HEADER TRANSFERASE 25-MAR-09 3A0X TITLE CATALYTIC DOMAIN OF HISTIDINE KINASE THKA (TM1359) TITLE 2 (NUCLEOTIDE FREE FORM 1: AMMOMIUM PHOSPHATE, MONOCLINIC) COMPND MOL_ID: 1; COMPND 2 MOLECULE: SENSOR PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CATALYTIC DOMAIN; COMPND 5 SYNONYM: HISTIDINE KINASE THKA; COMPND 6 EC: 2.7.13.3; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; SOURCE 3 ORGANISM_TAXID: 2336; SOURCE 4 GENE: TM_1359; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) CODONPLUS RIL; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PRSETA KEYWDS ATP-LID, KINASE, PHOSPHOPROTEIN, TRANSFERASE, TWO-COMPONENT KEYWDS 2 REGULATORY SYSTEM EXPDTA X-RAY DIFFRACTION AUTHOR S.YAMADA,H.SUGIMOTO,M.KOBAYASHI,A.OHNO,H.NAKAMURA,Y.SHIRO REVDAT 2 17-NOV-09 3A0X 1 JRNL REVDAT 1 20-OCT-09 3A0X 0 JRNL AUTH S.YAMADA,H.SUGIMOTO,M.KOBAYASHI,A.OHNO,H.NAKAMURA, JRNL AUTH 2 Y.SHIRO JRNL TITL STRUCTURE OF PAS-LINKED HISTIDINE KINASE AND THE JRNL TITL 2 RESPONSE REGULATOR COMPLEX JRNL REF STRUCTURE V. 17 1333 2009 JRNL REFN ISSN 0969-2126 JRNL PMID 19836334 JRNL DOI 10.1016/J.STR.2009.07.016 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.89 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.89 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 37.56 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 93.9 REMARK 3 NUMBER OF REFLECTIONS : 10072 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.218 REMARK 3 R VALUE (WORKING SET) : 0.214 REMARK 3 FREE R VALUE : 0.287 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 REMARK 3 FREE R VALUE TEST SET COUNT : 485 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.89 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.94 REMARK 3 REFLECTION IN BIN (WORKING SET) : 655 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 85.45 REMARK 3 BIN R VALUE (WORKING SET) : 0.2380 REMARK 3 BIN FREE R VALUE SET COUNT : 26 REMARK 3 BIN FREE R VALUE : 0.2520 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1254 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 96 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 22.10 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 27.85 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 1.72000 REMARK 3 B22 (A**2) : 0.38000 REMARK 3 B33 (A**2) : -1.74000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.48000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.238 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.211 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.144 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 9.531 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.938 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.900 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1278 ; 0.011 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1726 ; 1.580 ; 1.963 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 153 ; 5.922 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 65 ;35.820 ;24.923 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 253 ;16.569 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 9 ;18.629 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 196 ; 0.110 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 949 ; 0.007 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 600 ; 0.211 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 897 ; 0.310 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 72 ; 0.194 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 55 ; 0.191 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 10 ; 0.169 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 792 ; 1.119 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1248 ; 1.537 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 555 ; 2.321 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 476 ; 3.627 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3A0X COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 02-APR-09. REMARK 100 THE RCSB ID CODE IS RCSB028672. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 05-JUL-07 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SPRING-8 REMARK 200 BEAMLINE : BL44B2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 REMARK 200 MONOCHROMATOR : SI 111 DOUBLE CRYSTAL REMARK 200 MONOCHROMATOR REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 210 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 10091 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.890 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 94.6 REMARK 200 DATA REDUNDANCY : 3.000 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.04900 REMARK 200 FOR THE DATA SET : 15.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.97 REMARK 200 COMPLETENESS FOR SHELL (%) : 94.6 REMARK 200 DATA REDUNDANCY IN SHELL : 2.60 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.28400 REMARK 200 FOR SHELL : 3.