O ATOM 427 CB LEU A 57 4.882 23.841 24.626 1.00 9.72 C ATOM 428 CG LEU A 57 5.618 23.009 25.674 1.00 11.05 C ATOM 429 CD1 LEU A 57 5.304 21.530 25.528 1.00 12.88 C ATOM 430 CD2 LEU A 57 7.111 23.264 25.568 1.00 13.73 C ATOM 431 N GLN A 58 2.566 25.361 26.260 1.00 9.01 N ATOM 432 CA GLN A 58 2.030 25.760 27.554 1.00 9.91 C ATOM 433 C GLN A 58 0.619 25.234 27.783 1.00 9.78 C ATOM 434 O GLN A 58 0.231 24.991 28.934 1.00 11.45 O ATOM 435 CB GLN A 58 2.040 27.278 27.661 1.00 10.65 C ATOM 436 CG GLN A 58 1.747 27.788 29.064 1.00 11.60 C ATOM 437 CD GLN A 58 2.895 27.504 30.016 1.00 13.33 C ATOM 438 OE1 GLN A 58 4.061 27.623 29.643 1.00 16.36 O ATOM 439 NE2 GLN A 58 2.575 27.125 31.244 1.00 18.26 N ATOM 440 N ARG A 59 -0.161 25.036 26.718 1.00 9.50 N ATOM 441 CA ARG A 59 -1.572 24.687 26.848 1.00 9.44 C ATOM 442 C ARG A 59 -1.924 23.276 26.406 1.00 9.62 C ATOM 443 O ARG A 59 -3.078 22.879 26.586 1.00 10.17 O ATOM 444 CB ARG A 59 -2.495 25.708 26.159 1.00 8.89 C ATOM 445 CG ARG A 59 -2.390 25.722 24.653 1.00 10.07 C ATOM 446 CD ARG A 59 -3.444 26.643 24.011 1.00 11.66 C ATOM 447 NE ARG A 59 -3.137 26.811 22.591 1.00 10.49 N ATOM 448 CZ ARG A 59 -3.844 26.301 21.583 1.00 10.61 C ATOM 449 NH1 ARG A 59 -4.968 25.641 21.815 1.00 11.11 N ATOM 450 NH2 ARG A 59 -3.429 26.469 20.337 1.00 10.61 N ATOM 451 N ILE A 60 -0.991 22.496 25.852 1.00 9.56 N ATOM 452 CA ILE A 60 -1.389 21.212 25.272 1.00 9.73 C ATOM 453 C ILE A 60 -2.022 20.289 26.315 1.00 9.79 C ATOM 454 O ILE A 60 -3.043 19.648 26.048 1.00 10.01 O ATOM 455 CB ILE A 60 -0.246 20.547 24.480 1.00 9.91 C ATOM 456 CG1 ILE A 60 -0.728 19.225 23.859 1.00 10.50 C ATOM 457 CG2 ILE A 60 0.986 20.291 25.358 1.00 11.50 C ATOM 458 CD1 ILE A 60 -1.836 19.352 22.798 1.00 11.08 C ATOM 459 N ALYS A 61 -1.437 20.203 27.509 0.45 9.79 N ATOM 460 N BLYS A 61 -1.429 20.195 27.508 0.55 9.79 N ATOM 461 CA ALYS A 61 -2.012 19.323 28.522 0.45 10.12 C ATOM 462 CA BLYS A 61 -2.003 19.331 28.539 0.55 10.17 C ATOM 463 C ALYS A 61 -3.403 19.785 28.938 0.45 8.99 C ATOM 464 C BLYS A 61 -3.405 19.788 28.924 0.55 8.99 C ATOM 465 O ALYS A 61 -4.319 18.968 29.081 0.45 10.05 O ATOM 466 O BLYS A 61 -4.326 18.973 29.041 0.55 10.04 O ATOM 467 CB ALYS A 61 -1.085 19.235 29.731 0.45 11.82 C ATOM 468 CB BLYS A 61 -1.102 19.304 29.775 0.55 11.86 C ATOM 469 CG ALYS A 61 -1.632 18.397 30.862 0.45 13.73 C ATOM 470 CG BLYS A 61 0.093 18.363 29.689 0.55 11.61 C ATOM 471 CD ALYS A 61 -0.686 18.403 32.046 0.45 14.96 C ATOM 472 CD BLYS A 61 0.919 18.440 30.977 0.55 15.99 C ATOM 473 CE ALYS A 61 -1.411 18.004 33.318 0.45 16.63 C ATOM 474 CE BLYS A 61 2.146 17.537 30.940 0.55 19.57 C ATOM 475 NZ ALYS A 61 -2.277 16.816 33.105 0.45 16.10 N ATOM 476 NZ BLYS A 61 1.797 16.096 31.030 0.55 17.93 N ATOM 477 N PHE A 62 -3.581 21.092 29.129 1.00 9.40 N ATOM 478 CA PHE A 62 -4.889 21.616 29.505 1.00 9.53 C ATOM 479 C PHE A 62 -5.925 21.329 28.429 1.00 9.81 C ATOM 480 O PHE A 62 -7.056 20.932 28.729 1.00 9.90 O ATOM 481 CB PHE A 62 -4.783 23.126 29.732 1.00 10.85 C ATOM 482 CG PHE A 62 -6.093 23.778 30.075 1.00 10.13 C ATOM 483 CD1 PHE A 62 -6.545 23.787 31.385 1.00 12.51 C ATOM 484 CD2 PHE A 62 -6.879 24.371 29.104 1.00 13.72 C ATOM 485 CE1 PHE A 62 -7.741 24.379 31.721 1.00 16.18 C ATOM 486 CE2 PHE A 62 -8.087 24.966 29.442 1.00 15.72 C ATOM 487 CZ PHE A 62 -8.518 24.963 30.752 1.00 16.57 C ATOM 488 N VAL A 63 -5.563 21.545 27.164 1.00 9.27 N ATOM 489 CA VAL A 63 -6.496 21.295 26.066 1.00 8.70 C ATOM 490 C VAL A 63 -6.904 19.829 26.039 1.00 9.39 C ATOM 491 O VAL A 63 -8.088 19.501 25.901 1.00 10.37 O ATOM 492 CB VAL A 63 -5.888 21.769 24.730 1.00 9.01 C ATOM 493 CG1 VAL A 63 -6.702 21.259 23.556 1.00 10.33 C ATOM 494 CG2 VAL A 63 -5.812 23.285 24.700 1.00 10.10 C ATOM 495 N LEU A 64 -5.944 18.926 26.195 1.00 9.22 N ATOM 496 CA LEU A 64 -6.269 17.502 26.200 1.00 10.42 C ATOM 497 C LEU A 64 -7.114 17.123 27.412 1.00 10.76 C ATOM 498 O LEU A 64 -8.103 16.388 27.286 1.00 10.85 O ATOM 499 CB LEU A 64 -4.983 16.686 26.164 1.00 9.47 C ATOM 500 CG LEU A 64 -4.230 16.790 24.839 1.00 9.63 C ATOM 501 CD1 LEU A 64 -2.842 16.205 24.978 1.00 11.39 C ATOM 502 CD2 LEU A 64 -5.001 16.088 23.708 1.00 10.46 C ATOM 503 N ASP A 65 -6.749 17.624 28.594 1.00 9.46 N ATOM 504 CA ASP A 65 -7.493 17.321 29.813 1.00 9.38 C ATOM 505 C ASP A 65 -8.889 17.919 29.794 1.00 10.08 C ATOM 506 O ASP A 65 -9.751 17.471 30.560 1.00 12.93 O ATOM 507 CB ASP A 65 -6.741 17.863 31.036 1.00 11.16 C ATOM 508 CG ASP A 65 -5.462 17.109 31.339 1.00 11.18 C ATOM 509 OD1 ASP A 65 -5.232 16.014 30.791 1.00 12.67 O ATOM 510 OD2 ASP A 65 -4.674 17.628 32.156 1.00 13.57 O ATOM 511 N SER A 66 -9.127 18.931 28.966 1.00 10.74 N ATOM 512 CA SER A 66 -10.441 19.543 28.878 1.00 11.54 C ATOM 513 C SER A 66 -11.404 18.759 28.005 1.00 12.55 C ATOM 514 O SER A 66 -12.596 19.087 27.995 1.00 15.02 O ATOM 515 CB SER A 66 -10.329 20.964 28.330 1.00 12.60 C ATOM 516 OG SER A 66 -9.635 21.791 29.240 1.00 13.63 O ATOM 517 N GLN A 67 -10.933 17.746 27.287 1.00 10.27 N ATOM 518 CA GLN A 67 -11.776 17.072 26.302 1.00 11.22 C ATOM 519 C GLN A 67 -12.652 16.025 26.969 1.00 12.80 C ATOM 520 O GLN A 67 -12.134 15.151 27.667 1.00 13.41 O ATOM 521 CB GLN A 67 -10.900 16.382 25.266 1.00 11.44 C ATOM 522 CG GLN A 67 -10.087 17.341 24.436 1.00 11.13 C ATOM 523 CD GLN A 67 -10.925 18.490 23.940 1.00 11.85 C ATOM 524 OE1 GLN A 67 -12.017 18.291 23.388 1.00 13.18 O ATOM 525 NE2 GLN A 67 -10.437 19.700 24.127 1.00 12.81 N ATOM 526 N PRO A 68 -13.968 16.044 26.742 1.00 12.94 N ATOM 527 CA PRO A 68 -14.786 14.915 27.207 1.00 13.60 C ATOM 528 C PRO A 68 -14.459 13.623 26.488 1.00 12.62 C ATOM 529 O PRO A 68 -14.557 12.545 27.087 1.00 14.15 O ATOM 530 CB PRO A 68 -16.226 15.372 26.931 1.00 16.79 C ATOM 531 CG PRO A 68 -16.140 16.863 26.762 1.00 22.69 C ATOM 532 CD PRO A 68 -14.782 17.125 26.173 1.00 13.70 C ATOM 533 N ASP A 69 -14.058 13.696 25.220 1.00 12.78 N ATOM 534 CA ASP A 69 -13.715 12.521 24.435 1.00 12.12 C ATOM 535 C ASP A 69 -12.273 12.647 23.978 1.00 11.75 C ATOM 536 O ASP A 69 -11.895 13.657 23.372 1.00 11.56 O ATOM 537 CB ASP A 69 -14.588 12.414 23.187 1.00 14.83 C ATOM 538 CG ASP A 69 -16.054 12.314 23.509 1.00 17.06 C ATOM 539 OD1 ASP A 69 -16.429 11.482 24.369 1.00 15.08 O ATOM 540 OD2 ASP A 69 -16.830 13.074 22.887 1.00 18.66 O ATOM 541 N LYS A 70 -11.487 11.621 24.237 1.00 12.02 N ATOM 542 CA LYS A 70 -10.081 11.653 23.877 1.00 12.03 C ATOM 543 C LYS A 70 -9.934 11.748 22.361 1.00 12.26 C ATOM 544 O LYS A 70 -10.585 10.988 21.626 1.00 11.81 O ATOM 545 CB LYS A 70 -9.417 10.375 24.367 1.00 14.10 C ATOM 546 CG LYS A 70 -7.925 10.356 24.198 1.00 14.22 C ATOM 547 CD LYS A 70 -7.358 9.043 24.697 1.00 17.78 C ATOM 548 CE LYS A 70 -5.851 9.095 24.708 1.00 17.93 C ATOM 549 NZ LYS A 70 -5.280 7.864 25.329 1.00 21.03 N ATOM 550 N PRO A 71 -9.098 12.647 21.851 1.00 10.50 N ATOM 551 CA PRO A 71 -8.904 12.718 20.401 1.00 10.12 C ATOM 552 C PRO A 71 -8.378 11.411 19.841 1.00 10.78 C ATOM 553 O PRO A 71 -7.523 10.749 20.434 1.00 12.04 O ATOM 554 CB PRO A 71 -7.878 13.843 20.241 1.00 12.06 C ATOM 555 CG PRO A 71 -8.095 14.711 21.450 1.00 12.16 C ATOM 556 CD PRO A 71 -8.397 13.736 22.556 1.00 11.63 C ATOM 557 N GLU A 72 -8.900 11.056 18.673 1.00 10.44 N ATOM 558 CA GLU A 72 -8.447 9.890 17.940 1.00 10.57 C ATOM 559 C GLU A 72 -7.358 10.229 16.925 1.00 10.97 C ATOM 560 O GLU A 72 -6.707 9.325 16.396 1.00 11.60 O ATOM 561 CB GLU A 72 -9.654 9.205 17.280 1.00 12.03 C ATOM 562 CG GLU A 72 -10.720 8.802 18.311 1.00 13.11 C ATOM 563 CD GLU A 72 -12.027 8.346 17.685 1.00 12.62 C ATOM 564 OE1 GLU A 72 -13.020 9.103 17.769 1.00 15.56 O ATOM 565 OE2 GLU A 72 -12.055 7.225 17.134 1.00 15.88 O ATOM 566 N LEU A 73 -7.122 11.513 16.696 1.00 10.76 N ATOM 567 CA LEU A 73 -6.051 12.026 15.861 1.00 9.24 C ATOM 568 C LEU A 73 -5.852 13.458 16.317 1.00 9.32 C ATOM 569 O LEU A 73 -6.828 14.154 16.601 1.00 9.77 O ATOM 570 CB LEU A 73 -6.456 12.028 14.382 1.00 10.60 C ATOM 571 CG LEU A 73 -5.543 12.772 13.405 1.00 9.88 C ATOM 572 CD1 LEU A 73 -4.191 12.095 13.302 1.00 9.81 C ATOM 573 CD2 LEU A 73 -6.184 12.852 12.027 1.00 10.62 C ATOM 574 N ALA A 74 -4.594 13.885 16.396 1.00 9.73 N ATOM 575 CA ALA A 74 -4.253 15.274 16.680 1.00 9.33 C ATOM 576 C ALA A 74 -3.514 15.839 15.481 1.00 9.24 C ATOM 577 O ALA A 74 -2.491 15.284 15.063 1.00 10.61 O ATOM 578 CB ALA A 74 -3.365 15.392 17.921 1.00 10.03 C ATOM 579 N ILE A 75 -4.021 16.941 14.945 1.00 8.56 N ATOM 580 CA ILE A 75 -3.370 17.666 13.863 1.00 8.92 C ATOM 581 C ILE A 75 -2.675 18.863 14.486 1.00 9.53 C ATOM 582 O ILE A 75 -3.327 19.702 15.113 1.00 9.89 O ATOM 583 CB ILE A 75 -4.383 18.123 12.801 1.00 9.41 C ATOM 584 CG1 ILE A 75 -5.254 16.957 12.311 1.00 10.65 C ATOM 585 CG2 ILE A 75 -3.645 18.808 11.660 1.00 9.66 C ATOM 586 CD1 ILE A 75 -6.389 17.369 11.368 1.00 10.37 C ATOM 587 N VAL A 76 -1.357 18.957 14.325 1.00 8.65 N ATOM 588 CA VAL A 76 -0.566 19.989 14.994 1.00 9.16 C ATOM 589 C VAL A 76 -0.038 20.946 13.937 1.00 8.25 C ATOM 590 O VAL A 76 0.678 20.534 13.013 1.00 8.91 O ATOM 591 CB VAL A 76 0.579 19.385 15.817 1.00 9.66 C ATOM 592 CG1 VAL A 76 1.449 20.484 16.413 1.00 10.87 C ATOM 593 CG2 VAL A 76 0.038 18.476 16.903 1.00 11.30 C ATOM 594 N GLU A 77 -0.374 22.228 14.088 1.00 8.61 N ATOM 595 CA GLU A 77 -0.090 23.261 13.093 1.00 8.57 C ATOM 596 C GLU A 77 0.436 24.488 13.835 1.00 8.17 C ATOM 597 O GLU A 77 -0.329 25.375 14.195 1.00 8.51 O ATOM 598 CB GLU A 77 -1.369 23.568 12.323 1.00 10.09 C ATOM 599 CG GLU A 77 -1.266 24.667 11.297 1.00 9.65 C ATOM 600 CD GLU A 77 -1.659 26.037 11.834 1.00 9.44 C ATOM 601 OE1 