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: 3A0W REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 34.89 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.89 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.4M AMMONIUM PHOSPHATE, VAPOR REMARK 280 DIFFUSION, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-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 23.06400 REMARK 290 SMTRY3 2 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA 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 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 GLU A 753 REMARK 465 LYS A 754 REMARK 465 ARG A 755 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 GLU A 605 96.96 36.72 REMARK 500 LEU A 642 79.08 -111.65 REMARK 500 MET A 679 54.66 -118.13 REMARK 500 TYR A 680 -79.07 74.32 REMARK 500 GLU A 697 -32.94 157.77 REMARK 500 LYS A 701 -39.17 -38.28 REMARK 500 GLU A 739 -139.88 40.98 REMARK 500 ASN A 740 45.03 -86.21 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3A0R RELATED DB: PDB REMARK 900 STRUCTURE OF HISTIDINE KINASE THKA (TM1359) IN COMPLEX WITH REMARK 900 RESPONSE REGULATOR PROTEIN TRRA (TM1360) REMARK 900 RELATED ID: 3A0S RELATED DB: PDB REMARK 900 PAS DOMAIN OF HISTIDINE KINASE THKA (TM1359) (WILD TYPE) REMARK 900 RELATED ID: 3A0T RELATED DB: PDB REMARK 900 CATALYTIC DOMAIN OF HISTIDINE KINASE THKA (TM1359) IN REMARK 900 COMPLEX WITH ADP AND MG ION (TRIGONAL) REMARK 900 RELATED ID: 3A0U RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF RESPONSE REGULATOR PROTEIN TRRA REMARK 900 (TM1360) FROM THERMOTOGA MARITIMA IN COMPLEX WITH MG(2+)-BEF REMARK 900 RELATED ID: 3A0V RELATED DB: PDB REMARK 900 PAS DOMAIN OF HISTIDINE KINASE THKA (TM1359) FOR MAD REMARK 900 PHASING (SEMET, F486M/F489M) REMARK 900 RELATED ID: 3A0W RELATED DB: PDB REMARK 900 CATALYTIC DOMAIN OF HISTIDINE KINASE THKA (TM1359) FOR MAD REMARK 900 PHASING (NUCLEOTIDE FREE FORM 2: MPD, ORTHOROMBIC) DBREF 3A0X A 605 755 UNP Q9X180 Q9X180_THEMA 605 755 SEQADV 3A0X MET A 604 UNP Q9X180 EXPRESSION TAG SEQRES 1 A 152 MET GLU PHE THR GLU PHE ASN LEU ASN GLU LEU ILE ARG SEQRES 2 A 152 GLU VAL TYR VAL LEU PHE GLU GLU LYS ILE ARG LYS MET SEQRES 3 A 152 ASN ILE ASP PHE CYS PHE GLU THR ASP ASN GLU ASP LEU SEQRES 4 A 152 ARG VAL GLU ALA ASP ARG THR ARG ILE LYS GLN VAL LEU SEQRES 5 A 152 ILE ASN LEU VAL GLN ASN ALA ILE GLU ALA THR GLY GLU SEQRES 6 A 152 ASN GLY LYS ILE LYS ILE THR SER GLU ASP MET TYR THR SEQRES 7 A 152 LYS VAL ARG VAL SER VAL TRP ASN SER GLY PRO PRO ILE SEQRES 8 A 152 PRO GLU GLU LEU LYS GLU LYS ILE PHE SER PRO PHE PHE SEQRES 9 A 152 THR THR LYS THR GLN GLY THR GLY LEU GLY LEU SER ILE SEQRES 10 A 152 CYS ARG LYS ILE ILE GLU ASP GLU HIS GLY GLY LYS ILE SEQRES 11 A 152 TRP THR GLU ASN ARG GLU ASN GLY VAL VAL PHE ILE PHE SEQRES 12 A 152 GLU ILE PRO LYS THR PRO GLU LYS ARG FORMUL 2 HOH *96(H2 O) HELIX 1 1 LEU A 611 MET A 629 1 19 HELIX 2 2 ASP A 647 GLY A 667 1 21 HELIX 3 3 GLU A 697 ILE A 702 1 6 HELIX 4 4 GLY A 717 ASP A 727 1 11 SHEET 1 A 2 THR A 607 ASN A 610 0 SHEET 2 A 2 ARG A 643 ALA A 646 -1 O VAL A 644 N PHE A 609 SHEET 1 B 5 ASP A 632 THR A 637 0 SHEET 2 B 5 LYS A 671 MET A 679 1 O ILE A 674 N CYS A 634 SHEET 3 B 5 LYS A 682 SER A 690 -1 O TRP A 688 N LYS A 673 SHEET 4 B 5 GLY A 741 PRO A 749 -1 O PHE A 744 N VAL A 687 SHEET 5 B 5 LYS A 732 ARG A 738 -1 N ARG A 738 O GLY A 741 CRYST1 40.593 46.128 38.650 90.00 112.26 90.00 P 1 21 1 2 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 0.024635 0.000000 0.010085 0.00000 SCALE2 0.000000 0.021679 0.000000 0.00000 SCALE3 0.000000 0.000000 0.027958 0.00000 ATOM 1 N AMET A 604 28.870 -2.863 22.850 0.50 41.16 N ATOM 2 N BMET A 604 27.317 -1.801 21.370 0.50 40.31 N ATOM 3 CA AMET A 604 28.357 -2.280 21.574 0.50 41.42 C ATOM 4 CA BMET A 604 28.394 -2.764 21.729 0.50 40.60 C ATOM 5 C AMET A 604 29.085 -2.840 20.354 0.50 40.88 C ATOM 6 C BMET A 604 29.164 -3.236 20.494 0.50 40.49 C ATOM 7 O AMET A 604 28.445 -3.323 19.419 0.50 41.62 O ATOM 8 O BMET A 604 28.636 -3.975 19.661 0.50 41.09 O ATOM 9 CB AMET A 604 28.492 -0.755 21.590 0.50 41.38 C ATOM 10 CB BMET A 604 27.853 -3.931 22.572 0.50 40.56 C ATOM 11 CG AMET A 604 28.083 -0.085 22.896 0.50 41.93 C ATOM 12 CG BMET A 604 26.765 -4.798 21.937 0.50 40.60 C ATOM 13 SD AMET A 604 28.122 1.717 22.784 0.50 42.12 S ATOM 14 SD BMET A 604 25.063 -4.199 22.056 0.50 41.67 S ATOM 15 CE AMET A 604 29.887 2.036 22.814 0.50 41.99 C ATOM 16 CE BMET A 604 24.691 -4.431 23.794 0.50 39.75 C ATOM 17 N GLU A 605 30.417 -2.795 20.395 1.00 40.47 N ATOM 18 CA GLU A 605 31.295 -3.078 19.241 1.00 39.13 C ATOM 19 C GLU A 605 30.768 -2.591 17.881 1.00 37.08 C ATOM 20 O GLU A 605 29.944 -3.236 17.214 1.00 37.68 O ATOM 21 CB GLU A 605 31.849 -4.514 19.228 1.00 39.48 C ATOM 22 CG GLU A 605 32.932 -4.811 18.173 1.00 40.31 C ATOM 23 CD GLU A 605 34.157 -3.899 18.236 1.00 40.10 C ATOM 24 OE1 GLU A 605 34.098 -2.774 17.679 1.00 39.23 O ATOM 25 OE2 GLU A 605 35.201 -4.313 18.812 1.00 43.93 O ATOM 26 N PHE A 606 31.252 -1.419 17.493 1.00 34.61 N ATOM 27 CA PHE A 606 30.879 -0.790 16.233 1.00 32.54 C ATOM 28 C PHE A 606 31.753 -1.303 15.090 1.00 30.44 C ATOM 29 O PHE A 606 32.988 -1.299 15.185 1.00 29.14 O ATOM 30 CB PHE A 606 30.979 0.731 16.362 1.00 32.98 C ATOM 31 CG PHE A 606 29.773 1.378 17.000 1.00 35.30 C ATOM 32 CD1 PHE A 606 29.148 0.809 18.111 1.00 36.44 C ATOM 33 CD2 PHE A 606 29.284 2.574 16.503 1.00 34.53 C ATOM 34 CE1 PHE A 606 28.056 1.424 18.706 