GLU A 77 -0.907 26.994 11.538 1.00 9.72 O ATOM 602 OE2 GLU A 77 -2.695 26.175 12.519 1.00 10.03 O ATOM 603 N LEU A 78 1.745 24.531 14.076 1.00 8.71 N ATOM 604 CA LEU A 78 2.331 25.619 14.844 1.00 8.82 C ATOM 605 C LEU A 78 3.730 25.900 14.321 1.00 9.32 C ATOM 606 O LEU A 78 4.403 25.018 13.777 1.00 9.63 O ATOM 607 CB LEU A 78 2.424 25.297 16.337 1.00 9.36 C ATOM 608 CG LEU A 78 1.097 25.261 17.085 1.00 8.40 C ATOM 609 CD1 LEU A 78 1.333 24.737 18.492 1.00 11.76 C ATOM 610 CD2 LEU A 78 0.482 26.636 17.137 1.00 10.32 C ATOM 611 N GLY A 79 4.175 27.134 14.544 1.00 9.69 N ATOM 612 CA GLY A 79 5.511 27.566 14.169 1.00 10.85 C ATOM 613 C GLY A 79 5.504 28.813 13.317 1.00 10.49 C ATOM 614 O GLY A 79 6.489 29.558 13.279 1.00 10.97 O ATOM 615 N GLY A 80 4.393 29.059 12.626 1.00 10.20 N ATOM 616 CA GLY A 80 4.299 30.264 11.822 1.00 12.07 C ATOM 617 C GLY A 80 4.505 31.531 12.630 1.00 12.78 C ATOM 618 O GLY A 80 5.142 32.477 12.163 1.00 13.68 O ATOM 619 N ASN A 81 3.993 31.559 13.861 1.00 10.57 N ATOM 620 CA ASN A 81 4.149 32.780 14.698 1.00 11.82 C ATOM 621 C ASN A 81 5.603 32.912 15.164 1.00 12.80 C ATOM 622 O ASN A 81 6.061 34.046 15.314 1.00 16.03 O ATOM 623 CB ASN A 81 3.103 32.868 15.807 1.00 12.29 C ATOM 624 CG ASN A 81 1.756 33.247 15.235 1.00 14.94 C ATOM 625 OD1 ASN A 81 1.609 34.288 14.605 1.00 22.54 O ATOM 626 ND2 ASN A 81 0.779 32.386 15.415 1.00 15.52 N ATOM 627 N ASP A 82 6.292 31.790 15.381 1.00 9.76 N ATOM 628 CA ASP A 82 7.738 31.849 15.730 1.00 10.16 C ATOM 629 C ASP A 82 8.464 32.534 14.566 1.00 13.33 C ATOM 630 O ASP A 82 9.299 33.400 14.824 1.00 13.43 O ATOM 631 CB ASP A 82 8.322 30.465 16.026 1.00 9.99 C ATOM 632 CG ASP A 82 7.654 29.743 17.185 1.00 9.95 C ATOM 633 OD1 ASP A 82 6.414 29.646 17.172 1.00 11.01 O ATOM 634 OD2 ASP A 82 8.383 29.281 18.077 1.00 10.40 O ATOM 635 N LEU A 83 8.159 32.132 13.328 1.00 13.41 N ATOM 636 CA LEU A 83 8.751 32.775 12.122 1.00 17.32 C ATOM 637 C LEU A 83 8.454 34.279 12.151 1.00 22.70 C ATOM 638 O LEU A 83 9.383 35.076 11.950 1.00 21.65 O ATOM 639 CB LEU A 83 8.076 32.202 10.875 1.00 20.21 C ATOM 640 CG LEU A 83 8.389 30.753 10.540 1.00 22.57 C ATOM 641 CD1 LEU A 83 7.424 30.217 9.490 1.00 26.33 C ATOM 642 CD2 LEU A 83 9.822 30.631 10.063 1.00 24.61 C ATOM 643 N LEU A 84 7.192 34.646 12.371 1.00 19.62 N ATOM 644 CA LEU A 84 6.769 36.073 12.345 1.00 20.86 C ATOM 645 C LEU A 84 7.519 36.897 13.396 1.00 23.79 C ATOM 646 O LEU A 84 7.681 38.104 13.182 1.00 30.67 O ATOM 647 CB LEU A 84 5.252 36.144 12.531 1.00 21.57 C ATOM 648 CG LEU A 84 4.450 35.860 11.261 1.00 31.42 C ATOM 649 CD1 LEU A 84 5.174 34.885 10.346 1.00 31.12 C ATOM 650 CD2 LEU A 84 3.052 35.363 11.577 1.00 31.63 C ATOM 651 N ARG A 85 7.889 36.281 14.516 1.00 20.55 N ATOM 652 CA ARG A 85 8.668 36.960 15.538 1.00 17.61 C ATOM 653 C ARG A 85 10.174 36.820 15.327 1.00 20.32 C ATOM 654 O ARG A 85 10.941 37.340 16.141 1.00 23.64 O ATOM 655 CB ARG A 85 8.281 36.450 16.929 1.00 21.12 C ATOM 656 CG ARG A 85 6.869 36.824 17.384 1.00 22.92 C ATOM 657 CD ARG A 85 6.531 36.127 18.698 1.00 27.35 C ATOM 658 NE ARG A 85 5.196 36.461 19.185 1.00 28.48 N ATOM 659 CZ ARG A 85 4.935 37.485 19.991 1.00 40.24 C ATOM 660 NH1 ARG A 85 3.691 37.718 20.389 1.00 39.34 N ATOM 661 NH2 ARG A 85 5.919 38.277 20.398 1.00 33.62 N ATOM 662 N GLY A 86 10.613 36.145 14.261 1.00 18.33 N ATOM 663 CA GLY A 86 12.030 35.910 14.023 1.00 18.70 C ATOM 664 C GLY A 86 12.717 35.022 15.038 1.00 12.23 C ATOM 665 O GLY A 86 13.945 35.094 15.189 1.00 14.00 O ATOM 666 N LEU A 87 11.966 34.175 15.729 1.00 10.82 N ATOM 667 CA LEU A 87 12.490 33.423 16.856 1.00 11.21 C ATOM 668 C LEU A 87 13.320 32.231 16.392 1.00 9.69 C ATOM 669 O LEU A 87 13.190 31.741 15.266 1.00 10.65 O ATOM 670 CB LEU A 87 11.349 32.916 17.737 1.00 11.29 C ATOM 671 CG LEU A 87 10.505 34.006 18.391 1.00 13.52 C ATOM 672 CD1 LEU A 87 9.396 33.360 19.221 1.00 14.75 C ATOM 673 CD2 LEU A 87 11.364 34.934 19.243 1.00 15.99 C ATOM 674 N SER A 88 14.139 31.734 17.305 1.00 10.18 N ATOM 675 CA SER A 88 15.044 30.625 17.057 1.00 9.97 C ATOM 676 C SER A 88 14.293 29.433 16.462 1.00 8.85 C ATOM 677 O SER A 88 13.349 28.926 17.092 1.00 9.17 O ATOM 678 CB SER A 88 15.651 30.205 18.393 1.00 10.51 C ATOM 679 OG SER A 88 16.244 28.926 18.278 1.00 11.25 O ATOM 680 N PRO A 89 14.707 28.926 15.298 1.00 9.66 N ATOM 681 CA PRO A 89 14.106 27.672 14.815 1.00 10.13 C ATOM 682 C PRO A 89 14.395 26.489 15.719 1.00 9.88 C ATOM 683 O PRO A 89 13.556 25.589 15.852 1.00 10.21 O ATOM 684 CB PRO A 89 14.744 27.484 13.434 1.00 11.09 C ATOM 685 CG PRO A 89 15.162 28.845 13.024 1.00 11.41 C ATOM 686 CD PRO A 89 15.583 29.539 14.283 1.00 10.70 C ATOM 687 N ALA A 90 15.576 26.475 16.342 1.00 9.68 N ATOM 688 CA ALA A 90 15.940 25.360 17.249 1.00 10.45 C ATOM 689 C ALA A 90 14.959 25.330 18.429 1.00 10.08 C ATOM 690 O ALA A 90 14.513 24.252 18.807 1.00 11.40 O ATOM 691 CB ALA A 90 17.372 25.520 17.713 1.00 13.01 C ATOM 692 N GLU A 91 14.636 26.495 18.984 1.00 9.22 N ATOM 693 CA GLU A 91 13.685 26.544 20.126 1.00 9.38 C ATOM 694 C GLU A 91 12.283 26.134 19.656 1.00 9.22 C ATOM 695 O GLU A 91 11.577 25.488 20.425 1.00 9.33 O ATOM 696 CB GLU A 91 13.733 27.917 20.789 1.00 10.79 C ATOM 697 CG GLU A 91 15.091 28.203 21.412 1.00 11.03 C ATOM 698 CD GLU A 91 15.143 29.500 22.189 1.00 12.89 C ATOM 699 OE1 GLU A 91 14.087 30.090 22.393 1.00 16.79 O ATOM 700 OE2 GLU A 91 16.241 29.923 22.577 1.00 13.62 O ATOM 701 N ALA A 92 11.892 26.528 18.444 1.00 9.64 N ATOM 702 CA ALA A 92 10.596 26.092 17.922 1.00 9.44 C ATOM 703 C ALA A 92 10.540 24.571 17.826 1.00 9.59 C ATOM 704 O ALA A 92 9.533 23.944 18.189 1.00 10.04 O ATOM 705 CB ALA A 92 10.340 26.733 16.553 1.00 9.97 C ATOM 706 N ARG A 93 11.630 23.961 17.351 1.00 8.82 N ATOM 707 CA ARG A 93 11.707 22.506 17.280 1.00 10.29 C ATOM 708 C ARG A 93 11.586 21.873 18.658 1.00 9.63 C ATOM 709 O ARG A 93 10.894 20.863 18.826 1.00 9.58 O ATOM 710 CB ARG A 93 13.026 22.100 16.628 1.00 9.18 C ATOM 711 CG ARG A 93 13.170 20.606 16.391 1.00 11.72 C ATOM 712 CD ARG A 93 14.525 20.270 15.764 1.00 12.52 C ATOM 713 NE ARG A 93 15.608 20.763 16.603 1.00 13.89 N ATOM 714 CZ ARG A 93 16.610 21.533 16.185 1.00 14.08 C ATOM 715 NH1 ARG A 93 17.521 21.952 17.054 1.00 15.89 N ATOM 716 NH2 ARG A 93 16.712 21.876 14.910 1.00 14.39 N ATOM 717 N GLN A 94 12.274 22.444 19.652 1.00 9.09 N ATOM 718 CA GLN A 94 12.201 21.922 21.013 1.00 9.93 C ATOM 719 C GLN A 94 10.792 22.037 21.574 1.00 8.80 C ATOM 720 O GLN A 94 10.292 21.107 22.213 1.00 9.52 O ATOM 721 CB GLN A 94 13.167 22.698 21.900 1.00 11.68 C ATOM 722 CG GLN A 94 14.632 22.553 21.536 1.00 19.48 C ATOM 723 CD GLN A 94 15.469 23.746 21.989 1.00 30.03 C ATOM 724 OE1 GLN A 94 15.087 24.482 22.904 1.00 29.59 O ATOM 725 NE2 GLN A 94 16.614 23.943 21.342 1.00 28.03 N ATOM 726 N ASN A 95 10.139 23.178 21.349 1.00 9.15 N ATOM 727 CA ASN A 95 8.783 23.354 21.856 1.00 8.90 C ATOM 728 C ASN A 95 7.818 22.388 21.185 1.00 8.97 C ATOM 729 O ASN A 95 6.992 21.751 21.857 1.00 9.59 O ATOM 730 CB ASN A 95 8.332 24.798 21.637 1.00 9.67 C ATOM 731 CG ASN A 95 9.111 25.796 22.458 1.00 9.31 C ATOM 732 OD1 ASN A 95 9.708 25.448 23.484 1.00 11.82 O ATOM 733 ND2 ASN A 95 9.095 27.046 22.029 1.00 10.83 N ATOM 734 N LEU A 96 7.921 22.252 19.861 1.00 8.85 N ATOM 735 CA LEU A 96 7.081 21.289 19.159 1.00 9.16 C ATOM 736 C LEU A 96 7.355 19.872 19.634 1.00 8.49 C ATOM 737 O LEU A 96 6.428 19.060 19.743 1.00 9.64 O ATOM 738 CB LEU A 96 7.302 21.399 17.652 1.00 9.81 C ATOM 739 CG LEU A 96 6.536 22.530 16.970 1.00 10.81 C ATOM 740 CD1 LEU A 96 7.155 22.899 15.634 1.00 11.49 C ATOM 741 CD2 LEU A 96 5.071 22.167 16.792 1.00 12.40 C ATOM 742 N SER A 97 8.622 19.558 19.943 1.00 9.77 N ATOM 743 CA SER A 97 8.944 18.236 20.473 1.00 10.33 C ATOM 744 C SER A 97 8.174 17.961 21.758 1.00 9.65 C ATOM 745 O SER A 97 7.682 16.850 21.967 1.00 10.56 O ATOM 746 CB SER A 97 10.449 18.125 20.733 1.00 11.12 C ATOM 747 OG SER A 97 11.199 18.138 19.541 1.00 12.92 O ATOM 748 N GLY A 98 8.070 18.961 22.634 1.00 9.54 N ATOM 749 CA GLY A 98 7.320 18.775 23.865 1.00 10.03 C ATOM 750 C GLY A 98 5.842 18.533 23.617 1.00 9.73 C ATOM 751 O GLY A 98 5.215 17.737 24.317 1.00 9.93 O ATOM 752 N ILE A 99 5.266 19.210 22.619 1.00 9.09 N ATOM 753 CA ILE A 99 3.869 18.968 22.255 1.00 9.94 C ATOM 754 C ILE A 99 3.685 17.539 21.757 1.00 8.91 C ATOM 755 O ILE A 99 2.767 16.821 22.180 1.00 10.13 O ATOM 756 CB ILE A 99 3.396 19.985 21.201 1.00 8.91 C ATOM 757 CG1 ILE A 99 3.437 21.400 21.775 1.00 10.10 C ATOM 758 CG2 ILE A 99 1.993 19.633 20.711 1.00 9.74 C ATOM 759 CD1 ILE A 99 3.338 22.480 20.725 1.00 10.02 C ATOM 760 N LEU A 100 4.553 17.107 20.842 1.00 8.99 N ATOM 761 CA LEU A 100 4.400 15.778 20.267 1.00 10.22 C ATOM 762 C LEU A 100 4.668 14.701 21.302 1.00 10.22 C ATOM 763 O LEU A 100 4.034 13.643 21.271 1.00 11.34 O ATOM 764 CB LEU A 100 5.310 15.608 19.055 1.00 10.75 C ATOM 765 CG LEU A 100 5.128 16.637 17.934 1.00 11.38 C ATOM 766 CD1 LEU A 100 5.844 16.158 16.687 1.00 14.44 C ATOM 767 CD2 LEU A 100 3.660 16.913 17.644 1.00 13.56 C ATOM 768 N GLU A 101 5.576 14.963 22.243 1.00 11.57 N ATOM 769 CA GLU A 101 5.851 13.996 23.296 1.00 12.21 C ATOM 770 C GLU A 101 4.635 13.787 24.183 1.00 11.87 C ATOM 771 O GLU A 101 4.359 12.662 24.612 1.00 13.82 O ATOM 772 CB GLU A 101 7.054 14.452 24.117 1.00 12.87 C ATOM 773 CG GLU A 101 8.359 14.017 23.495 1.00 19.02 C ATOM 774 CD GLU A 101 9.591 14.615 24.141 1.00 30.39 C ATOM 775 OE1 GLU A 101 9.465 15.286 25.190 1.00 34.33 O ATOM 776 OE2 GLU A 101 10.692 14.405 23.585 1.00 25.27 O ATOM 777 N GLU A 102 3.909 14.858 24.495 1.00 11.25 N ATOM 778 CA GLU A 102 2.689 14.715 25.279 1.00 11.11 C ATOM 779 C GLU A 102 1.636 13.904 24.524 1.00 10.60 C ATOM 780 O GLU A 102 0.991 13.020 25.099 1.00 12.22 O ATOM 781 CB GLU A 102 2.167 16.096 25.664 1.00 12.17 C ATOM 782 CG GLU A 102 0.874 16.070 26.460 1.00 13.74 C ATOM 783 CD GLU A 102 1.000 15.391 27.816 1.00 16.26 C ATOM 784 OE1 GLU A 102 2.134 15.212 28.308 1.00 20.70 O ATOM 785 OE2 GLU A 102 -0.042 15.026 28.396 1.00 15.61 O ATOM 786 N LEU A 103 1.443 14.192 23.233 1.00 10.63 N ATOM 787 CA LEU A 103 0.495 13.412 22.440 1.00 10.07 C ATOM 788 C LEU A 103 0.911 11.948 22.378 1.00 11.37 C ATOM 789 O LEU A 103 0.073 11.047 22.515 1.00 12.23 O ATOM 790 CB LEU A 103 0.385 14.005 21.034 1.00 10.70 C ATOM 791 CG LEU A 103 -0.292 15.377 21.003 1.00 9.76 C ATOM 792 CD1 LEU A 103 -0.005 16.103 19.690 1.00 10.99 C ATOM 793 CD2 LEU A 103 -1.785 15.261 21.231 1.00 10.48 C ATOM 794 N GLN A 104 2.207 11.693 22.183 1.00 12.04 N ATOM 795 CA GLN A 104 2.702 10.322 22.113 1.00 14.34 C ATOM 796 C GLN A 104 2.520 9.599 23.441 1.00 15.74 C ATOM 797 O GLN A 104 2.180 8.408 23.467 1.00 16.24 O ATOM 798 CB GLN A 104 4.176 10.345 21.721 1.00 18.24 C ATOM 799 CG GLN A 104 4.705 9.049 21.145 1.00 22.69 C ATOM 800 CD GLN A 104 6.097 9.219 20.582 1.00 25.65 C ATOM 801 OE1 GLN A 104 6.991 9.719 21.263 1.00 29.36 O ATOM 802 NE2 GLN A 104 6.287 8.819 19.331 1.00 28.84 N ATOM 803 N AARG A 105 2.737 10.312 24.554 0.48 13.63 N ATOM 804 N BARG A 105 2.766 10.288 24.555 0.52 13.64 N ATOM 805 CA AARG A 105 2.540 9.753 25.889 0.48 14.71 C ATOM 806 CA BARG A 105 2.538 9.669 25.854 0.52 14.59 C ATOM 807 C AARG A 105 1.115 9.253 26.083 0.48 14.46 C ATOM 808 C BARG A 105 1.115 9.142 25.954 0.52 13.89 C ATOM 809 O AARG A 105 0.886 8.293 26.829 0.48 15.96 O ATOM 810 O BARG A 105 0.884 8.040 26.469 0.52 13.96 O ATOM 811 CB AARG A 105 2.839 10.841 26.926 0.48 16.17 C ATOM 812 CB BARG A 105 2.810 10.686 26.960 0.52 15.73 C ATOM 813 CG AARG A 105 3.422 10.369 28.247 0.48 19.72 C ATOM 814 CG BARG A 105 2.739 10.130 28.361 0.52 17.28 C ATOM 815 CD AARG A 105 4.526 11.310 28.744 0.48 17.39 C ATOM 816 CD BARG A 105 2.998 11.235 29.367 0.52 15.46 C ATOM 817 NE AARG A 105 4.190 12.731 28.622 0.48 14.75 N ATOM 818 NE BARG A 105 1.866 12.150 29.460 0.52 16.81 N ATOM 819 CZ AARG A 105 5.063 13.668 28.256 0.48 15.07 C ATOM 820 CZ BARG A 105 0.759 11.896 30.149 0.52 18.79 C ATOM 821 NH1AARG A 105 6.314 13.328 27.979 0.48 15.72 N ATOM 822 NH1BARG A 105 0.641 10.757 30.816 0.52 19.67 N ATOM 823 NH2AARG A 105 4.692 14.940 28.164 0.48 10.61 N ATOM 824 NH2BARG A 105 -0.226 12.781 30.175 0.52 17.10 N ATOM 825 N ARG A 106 0.148 9.904 25.444 1.00 12.74 N ATOM 826 CA ARG A 106 -1.254 9.524 25.507 1.00 12.25 C ATOM 827 C ARG A 106 -1.666 8.625 24.357 1.00 12.59 C ATOM 828 O ARG A 106 -2.853 8.328 24.218 1.00 12.93 O ATOM 829 CB ARG A 106 -2.140 10.769 25.543 1.00 12.39 C ATOM 830 CG ARG A 106 -1.775 11.726 26.659 1.00 14.23 C ATOM 831 CD ARG A 106 -2.880 12.723 26.869 1.00 16.53 C ATOM 832 NE ARG A 106 -2.468 13.793 27.768 1.00 13.81 N ATOM 833 CZ ARG A 106 -3.298 14.456 28.562 1.00 12.49 C ATOM 834 NH1 ARG A 106 -4.584 14.152 28.589 1.00 13.97 N ATOM 835 NH2 ARG A 106 -2.831 15.410 29.341 1.00 14.09 N ATOM 836 N LYS A 107 -0.717 8.208 23.525 1.00 12.18 N ATOM 837 CA LYS A 107 -0.990 7.325 22.393 1.00 13.03 C ATOM 838 C LYS A 107 -2.013 7.921 21.425 1.00 12.42 C ATOM 839 O LYS A 107 -2.863 7.216 20.881 1.00 14.78 O ATOM 840 CB LYS A 107 -1.381 5.917 22.849 1.00 16.05 C ATOM 841 CG LYS A 107 -0.313 5.285 23.724 1.00 19.70 C ATOM 842 CD LYS A 107 -0.459 3.779 23.834 1.00 30.20 C ATOM 843 CE LYS A 107 0.823 3.158 24.366 1.00 36.35 C ATOM 844 NZ LYS A 107 1.030 1.784 23.833 1.00 48.91 N ATOM 845 N ILE A 108 -1.932 9.228 21.204 1.00 11.22 N ATOM 846 CA ILE A 108 -2.783 9.922 20.242 1.00 11.20 C ATOM 847 C ILE A 108 -2.011 10.056 18.935 1.00 10.50 C ATOM 848 O ILE A 108 -0.944 10.689 18.922 1.00 10.98 O ATOM 849 CB ILE A 108 -3.219 11.293 20.770 1.00 9.95 C ATOM 850 CG1 ILE A 108 -4.065 11.122 22.034 1.00 10.58 C ATOM 851 CG2 ILE A 108 -3.990 12.036 19.681 1.00 11.17 C ATOM 852 CD1 ILE A 108 -4.354 12.414 22.752 1.00 11.77 C ATOM 853 N PRO A 109 -2.496 9.478 17.836 1.00 10.80 N ATOM 854 CA PRO A 109 -1.820 9.642 16.546 1.00 11.40 C ATOM 855 C PRO A 109 -1.696 11.104 16.149 1.00 10.04 C ATOM 856 O PRO A 109 -2.559 11.928 16.453 1.00 10.23 O ATOM 857 CB PRO A 109 -2.735 8.885 15.575 1.00 13.01 C ATOM 858 CG PRO A 109 -3.467 7.896 16.422 1.00 13.89 C ATOM 859 CD PRO A 109 -3.676 8.599 17.737 1.00 11.41 C ATOM 860 N ILE A 110 -0.627 11.405 15.416 1.00 10.36 N ATOM 861 CA ILE A 110 -0.248 12.775 15.087 1.00 11.27 C ATOM 862 C ILE A 110 -0.178 12.952 13.576 1.00 9.61 C ATOM 863 O ILE A 110 0.459 12.153 12.876 1.00 10.93 O ATOM 864 CB ILE A 110 1.126 13.123 15.681 1.00 9.80 C ATOM 865 CG1 ILE A 110 1.128 12.969 17.201 1.00 12.76 C ATOM 866 CG2 ILE A 110 1.552 14.534 15.273 1.00 12.16 C ATOM 867 CD1 ILE A 110 2.519 12.850 17.773 1.00 12.16 C ATOM 868 N LEU A 111 -0.775 14.035 13.089 1.00 9.52 N ATOM 869 CA LEU A 111 -0.501 14.573 11.763 1.00 9.79 C ATOM 870 C LEU A 111 0.100 15.962 11.946 1.00 8.55 C ATOM 871 O LEU A 111 -0.523 16.840 12.554 1.00 9.70 O ATOM 872 CB LEU A 111 -1.780 14.649 10.930 1.00 10.09 C ATOM 873 CG LEU A 111 -1.645 15.292 9.551 1.00 10.38 C ATOM 874 CD1 LEU A 111 -0.691 14.500 8.677 1.00 13.82 C ATOM 875 CD2 LEU A 111 -3.012 15.409 8.894 1.00 12.18 C ATOM 876 N LEU A 112 1.302 16.165 11.428 1.00 8.96 N ATOM 877 CA LEU A 112 2.011 17.430 11.540 1.00 8.54 C ATOM 878 C LEU A 112 1.839 18.237 10.260 1.00 9.26 C ATOM 879 O LEU A 112 2.098 17.730 9.169 1.00 10.76 O ATOM 880 CB LEU A 112 3.492 17.146 11.775 1.00 11.30 C ATOM 881 CG LEU A 112 4.396 18.289 12.227 1.00 11.46 C ATOM 882 CD1 LEU A 112 3.958 18.870 13.564 1.00 11.97 C ATOM 883 CD2 LEU A 112 5.839 17.817 12.309 1.00 11.68 C ATOM 884 N MET A 113 1.421 19.492 10.407 1.00 9.32 N ATOM 885 CA MET A 113 1.260 20.403 9.243 1.00 9.40 C ATOM 886 C MET A 113 2.570 21.181 9.076 1.00 9.30 C ATOM 887 O MET A 113 2.889 22.013 9.940 1.00 10.27 O ATOM 888 CB MET A 113 0.095 21.369 9.471 1.00 10.14 C ATOM 889 CG MET A 113 -1.259 20.671 9.501 1.00 9.99 C ATOM 890 SD MET A 113 -1.502 19.606 8.053 1.00 12.80 S ATOM 891 CE MET A 113 -3.291 19.560 7.962 1.00 12.64 C ATOM 892 N GLY A 114 3.313 20.889 8.007 1.00 9.20 N ATOM 893 CA GLY A 114 4.612 21.542 7.760 1.00 9.21 C ATOM 894 C GLY A 114 4.470 23.020 7.445 1.00 8.51 C ATOM 895 O GLY A 114 3.626 23.378 6.618 1.00 10.55 O ATOM 896 N MET A 115 5.283 23.847 8.099 1.00 9.62 N ATOM 897 CA MET A 115 5.285 25.309 7.839 1.00 9.97 C ATOM 898 C MET A 115 6.561 25.642 7.060 1.00 10.46 C ATOM 899 O MET A 115 7.555 24.927 7.220 1.00 10.42 O ATOM 900 CB MET A 115 5.241 26.115 9.141 1.00 10.28 C ATOM 901 CG MET A 115 4.049 25.772 10.031 1.00 10.69 C ATOM 902 SD MET A 115 2.428 25.887 9.215 1.00 13.78 S ATOM 903 CE MET A 115 2.375 27.631 8.811 1.00 16.99 C ATOM 904 N ARG A 116 6.516 26.692 6.244 1.00 10.53 N ATOM 905 CA ARG A 116 7.690 27.080 5.420 1.00 11.15 C ATOM 906 C ARG A 116 8.010 28.553 5.667 1.00 12.65 C ATOM 907 O ARG A 116 7.083 29.365 5.772 1.00 14.72 O ATOM 908 CB ARG A 116 7.411 26.817 3.938 1.00 12.39 C ATOM 909 CG ARG A 116 7.295 25.340 3.596 1.00 12.65 C ATOM 910 CD ARG A 116 8.647 24.657 3.651 1.00 12.88 C ATOM 911 NE ARG A 116 8.551 23.232 3.381 1.00 12.35 N ATOM 912 CZ ARG A 116 8.331 22.699 2.185 1.00 12.67 C ATOM 913 NH1 ARG A 116 8.188 23.476 1.123 1.00 15.29 N ATOM 914 NH2 ARG A 116 8.260 21.389 2.060 1.00 13.88 N ATOM 915 N ALA A 117 9.297 28.864 5.730 1.00 12.27 N ATOM 916 CA ALA A 117 9.704 30.257 5.990 1.00 12.97 C ATOM 917 C ALA A 117 9.726 31.034 4.675 1.00 16.39 C ATOM 918 O ALA A 117 10.154 30.484 3.651 1.00 14.13 O ATOM 919 CB ALA A 117 11.065 30.268 6.644 1.00 14.57 C ATOM 920 N PRO A 118 9.317 32.320 4.673 1.00 17.96 N ATOM 921 CA PRO A 118 9.419 33.144 3.481 1.00 17.65 C ATOM 922 C PRO A 118 10.880 33.613 3.384 1.00 18.64 C ATOM 923 O PRO A 118 11.613 33.588 4.352 1.00 17.95 O ATOM 924 CB PRO A 118 8.452 34.296 3.781 1.00 21.57 C ATOM 925 CG PRO A 118 8.543 34.447 5.273 1.00 24.64 C ATOM 926 CD PRO A 118 8.703 33.032 5.794 1.00 20.65 C ATOM 927 N PRO A 119 11.328 34.088 2.213 1.00 17.06 N ATOM 928 CA PRO A 119 12.727 34.504 2.041 1.00 16.71 C ATOM 929 C PRO A 119 13.236 35.751 2.784 1.00 19.90 C ATOM 930 O PRO A 119 14.427 35.842 2.929 1.00 15.58 O ATOM 931 CB PRO A 119 12.789 34.766 0.531 1.00 19.18 C ATOM 932 CG PRO A 119 11.372 35.152 0.168 1.00 22.86 C ATOM 933 CD PRO A 119 10.531 34.211 0.995 1.00 22.34 C ATOM 934 N AASN A 120 12.359 36.482 3.481 0.48 17.48 N ATOM 935 N BASN A 120 12.322 36.389 3.571 0.52 17.23 N ATOM 936 CA AASN A 120 12.768 37.738 4.171 0.48 17.63 C ATOM 937 CA BASN A 120 12.707 37.651 4.203 0.52 17.51 C ATOM 938 C AASN A 120 13.731 37.470 5.336 0.48 17.92 C ATOM 939 C BASN A 120 13.799 37.466 5.253 0.52 17.96 C ATOM 940 O AASN A 120 14.530 38.366 5.637 0.48 18.29 O ATOM 941 O BASN A 120 14.706 38.299 5.363 0.52 19.57 O ATOM 942 CB AASN A 120 11.579 38.622 4.559 0.48 21.75 C ATOM 943 CB BASN A 120 11.483 38.330 4.819 0.52 20.67 C ATOM 944 CG AASN A 120 10.578 37.951 5.472 0.48 22.23 C ATOM 945 CG BASN A 120 11.765 39.759 5.250 0.52 22.10 C ATOM 946 OD1AASN A 120 10.941 37.399 6.506 0.48 24.71 O ATOM 947 OD1BASN A 120 12.259 40.572 4.467 0.52 21.26 O ATOM 948 ND2AASN A 120 9.308 38.027 5.110 0.48 22.44 N ATOM 949 ND2BASN A 120 11.455 40.069 6.505 0.52 20.45 N ATOM 950 N ALEU A 121 13.689 36.283 5.948 0.48 18.05 N ATOM 951 N BLEU A 121 13.729 