1.00 36.87 C ATOM 35 CE2 PHE A 606 28.196 3.197 17.093 1.00 36.58 C ATOM 36 CZ PHE A 606 27.579 2.619 18.201 1.00 35.64 C ATOM 37 N THR A 607 31.094 -1.761 14.027 1.00 27.91 N ATOM 38 CA THR A 607 31.757 -2.285 12.832 1.00 25.98 C ATOM 39 C THR A 607 31.266 -1.528 11.613 1.00 26.33 C ATOM 40 O THR A 607 30.143 -1.004 11.633 1.00 24.38 O ATOM 41 CB THR A 607 31.408 -3.780 12.598 1.00 26.40 C ATOM 42 OG1 THR A 607 29.982 -3.925 12.466 1.00 25.42 O ATOM 43 CG2 THR A 607 31.915 -4.676 13.737 1.00 25.57 C ATOM 44 N GLU A 608 32.061 -1.518 10.546 1.00 25.28 N ATOM 45 CA GLU A 608 31.625 -0.894 9.288 1.00 26.08 C ATOM 46 C GLU A 608 30.948 -1.924 8.388 1.00 25.91 C ATOM 47 O GLU A 608 31.544 -2.949 8.063 1.00 25.33 O ATOM 48 CB GLU A 608 32.811 -0.301 8.542 1.00 26.44 C ATOM 49 CG GLU A 608 32.417 0.530 7.344 1.00 29.14 C ATOM 50 CD GLU A 608 33.626 0.979 6.578 1.00 33.18 C ATOM 51 OE1 GLU A 608 34.407 1.799 7.109 1.00 34.89 O ATOM 52 OE2 GLU A 608 33.812 0.484 5.448 1.00 35.98 O ATOM 53 N PHE A 609 29.717 -1.636 7.978 1.00 25.41 N ATOM 54 CA PHE A 609 28.949 -2.575 7.162 1.00 25.63 C ATOM 55 C PHE A 609 27.998 -1.861 6.208 1.00 25.61 C ATOM 56 O PHE A 609 27.736 -0.669 6.358 1.00 25.51 O ATOM 57 CB PHE A 609 28.153 -3.555 8.040 1.00 25.97 C ATOM 58 CG PHE A 609 27.186 -2.888 8.987 1.00 26.18 C ATOM 59 CD1 PHE A 609 27.611 -2.443 10.244 1.00 26.07 C ATOM 60 CD2 PHE A 609 25.843 -2.709 8.627 1.00 29.88 C ATOM 61 CE1 PHE A 609 26.725 -1.831 11.120 1.00 26.82 C ATOM 62 CE2 PHE A 609 24.958 -2.104 9.489 1.00 25.92 C ATOM 63 CZ PHE A 609 25.376 -1.662 10.727 1.00 27.48 C ATOM 64 N ASN A 610 27.533 -2.614 5.217 1.00 25.06 N ATOM 65 CA ASN A 610 26.519 -2.171 4.281 1.00 26.31 C ATOM 66 C ASN A 610 25.163 -2.351 4.961 1.00 26.13 C ATOM 67 O ASN A 610 24.692 -3.459 5.207 1.00 26.54 O ATOM 68 CB ASN A 610 26.587 -2.926 2.950 1.00 26.19 C ATOM 69 CG ASN A 610 25.605 -2.386 1.924 1.00 25.05 C ATOM 70 OD1 ASN A 610 24.855 -1.443 2.199 1.00 25.16 O ATOM 71 ND2 ASN A 610 25.597 -2.978 0.743 1.00 27.14 N ATOM 72 N LEU A 611 24.568 -1.219 5.290 1.00 26.19 N ATOM 73 CA LEU A 611 23.324 -1.173 5.994 1.00 25.19 C ATOM 74 C LEU A 611 22.253 -1.891 5.191 1.00 24.77 C ATOM 75 O LEU A 611 21.363 -2.521 5.771 1.00 22.85 O ATOM 76 CB LEU A 611 22.923 0.279 6.191 1.00 26.55 C ATOM 77 CG LEU A 611 21.576 0.522 6.889 1.00 25.51 C ATOM 78 CD1 LEU A 611 21.457 -0.262 8.175 1.00 26.11 C ATOM 79 CD2 LEU A 611 21.404 2.010 7.162 1.00 27.37 C ATOM 80 N ASN A 612 22.404 -1.851 3.872 1.00 24.46 N ATOM 81 CA ASN A 612 21.438 -2.470 2.969 1.00 24.15 C ATOM 82 C ASN A 612 21.528 -3.993 3.082 1.00 24.92 C ATOM 83 O ASN A 612 20.567 -4.690 2.788 1.00 23.95 O ATOM 84 CB ASN A 612 21.647 -1.979 1.530 1.00 23.61 C ATOM 85 CG ASN A 612 21.057 -0.613 1.306 1.00 20.92 C ATOM 86 OD1 ASN A 612 20.178 -0.207 2.051 1.00 24.38 O ATOM 87 ND2 ASN A 612 21.552 0.119 0.307 1.00 19.15 N ATOM 88 N GLU A 613 22.659 -4.489 3.593 1.00 25.69 N ATOM 89 CA GLU A 613 22.803 -5.921 3.846 1.00 25.66 C ATOM 90 C GLU A 613 21.935 -6.382 4.996 1.00 25.41 C ATOM 91 O GLU A 613 21.378 -7.484 4.950 1.00 24.92 O ATOM 92 CB GLU A 613 24.253 -6.312 4.141 1.00 25.87 C ATOM 93 CG GLU A 613 24.973 -6.644 2.859 1.00 29.74 C ATOM 94 CD GLU A 613 24.312 -7.786 2.087 1.00 34.94 C ATOM 95 OE1 GLU A 613 24.023 -8.850 2.688 1.00 36.15 O ATOM 96 OE2 GLU A 613 24.082 -7.611 0.871 1.00 39.49 O ATOM 97 N LEU A 614 21.826 -5.528 6.011 1.00 24.76 N ATOM 98 CA LEU A 614 20.912 -5.782 7.116 1.00 25.86 C ATOM 99 C LEU A 614 19.476 -5.843 6.636 1.00 25.04 C ATOM 100 O LEU A 614 18.686 -6.694 7.063 1.00 26.38 O ATOM 101 CB LEU A 614 21.019 -4.699 8.193 1.00 26.06 C ATOM 102 CG LEU A 614 22.003 -5.055 9.292 1.00 28.69 C ATOM 103 CD1 LEU A 614 23.342 -5.210 8.626 1.00 33.28 C ATOM 104 CD2 LEU A 614 22.026 -3.946 10.318 1.00 27.60 C ATOM 105 N ILE A 615 19.114 -4.904 5.776 1.00 25.11 N ATOM 106 CA ILE A 615 17.713 -4.864 5.268 1.00 23.52 C ATOM 107 C ILE A 615 17.381 -6.154 4.550 1.00 24.35 C ATOM 108 O ILE A 615 16.310 -6.752 4.776 1.00 26.29 O ATOM 109 CB ILE A 615 17.463 -3.626 4.373 1.00 24.28 C ATOM 110 CG1 ILE A 615 17.636 -2.376 5.240 1.00 23.70 C ATOM 111 CG2 ILE A 615 16.062 -3.660 3.733 1.00 22.16 C ATOM 112 CD1 ILE A 615 17.611 -1.008 4.575 1.00 21.08 C ATOM 113 N ARG A 616 18.283 -6.591 3.674 1.00 23.71 N ATOM 114 CA ARG A 616 18.124 -7.872 2.980 1.00 23.59 C ATOM 115 C ARG A 616 17.974 -9.074 3.924 1.00 22.94 C ATOM 116 O ARG A 616 17.042 -9.874 3.787 1.00 23.22 O ATOM 117 CB ARG A 616 19.246 -8.080 1.958 1.00 23.20 C ATOM 118 CG ARG A 616 18.950 -9.165 0.927 1.00 23.59 C ATOM 119 CD ARG A 616 20.092 -9.321 -0.084 1.00 24.37 C ATOM 120 NE ARG A 616 21.336 -9.712 0.571 1.00 27.24 N ATOM 121 CZ ARG A 616 21.722 -10.965 0.807 1.00 28.43 C ATOM 122 NH1 ARG A 616 20.976 -12.011 0.462 1.00 24.22 N ATOM 123 NH2 ARG A 616 22.883 -11.173 1.402 1.00 29.79 N ATOM 124 N GLU A 617 18.882 -9.242 4.877 1.00 22.79 N ATOM 125 CA GLU A 617 18.754 -10.312 5.872 1.00 20.82 C ATOM 126 C GLU A 617 17.381 -10.328 6.552 1.00 20.94 C ATOM 127 O GLU A 617 16.805 -11.386 6.802 1.00 19.16 O ATOM 128 CB GLU A 617 19.823 -10.142 6.963 1.00 21.71 C ATOM 129 CG GLU A 617 21.205 -10.208 