36.395 6.045 0.52 18.01 N ATOM 952 CA ALEU A 121 14.609 36.007 7.084 0.48 19.46 C ATOM 953 CA BLEU A 121 14.746 36.190 7.069 0.52 19.91 C ATOM 954 C ALEU A 121 15.944 35.428 6.591 0.48 14.99 C ATOM 955 C BLEU A 121 16.065 35.676 6.507 0.52 15.64 C ATOM 956 O ALEU A 121 16.872 35.368 7.404 0.48 15.43 O ATOM 957 O BLEU A 121 17.062 35.660 7.239 0.52 18.87 O ATOM 958 CB ALEU A 121 13.915 35.108 8.111 0.48 20.38 C ATOM 959 CB BLEU A 121 14.245 35.243 8.163 0.52 20.45 C ATOM 960 CG ALEU A 121 12.960 35.850 9.046 0.48 21.22 C ATOM 961 CG BLEU A 121 12.918 35.603 8.829 0.52 21.90 C ATOM 962 CD1ALEU A 121 12.507 34.968 10.191 0.48 19.19 C ATOM 963 CD1BLEU A 121 11.850 34.603 8.428 0.52 20.43 C ATOM 964 CD2ALEU A 121 13.606 37.117 9.583 0.48 19.77 C ATOM 965 CD2BLEU A 121 13.081 35.651 10.333 0.52 18.86 C ATOM 966 N GLY A 122 16.105 35.271 5.274 1.00 13.94 N ATOM 967 CA GLY A 122 17.377 34.790 4.698 1.00 13.73 C ATOM 968 C GLY A 122 17.417 33.281 4.533 1.00 11.19 C ATOM 969 O GLY A 122 16.688 32.584 5.243 1.00 12.22 O ATOM 970 N ALA A 123 18.290 32.797 3.652 1.00 10.88 N ATOM 971 CA ALA A 123 18.383 31.350 3.354 1.00 10.51 C ATOM 972 C ALA A 123 18.841 30.552 4.580 1.00 10.59 C ATOM 973 O ALA A 123 18.363 29.437 4.765 1.00 10.62 O ATOM 974 CB ALA A 123 19.315 31.133 2.187 1.00 11.42 C ATOM 975 N LYS A 124 19.761 31.096 5.372 1.00 10.11 N ATOM 976 CA LYS A 124 20.263 30.329 6.542 1.00 10.00 C ATOM 977 C LYS A 124 19.104 30.034 7.501 1.00 10.06 C ATOM 978 O LYS A 124 18.933 28.883 7.897 1.00 10.72 O ATOM 979 CB LYS A 124 21.378 31.102 7.245 1.00 11.19 C ATOM 980 CG LYS A 124 21.972 30.385 8.449 1.00 12.05 C ATOM 981 CD LYS A 124 23.210 31.082 8.960 1.00 14.84 C ATOM 982 CE LYS A 124 23.784 30.449 10.207 1.00 16.63 C ATOM 983 NZ LYS A 124 25.055 31.105 10.597 1.00 21.61 N ATOM 984 N TYR A 125 18.347 31.065 7.861 1.00 10.04 N ATOM 985 CA TYR A 125 17.197 30.866 8.774 1.00 9.82 C ATOM 986 C TYR A 125 16.139 29.985 8.096 1.00 8.82 C ATOM 987 O TYR A 125 15.624 29.061 8.727 1.00 10.36 O ATOM 988 CB TYR A 125 16.590 32.223 9.129 1.00 11.08 C ATOM 989 CG TYR A 125 15.441 32.154 10.098 1.00 10.12 C ATOM 990 CD1 TYR A 125 14.186 31.733 9.693 1.00 12.28 C ATOM 991 CD2 TYR A 125 15.614 32.512 11.422 1.00 10.38 C ATOM 992 CE1 TYR A 125 13.133 31.658 10.590 1.00 12.25 C ATOM 993 CE2 TYR A 125 14.572 32.452 12.332 1.00 10.06 C ATOM 994 CZ TYR A 125 13.325 32.028 11.908 1.00 9.83 C ATOM 995 OH TYR A 125 12.269 31.966 12.770 1.00 11.20 O ATOM 996 N GLN A 126 15.831 30.280 6.833 1.00 10.05 N ATOM 997 CA GLN A 126 14.755 29.543 6.117 1.00 10.55 C ATOM 998 C GLN A 126 15.073 28.044 6.055 1.00 9.95 C ATOM 999 O GLN A 126 14.194 27.244 6.354 1.00 10.23 O ATOM 1000 CB GLN A 126 14.521 30.162 4.741 1.00 10.57 C ATOM 1001 CG GLN A 126 13.735 29.259 3.804 1.00 11.37 C ATOM 1002 CD GLN A 126 14.667 28.405 2.984 1.00 12.02 C ATOM 1003 OE1 GLN A 126 15.698 28.867 2.508 1.00 12.99 O ATOM 1004 NE2 GLN A 126 14.311 27.144 2.823 1.00 12.33 N ATOM 1005 N ARG A 127 16.298 27.679 5.695 1.00 9.49 N ATOM 1006 CA ARG A 127 16.622 26.231 5.611 1.00 11.04 C ATOM 1007 C ARG A 127 16.492 25.595 6.998 1.00 10.66 C ATOM 1008 O ARG A 127 15.955 24.490 7.099 1.00 10.85 O ATOM 1009 CB ARG A 127 18.046 26.034 5.087 1.00 12.60 C ATOM 1010 CG ARG A 127 18.194 26.251 3.588 1.00 14.60 C ATOM 1011 CD ARG A 127 19.628 25.977 3.176 1.00 18.20 C ATOM 1012 NE ARG A 127 20.568 26.905 3.788 1.00 16.15 N ATOM 1013 CZ ARG A 127 21.351 27.724 3.110 1.00 14.97 C ATOM 1014 NH1 ARG A 127 21.303 27.734 1.790 1.00 20.52 N ATOM 1015 NH2 ARG A 127 22.170 28.535 3.751 1.00 17.53 N ATOM 1016 N GLU A 128 16.982 26.281 8.028 1.00 10.07 N ATOM 1017 CA GLU A 128 16.929 25.723 9.404 1.00 9.78 C ATOM 1018 C GLU A 128 15.471 25.565 9.849 1.00 9.21 C ATOM 1019 O GLU A 128 15.112 24.501 10.351 1.00 10.40 O ATOM 1020 CB GLU A 128 17.689 26.624 10.379 1.00 10.91 C ATOM 1021 CG GLU A 128 17.907 25.962 11.728 1.00 11.30 C ATOM 1022 CD GLU A 128 18.454 26.844 12.836 1.00 12.21 C ATOM 1023 OE1 GLU A 128 18.880 27.974 12.553 1.00 13.02 O ATOM 1024 OE2 GLU A 128 18.443 26.385 13.981 1.00 12.91 O ATOM 1025 N APHE A 129 14.654 26.585 9.609 0.65 9.29 N ATOM 1026 N BPHE A 129 14.628 26.584 9.615 0.35 9.24 N ATOM 1027 CA APHE A 129 13.243 26.510 10.051 0.65 9.27 C ATOM 1028 CA BPHE A 129 13.249 26.470 10.085 0.35 9.26 C ATOM 1029 C APHE A 129 12.495 25.418 9.281 0.65 9.63 C ATOM 1030 C BPHE A 129 12.457 25.442 9.281 0.35 9.67 C ATOM 1031 O APHE A 129 11.816 24.593 9.903 0.65 9.93 O ATOM 1032 O BPHE A 129 11.659 24.689 9.852 0.35 10.08 O ATOM 1033 CB APHE A 129 12.565 27.860 9.826 0.65 10.32 C ATOM 1034 CB BPHE A 129 12.548 27.832 10.124 0.35 12.04 C ATOM 1035 CG APHE A 129 11.100 27.830 10.161 0.65 10.38 C ATOM 1036 CG BPHE A 129 11.504 27.937 11.214 0.35 10.39 C ATOM 1037 CD1APHE A 129 10.683 28.028 11.463 0.65 11.49 C ATOM 1038 CD1BPHE A 129 10.347 27.172 11.159 0.35 11.37 C ATOM 1039 CD2APHE A 129 10.150 27.557 9.188 0.65 11.56 C ATOM 1040 CD2BPHE A 129 11.692 28.773 12.306 0.35 9.90 C ATOM 1041 CE1APHE A 129 9.337 27.985 11.785 0.65 13.47 C ATOM 1042 CE1BPHE A 129 9.397 27.246 12.161 0.35 12.15 C ATOM 1043 CE2APHE A 129 8.804 27.515 9.511 0.65 11.93 C ATOM 1044 CE2BPHE A 129 10.740 28.850 13.312 0.35 10.48 C ATOM 1045 CZ APHE A 129 8.401 27.733 10.808 0.65 13.18 C ATOM 1046 CZ BPHE A 129 9.592 28.088 13.238 0.35 11.05 C ATOM 1047 N ASP A 130 12.654 25.390 7.959 1.00 10.03 N ATOM 1048 CA ASP A 130 11.897 24.434 7.160 1.00 9.84 C ATOM 1049 C ASP A 130 12.217 23.001 7.558 1.00 9.89 C ATOM 1050 O ASP A 130 11.334 22.134 7.533 1.00 10.28 O ATOM 1051 CB ASP A 130 12.201 24.620 5.670 1.00 10.60 C ATOM 1052 CG ASP A 130 11.595 25.876 5.088 1.00 10.12 C ATOM 1053 OD1 ASP A 130 10.940 26.650 5.811 1.00 11.31 O ATOM 1054 OD2 ASP A 130 11.794 26.078 3.873 1.00 11.00 O ATOM 1055 N GLY A 131 13.467 22.733 7.938 1.00 9.62 N ATOM 1056 CA GLY A 131 13.872 21.371 8.245 1.00 9.87 C ATOM 1057 C GLY A 131 13.357 20.832 9.565 1.00 9.50 C ATOM 1058 O GLY A 131 13.475 19.627 9.811 1.00 10.47 O ATOM 1059 N ILE A 132 12.791 21.674 10.430 1.00 9.24 N ATOM 1060 CA ILE A 132 12.359 21.133 11.721 1.00 9.08 C ATOM 1061 C ILE A 132 11.189 20.175 11.553 1.00 9.38 C ATOM 1062 O ILE A 132 11.056 19.221 12.323 1.00 9.98 O ATOM 1063 CB ILE A 132 12.083 22.217 12.784 1.00 10.41 C ATOM 1064 CG1 ILE A 132 10.766 22.957 12.530 1.00 10.17 C ATOM 1065 CG2 ILE A 132 13.261 23.169 12.907 1.00 11.10 C ATOM 1066 CD1 ILE A 132 10.419 23.992 13.595 1.00 12.22 C ATOM 1067 N TYR A 133 10.342 20.389 10.537 1.00 8.86 N ATOM 1068 CA TYR A 133 9.134 19.575 10.413 1.00 9.21 C ATOM 1069 C TYR A 133 9.430 18.146 9.972 1.00 9.52 C ATOM 1070 O TYR A 133 8.931 17.204 10.616 1.00 10.13 O ATOM 1071 CB TYR A 133 8.087 20.298 9.552 1.00 10.76 C ATOM 1072 CG TYR A 133 7.638 21.580 10.223 1.00 8.91 C ATOM 1073 CD1 TYR A 133 6.628 21.572 11.179 1.00 9.10 C ATOM 1074 CD2 TYR A 133 8.262 22.792 9.948 1.00 9.65 C ATOM 1075 CE1 TYR A 133 6.252 22.727 11.842 1.00 9.27 C ATOM 1076 CE2 TYR A 133 7.888 23.953 10.598 1.00 9.54 C ATOM 1077 CZ TYR A 133 6.885 23.912 11.546 1.00 7.65 C ATOM 1078 OH TYR A 133 6.548 25.084 12.173 1.00 9.47 O ATOM 1079 N PRO A 134 10.215 17.899 8.917 1.00 10.39 N ATOM 1080 CA PRO A 134 10.574 16.504 8.615 1.00 11.66 C ATOM 1081 C PRO A 134 11.331 15.839 9.744 1.00 12.07 C ATOM 1082 O PRO A 134 11.152 14.636 9.982 1.00 12.96 O ATOM 1083 CB PRO A 134 11.417 16.608 7.335 1.00 12.63 C ATOM 1084 CG PRO A 134 11.092 17.921 6.752 1.00 16.73 C ATOM 1085 CD PRO A 134 10.712 18.824 7.879 1.00 10.45 C ATOM 1086 N TYR A 135 12.157 16.591 10.467 1.00 11.18 N ATOM 1087 CA TYR A 135 12.862 16.020 11.604 1.00 11.23 C ATOM 1088 C TYR A 135 11.875 15.541 12.663 1.00 12.00 C ATOM 1089 O TYR A 135 11.988 14.421 13.181 1.00 12.80 O ATOM 1090 CB TYR A 135 13.818 17.056 12.193 1.00 13.72 C ATOM 1091 CG TYR A 135 14.437 16.607 13.489 1.00 16.68 C ATOM 1092 CD1 TYR A 135 15.592 15.834 13.494 1.00 19.29 C ATOM 1093 CD2 TYR A 135 13.872 16.953 14.704 1.00 16.39 C ATOM 1094 CE1 TYR A 135 16.161 15.414 14.676 1.00 23.36 C ATOM 1095 CE2 TYR A 135 14.438 16.535 15.897 1.00 20.41 C ATOM 1096 CZ TYR A 135 15.580 15.768 15.867 1.00 19.31 C ATOM 1097 OH TYR A 135 16.146 15.352 17.050 1.00 27.07 O ATOM 1098 N LEU A 136 10.905 16.388 13.012 1.00 10.40 N ATOM 1099 CA LEU A 136 9.939 16.036 14.048 1.00 11.09 C ATOM 1100 C LEU A 136 9.063 14.868 13.623 1.00 10.41 C ATOM 1101 O LEU A 136 8.747 13.995 14.442 1.00 11.93 O ATOM 1102 CB LEU A 136 9.059 17.241 14.361 1.00 12.04 C ATOM 1103 CG LEU A 136 9.742 18.394 15.091 1.00 12.29 C ATOM 1104 CD1 LEU A 136 8.934 19.681 14.915 1.00 13.27 C ATOM 1105 CD2 LEU A 136 9.929 18.063 16.568 1.00 16.51 C ATOM 1106 N ALA A 137 8.632 14.852 12.358 1.00 11.36 N ATOM 1107 CA ALA A 137 7.766 13.774 11.896 1.00 13.14 C ATOM 1108 C ALA A 137 8.472 12.431 11.998 1.00 13.26 C ATOM 1109 O ALA A 137 7.871 11.435 12.418 1.00 14.18 O ATOM 1110 CB ALA A 137 7.309 14.047 10.463 1.00 14.32 C ATOM 1111 N AGLU A 138 9.761 12.398 11.654 0.41 13.55 N ATOM 1112 N BGLU A 138 9.746 12.379 11.615 0.59 13.61 N ATOM 1113 CA AGLU A 138 10.531 11.160 11.712 0.41 15.60 C ATOM 1114 CA BGLU A 138 10.497 11.134 11.738 0.59 15.57 C ATOM 1115 C AGLU A 138 10.806 10.744 13.151 0.41 16.08 C ATOM 1116 C BGLU A 138 10.668 10.753 13.199 0.59 16.00 C ATOM 1117 O AGLU A 138 10.770 9.552 13.478 0.41 18.82 O ATOM 1118 O BGLU A 138 10.423 9.605 13.589 0.59 17.27 O ATOM 1119 CB AGLU A 138 11.843 11.349 10.951 0.41 16.48 C ATOM 1120 CB BGLU A 138 11.863 11.287 11.070 0.59 16.31 C ATOM 1121 CG AGLU A 138 12.800 10.169 11.013 0.41 21.24 