6.377 1.00 19.97 C ATOM 130 CD GLU A 617 22.279 -9.891 7.377 1.00 24.41 C ATOM 131 OE1 GLU A 617 21.982 -9.638 8.563 1.00 29.75 O ATOM 132 OE2 GLU A 617 23.425 -9.880 6.926 1.00 19.94 O ATOM 133 N VAL A 618 16.864 -9.153 6.876 1.00 21.44 N ATOM 134 CA VAL A 618 15.574 -9.066 7.568 1.00 21.32 C ATOM 135 C VAL A 618 14.392 -9.376 6.616 1.00 21.98 C ATOM 136 O VAL A 618 13.429 -10.035 7.015 1.00 22.07 O ATOM 137 CB VAL A 618 15.428 -7.708 8.296 1.00 22.39 C ATOM 138 CG1 VAL A 618 13.959 -7.434 8.739 1.00 21.54 C ATOM 139 CG2 VAL A 618 16.389 -7.654 9.491 1.00 22.46 C ATOM 140 N TYR A 619 14.459 -8.929 5.368 1.00 22.23 N ATOM 141 CA TYR A 619 13.474 -9.409 4.366 1.00 22.10 C ATOM 142 C TYR A 619 13.478 -10.940 4.281 1.00 21.87 C ATOM 143 O TYR A 619 12.447 -11.570 4.286 1.00 21.58 O ATOM 144 CB TYR A 619 13.774 -8.862 2.971 1.00 23.49 C ATOM 145 CG TYR A 619 12.891 -9.522 1.932 1.00 23.59 C ATOM 146 CD1 TYR A 619 11.501 -9.342 1.972 1.00 24.83 C ATOM 147 CD2 TYR A 619 13.415 -10.378 0.973 1.00 26.82 C ATOM 148 CE1 TYR A 619 10.692 -9.933 1.048 1.00 24.49 C ATOM 149 CE2 TYR A 619 12.590 -10.987 0.023 1.00 26.09 C ATOM 150 CZ TYR A 619 11.227 -10.765 0.089 1.00 24.55 C ATOM 151 OH TYR A 619 10.392 -11.389 -0.816 1.00 27.35 O ATOM 152 N VAL A 620 14.657 -11.550 4.219 1.00 20.21 N ATOM 153 CA VAL A 620 14.779 -12.990 4.017 1.00 21.24 C ATOM 154 C VAL A 620 14.212 -13.708 5.237 1.00 20.50 C ATOM 155 O VAL A 620 13.646 -14.788 5.112 1.00 22.03 O ATOM 156 CB VAL A 620 16.283 -13.432 3.775 1.00 19.69 C ATOM 157 CG1 VAL A 620 16.393 -14.938 3.745 1.00 21.84 C ATOM 158 CG2 VAL A 620 16.803 -12.906 2.433 1.00 21.20 C ATOM 159 N LEU A 621 14.417 -13.112 6.405 1.00 20.90 N ATOM 160 CA LEU A 621 13.908 -13.631 7.666 1.00 21.97 C ATOM 161 C LEU A 621 12.368 -13.743 7.642 1.00 21.35 C ATOM 162 O LEU A 621 11.806 -14.733 8.109 1.00 20.27 O ATOM 163 CB LEU A 621 14.347 -12.680 8.784 1.00 23.09 C ATOM 164 CG LEU A 621 14.228 -13.131 10.240 1.00 23.47 C ATOM 165 CD1 LEU A 621 15.021 -14.390 10.469 1.00 22.86 C ATOM 166 CD2 LEU A 621 14.598 -12.002 11.200 1.00 23.51 C ATOM 167 N PHE A 622 11.721 -12.712 7.115 1.00 21.27 N ATOM 168 CA PHE A 622 10.246 -12.619 7.080 1.00 22.48 C ATOM 169 C PHE A 622 9.635 -12.974 5.733 1.00 22.20 C ATOM 170 O PHE A 622 8.396 -13.030 5.577 1.00 19.73 O ATOM 171 CB PHE A 622 9.783 -11.230 7.554 1.00 23.94 C ATOM 172 CG PHE A 622 10.038 -10.985 9.001 1.00 27.06 C ATOM 173 CD1 PHE A 622 9.348 -11.697 9.962 1.00 29.63 C ATOM 174 CD2 PHE A 622 11.027 -10.077 9.404 1.00 28.49 C ATOM 175 CE1 PHE A 622 9.594 -11.498 11.324 1.00 29.97 C ATOM 176 CE2 PHE A 622 11.287 -9.865 10.770 1.00 30.42 C ATOM 177 CZ PHE A 622 10.587 -10.606 11.733 1.00 28.42 C ATOM 178 N GLU A 623 10.486 -13.315 4.765 1.00 22.00 N ATOM 179 CA GLU A 623 10.005 -13.585 3.401 1.00 21.75 C ATOM 180 C GLU A 623 8.893 -14.628 3.317 1.00 22.61 C ATOM 181 O GLU A 623 7.867 -14.384 2.629 1.00 21.38 O ATOM 182 CB GLU A 623 11.166 -13.904 2.434 1.00 20.63 C ATOM 183 CG GLU A 623 10.758 -14.385 1.026 1.00 21.31 C ATOM 184 CD GLU A 623 11.939 -14.743 0.158 1.00 22.78 C ATOM 185 OE1 GLU A 623 13.079 -14.644 0.656 1.00 26.55 O ATOM 186 OE2 GLU A 623 11.763 -15.117 -1.016 1.00 22.40 O ATOM 187 N GLU A 624 9.080 -15.774 3.987 1.00 21.24 N ATOM 188 CA GLU A 624 8.064 -16.831 4.016 1.00 22.75 C ATOM 189 C GLU A 624 6.693 -16.329 4.501 1.00 22.94 C ATOM 190 O GLU A 624 5.649 -16.637 3.891 1.00 22.41 O ATOM 191 CB GLU A 624 8.510 -18.004 4.892 1.00 22.26 C ATOM 192 CG GLU A 624 7.478 -19.130 4.987 1.00 27.29 C ATOM 193 CD GLU A 624 7.944 -20.242 5.898 1.00 34.00 C ATOM 194 OE1 GLU A 624 9.110 -20.662 5.776 1.00 38.36 O ATOM 195 OE2 GLU A 624 7.160 -20.701 6.747 1.00 38.34 O ATOM 196 N LYS A 625 6.710 -15.621 5.630 1.00 23.51 N ATOM 197 CA LYS A 625 5.494 -15.043 6.249 1.00 24.30 C ATOM 198 C LYS A 625 4.828 -13.986 5.365 1.00 23.97 C ATOM 199 O LYS A 625 3.602 -14.031 5.130 1.00 23.57 O ATOM 200 CB LYS A 625 5.771 -14.495 7.650 1.00 25.30 C ATOM 201 CG LYS A 625 4.608 -13.674 8.216 1.00 29.87 C ATOM 202 CD LYS A 625 4.613 -13.582 9.737 1.00 35.78 C ATOM 203 CE LYS A 625 5.531 -12.478 10.243 1.00 37.80 C ATOM 204 NZ LYS A 625 5.873 -12.698 11.689 1.00 39.20 N ATOM 205 N ILE A 626 5.648 -13.073 4.851 1.00 23.71 N ATOM 206 CA ILE A 626 5.204 -12.028 3.925 1.00 24.18 C ATOM 207 C ILE A 626 4.484 -12.686 2.739 1.00 24.27 C ATOM 208 O ILE A 626 3.334 -12.309 2.362 1.00 23.89 O ATOM 209 CB ILE A 626 6.402 -11.153 3.480 1.00 24.08 C ATOM 210 CG1 ILE A 626 6.838 -10.168 4.564 1.00 22.37 C ATOM 211 CG2 ILE A 626 6.059 -10.319 2.223 1.00 25.54 C ATOM 212 CD1 ILE A 626 8.253 -9.708 4.348 1.00 23.95 C ATOM 213 N ARG A 627 5.113 -13.723 2.186 1.00 24.39 N ATOM 214 CA ARG A 627 4.534 -14.481 1.060 1.00 26.48 C ATOM 215 C ARG A 627 3.220 -15.189 1.422 1.00 25.11 C ATOM 216 O ARG A 627 2.233 -15.144 0.663 1.00 24.25 O ATOM 217 CB ARG A 627 5.528 -15.524 0.512 1.00 26.46 C ATOM 218 CG ARG A 627 6.680 -14.983 -0.338 1.00 31.38 C ATOM 219 CD ARG A 627 7.444 -16.112 -1.061 1.00 30.62 C ATOM 220 NE ARG A 627 7.282 -17.435 -0.439 1.00 37.72 N ATOM 221 CZ ARG A 627 8.254 -18.171 0.106 1.00 38.62 C ATOM 222 NH1 ARG A 627 9.518 -17.744 0.139 1.00 39.67 N ATOM 223 NH2 ARG A 627 7.959 -19.350 0.638 1.00 34.70 N ATOM 224 N LYS A 628 3.212 -15.865 2.570 1.00 24.63 N ATOM 225 CA LYS A 628 2.040 -16.571 3.067 1.00 25.04 C ATOM 226 C LYS A 628 0.849 -15.605 3.188 1.00 25.90 C ATOM 227 O LYS A 628 -0.269 -15.929 2.770 1.00 25.20 O ATOM 228 CB LYS A 628 2.352 -17.231 4.408 1.00 24.94 C ATOM 229 CG LYS A 628 1.296 -18.247 4.922 1.00 28.90 C ATOM 230 CD LYS A 628 0.532 -17.678 6.110 1.00 34.69 C ATOM 231 CE LYS A 628 1.464 -17.295 7.256 1.00 35.44 C ATOM 232 NZ LYS A 628 0.943 -16.225 8.165 1.00 36.00 N ATOM 233 N MET A 629 1.120 -14.419 3.733 1.00 24.76 N ATOM 234 CA MET A 629 0.120 -13.370 3.937 1.00 26.56 C ATOM 235 C MET A 629 -0.286 -12.582 2.687 1.00 24.24 C ATOM 236 O MET A 629 -1.090 -11.652 2.782 1.00 23.17 O ATOM 237 CB MET A 629 0.624 -12.414 5.016 1.00 24.49 C ATOM 238 CG MET A 629 0.721 -13.100 6.365 1.00 28.84 C ATOM 239 SD MET A 629 1.412 -12.056 7.654 1.00 34.35 S ATOM 240 CE MET A 629 -0.089 -11.331 8.352 1.00 36.89 C ATOM 241 N ASN A 630 0.324 -12.915 1.550 1.00 23.23 N ATOM 242 CA ASN A 630 0.126 -12.190 0.299 1.00 23.38 C ATOM 243 C ASN A 630 0.392 -10.691 0.462 1.00 23.39 C ATOM 244 O ASN A 630 -0.321 -9.832 -0.064 1.00 22.62 O ATOM 245 CB ASN A 630 -1.281 -12.481 -0.270 1.00 22.24 C ATOM 246 CG ASN A 630 -1.415 -12.058 -1.715 1.00 24.14 C ATOM 247 OD1 ASN A 630 -0.493 -12.255 -2.495 1.00 23.57 O ATOM 248 ND2 ASN A 630 -2.565 -11.463 -2.083 1.00 22.57 N ATOM 249 N ILE A 631 1.481 -10.378 1.156 1.00 22.57 N ATOM 250 CA ILE A 631 1.885 -8.998 1.357 1.00 22.84 C ATOM 251 C ILE A 631 2.786 -8.587 0.194 1.00 23.71 C ATOM 252 O ILE A 631 3.707 -9.321 -0.185 1.00 21.96 O ATOM 253 CB ILE A 631 2.575 -8.789 2.734 1.00 22.50 C ATOM 254 CG1 ILE A 631 1.575 -8.901 3.890 1.00 22.87 C ATOM 255 CG2 ILE A 631 3.228 -7.373 2.828 1.00 23.16 C ATOM 256 CD1 ILE A 631 2.277 -9.035 5.283 1.00 22.79 C ATOM 257 N ASP A 632 2.491 -7.415 -0.370 1.00 24.22 N ATOM 258 CA ASP A 632 3.267 -6.808 -1.456 1.00 24.65 C ATOM 259 C ASP A 632 4.408 -6.095 -0.766 1.00 25.15 C ATOM 260 O ASP A 632 4.163 -5.067 -0.130 1.00 24.73 O ATOM 261 CB ASP A 632 2.377 -5.773 -2.164 1.00 26.27 C ATOM 262 CG ASP A 632 3.097 -4.998 -3.272 1.00 28.75 C ATOM 263 OD1 ASP A 632 4.310 -5.160 -3.478 1.00 30.15 O ATOM 264 OD2 ASP A 632 2.445 -4.177 -3.956 1.00 33.44 O ATOM 265 N PHE A 633 5.623 -6.639 -0.899 1.00 23.64 N ATOM 266 CA PHE A 633 6.856 -6.050 -0.320 1.00 24.18 C ATOM 267 C PHE A 633 7.717 -5.339 -1.381 1.00 24.57 C ATOM 268 O PHE A 633 7.905 -5.877 -2.493 1.00 24.91 O ATOM 269 CB PHE A 633 7.695 -7.147 0.356 1.00 23.66 C ATOM 270 CG PHE A 633 8.997 -6.632 0.929 1.00 22.47 C ATOM 271 CD1 PHE A 633 10.115 -6.474 0.124 1.00 23.58 C ATOM 272 CD2 PHE A 633 9.073 -6.275 2.261 1.00 24.80 C ATOM 273 CE1 PHE A 633 11.334 -6.007 0.683 1.00 22.69 C ATOM 274 CE2 PHE A 633 10.280 -5.786 2.817 1.00 25.68 C ATOM 275 CZ PHE A 633 11.376 -5.626 1.993 1.00 25.50 C ATOM 276 N CYS A 634 8.196 -4.134 -1.054 1.00 24.96 N ATOM 277 CA CYS A 634 9.133 -3.387 -1.895 1.00 24.97 C ATOM 278 C CYS A 634 10.298 -2.831 -1.061 1.00 24.19 C ATOM 279 O CYS A 634 10.095 -2.252 0.016 1.00 23.58 O ATOM 280 CB CYS A 634 8.432 -2.237 -2.643 1.00 24.30 C ATOM 281 SG CYS A 634 9.554 -1.190 -3.636 1.00 31.29 S ATOM 282 N PHE A 635 11.513 -2.988 -1.581 1.00 24.80 N ATOM 283 CA PHE A 635 12.714 -2.335 -1.019 1.00 24.00 C ATOM 284 C PHE A 635 13.356 -1.438 -2.079 1.00 24.15 C ATOM 285 O PHE A 635 13.509 -1.845 -3.231 1.00 25.09 O ATOM 286 CB PHE A 635 13.754 -3.334 -0.496 1.00 24.73 C ATOM 287 CG PHE A 635 15.097 -2.693 -0.195 1.00 26.12 C ATOM 288 CD1 PHE A 635 15.204 -1.676 0.738 1.00 28.30 C ATOM 289 CD2 PHE A 635 16.248 -3.081 -0.881 1.00 29.06 C ATOM 290 CE1 PHE A 635 16.472 -1.079 1.020 1.00 25.60 C ATOM 291 CE2 PHE A 635 17.490 -2.487 -0.616 1.00 27.22 C ATOM 292 CZ PHE A 635 17.580 -1.473 0.312 1.00 26.64 C ATOM 293 N GLU A 636 13.683 -0.206 -1.692 1.00 25.04 N ATOM 294 CA GLU A 636 14.348 0.767 -2.550 1.00 26.28 C ATOM 295 C GLU A 636 15.482 1.468 -1.794 1.00 24.61 C ATOM 296 O GLU A 636 15.356 1.771 -0.623 1.00 23.75 O ATOM 297 CB GLU A 636 13.364 1.832 -3.029 1.00 27.78 C ATOM 298 CG GLU A 636 12.196 1.263 -3.820 1.00 30.14 C ATOM 299 CD GLU A 636 11.394 2.295 -4.623 1.00 31.12 C ATOM 300 OE1 GLU A 636 11.407 3.495 -4.243 1.00 36.41 O ATOM 301 OE2 GLU A 636 10.755 1.882 -5.632 1.00 36.11 O ATOM 302 N THR A 637 16.572 1.735 -2.489 1.00 25.87 N ATOM 303 CA THR A 637 17.709 2.486 -1.931 1.00 25.32 C ATOM 304 C THR A 637 18.303 3.392 -3.006 1.00 26.23 C ATOM 305 O THR A 637 18.327 3.055 -4.191 1.00 25.42 O ATOM 306 CB THR A 637 18.779 1.549 -1.335 1.00 26.14 C ATOM 307 OG1 THR A 637 19.856 2.335 -0.786 1.00 24.07 O ATOM 308 CG2 THR A 637 19.290 0.571 -2.385 1.00 24.93 C ATOM 309 N ASP A 638 18.740 4.578 -2.605 1.00 25.39 N ATOM 310 CA ASP A 638 19.372 5.459 -3.551 1.00 25.94 C ATOM 311 C ASP A 638 20.880 5.165 -3.650 1.00 24.52 C ATOM 312 O ASP A 638 21.550 5.714 -4.511 1.00 23.39 O ATOM 313 CB ASP A 638 19.054 6.934 -3.263 1.00 26.87 C ATOM 314 CG ASP A 638 19.511 7.404 -1.895 1.00 29.11 C ATOM 315 OD1 ASP A 638 20.360 6.778 -1.209 1.00 28.15 O ATOM 316 OD2 ASP A 638 