C ATOM 1122 CG BGLU A 138 12.541 9.964 10.723 0.59 21.65 C ATOM 1123 CD AGLU A 138 13.757 10.141 9.836 0.41 25.00 C ATOM 1124 CD BGLU A 138 13.272 9.339 11.900 0.59 24.93 C ATOM 1125 OE1AGLU A 138 13.594 9.273 8.952 0.41 29.97 O ATOM 1126 OE1BGLU A 138 13.591 10.067 12.864 0.59 26.65 O ATOM 1127 OE2AGLU A 138 14.668 10.993 9.791 0.41 30.05 O ATOM 1128 OE2BGLU A 138 13.536 8.117 11.855 0.59 28.89 O ATOM 1129 N LYS A 139 11.077 11.713 14.027 1.00 15.25 N ATOM 1130 CA LYS A 139 11.413 11.387 15.405 1.00 15.44 C ATOM 1131 C LYS A 139 10.204 10.872 16.166 1.00 15.95 C ATOM 1132 O LYS A 139 10.318 9.938 16.970 1.00 16.33 O ATOM 1133 CB LYS A 139 11.998 12.616 16.090 1.00 16.52 C ATOM 1134 CG LYS A 139 12.401 12.361 17.527 1.00 15.78 C ATOM 1135 CD LYS A 139 13.143 13.542 18.118 1.00 17.99 C ATOM 1136 CE LYS A 139 13.420 13.330 19.600 1.00 21.36 C ATOM 1137 NZ LYS A 139 14.262 14.421 20.156 1.00 27.81 N ATOM 1138 N TYR A 140 9.033 11.456 15.926 1.00 13.66 N ATOM 1139 CA TYR A 140 7.844 11.141 16.700 1.00 15.27 C ATOM 1140 C TYR A 140 6.859 10.258 15.950 1.00 15.50 C ATOM 1141 O TYR A 140 5.711 10.124 16.386 1.00 17.50 O ATOM 1142 CB TYR A 140 7.198 12.426 17.229 1.00 16.22 C ATOM 1143 CG TYR A 140 8.111 13.093 18.223 1.00 14.98 C ATOM 1144 CD1 TYR A 140 8.246 12.585 19.503 1.00 17.77 C ATOM 1145 CD2 TYR A 140 8.892 14.179 17.865 1.00 14.32 C ATOM 1146 CE1 TYR A 140 9.107 13.160 20.409 1.00 17.52 C ATOM 1147 CE2 TYR A 140 9.755 14.767 18.768 1.00 15.00 C ATOM 1148 CZ TYR A 140 9.860 14.255 20.046 1.00 16.12 C ATOM 1149 OH TYR A 140 10.727 14.841 20.944 1.00 17.94 O ATOM 1150 N ASP A 141 7.292 9.636 14.852 1.00 16.90 N ATOM 1151 CA ASP A 141 6.451 8.735 14.062 1.00 18.88 C ATOM 1152 C ASP A 141 5.115 9.385 13.721 1.00 19.51 C ATOM 1153 O ASP A 141 4.042 8.799 13.885 1.00 21.65 O ATOM 1154 CB ASP A 141 6.258 7.385 14.756 1.00 26.33 C ATOM 1155 CG ASP A 141 7.571 6.669 15.017 1.00 38.05 C ATOM 1156 OD1 ASP A 141 8.386 6.563 14.077 1.00 42.09 O ATOM 1157 OD2 ASP A 141 7.785 6.207 16.159 1.00 47.95 O ATOM 1158 N ALA A 142 5.191 10.624 13.256 1.00 15.65 N ATOM 1159 CA ALA A 142 4.015 11.386 12.879 1.00 14.85 C ATOM 1160 C ALA A 142 3.922 11.450 11.366 1.00 13.43 C ATOM 1161 O ALA A 142 4.939 11.510 10.669 1.00 15.88 O ATOM 1162 CB ALA A 142 4.100 12.805 13.434 1.00 15.02 C ATOM 1163 N LYS A 143 2.703 11.440 10.858 1.00 12.29 N ATOM 1164 CA LYS A 143 2.524 11.741 9.449 1.00 13.37 C ATOM 1165 C LYS A 143 2.736 13.231 9.229 1.00 11.79 C ATOM 1166 O LYS A 143 2.539 14.042 10.135 1.00 12.43 O ATOM 1167 CB LYS A 143 1.140 11.293 8.993 1.00 14.05 C ATOM 1168 CG LYS A 143 1.030 9.767 8.940 1.00 21.40 C ATOM 1169 CD LYS A 143 -0.368 9.291 8.616 1.00 31.09 C ATOM 1170 CE LYS A 143 -0.379 7.805 8.274 1.00 31.14 C ATOM 1171 NZ LYS A 143 -0.505 6.944 9.485 1.00 33.23 N ATOM 1172 N LEU A 144 3.179 13.587 8.028 1.00 11.93 N ATOM 1173 CA LEU A 144 3.556 14.958 7.723 1.00 11.69 C ATOM 1174 C LEU A 144 2.883 15.401 6.435 1.00 10.66 C ATOM 1175 O LEU A 144 2.956 14.700 5.419 1.00 12.85 O ATOM 1176 CB LEU A 144 5.075 15.078 7.558 1.00 13.08 C ATOM 1177 CG LEU A 144 5.588 16.437 7.082 1.00 11.85 C ATOM 1178 CD1 LEU A 144 5.412 17.498 8.154 1.00 12.84 C ATOM 1179 CD2 LEU A 144 7.044 16.332 6.671 1.00 16.70 C ATOM 1180 N VAL A 145 2.234 16.561 6.473 1.00 9.99 N ATOM 1181 CA VAL A 145 1.927 17.329 5.271 1.00 10.73 C ATOM 1182 C VAL A 145 3.101 18.281 5.058 1.00 10.62 C ATOM 1183 O VAL A 145 3.287 19.195 5.873 1.00 9.83 O ATOM 1184 CB VAL A 145 0.613 18.104 5.415 1.00 11.33 C ATOM 1185 CG1 VAL A 145 0.450 19.084 4.267 1.00 12.71 C ATOM 1186 CG2 VAL A 145 -0.578 17.144 5.469 1.00 13.03 C ATOM 1187 N PRO A 146 3.936 18.074 4.040 1.00 10.28 N ATOM 1188 CA PRO A 146 5.198 18.826 3.997 1.00 11.18 C ATOM 1189 C PRO A 146 5.008 20.330 3.948 1.00 10.56 C ATOM 1190 O PRO A 146 5.775 21.067 4.579 1.00 10.57 O ATOM 1191 CB PRO A 146 5.888 18.283 2.737 1.00 13.48 C ATOM 1192 CG PRO A 146 5.324 16.906 2.577 1.00 15.88 C ATOM 1193 CD PRO A 146 3.889 17.006 3.026 1.00 12.31 C ATOM 1194 N PHE A 147 3.998 20.815 3.228 1.00 10.93 N ATOM 1195 CA PHE A 147 3.808 22.256 3.032 1.00 10.47 C ATOM 1196 C PHE A 147 2.305 22.520 3.130 1.00 9.77 C ATOM 1197 O PHE A 147 1.582 22.462 2.132 1.00 10.29 O ATOM 1198 CB PHE A 147 4.406 22.677 1.692 1.00 12.43 C ATOM 1199 CG PHE A 147 4.368 24.167 1.408 1.00 11.68 C ATOM 1200 CD1 PHE A 147 3.980 25.092 2.345 1.00 12.05 C ATOM 1201 CD2 PHE A 147 4.731 24.626 0.155 1.00 14.63 C ATOM 1202 CE1 PHE A 147 3.954 26.456 2.037 1.00 14.34 C ATOM 1203 CE2 PHE A 147 4.708 25.979 -0.151 1.00 15.30 C ATOM 1204 CZ PHE A 147 4.319 26.890 0.783 1.00 17.67 C ATOM 1205 N PHE A 148 1.843 22.826 4.340 1.00 10.04 N ATOM 1206 CA PHE A 148 0.411 22.972 4.573 1.00 9.96 C ATOM 1207 C PHE A 148 -0.210 24.025 3.661 1.00 10.71 C ATOM 1208 O PHE A 148 -1.312 23.826 3.139 1.00 10.37 O ATOM 1209 CB PHE A 148 0.186 23.307 6.044 1.00 10.37 C ATOM 1210 CG PHE A 148 -1.245 23.568 6.395 1.00 10.33 C ATOM 1211 CD1 PHE A 148 -2.230 22.655 6.059 1.00 14.15 C ATOM 1212 CD2 PHE A 148 -1.611 24.720 7.064 1.00 14.19 C ATOM 1213 CE1 PHE A 148 -3.556 22.892 6.382 1.00 15.68 C ATOM 1214 CE2 PHE A 148 -2.942 24.952 7.389 1.00 15.84 C ATOM 1215 CZ PHE A 148 -3.907 24.032 7.037 1.00 15.80 C ATOM 1216 N LEU A 149 0.463 25.153 3.468 1.00 9.44 N ATOM 1217 CA LEU A 149 -0.097 26.248 2.680 1.00 10.52 C ATOM 1218 C LEU A 149 0.230 26.158 1.192 1.00 10.24 C ATOM 1219 O LEU A 149 0.028 27.140 0.467 1.00 11.51 O ATOM 1220 CB LEU A 149 0.369 27.599 3.233 1.00 10.53 C ATOM 1221 CG LEU A 149 -0.186 27.959 4.610 1.00 12.34 C ATOM 1222 CD1 LEU A 149 0.371 29.300 5.055 1.00 14.74 C ATOM 1223 CD2 LEU A 149 -1.713 27.980 4.606 1.00 15.03 C ATOM 1224 N GLU A 150 0.731 25.021 0.723 1.00 10.20 N ATOM 1225 CA GLU A 150 1.127 24.895 -0.675 1.00 11.96 C ATOM 1226 C GLU A 150 0.007 25.291 -1.632 1.00 11.00 C ATOM 1227 O GLU A 150 0.254 25.958 -2.645 1.00 12.21 O ATOM 1228 CB GLU A 150 1.577 23.465 -0.952 1.00 11.46 C ATOM 1229 CG GLU A 150 2.115 23.251 -2.353 1.00 14.29 C ATOM 1230 CD GLU A 150 2.714 21.868 -2.519 1.00 24.82 C ATOM 1231 OE1 GLU A 150 2.083 20.892 -2.062 1.00 30.89 O ATOM 1232 OE2 GLU A 150 3.813 21.758 -3.103 1.00 36.38 O ATOM 1233 N ALA A 151 -1.231 24.908 -1.327 1.00 10.53 N ATOM 1234 CA ALA A 151 -2.305 25.126 -2.288 1.00 10.96 C ATOM 1235 C ALA A 151 -2.666 26.593 -2.457 1.00 11.80 C ATOM 1236 O ALA A 151 -3.348 26.929 -3.430 1.00 14.36 O ATOM 1237 CB ALA A 151 -3.530 24.297 -1.917 1.00 13.37 C ATOM 1238 N VAL A 152 -2.230 27.481 -1.571 1.00 11.67 N ATOM 1239 CA VAL A 152 -2.443 28.911 -1.770 1.00 12.88 C ATOM 1240 C VAL A 152 -1.160 29.651 -2.097 1.00 14.02 C ATOM 1241 O VAL A 152 -1.194 30.877 -2.283 1.00 14.45 O ATOM 1242 CB VAL A 152 -3.204 29.567 -0.602 1.00 13.14 C ATOM 1243 CG1 VAL A 152 -4.587 28.954 -0.466 1.00 16.15 C ATOM 1244 CG2 VAL A 152 -2.416 29.443 0.694 1.00 14.47 C ATOM 1245 N ALA A 153 -0.037 28.935 -2.232 1.00 16.29 N ATOM 1246 CA ALA A 153 1.273 29.575 -2.330 1.00 22.18 C ATOM 1247 C ALA A 153 1.374 30.462 -3.560 1.00 22.45 C ATOM 1248 O ALA A 153 2.046 31.501 -3.534 1.00 29.39 O ATOM 1249 CB ALA A 153 2.366 28.508 -2.362 1.00 23.57 C ATOM 1250 N ASP A 154 0.734 30.060 -4.653 1.00 19.21 N ATOM 1251 CA ASP A 154 0.773 30.809 -5.899 1.00 20.19 C ATOM 1252 C ASP A 154 -0.544 31.515 -6.182 1.00 16.12 C ATOM 1253 O ASP A 154 -0.839 31.820 -7.341 1.00 18.27 O ATOM 1254 CB ASP A 154 1.137 29.885 -7.063 1.00 24.46 C ATOM 1255 CG ASP A 154 2.518 29.279 -6.916 1.00 42.15 C ATOM 1256 OD1 ASP A 154 3.445 30.002 -6.490 1.00 45.26 O ATOM 1257 OD2 ASP A 154 2.675 28.079 -7.225 1.00 52.58 O ATOM 1258 N ARG A 155 -1.355 31.762 -5.155 1.00 13.67 N ATOM 1259 CA ARG A 155 -2.717 32.255 -5.345 1.00 12.18 C ATOM 1260 C ARG A 155 -2.976 33.449 -4.441 1.00 13.20 C ATOM 1261 O ARG A 155 -3.694 33.344 -3.440 1.00 12.34 O ATOM 1262 CB ARG A 155 -3.732 31.141 -5.102 1.00 11.39 C ATOM 1263 CG ARG A 155 -3.698 30.020 -6.126 1.00 12.45 C ATOM 1264 CD ARG A 155 -4.217 30.454 -7.488 1.00 11.58 C ATOM 1265 NE ARG A 155 -5.554 31.045 -7.452 1.00 10.83 N ATOM 1266 CZ ARG A 155 -6.687 30.375 -7.633 1.00 10.25 C ATOM 1267 NH1 ARG A 155 -6.669 29.067 -7.828 1.00 11.78 N ATOM 1268 NH2 ARG A 155 -7.849 31.015 -7.610 1.00 10.81 N ATOM 1269 N PRO A 156 -2.425 34.618 -4.779 1.00 14.84 N ATOM 1270 CA PRO A 156 -2.709 35.814 -3.966 1.00 15.70 C ATOM 1271 C PRO A 156 -4.188 36.160 -3.908 1.00 14.64 C ATOM 1272 O PRO A 156 -4.629 36.802 -2.948 1.00 15.90 O ATOM 1273 CB PRO A 156 -1.882 36.918 -4.643 1.00 20.84 C ATOM 1274 CG PRO A 156 -1.515 36.386 -5.980 1.00 21.81 C ATOM 1275 CD PRO A 156 -1.471 34.897 -5.868 1.00 16.66 C ATOM 1276 N ASP A 157 -4.971 35.737 -4.900 1.00 12.32 N ATOM 1277 CA ASP A 157 -6.411 35.954 -4.859 1.00 13.89 C ATOM 1278 C ASP A 157 -7.119 35.118 -3.797 1.00 12.84 C ATOM 1279 O ASP A 157 -8.299 35.373 -3.518 1.00 13.87 O ATOM 1280 CB ASP A 157 -7.032 35.695 -6.234 1.00 12.44 C ATOM 1281 CG ASP A 157 -6.728 34.307 -6.779 1.00 12.63 C ATOM 1282 OD1 ASP A 157 -5.663 33.731 -6.448 1.00 12.94 O ATOM 1283 OD2 ASP A 157 -7.534 33.791 -7.579 1.00 13.72 O ATOM 1284 N LEU A 158 -6.427 34.150 -3.190 1.00 11.17 N ATOM 1285 CA LEU A 158 -6.985 33.288 -2.158 1.00 10.04 C ATOM 1286 C LEU A 158 -6.439 33.627 -0.783 1.00 12.04 C ATOM 1287 O LEU A 158 -6.651 32.862 0.169 1.00 12.14 O ATOM 1288 CB LEU A 158 -6.707 31.822 -2.484 1.00 11.33 C ATOM 1289 CG LEU A 158 -7.305 31.302 -3.793 1.00 11.59 C ATOM 1290 CD1 LEU A 158 -6.943 29.849 -3.970 1.00 12.41 C ATOM 1291 CD2 LEU A 158 -8.816 31.490 -3.837 1.00 13.34 C ATOM 1292 N ILE A 159 -5.746 34.757 -0.660 1.00 12.31 N ATOM 1293 CA ILE A 159 -5.135 35.205 0.585 1.00 14.48 C ATOM 1294 C ILE A 159 -5.795 36.516 0.987 1.00 13.87 C ATOM 1295 O ILE A 159 -5.964 37.414 0.151 1.00 14.20 O ATOM 1296 CB ILE A 159 -3.614 35.378 0.414 1.00 17.10 C ATOM 1297 CG1 ILE A 159 -2.970 34.051 0.004 1.00 17.67 C ATOM 1298 CG2 ILE A 159 -2.976 35.915 1.680 1.00 18.63 C ATOM 1299 CD1 ILE A 159 -3.318 32.918 0.917 1.00 21.94 C ATOM 1300 N GLN A 160 -6.188 36.615 2.252 1.00 14.45 N ATOM 1301 CA GLN A 160 -6.815 37.827 2.755 1.00 16.70 C ATOM 1302 C GLN A 160 -5.819 38.972 2.724 1.00 17.42 C ATOM 1303 O GLN A 160 -4.621 38.785 2.929 1.00 17.64 O ATOM 1304 CB GLN A 160 -7.235 37.644 4.212 1.00 17.51 C ATOM 1305 CG GLN A 160 -8.253 36.561 4.462 1.00 24.60 C ATOM 1306 CD GLN A 160 -8.626 36.477 5.926 1.00 24.17 C ATOM 1307 OE1 GLN A 160 -8.766 37.500 6.599 1.00 30.33 O ATOM 1308 NE2 GLN A 160 -8.755 35.258 6.437 1.00 21.72 N ATOM 1309 N ALYS A 161 -6.327 40.161 2.430 0.73 19.44 N ATOM 1310 N BLYS A 161 -6.315 40.180 2.494 0.27 20.05 N ATOM 1311 CA ALYS A 161 -5.563 41.387 2.594 0.73 22.76 C ATOM 1312 CA BLYS A 161 -5.468 41.369 2.571 0.27 22.89 C ATOM 1313 C ALYS A 161 -5.804 41.872 4.017 0.73 24.77 C ATOM 1314 C BLYS A 161 -5.709 42.028 3.924 0.27 25.08 C ATOM 1315 O ALYS A 161 -6.933 42.221 4.378 0.73 24.96 O ATOM 1316 O BLYS A 161 -6.735 42.676 4.139 0.27 26.60 O ATOM 1317 CB ALYS A 161 -6.017 42.431 1.578 0.73 24.77 C ATOM 1318 CB BLYS A 161 -5.744 42.327 1.421 0.27 25.22 C ATOM 1319 CG ALYS A 161 -5.281 43.761 1.677 0.73 26.89 C ATOM 1320 CG BLYS A 161 -6.908 41.933 0.557 0.27 24.64 C ATOM 1321 CD ALYS A 161 -3.771 43.569 1.733 0.73 31.07 C ATOM 1322 CD BLYS A 161 -7.489 43.155 -0.111 0.27 26.28 C ATOM 1323 CE ALYS A 161 -3.077 44.195 0.527 0.73 27.14 C ATOM 1324 CE BLYS A 161 -8.553 42.758 -1.093 0.27 23.01 C ATOM 1325 NZ ALYS A 161 -2.939 43.221 -0.592 0.73 29.51 N ATOM 1326 NZ BLYS A 161 -8.074 41.696 -2.022 0.27 22.73 N ATOM 1327 N ASP A 162 -4.756 41.854 4.838 1.00 25.27 N ATOM 1328 CA ASP A 162 -4.854 42.424 6.175 1.00 27.56 C ATOM 1329 C ASP A 162 -3.586 43.202 6.501 1.00 29.57 C ATOM 1330 O ASP A 162 -3.498 44.400 6.210 1.00 28.28 O ATOM 1331 CB ASP A 162 -5.150 41.343 7.222 1.00 28.97 C ATOM 1332 CG ASP A 162 -4.429 40.037 6.946 1.00 28.53 C ATOM 1333 OD1 ASP A 162 -3.218 40.069 6.649 1.00 28.83 O ATOM 1334 OD2 ASP A 162 -5.078 38.973 7.020 1.00 29.61 O ATOM 1335 N HIS A 163 -2.582 42.576 7.109 1.00 23.66 N ATOM 1336 CA HIS A 163 -1.300 43.236 7.416 1.00 26.01 C ATOM 1337 C HIS A 163 -0.650 43.633 6.102 1.00 27.87 C ATOM 1338 O HIS A 163 -0.644 42.859 5.139 1.00 28.72 O ATOM 1339 CB HIS A 163 -0.355 42.316 8.187 1.00 31.08 C ATOM 1340 CG HIS A 163 -0.866 41.869 9.512 1.00 32.89 C ATOM 1341 ND1 HIS A 163 -0.386 42.383 10.703 1.00 31.39 N ATOM 1342 CD2 HIS A 163 -1.781 40.932 9.837 1.00 38.22 C ATOM 1343 CE1 HIS A 163 -0.998 41.788 11.704 1.00 36.80 C ATOM 1344 NE2 HIS A 163 -1.854 40.890 11.199 1.00 41.43 N ATOM 1345 N VAL A 164 -0.142 44.840 6.097 1.00 25.45 N ATOM 1346 CA VAL A 164 0.574 45.396 4.953 1.00 26.87 C ATOM 1347 C VAL A 164 1.861 45.991 5.510 1.00 23.83 C ATOM 1348 O VAL A 164 1.862 47.119 6.017 1.00 31.46 O ATOM 1349 CB VAL A 164 -0.254 46.442 4.193 1.00 26.49 C ATOM 1350 CG1 VAL A 164 0.595 47.168 3.159 1.00 25.40 C ATOM 1351 CG2 VAL A 164 -1.447 45.782 3.517 1.00 28.75 C ATOM 1352 N HIS A 165 2.918 45.181 5.504 1.00 21.12 N ATOM 1353 CA HIS A 165 4.232 45.641 6.012 1.00 19.89 C ATOM 1354 C HIS A 165 5.123 45.970 4.827 1.00 18.27 C ATOM 1355 O HIS A 165 5.579 45.036 4.159 1.00 21.94 O ATOM 1356 CB HIS A 165 4.949 44.546 6.784 1.00 21.97 C ATOM 1357 CG HIS A 165 4.141 44.049 7.920 1.00 30.58 C ATOM 1358 ND1 HIS A 165 4.221 42.755 8.368 1.00 35.05 N ATOM 1359 CD2 HIS A 165 3.233 44.674 8.684 1.00 26.83 C ATOM 1360 CE1 HIS A 165 3.400 42.602 9.376 1.00 33.24 C ATOM 1361 NE2 HIS A 165 2.810 43.758 9.582 1.00 29.13 N ATOM 1362 N PRO A 166 5.458 47.245 4.583 1.00 13.21 N ATOM 1363 CA PRO A 166 6.319 47.547 3.466 1.00 12.73 C ATOM 1364 C PRO A 166 7.690 46.886 3.639 1.00 11.45 C ATOM 1365 O PRO A 166 8.216 46.784 4.724 1.00 14.07 O ATOM 1366 CB PRO A 166 6.481 49.075 3.551 1.00 12.48 C ATOM 1367 CG PRO A 166 5.248 49.522 4.321 1.00 18.85 C ATOM 1368 CD PRO A 166 5.030 48.422 5.339 1.00 16.42 C ATOM 1369 N THR A 167 8.330 46.620 2.497 1.00 12.61 N ATOM 1370 CA THR A 167 9.747 46.177 2.471 1.00 11.90 C ATOM 1371 C THR A 167 10.622 47.433 2.620 1.00 12.02 C ATOM 1372 O THR A 167 10.106 48.571 2.617 1.00 11.53 O ATOM 1373 CB THR A 167 10.110 45.522 1.132 1.00 11.44 C ATOM 1374 OG1 THR A 167 9.946 46.512 0.118 1.00 11.35 O ATOM 1375 CG2 THR A 167 9.259 44.313 0.811 1.00 12.88 C ATOM 1376 N ALA A 168 11.929 47.249 2.718 1.00 12.52 N ATOM 1377 CA ALA A 168 12.796 48.418 2.854 1.00 13.48 C ATOM 1378 C ALA A 168 12.614 49.365 1.678 1.00 11.96 C ATOM 1379 O ALA A 168 12.585 50.592 1.843 1.00 11.87 O ATOM 1380 CB ALA A 168 14.256 47.985 2.980 1.00 15.88 C ATOM 1381 N ARG A 169 12.466 48.807 0.479 1.00 11.55 N ATOM 1382 CA ARG A 169 12.199 49.622 -0.694 1.00 12.02 C ATOM 1383 C ARG A 169 10.805 50.241 -0.625 1.00 11.57 C ATOM 1384 O ARG A 169 10.607 51.391 -1.029 1.00 11.29 O ATOM 1385 CB ARG A 169 12.363 48.754 -1.943 1.00 13.05 C ATOM 1386 CG ARG A 169 12.181 49.463 -3.256 1.00 15.48 C ATOM 1387 CD ARG A 169 13.258 50.508 -3.501 1.00 22.99 C ATOM 1388 NE ARG A 169 12.973 51.242 -4.731 1.00 28.29 N ATOM 1389 CZ ARG A 169 11.996 52.137 -4.853 1.00 29.33 C ATOM 1390 NH1 ARG A 169 11.228 52.429 -3.813 1.00 27.74 N ATOM 1391 NH2 ARG A 169 11.792 52.751 -6.009 1.00 26.26 N ATOM 1392 N GLY A 170 9.831 49.492 -0.108 1.00 10.56 N ATOM 1393 CA GLY A 170 8.514 50.066 0.116 1.00 10.89 C ATOM 1394 C GLY A 170 8.541 51.242 1.077 1.00 9.55 C ATOM 1395 O GLY A 170 7.825 52.223 0.881 1.00 10.58 O ATOM 1396 N VAL A 171 9.370 51.161 2.123 1.00 9.99 N ATOM 1397 CA VAL A 171 9.511 52.290 3.046 1.00 10.09 C ATOM 1398 C VAL A 171 10.016 53.522 2.310 1.00 10.80 C ATOM 1399 O VAL A 171 9.509 54.634 2.499 1.00 10.62 O ATOM 1400 CB VAL A 171 10.437 51.929 4.221 1.00 11.56 C ATOM 1401 CG1 VAL A 171 10.893 53.200 4.943 1.00 11.63 C ATOM 1402 CG2 VAL A 171 9.739 50.994 5.181 1.00 11.10 C ATOM 1403 N GLU A 172 10.998 53.334 1.427 1.00 11.54 N ATOM 1404 CA GLU A 172 11.543 54.490 0.661 1.00 12.64 C ATOM 1405 C GLU A 172 10.409 55.129 -0.147 1.00 10.69 C ATOM 1406 O GLU A 172 10.384 56.349 -0.303 1.00 11.81 O ATOM 1407 CB GLU A 172 12.723 54.034 -0.199 1.00 13.55 C ATOM 1408 CG GLU A 172 13.910 53.620 0.646 1.00 16.81 C ATOM 1409 CD GLU A 172 15.087 53.048 -0.121 1.00 25.30 C ATOM 1410 OE1 GLU A 172 14.953 52.847 -1.338 1.00 24.61 O ATOM 1411 OE2 GLU A 172 16.117 52.791 0.516 1.00 28.40 O ATOM 1412 N AGLU A 173 9.527 54.294 -0.702 0.50 11.20 N ATOM 1413 N BGLU A 173 9.533 54.290 -0.697 0.50 11.20 N ATOM 1414 CA AGLU A 173 8.375 54.800 -1.494 0.50 11.63 C ATOM 1415 CA BGLU A 173 8.378 54.774 -1.494 0.50 11.64 C ATOM 1416 C AGLU A 173 7.493 55.661 -0.584 0.50 11.18 C ATOM 1417 C BGLU A 173 7.487 55.642 -0.594 0.50 11.21 C ATOM 1418 O AGLU A 173 7.036 56.717 -1.028 0.50 11.30 O ATOM 1419 O BGLU A 173 7.053 56.710 -1.037 0.50 11.35 O ATOM 1420 CB AGLU A 173 7.559 53.630 -2.045 0.50 13.00 C ATOM 1421 CB BGLU A 173 7.624 53.557 -2.035 0.50 12.97 C ATOM 1422 CG AGLU A 173 8.051 53.119 -3.384 0.50 15.02 C ATOM 1423 CG BGLU A 173 6.750 53.846 -3.239 0.50 13.99 C ATOM 1424 CD AGLU A 173 8.072 54.131 -4.517 0.50 16.39 C ATOM 1425 CD BGLU A 173 7.464 54.384 -4.468 0.50 16.87 C ATOM 1426 OE1AGLU A 173 7.037 54.775 -4.772 0.50 17.36 O ATOM 1427 OE1BGLU A 173 8.622 54.007 -4.706 0.50 14.84 O ATOM 1428 OE2AGLU A 173 9.123 54.266 -5.142 0.50 14.99 O ATOM 1429 OE2BGLU A 173 6.852 55.181 -5.181 0.50 14.70 O ATOM 1430 N LEU A 174 7.206 55.173 0.624 1.00 9.92 N ATOM 1431 CA LEU A 174 6.352 55.936 1.574 1.00 9.75 C ATOM 1432 C LEU A 174 7.047 57.248 1.939 1.00 9.85 C ATOM 1433 O LEU A 174 6.364 58.262 2.038 1.00 10.45 O ATOM 1434 CB LEU A 174 6.132 55.099 2.835 1.00 10.56 C ATOM 1435 CG LEU A 174 5.335 53.812 2.636 1.00 11.37 C ATOM 1436 CD1 LEU A 174 5.240 53.048 3.949 1.00 16.15 C ATOM 1437 CD2 LEU A 174 3.950 54.107 2.079 1.00 11.86 C ATOM 1438 N VAL A 175 8.361 57.192 2.170 1.00 9.38 N ATOM 1439 CA VAL A 175 9.091 58.405 2.522 1.00 9.92 C ATOM 1440 C VAL A 175 9.018 59.420 1.389 1.00 9.66 C ATOM 1441 O VAL A 175 8.779 60.614 1.611 1.00 10.74 O ATOM 1442 CB VAL A 175 10.539 58.052 2.909 1.00 10.14 C ATOM 1443 CG1 VAL A 175 11.388 59.294 3.034 1.00 12.60 C ATOM 1444 CG2 VAL A 175 10.556 57.276 4.211 1.00 11.31 C ATOM 1445 N ASER A 176 9.195 58.964 0.148 0.69 10.75 N ATOM 1446 N BSER A 176 9.196 58.958 0.147 0.31 10.72 N ATOM 1447 CA ASER A 176 9.143 59.890 -0.975 0.69 11.12 C ATOM 1448 CA BSER A 176 9.144 59.867 -0.993 0.31 11.13 C ATOM 1449 C ASER A 176 7.768 60.524 -1.112 0.69 10.86 C ATOM 1450 C BSER A 176 7.770 60.505 -1.142 0.31 10.77 C ATOM 1451 O ASER A 176 7.659 61.687 -1.518 0.69 12.47 O ATOM 1452 O BSER A 176 7.664 61.651 -1.594 0.31 12.43 O ATOM 1453 CB ASER A 176 9.537 59.176 -2.267 0.69 12.35 C ATOM 1454 CB BSER A 176 9.537 59.135 -2.280 0.31 12.33 C ATOM 1455 OG ASER A 176 10.894 58.778 -2.209 0.69 13.14 O ATOM 1456 OG BSER A 176 8.537 58.215 -2.687 0.31 13.09 O ATOM 1457 N ALA A 177 6.709 59.791 -0.758 1.00 10.27 N ATOM 1458 CA ALA A 177 5.355 60.305 -0.903 1.00 10.80 C ATOM 1459 C ALA A 177 4.922 61.210 0.243 1.00 11.00 C ATOM 1460 O ALA A 177 4.008 62.019 0.062 1.00 13.26 O ATOM 1461 CB ALA A 177 4.371 59.136 -1.001 1.00 12.71 C ATOM 1462 N THR A 178 5.552 61.105 1.412 