18.970 8.453 -1.503 1.00 33.06 O ATOM 317 N ASN A 639 21.376 4.229 -2.842 1.00 22.75 N ATOM 318 CA ASN A 639 22.801 3.828 -2.929 1.00 22.78 C ATOM 319 C ASN A 639 22.945 2.398 -2.414 1.00 22.63 C ATOM 320 O ASN A 639 22.803 2.176 -1.221 1.00 23.59 O ATOM 321 CB ASN A 639 23.656 4.784 -2.095 1.00 21.21 C ATOM 322 CG ASN A 639 25.147 4.535 -2.270 1.00 20.89 C ATOM 323 OD1 ASN A 639 25.549 3.594 -2.958 1.00 20.33 O ATOM 324 ND2 ASN A 639 25.967 5.412 -1.707 1.00 19.07 N ATOM 325 N GLU A 640 23.188 1.442 -3.307 1.00 22.75 N ATOM 326 CA GLU A 640 23.251 0.016 -2.987 1.00 23.67 C ATOM 327 C GLU A 640 24.281 -0.262 -1.914 1.00 24.16 C ATOM 328 O GLU A 640 24.043 -1.061 -1.002 1.00 24.58 O ATOM 329 CB GLU A 640 23.644 -0.792 -4.227 1.00 24.75 C ATOM 330 CG GLU A 640 22.483 -1.123 -5.118 1.00 29.00 C ATOM 331 CD GLU A 640 22.836 -2.174 -6.146 1.00 32.42 C ATOM 332 OE1 GLU A 640 22.669 -3.372 -5.831 1.00 35.15 O ATOM 333 OE2 GLU A 640 23.268 -1.785 -7.250 1.00 34.97 O ATOM 334 N ASP A 641 25.417 0.419 -2.016 1.00 23.48 N ATOM 335 CA ASP A 641 26.402 0.375 -0.955 1.00 24.02 C ATOM 336 C ASP A 641 26.207 1.521 0.046 1.00 24.53 C ATOM 337 O ASP A 641 26.722 2.624 -0.159 1.00 25.47 O ATOM 338 CB ASP A 641 27.799 0.431 -1.569 1.00 23.11 C ATOM 339 CG ASP A 641 28.890 0.110 -0.562 1.00 25.43 C ATOM 340 OD1 ASP A 641 28.565 -0.539 0.464 1.00 25.94 O ATOM 341 OD2 ASP A 641 30.056 0.534 -0.784 1.00 23.23 O ATOM 342 N LEU A 642 25.529 1.236 1.150 1.00 24.82 N ATOM 343 CA LEU A 642 25.143 2.253 2.123 1.00 25.11 C ATOM 344 C LEU A 642 25.936 2.021 3.400 1.00 25.30 C ATOM 345 O LEU A 642 25.499 1.472 4.406 1.00 24.66 O ATOM 346 CB LEU A 642 23.620 2.267 2.327 1.00 26.06 C ATOM 347 CG LEU A 642 22.902 3.355 3.121 1.00 25.92 C ATOM 348 CD1 LEU A 642 22.842 4.665 2.375 1.00 25.58 C ATOM 349 CD2 LEU A 642 21.474 2.888 3.417 1.00 26.19 C ATOM 350 N ARG A 643 27.173 2.477 3.332 1.00 25.86 N ATOM 351 CA ARG A 643 28.118 2.167 4.385 1.00 25.93 C ATOM 352 C ARG A 643 27.931 3.027 5.622 1.00 25.81 C ATOM 353 O ARG A 643 27.769 4.250 5.528 1.00 26.88 O ATOM 354 CB ARG A 643 29.516 2.310 3.812 1.00 26.07 C ATOM 355 CG ARG A 643 29.858 1.156 2.895 1.00 29.42 C ATOM 356 CD ARG A 643 30.544 0.068 3.703 1.00 35.53 C ATOM 357 NE ARG A 643 31.144 -0.970 2.871 1.00 38.57 N ATOM 358 CZ ARG A 643 31.551 -2.144 3.339 1.00 38.98 C ATOM 359 NH1 ARG A 643 31.431 -2.427 4.632 1.00 37.62 N ATOM 360 NH2 ARG A 643 32.076 -3.035 2.513 1.00 41.24 N ATOM 361 N VAL A 644 27.953 2.359 6.772 1.00 25.53 N ATOM 362 CA VAL A 644 27.855 2.976 8.097 1.00 24.26 C ATOM 363 C VAL A 644 28.795 2.247 9.055 1.00 24.50 C ATOM 364 O VAL A 644 29.099 1.069 8.870 1.00 22.68 O ATOM 365 CB VAL A 644 26.419 2.886 8.664 1.00 25.44 C ATOM 366 CG1 VAL A 644 25.430 3.582 7.725 1.00 23.84 C ATOM 367 CG2 VAL A 644 25.962 1.430 8.863 1.00 23.31 C ATOM 368 N GLU A 645 29.209 2.965 10.094 1.00 23.98 N ATOM 369 CA GLU A 645 29.797 2.351 11.271 1.00 24.06 C ATOM 370 C GLU A 645 28.805 2.436 12.418 1.00 23.70 C ATOM 371 O GLU A 645 28.414 3.524 12.855 1.00 23.37 O ATOM 372 CB GLU A 645 31.109 3.021 11.653 1.00 25.01 C ATOM 373 CG GLU A 645 31.824 2.237 12.734 1.00 26.76 C ATOM 374 CD GLU A 645 32.963 2.993 13.374 1.00 30.50 C ATOM 375 OE1 GLU A 645 33.234 4.151 12.980 1.00 33.93 O ATOM 376 OE2 GLU A 645 33.597 2.410 14.273 1.00 29.99 O ATOM 377 N ALA A 646 28.398 1.272 12.908 1.00 22.60 N ATOM 378 CA ALA A 646 27.299 1.214 13.855 1.00 22.70 C ATOM 379 C ALA A 646 27.376 -0.158 14.488 1.00 22.43 C ATOM 380 O ALA A 646 28.198 -0.968 14.081 1.00 23.10 O ATOM 381 CB ALA A 646 25.990 1.382 13.088 1.00 21.51 C ATOM 382 N ASP A 647 26.533 -0.422 15.475 1.00 23.23 N ATOM 383 CA ASP A 647 26.479 -1.709 16.148 1.00 25.24 C ATOM 384 C ASP A 647 25.539 -2.568 15.310 1.00 26.71 C ATOM 385 O ASP A 647 24.326 -2.429 15.414 1.00 25.68 O ATOM 386 CB ASP A 647 25.915 -1.483 17.552 1.00 25.75 C ATOM 387 CG ASP A 647 25.671 -2.768 18.321 1.00 29.30 C ATOM 388 OD1 ASP A 647 25.610 -3.848 17.704 1.00 29.13 O ATOM 389 OD2 ASP A 647 25.551 -2.692 19.570 1.00 34.05 O ATOM 390 N ARG A 648 26.110 -3.456 14.498 1.00 27.67 N ATOM 391 CA ARG A 648 25.357 -4.201 13.492 1.00 28.62 C ATOM 392 C ARG A 648 24.186 -4.992 14.079 1.00 28.51 C ATOM 393 O ARG A 648 23.083 -4.985 13.526 1.00 28.43 O ATOM 394 CB ARG A 648 26.302 -5.158 12.777 1.00 29.32 C ATOM 395 CG ARG A 648 25.798 -5.628 11.424 1.00 30.54 C ATOM 396 CD ARG A 648 26.414 -6.964 11.081 1.00 32.19 C ATOM 397 NE ARG A 648 26.402 -7.259 9.651 1.00 34.78 N ATOM 398 CZ ARG A 648 25.410 -7.869 9.010 1.00 35.96 C ATOM 399 NH1 ARG A 648 24.310 -8.238 9.670 1.00 37.28 N ATOM 400 NH2 ARG A 648 25.522 -8.097 7.703 1.00 32.66 N ATOM 401 N THR A 649 24.443 -5.655 15.202 1.00 28.19 N ATOM 402 CA THR A 649 23.463 -6.477 15.913 1.00 28.67 C ATOM 403 C THR A 649 22.242 -5.651 16.369 1.00 27.87 C ATOM 404 O THR A 649 21.091 -6.058 16.170 1.00 28.77 O ATOM 405 CB THR A 649 24.117 -7.160 17.134 1.00 29.58 C ATOM 406 OG1 THR A 649 25.346 -7.810 16.754 1.00 30.18 O ATOM 407 CG2 THR A 649 23.166 -8.172 17.752 1.00 30.27 C ATOM 408 N ARG A 650 22.503 -4.478 16.945 1.00 27.27 N ATOM 409 CA ARG A 650 21.460 -3.612 17.475 1.00 27.14 C ATOM 410 C ARG A 