1.00 10.03 N ATOM 1463 CA THR A 178 5.065 61.795 2.599 1.00 10.28 C ATOM 1464 C THR A 178 6.028 62.824 3.180 1.00 10.03 C ATOM 1465 O THR A 178 5.637 63.540 4.113 1.00 10.57 O ATOM 1466 CB THR A 178 4.694 60.791 3.705 1.00 9.91 C ATOM 1467 OG1 THR A 178 5.848 60.033 4.082 1.00 10.57 O ATOM 1468 CG2 THR A 178 3.572 59.854 3.239 1.00 13.14 C ATOM 1469 N SER A 179 7.260 62.931 2.670 1.00 10.07 N ATOM 1470 CA SER A 179 8.218 63.846 3.282 1.00 11.48 C ATOM 1471 C SER A 179 7.789 65.297 3.138 1.00 10.75 C ATOM 1472 O SER A 179 8.039 66.103 4.039 1.00 11.16 O ATOM 1473 CB SER A 179 9.613 63.645 2.696 1.00 10.88 C ATOM 1474 OG SER A 179 10.202 62.458 3.182 1.00 12.03 O ATOM 1475 N ASN A 180 7.158 65.657 2.019 1.00 10.45 N ATOM 1476 CA ASN A 180 6.662 67.021 1.872 1.00 11.90 C ATOM 1477 C ASN A 180 5.699 67.363 2.993 1.00 11.59 C ATOM 1478 O ASN A 180 5.774 68.449 3.574 1.00 12.24 O ATOM 1479 CB ASN A 180 5.942 67.200 0.530 1.00 12.81 C ATOM 1480 CG ASN A 180 6.886 67.207 -0.671 1.00 16.00 C ATOM 1481 OD1 ASN A 180 8.089 67.387 -0.535 1.00 18.28 O ATOM 1482 ND2 ASN A 180 6.325 67.017 -1.863 1.00 16.80 N ATOM 1483 N ALA A 181 4.777 66.449 3.306 1.00 10.94 N ATOM 1484 CA ALA A 181 3.797 66.716 4.353 1.00 11.19 C ATOM 1485 C ALA A 181 4.466 66.858 5.710 1.00 9.89 C ATOM 1486 O ALA A 181 4.070 67.710 6.517 1.00 11.38 O ATOM 1487 CB ALA A 181 2.757 65.598 4.391 1.00 13.39 C ATOM 1488 N VAL A 182 5.475 66.035 5.983 1.00 9.72 N ATOM 1489 CA VAL A 182 6.169 66.120 7.263 1.00 9.92 C ATOM 1490 C VAL A 182 6.915 67.441 7.379 1.00 9.52 C ATOM 1491 O VAL A 182 6.847 68.130 8.408 1.00 10.54 O ATOM 1492 CB VAL A 182 7.123 64.929 7.435 1.00 9.19 C ATOM 1493 CG1 VAL A 182 7.953 65.104 8.708 1.00 11.38 C ATOM 1494 CG2 VAL A 182 6.359 63.615 7.464 1.00 11.15 C ATOM 1495 N ALA A 183 7.640 67.811 6.317 1.00 10.21 N ATOM 1496 CA ALA A 183 8.401 69.059 6.331 1.00 11.00 C ATOM 1497 C ALA A 183 7.483 70.257 6.502 1.00 12.39 C ATOM 1498 O ALA A 183 7.825 71.218 7.206 1.00 13.72 O ATOM 1499 CB ALA A 183 9.228 69.196 5.050 1.00 11.87 C ATOM 1500 N ALYS A 184 6.298 70.206 5.889 0.51 12.09 N ATOM 1501 N BLYS A 184 6.311 70.226 5.868 0.49 12.06 N ATOM 1502 CA ALYS A 184 5.342 71.303 5.989 0.51 13.92 C ATOM 1503 CA BLYS A 184 5.371 71.330 6.021 0.49 13.90 C ATOM 1504 C ALYS A 184 4.697 71.378 7.369 0.51 15.05 C ATOM 1505 C BLYS A 184 4.813 71.392 7.437 0.49 15.02 C ATOM 1506 O ALYS A 184 4.359 72.472 7.836 0.51 15.93 O ATOM 1507 O BLYS A 184 4.652 72.481 8.000 0.49 15.09 O ATOM 1508 CB ALYS A 184 4.278 71.153 4.899 0.51 14.19 C ATOM 1509 CB BLYS A 184 4.239 71.213 5.000 0.49 14.21 C ATOM 1510 CG ALYS A 184 3.070 72.072 5.035 0.51 18.29 C ATOM 1511 CG BLYS A 184 4.653 71.488 3.564 0.49 16.94 C ATOM 1512 CD ALYS A 184 2.173 71.979 3.807 0.51 21.83 C ATOM 1513 CD BLYS A 184 3.449 71.461 2.636 0.49 19.35 C ATOM 1514 CE ALYS A 184 0.966 72.901 3.921 0.51 23.88 C ATOM 1515 CE BLYS A 184 3.834 70.977 1.249 0.49 24.39 C ATOM 1516 NZ ALYS A 184 0.177 72.944 2.659 0.51 23.94 N ATOM 1517 NZ BLYS A 184 2.725 70.226 0.601 0.49 26.64 N ATOM 1518 N ALA A 185 4.513 70.234 8.029 1.00 11.77 N ATOM 1519 CA ALA A 185 3.922 70.207 9.361 1.00 11.84 C ATOM 1520 C ALA A 185 4.901 70.638 10.445 1.00 11.91 C ATOM 1521 O ALA A 185 4.465 71.079 11.515 1.00 12.88 O ATOM 1522 CB ALA A 185 3.389 68.805 9.669 1.00 11.84 C ATOM 1523 N LEU A 186 6.197 70.484 10.223 1.00 11.63 N ATOM 1524 CA LEU A 186 7.187 70.884 11.214 1.00 11.23 C ATOM 1525 C LEU A 186 7.315 72.398 11.199 1.00 12.92 C ATOM 1526 O LEU A 186 7.674 72.963 10.161 1.00 13.59 O ATOM 1527 CB LEU A 186 8.532 70.263 10.868 1.00 11.97 C ATOM 1528 CG LEU A 186 9.700 70.587 11.809 1.00 12.53 C ATOM 1529 CD1 LEU A 186 9.473 69.977 13.194 1.00 13.23 C ATOM 1530 CD2 LEU A 186 11.015 70.113 11.210 1.00 14.75 C ATOM 1531 N PRO A 187 7.036 73.241 12.330 1.00 13.24 N ATOM 1532 CA PRO A 187 7.155 74.897 12.623 1.00 19.58 C ATOM 1533 C PRO A 187 8.571 75.155 12.081 1.00 16.57 C ATOM 1534 O PRO A 187 9.497 74.418 12.376 1.00 16.55 O ATOM 1535 CB PRO A 187 6.936 74.981 14.117 1.00 19.81 C ATOM 1536 CG PRO A 187 5.930 73.886 14.334 1.00 16.62 C ATOM 1537 CD PRO A 187 6.511 72.694 13.598 1.00 13.38 C ATOM 1538 N ALA A 188 8.731 76.210 11.284 1.00 20.88 N ATOM 1539 CA ALA A 188 10.076 76.573 10.777 1.00 25.13 C ATOM 1540 C ALA A 188 10.946 77.055 11.947 1.00 25.60 C ATOM 1541 O ALA A 188 10.401 77.629 12.900 1.00 33.83 O ATOM 1542 CB ALA A 188 9.962 77.634 9.713 1.00 30.89 C ATOM 1543 N LYS A 189 12.263 76.841 11.861 1.00 37.97 N ATOM 1544 CA LYS A 189 13.192 77.264 12.938 1.00 33.58 C ATOM 1545 C LYS A 189 13.413 78.780 12.869 1.00 34.74 C ATOM 1546 O LYS A 189 13.209 79.338 11.780 1.00 40.22 O ATOM 1547 CB LYS A 189 14.493 76.506 12.837 1.00 31.75 C TER 1548 LYS A 189 HETATM 1549 CD CD A 201 -24.203 8.237 6.693 0.79 11.48 CD HETATM 1550 CD CD A 202 1.065 43.946 11.201 0.61 14.52 CD HETATM 1551 CD CD A 203 -10.011 8.916 1.371 0.41 18.13 CD HETATM 1552 C ACT A 204 -0.079 46.739 10.896 1.00 32.32 C HETATM 1553 O ACT A 204 -0.156 46.084 9.818 1.00 33.66 O HETATM 1554 OXT ACT A 204 0.429 46.394 11.999 1.00 32.42 O HETATM 1555 CH3 ACT A 204 -0.686 48.171 10.882 1.00 24.12 C HETATM 1556 C ACT A 205 2.865 42.718 13.276 1.00 36.83 C HETATM 1557 O ACT A 205 2.325 41.892 12.488 1.00 38.20 O HETATM 1558 OXT ACT A 205 2.548 43.917 13.497 1.00 35.29 O HETATM 1559 CH3 ACT A 205 4.086 42.200 14.095 1.00 32.37 C HETATM 1560 C ACT A 206 -14.145 5.776 9.927 1.00 23.83 C HETATM 1561 O ACT A 206 -13.047 5.151 9.903 1.00 25.07 O HETATM 1562 OXT ACT A 206 -14.514 6.693 10.710 1.00 16.83 O HETATM 1563 CH3 ACT A 206 -15.193 5.377 8.841 1.00 26.70 C HETATM 1564 C ACT A 207 6.945 69.788 -4.036 0.64 27.61 C HETATM 1565 O ACT A 207 6.987 70.980 -3.617 0.64 31.73 O HETATM 1566 OXT ACT A 207 7.429 68.746 -3.517 0.64 31.32 O HETATM 1567 CH3 ACT A 207 6.198 69.551 -5.379 0.64 24.60 C HETATM 1568 O HOH A 301 3.733 41.128 10.903 1.00 46.33 O HETATM 1569 O HOH A 302 8.662 73.152 8.070 1.00 17.53 O HETATM 1570 O HOH A 303 9.418 7.432 12.194 1.00 30.21 O HETATM 1571 O HOH A 304 6.466 57.561 -3.575 1.00 15.70 O HETATM 1572 O HOH A 305 -13.943 11.476 29.103 1.00 17.97 O HETATM 1573 O HOH A 306 -7.663 33.352 7.385 1.00 24.68 O HETATM 1574 O HOH A 307 0.143 43.902 13.790 1.00 33.19 O HETATM 1575 O HOH A 308 -19.461 14.356 12.359 1.00 23.38 O HETATM 1576 O HOH A 309 -18.846 34.921 4.735 1.00 40.46 O HETATM 1577 O HOH A 310 14.089 52.622 -7.063 1.00 23.92 O HETATM 1578 O HOH A 311 -1.453 32.774 14.285 1.00 17.97 O HETATM 1579 O HOH A 312 8.456 38.191 20.350 1.00 28.72 O HETATM 1580 O HOH A 313 -2.803 5.095 19.484 1.00 30.67 O HETATM 1581 O HOH A 314 -20.132 7.852 6.859 1.00 17.57 O HETATM 1582 O HOH A 315 -18.403 20.479 14.208 1.00 29.99 O HETATM 1583 O HOH A 316 -17.001 17.001 0.000 0.50 31.30 O HETATM 1584 O HOH A 317 -4.467 13.896 32.004 1.00 37.47 O HETATM 1585 O HOH A 318 -17.813 13.607 20.492 1.00 20.97 O HETATM 1586 O HOH A 319 -0.758 15.174 31.829 1.00 27.76 O HETATM 1587 O HOH A 320 -19.229 13.028 23.824 1.00 18.29 O HETATM 1588 O HOH A 321 -19.060 23.082 5.821 1.00 24.03 O HETATM 1589 O HOH A 322 8.104 15.435 27.380 1.00 28.09 O HETATM 1590 O HOH A 323 16.889 28.340 0.271 1.00 17.14 O HETATM 1591 O HOH A 324 -18.519 30.912 2.947 1.00 36.76 O HETATM 1592 O HOH A 325 11.807 30.766 21.352 1.00 13.17 O HETATM 1593 O HOH A 326 9.006 57.357 -5.106 1.00 21.41 O HETATM 1594 O HOH A 327 17.123 21.863 19.836 1.00 29.76 O HETATM 1595 O HOH A 328 13.556 17.004 19.691 1.00 27.76 O HETATM 1596 O HOH A 329 -1.120 32.974 22.129 1.00 26.38 O HETATM 1597 O HOH A 330 -20.197 17.929 10.536 1.00 27.98 O HETATM 1598 O HOH A 331 6.506 74.334 7.771 1.00 25.70 O HETATM 1599 O HOH A 332 5.573 29.252 28.232 1.00 13.04 O HETATM 1600 O HOH A 333 -4.888 20.184 32.831 1.00 15.66 O HETATM 1601 O HOH A 334 18.420 29.451 16.855 1.00 14.37 O HETATM 1602 O HOH A 335 7.729 20.198 6.159 1.00 12.32 O HETATM 1603 O HOH A 336 17.834 52.875 -1.514 1.00 35.22 O HETATM 1604 O HOH A 337 -1.037 39.256 5.359 1.00 35.17 O HETATM 1605 O HOH A 338 24.146 33.584 10.935 1.00 29.50 O HETATM 1606 O HOH A 339 -4.317 25.509 -5.465 1.00 17.58 O HETATM 1607 O HOH A 340 -16.909 4.772 6.139 1.00 33.28 O HETATM 1608 O HOH A 341 -18.942 25.012 7.790 1.00 24.22 O HETATM 1609 O HOH A 342 -2.592 30.073 24.004 1.00 16.24 O HETATM 1610 O HOH A 343 -0.569 20.480 -2.058 1.00 30.45 O HETATM 1611 O HOH A 344 10.579 28.028 2.477 1.00 13.79 O HETATM 1612 O HOH A 345 -17.226 14.461 8.921 1.00 13.67 O HETATM 1613 O HOH A 346 7.308 64.112 -0.408 1.00 16.81 O HETATM 1614 O HOH A 347 -9.724 15.572 32.465 1.00 27.14 O HETATM 1615 O HOH A 348 1.978 71.989 12.004 1.00 17.59 O HETATM 1616 O HOH A 349 6.236 26.362 30.615 1.00 17.22 O HETATM 1617 O HOH A 350 2.809 62.555 -2.300 1.00 34.67 O HETATM 1618 O HOH A 351 2.016 27.616 12.135 1.00 11.75 O HETATM 1619 O HOH A 352 19.083 33.812 7.336 1.00 14.24 O HETATM 1620 O HOH A 353 2.501 29.372 15.214 1.00 10.03 O HETATM 1621 O HOH A 354 12.116 23.897 2.295 1.00 20.14 O HETATM 1622 O HOH A 355 16.402 22.123 10.574 1.00 13.97 O HETATM 1623 O HOH A 356 -13.481 15.838 23.060 1.00 12.57 O HETATM 1624 O HOH A 357 18.851 23.700 14.142 1.00 17.20 O HETATM 1625 O HOH A 358 -2.374 41.029 3.814 1.00 32.21 O HETATM 1626 O HOH A 359 -18.493 5.425 15.675 1.00 25.53 O HETATM 1627 O HOH A 360 -15.129 9.222 25.160 1.00 23.41 O HETATM 1628 O HOH A 361 15.691 22.741 5.018 1.00 16.98 O HETATM 1629 O HOH A 362 1.441 9.362 19.034 1.00 20.76 O HETATM 1630 O HOH A 363 26.988 30.401 8.799 1.00 21.06 O HETATM 1631 O HOH A 364 5.938 17.120 26.879 1.00 19.11 O HETATM 1632 O HOH A 365 14.351 12.685 13.055 1.00 23.98 O HETATM 1633 O HOH A 366 -2.993 39.431 0.831 1.00 37.38 O HETATM 1634 O HOH A 367 -10.430 13.032 27.370 1.00 25.13 O HETATM 1635 O HOH A 368 -2.984 38.518 -1.590 1.00 30.28 O HETATM 1636 O HOH A 369 -14.090 28.370 4.042 1.00 13.71 O HETATM 1637 O HOH A 370 9.568 37.140 2.520 1.00 28.23 O HETATM 1638 O HOH A 371 -15.334 35.340 4.438 1.00 28.99 O HETATM 1639 O HOH A 372 8.923 22.684 6.313 1.00 11.25 O HETATM 1640 O HOH A 373 21.369 28.337 11.411 1.00 17.34 O HETATM 1641 O HOH A 374 4.870 13.318 3.982 1.00 29.66 O HETATM 1642 O HOH A 375 -14.502 19.206 22.584 1.00 18.57 O HETATM 1643 O HOH A 376 -1.927 22.904 0.597 1.00 12.12 O HETATM 1644 O HOH A 377 -6.780 6.866 17.680 1.00 19.68 O HETATM 1645 O HOH A 378 -20.796 7.592 11.522 1.00 17.64 O HETATM 1646 O HOH A 379 -16.625 20.661 16.182 1.00 24.98 O HETATM 1647 O HOH A 380 15.167 17.936 8.390 1.00 20.57 O HETATM 1648 O HOH A 381 -0.732 29.189 25.860 1.00 14.75 O HETATM 1649 O HOH A 382 -9.235 34.255 16.037 1.00 34.00 O HETATM 1650 O HOH A 383 1.516 68.790 6.261 1.00 21.95 O HETATM 1651 O HOH A 384 6.097 26.917 26.747 1.00 13.62 O HETATM 1652 O HOH A 385 -15.219 28.123 11.531 1.00 23.01 O HETATM 1653 O HOH A 386 -8.885 28.728 8.863 1.00 15.30 O HETATM 1654 O HOH A 387 -15.781 21.414 3.023 1.00 16.49 O HETATM 1655 O HOH A 388 3.883 64.590 1.167 1.00 14.34 O HETATM 1656 O HOH A 389 7.851 29.824 20.774 1.00 11.26 O HETATM 1657 O HOH A 390 8.785 7.949 18.405 1.00 31.66 O HETATM 1658 O HOH A 391 -18.081 22.030 10.285 1.00 20.70 O HETATM 1659 O HOH A 392 -17.021 7.953 10.713 1.00 13.00 O HETATM 1660 O HOH A 393 -18.433 7.547 13.004 1.00 15.35 O HETATM 1661 O HOH A 394 2.670 35.718 18.142 1.00 26.35 O HETATM 1662 O HOH A 395 3.229 9.092 17.213 1.00 28.96 O HETATM 1663 O HOH A 396 0.264 9.365 12.522 1.00 21.20 O HETATM 1664 O HOH A 397 0.906 21.702 28.577 1.00 13.05 O HETATM 1665 O HOH A 398 -11.184 37.131 13.008 1.00 32.43 O HETATM 1666 O HOH A 399 15.569 37.001 13.895 1.00 26.01 O HETATM 1667 O HOH A 400 10.412 13.001 7.802 1.00 25.79 O HETATM 1668 O HOH A 401 -21.705 11.574 6.494 1.00 31.92 O HETATM 1669 O HOH A 402 -18.662 16.431 2.065 1.00 28.76 O HETATM 1670 O HOH A 403 15.059 37.775 0.962 1.00 29.54 O HETATM 1671 O HOH A 404 -8.207 13.856 26.019 1.00 14.67 O HETATM 1672 O HOH A 405 12.859 58.022 -0.306 1.00 27.94 O HETATM 1673 O HOH A 406 10.723 23.374 25.137 1.00 21.79 O HETATM 1674 O HOH A 407 3.065 22.174 12.772 1.00 9.30 O HETATM 1675 O HOH A 408 1.781 33.395 21.464 1.00 16.12 O HETATM 1676 O HOH A 409 -22.210 3.019 9.213 1.00 24.46 O HETATM 1677 O HOH A 410 -1.428 22.801 29.880 1.00 12.76 O HETATM 1678 O HOH A 411 -6.550 8.067 20.465 1.00 25.76 O HETATM 1679 O HOH A 412 20.084 23.060 16.467 1.00 18.12 O HETATM 1680 O HOH A 413 -20.217 14.732 9.633 1.00 26.67 O HETATM 1681 O HOH A 414 -7.979 32.815 18.635 1.00 21.22 O HETATM 1682 O HOH A 415 13.003 44.585 2.873 1.00 15.98 O HETATM 1683 O HOH A 416 -14.330 22.512 13.772 1.00 21.37 O HETATM 1684 O HOH A 417 -4.619 27.034 -7.763 1.00 13.74 O HETATM 1685 O HOH A 418 9.379 19.679 4.102 1.00 16.23 O HETATM 1686 O HOH A 419 2.548 25.828 5.363 1.00 12.42 O HETATM 1687 O HOH A 420 15.789 20.354 12.622 1.00 14.83 O HETATM 1688 O HOH A 421 11.138 29.761 18.843 1.00 12.12 O HETATM 1689 O HOH A 422 -8.304 38.704 -0.977 1.00 29.32 O HETATM 1690 O HOH A 423 -14.421 23.112 18.608 1.00 21.49 O HETATM 1691 O HOH A 424 7.083 9.678 9.985 1.00 29.05 O HETATM 1692 O HOH A 425 7.976 22.387 -1.559 1.00 31.03 O HETATM 1693 O HOH A 426 -11.680 22.243 23.477 1.00 26.42 O HETATM 1694 O HOH A 427 3.754 11.300 6.321 1.00 24.92 O HETATM 1695 O HOH A 428 6.312 10.504 24.747 1.00 24.94 O HETATM 1696 O HOH A 429 -12.101 29.591 16.254 1.00 31.10 O HETATM 1697 O HOH A 430 11.182 56.342 -3.784 1.00 29.02 O HETATM 1698 O HOH A 431 -12.460 9.316 25.733 1.00 19.00 O HETATM 1699 O HOH A 432 -6.000 12.484 26.662 1.00 18.67 O HETATM 1700 O HOH A 433 10.376 39.112 18.389 1.00 34.23 O HETATM 1701 O HOH A 434 7.555 20.012 -0.416 1.00 32.13 O HETATM 1702 O HOH A 435 -16.446 20.059 18.964 1.00 29.28 O HETATM 1703 O HOH A 436 2.573 19.501 1.038 1.00 17.63 O HETATM 1704 O HOH A 437 -0.990 27.825 -5.434 1.00 25.82 O HETATM 1705 O HOH A 438 1.361 61.835 1.304 1.00 24.51 O HETATM 1706 O HOH A 439 10.498 73.160 9.390 1.00 28.11 O HETATM 1707 O HOH A 440 15.354 19.309 19.139 1.00 26.61 O HETATM 1708 O HOH A 441 -6.898 26.618 23.814 1.00 20.59 O HETATM 1709 O HOH A 442 -16.950 21.973 12.982 1.00 26.20 O HETATM 1710 O HOH A 443 1.333 9.207 15.170 1.00 21.33 O HETATM 1711 O HOH A 444 -5.406 6.580 22.251 1.00 29.26 O HETATM 1712 O HOH A 445 -14.197 25.116 13.798 1.00 19.90 O HETATM 1713 O HOH A 446 -0.803 47.625 7.369 1.00 30.91 O HETATM 1714 O HOH A 447 4.000 28.128 5.606 1.00 14.89 O HETATM 1715 O HOH A 448 16.675 51.148 -3.063 1.00 33.99 O HETATM 1716 O HOH A 449 -10.422 29.569 -7.233 1.00 13.51 O HETATM 1717 O HOH A 450 4.714 29.633 7.626 1.00 23.60 O HETATM 1718 O HOH A 451 1.746 29.587 0.899 1.00 26.15 O HETATM 1719 O HOH A 452 -9.152 5.745 16.731 1.00 25.12 O HETATM 1720 O HOH A 453 13.749 23.447 25.439 1.00 34.96 O HETATM 1721 O HOH A 454 7.306 70.550 1.975 1.00 27.52 O HETATM 1722 O HOH A 455 21.449 33.465 4.432 1.00 17.89 O HETATM 1723 O HOH A 456 -18.736 4.480 12.896 1.00 29.34 O HETATM 1724 O HOH A 457 4.651 19.718 -0.834 1.00 29.11 O HETATM 1725 O HOH A 458 -0.430 20.527 0.787 1.00 19.65 O HETATM 1726 O HOH A 459 -11.155 42.032 -2.317 1.00 18.41 O HETATM 1727 O HOH A 460 8.846 26.511 0.834 1.00 19.88 O HETATM 1728 O HOH A 461 0.877 14.157 3.153 1.00 32.52 O HETATM 1729 O HOH A 462 9.812 20.726 25.287 1.00 26.02 O HETATM 1730 O HOH A 463 1.898 23.698 31.260 1.00 30.98 O HETATM 1731 O HOH A 464 -19.733 3.304 17.122 1.00 35.71 O HETATM 1732 O HOH A 465 15.091 24.045 2.582 1.00 26.76 O HETATM 1733 O HOH A 466 -12.552 15.751 30.795 1.00 23.13 O HETATM 1734 O HOH A 467 -5.435 9.691 28.021 1.00 33.20 O HETATM 1735 O HOH A 468 4.655 64.235 -2.372 1.00 29.81 O HETATM 1736 O HOH A 469 -20.038 15.909 21.369 1.00 29.24 O HETATM 1737 O HOH A 470 6.480 60.089 -4.464 1.00 19.54 O HETATM 1738 O HOH A 471 -19.917 10.164 5.970 1.00 21.26 O HETATM 1739 O HOH A 472 -19.105 6.836 9.183 1.00 19.02 O HETATM 1740 O HOH A 473 17.932 17.795 18.428 1.00 34.00 O HETATM 1741 O HOH A 474 -9.427 39.746 1.296 1.00 30.48 O HETATM 1742 O HOH A 475 -1.545 27.410 30.482 1.00 29.87 O HETATM 1743 O HOH A 476 -1.249 22.215 -3.432 1.00 26.49 O HETATM 1744 O HOH A 477 -19.463 16.792 -1.433 1.00 28.98 O HETATM 1745 O HOH A 478 -9.848 7.592 21.793 1.00 31.57 O HETATM 1746 O HOH A 479 -2.589 21.660 32.420 1.00 20.52 O HETATM 1747 O HOH A 480 -20.496 21.311 13.613 1.00 34.94 O HETATM 1748 O HOH A 481 -9.687 23.692 26.309 1.00 26.80 O HETATM 1749 O HOH A 482 15.502 40.559 2.817 1.00 32.72 O HETATM 1750 O HOH A 483 -11.788 10.565 28.003 1.00 31.21 O HETATM 1751 O HOH A 484 15.034 15.197 8.895 1.00 29.60 O HETATM 1752 O HOH A 485 11.533 21.267 3.586 1.00 23.89 O HETATM 1753 O HOH A 486 13.864 20.629 4.999 1.00 19.06 O HETATM 1754 O HOH A 487 2.190 66.591 0.338 1.00 32.88 O HETATM 1755 O HOH A 488 -8.604 26.218 22.070 1.00 28.01 O HETATM 1756 O HOH A 489 23.571 31.967 3.639 1.00 29.03 O HETATM 1757 O HOH A 490 12.056 28.707 0.287 1.00 23.53 O HETATM 1758 O HOH A 491 -9.789 13.704 30.217 1.00 31.37 O HETATM 1759 O HOH A 492 11.609 24.287 -0.262 1.00 32.77 O HETATM 1760 O HOH A 493 14.358 27.810 -0.960 1.00 27.83 O HETATM 1761 O HOH A 494 -10.392 44.615 -3.170 1.00 28.72 O HETATM 1762 O HOH A 495 6.401 24.706 28.487 1.00 21.78 O HETATM 1763 O HOH A 496 18.824 22.491 11.636 1.00 23.19 O HETATM 1764 O HOH A 497 -19.223 16.132 23.749 1.00 32.53 O HETATM 1765 O HOH A 498 -3.883 48.137 7.528 1.00 34.26 O HETATM 1766 O HOH A 499 -16.060 34.983 1.675 1.00 33.69 O HETATM 1767 O HOH A 500 3.309 19.091 28.337 1.00 28.80 O HETATM 1768 O HOH A 501 -15.338 15.338 30.505 0.50 27.23 O HETATM 1769 O HOH A 502 -5.288 29.598 24.633 1.00 24.12 O HETATM 1770 O HOH A 503 14.014 57.024 1.410 1.00 23.90 O HETATM 1771 O HOH A 504 1.121 6.859 19.820 1.00 27.37 O HETATM 1772 O HOH A 505 -6.437 39.349 -6.229 1.00 29.96 O HETATM 1773 O HOH A 506 3.780 29.659 3.209 1.00 27.24 O HETATM 1774 O HOH A 507 -16.528 19.640 24.293 1.00 31.86 O HETATM 1775 O HOH A 508 7.168 29.009 0.817 1.00 36.86 O HETATM 1776 O HOH A 509 20.119 22.581 4.677 1.00 34.89 O HETATM 1777 O HOH A 510 -4.938 4.881 17.688 1.00 21.43 O HETATM 1778 O HOH A 511 -19.564 24.203 10.321 1.00 31.92 O HETATM 1779 O HOH A 512 -18.176 22.599 2.693 1.00 31.36 O HETATM 1780 O HOH A 513 0.404 6.664 15.483 1.00 29.17 O HETATM 1781 O HOH A 514 14.665 18.242 5.653 1.00 28.72 O HETATM 1782 O HOH A 515 -1.550 5.771 13.868 1.00 25.29 O HETATM 1783 O HOH A 516 -2.180 27.525 -8.966 1.00 26.72 O HETATM 1784 O HOH A 517 -0.031 63.971 1.736 1.00 32.49 O HETATM 1785 O HOH A 518 5.769 29.331 -1.292 1.00 33.90 O HETATM 1786 O HOH A 519 9.700 16.919 3.429 1.00 27.68 O HETATM 1787 O HOH A 520 -10.797 6.881 25.779 1.00 34.14 O HETATM 1788 O HOH A 521 2.964 75.843 15.282 1.00 30.37 O CONECT 1 1549 CONECT 6 1549 CONECT 297 1551 CONECT 1341 1550 CONECT 1361 1550 CONECT 1549 1 6 CONECT 1550 1341 1361 1554 CONECT 1551 297 CONECT 1552 1553 1554 1555 CONECT 1553 1552 CONECT 1554 1550 1552 CONECT 1555 1552 CONECT 1556 1557 1558 1559 CONECT 1557 1556 CONECT 1558 1556 CONECT 1559 1556 CONECT 1560 1561 1562 1563 CONECT 1561 1560 CONECT 1562 1560 CONECT 1563 1560 CONECT 1564 1565 1566 1567 CONECT 1565 1564 CONECT 1566 1564 CONECT 1567 1564 MASTER 406 0 7 12 5 0 11 6 1684 1 24 15 END