650 20.630 -2.943 16.378 1.00 26.04 C ATOM 411 O ARG A 650 19.407 -2.889 16.500 1.00 26.06 O ATOM 412 CB ARG A 650 22.028 -2.581 18.461 1.00 27.44 C ATOM 413 CG ARG A 650 22.556 -3.160 19.796 1.00 29.46 C ATOM 414 CD ARG A 650 21.602 -4.165 20.442 1.00 34.57 C ATOM 415 NE ARG A 650 21.858 -4.344 21.870 1.00 39.04 N ATOM 416 CZ ARG A 650 20.925 -4.602 22.785 1.00 40.85 C ATOM 417 NH1 ARG A 650 19.644 -4.728 22.444 1.00 39.17 N ATOM 418 NH2 ARG A 650 21.282 -4.740 24.061 1.00 42.31 N ATOM 419 N ILE A 651 21.265 -2.470 15.303 1.00 25.86 N ATOM 420 CA ILE A 651 20.513 -1.929 14.162 1.00 24.72 C ATOM 421 C ILE A 651 19.629 -2.999 13.535 1.00 25.55 C ATOM 422 O ILE A 651 18.476 -2.714 13.166 1.00 24.38 O ATOM 423 CB ILE A 651 21.421 -1.338 13.057 1.00 25.18 C ATOM 424 CG1 ILE A 651 22.271 -0.188 13.613 1.00 22.70 C ATOM 425 CG2 ILE A 651 20.575 -0.882 11.839 1.00 24.08 C ATOM 426 CD1 ILE A 651 21.490 0.956 14.325 1.00 24.64 C ATOM 427 N LYS A 652 20.168 -4.214 13.440 1.00 24.85 N ATOM 428 CA LYS A 652 19.409 -5.370 12.990 1.00 26.36 C ATOM 429 C LYS A 652 18.137 -5.585 13.820 1.00 25.92 C ATOM 430 O LYS A 652 17.030 -5.725 13.283 1.00 25.98 O ATOM 431 CB LYS A 652 20.300 -6.618 12.917 1.00 26.07 C ATOM 432 CG LYS A 652 19.679 -7.644 11.962 1.00 29.10 C ATOM 433 CD LYS A 652 20.450 -8.940 11.882 1.00 32.88 C ATOM 434 CE LYS A 652 19.718 -9.904 10.937 1.00 32.16 C ATOM 435 NZ LYS A 652 20.656 -10.865 10.261 1.00 32.14 N ATOM 436 N GLN A 653 18.298 -5.548 15.138 1.00 27.05 N ATOM 437 CA GLN A 653 17.199 -5.666 16.093 1.00 27.00 C ATOM 438 C GLN A 653 16.096 -4.644 15.840 1.00 26.22 C ATOM 439 O GLN A 653 14.904 -5.000 15.806 1.00 26.49 O ATOM 440 CB GLN A 653 17.757 -5.556 17.511 1.00 25.56 C ATOM 441 CG GLN A 653 16.818 -5.947 18.648 1.00 28.94 C ATOM 442 CD GLN A 653 17.472 -5.741 20.013 1.00 29.36 C ATOM 443 OE1 GLN A 653 18.697 -5.692 20.116 1.00 31.43 O ATOM 444 NE2 GLN A 653 16.661 -5.592 21.055 1.00 33.46 N ATOM 445 N VAL A 654 16.494 -3.391 15.603 1.00 26.54 N ATOM 446 CA VAL A 654 15.555 -2.325 15.189 1.00 25.03 C ATOM 447 C VAL A 654 14.809 -2.679 13.915 1.00 26.30 C ATOM 448 O VAL A 654 13.573 -2.611 13.888 1.00 24.70 O ATOM 449 CB VAL A 654 16.253 -0.942 15.015 1.00 24.69 C ATOM 450 CG1 VAL A 654 15.244 0.097 14.547 1.00 24.67 C ATOM 451 CG2 VAL A 654 16.881 -0.465 16.338 1.00 23.36 C ATOM 452 N LEU A 655 15.534 -3.065 12.862 1.00 25.91 N ATOM 453 CA LEU A 655 14.851 -3.440 11.604 1.00 26.02 C ATOM 454 C LEU A 655 13.915 -4.631 11.774 1.00 26.78 C ATOM 455 O LEU A 655 12.774 -4.596 11.288 1.00 27.42 O ATOM 456 CB LEU A 655 15.883 -3.641 10.468 1.00 25.55 C ATOM 457 CG LEU A 655 16.698 -2.375 10.131 1.00 24.89 C ATOM 458 CD1 LEU A 655 18.010 -2.767 9.460 1.00 24.93 C ATOM 459 CD2 LEU A 655 15.924 -1.418 9.243 1.00 26.86 C ATOM 460 N ILE A 656 14.370 -5.660 12.489 1.00 27.05 N ATOM 461 CA ILE A 656 13.513 -6.816 12.837 1.00 28.02 C ATOM 462 C ILE A 656 12.188 -6.379 13.491 1.00 27.78 C ATOM 463 O ILE A 656 11.103 -6.712 13.009 1.00 27.47 O ATOM 464 CB ILE A 656 14.227 -7.890 13.696 1.00 27.78 C ATOM 465 CG1 ILE A 656 15.362 -8.591 12.930 1.00 28.08 C ATOM 466 CG2 ILE A 656 13.202 -8.936 14.177 1.00 30.74 C ATOM 467 CD1 ILE A 656 16.298 -9.377 13.848 1.00 28.39 C ATOM 468 N ASN A 657 12.272 -5.560 14.532 1.00 27.01 N ATOM 469 CA ASN A 657 11.069 -5.018 15.153 1.00 26.22 C ATOM 470 C ASN A 657 10.183 -4.204 14.199 1.00 26.44 C ATOM 471 O ASN A 657 8.950 -4.361 14.154 1.00 25.54 O ATOM 472 CB AASN A 657 11.433 -4.122 16.349 0.50 26.45 C ATOM 473 CB BASN A 657 11.471 -4.172 16.350 0.50 26.36 C ATOM 474 CG AASN A 657 12.037 -4.884 17.534 0.50 26.20 C ATOM 475 CG BASN A 657 10.382 -4.087 17.376 0.50 25.14 C ATOM 476 OD1AASN A 657 12.385 -6.059 17.442 0.50 28.04 O ATOM 477 OD1BASN A 657 10.116 -5.038 18.112 0.50 26.05 O ATOM 478 ND2AASN A 657 12.167 -4.194 18.658 0.50 23.05 N ATOM 479 ND2BASN A 657 9.740 -2.937 17.433 0.50 24.75 N ATOM 480 N LEU A 658 10.786 -3.295 13.438 1.00 25.98 N ATOM 481 CA LEU A 658 9.961 -2.507 12.525 1.00 26.05 C ATOM 482 C LEU A 658 9.240 -3.358 11.472 1.00 25.81 C ATOM 483 O LEU A 658 8.073 -3.087 11.165 1.00 26.00 O ATOM 484 CB LEU A 658 10.822 -1.401 11.880 1.00 27.74 C ATOM 485 CG LEU A 658 11.455 -0.315 12.771 1.00 25.59 C ATOM 486 CD1 LEU A 658 12.108 0.744 11.901 1.00 24.51 C ATOM 487 CD2 LEU A 658 10.412 0.314 13.682 1.00 25.05 C ATOM 488 N VAL A 659 9.901 -4.377 10.928 1.00 25.49 N ATOM 489 CA VAL A 659 9.287 -5.244 9.906 1.00 26.77 C ATOM 490 C VAL A 659 8.214 -6.161 10.499 1.00 25.80 C ATOM 491 O VAL A 659 7.120 -6.303 9.920 1.00 24.16 O ATOM 492 CB VAL A 659 10.336 -5.988 9.007 1.00 28.22 C ATOM 493 CG1 VAL A 659 9.620 -6.835 7.913 1.00 28.28 C ATOM 494 CG2 VAL A 659 11.277 -4.958 8.338 1.00 27.48 C ATOM 495 N GLN A 660 8.491 -6.725 11.675 1.00 25.50 N ATOM 496 CA GLN A 660 7.504 -7.528 12.409 1.00 26.93 C ATOM 497 C GLN A 660 6.244 -6.682 12.613 1.00 25.58 C ATOM 498 O GLN A 660 5.136 -7.132 12.285 1.00 23.74 O ATOM 499 CB GLN A 660 8.082 -8.019 13.740 1.00 27.01 C ATOM 500 CG GLN A 660 7.398 -9.236 14.384 1.00 30.55 C ATOM 501 CD GLN A 660 8.352 -10.125 15.210 1.00 32.09 C ATOM 502 OE1 GLN A 660 8.292 -11.354 15.113 1.00 34.57 O ATOM 503 NE2 GLN A 660 9.227 -9.510 16.014 1.00 37.73 N ATOM 504 N ASN A 661 6.413 -5.447 13.093 1.00 23.80 N ATOM 505 CA ASN A 661 5.256 -4.599 13.387 1.00 24.16 C ATOM 506 C ASN A 661 4.506 -4.265 12.116 1.00 23.40 C ATOM 507 O ASN A 661 3.272 -4.330 12.121 1.00 23.10 O ATOM 508 CB ASN A 661 5.632 -3.294 14.116 1.00 24.71 C ATOM 509 CG ASN A 661 6.270 -3.548 15.471 1.00 23.18 C ATOM 510 OD1 ASN A 661 6.144 -4.638 16.014 1.00 23.33 O ATOM 511 ND2 ASN A 661 6.913 -2.533 16.036 1.00 23.33 N ATOM 512 N ALA A 662 5.239 -3.965 11.037 1.00 23.32 N ATOM 513 CA ALA A 662 4.617 -3.614 9.752 1.00 23.64 C ATOM 514 C ALA A 662 3.782 -4.768 9.184 1.00 23.99 C ATOM 515 O ALA A 662 2.667 -4.541 8.705 1.00 23.88 O ATOM 516 CB ALA A 662 5.671 -3.121 8.744 1.00 24.08 C ATOM 517 N ILE A 663 4.282 -6.000 9.305 1.00 23.22 N ATOM 518 CA ILE A 663 3.537 -7.208 8.926 1.00 23.92 C ATOM 519 C ILE A 663 2.232 -7.395 9.706 1.00 25.34 C ATOM 520 O ILE A 663 1.152 -7.604 9.116 1.00 24.38 O ATOM 521 CB ILE A 663 4.425 -8.463 8.977 1.00 23.43 C ATOM 522 CG1 ILE A 663 5.450 -8.405 7.834 1.00 20.17 C ATOM 523 CG2 ILE A 663 3.569 -9.771 8.908 1.00 21.98 C ATOM 524 CD1 ILE A 663 6.733 -9.189 8.167 1.00 25.42 C ATOM 525 N GLU A 664 2.336 -7.197 11.014 1.00 24.93 N ATOM 526 CA GLU A 664 1.210 -7.361 11.912 1.00 27.03 C ATOM 527 C GLU A 664 0.156 -6.282 11.680 1.00 26.01 C ATOM 528 O GLU A 664 -1.035 -6.588 11.720 1.00 27.21 O ATOM 529 CB GLU A 664 1.706 -7.411 13.355 1.00 26.32 C ATOM 530 CG GLU A 664 2.628 -8.624 13.564 1.00 31.85 C ATOM 531 CD GLU A 664 3.024 -8.904 15.005 1.00 32.09 C ATOM 532 OE1 GLU A 664 2.810 -8.034 15.875 1.00 37.29 O ATOM 533 OE2 GLU A 664 3.560 -10.012 15.274 1.00 39.95 O ATOM 534 N ALA A 665 0.600 -5.062 11.372 1.00 24.89 N ATOM 535 CA ALA A 665 -0.288 -3.913 11.195 1.00 25.17 C ATOM 536 C ALA A 665 -0.943 -3.967 9.826 1.00 24.48 C ATOM 537 O ALA A 665 -2.156 -3.707 9.708 1.00 23.73 O ATOM 538 CB ALA A 665 0.487 -2.624 11.379 1.00 26.42 C ATOM 539 N THR A 666 -0.171 -4.332 8.799 1.00 22.82 N ATOM 540 CA THR A 666 -0.749 -4.396 7.456 1.00 24.18 C ATOM 541 C THR A 666 -1.715 -5.544 7.185 1.00 24.32 C ATOM 542 O THR A 666 -2.706 -5.387 6.429 1.00 23.26 O ATOM 543 CB THR A 666 0.313 -4.272 6.347 1.00 23.42 C ATOM 544 OG1 THR A 666 -0.349 -3.740 5.197 1.00 22.57 O ATOM 545 CG2 THR A 666 0.920 -5.635 5.997 1.00 24.43 C ATOM 546 N GLY A 667 -1.419 -6.697 7.788 1.00 23.68 N ATOM 547 CA GLY A 667 -2.252 -7.883 7.645 1.00 23.99 C ATOM 548 C GLY A 667 -2.306 -8.503 6.262 1.00 23.71 C ATOM 549 O GLY A 667 -1.527 -8.164 5.357 1.00 23.60 O ATOM 550 N GLU A 668 -3.212 -9.460 6.107 1.00 23.31 N ATOM 551 CA AGLU A 668 -3.304 -10.196 4.850 0.50 23.57 C ATOM 552 CA BGLU A 668 -3.377 -10.199 4.860 0.50 23.42 C ATOM 553 C GLU A 668 -3.523 -9.217 3.703 1.00 23.50 C ATOM 554 O GLU A 668 -4.214 -8.197 3.861 1.00 23.76 O ATOM 555 CB AGLU A 668 -4.405 -11.258 4.899 0.50 23.76 C ATOM 556 CB BGLU A 668 -4.630 -11.073 4.958 0.50 23.52 C ATOM 557 CG AGLU A 668 -4.092 -12.412 5.842 0.50 26.36 C ATOM 558 CG BGLU A 668 -4.975 -11.815 3.688 0.50 25.32 C ATOM 559 CD AGLU A 668 -3.355 -13.558 5.184 0.50 29.88 C ATOM 560 CD BGLU A 668 -4.251 -13.135 3.560 0.50 28.33 C ATOM 561 OE1AGLU A 668 -3.197 -13.544 3.939 0.50 32.54 O ATOM 562 OE1BGLU A 668 -3.483 -13.483 4.487 0.50 30.98 O ATOM 563 OE2AGLU A 668 -2.947 -14.488 5.919 0.50 31.99 O ATOM 564 OE2BGLU A 668 -4.476 -13.830 2.546 0.50 28.78 O ATOM 565 N ASN A 669 -2.892 -9.518 2.569 1.00 22.19 N ATOM 566 CA ASN A 669 -2.997 -8.707 1.364 1.00 22.25 C ATOM 567 C ASN A 669 -2.508 -7.270 1.540 1.00 21.98 C ATOM 568 O ASN A 669 -2.844 -6.418 0.744 1.00 21.68 O ATOM 569 CB ASN A 669 -4.467 -8.669 0.874 1.00 21.88 C ATOM 570 CG ASN A 669 -5.035 -10.035 0.675 1.00 23.47 C ATOM 571 OD1 ASN A 669 -4.406 -10.876 0.040 1.00 24.32 O ATOM 572 ND2 ASN A 669 -6.252 -10.272 1.195 1.00 22.46 N ATOM 573 N GLY A 670 -1.656 -7.013 2.535 1.00 22.16 N ATOM 574 CA GLY A 670 -1.187 -5.660 2.791 1.00 21.08 C ATOM 575 C GLY A 670 -0.021 -5.263 1.906 1.00 22.64 C ATOM 576 O GLY A 670 0.186 -5.840 0.832 1.00 20.95 O ATOM 577 N LYS A 671 0.757 -4.286 2.376 1.00 22.29 N ATOM 578 CA LYS A 671 1.860 -3.706 1.612 1.00 21.86 C ATOM 579 C LYS A 671 2.866 -3.154 2.600 1.00 22.71 C ATOM 580 O LYS A 671 2.514 -2.509 3.592 1.00 22.34 O ATOM 581 CB LYS A 671 1.449 -2.522 0.749 1.00 23.40 C ATOM 582 CG LYS A 671 0.251 -2.755 -0.160 1.00 25.71 C ATOM 583 CD LYS A 671 0.196 -1.653 -1.222 1.00 35.19 C ATOM 584 CE LYS A 671 1.573 -1.469 -1.879 1.00 37.70 C ATOM 585 NZ LYS A 671 1.471 -1.499 -3.376 1.00 37.78 N ATOM 586 N ILE A 672 4.125 -3.417 2.283 1.00 22.73 N ATOM 587 CA ILE A 672 5.240 -2.934 3.095 1.00 23.21 C ATOM 588 C ILE A 672 6.253 -2.370 2.108 1.00 22.67 C ATOM 589 O ILE A 672 6.529 -2.987 1.079 1.00 23.75 O ATOM 590 CB ILE A 672 5.863 -4.085 3.905 1.00 22.78 C ATOM 591 CG1 ILE A 672 4.871 -4.460 5.019 1.00 24.45 C ATOM 592 CG2 ILE A 672 7.243 -3.652 4.473 1.00 23.61 C ATOM 593 CD1 ILE A 672 5.130 -5.782 5.704 1.00 26.29 C ATOM 594 N LYS A 673 6.760 -1.186 2.411 1.00 24.27 N ATOM 595 CA LYS A 673 7.856 -0.632 1.647 1.00 24.79 C ATOM 596 C LYS A 673 8.953 -0.199 2.617 1.00 25.14 C ATOM 597 O LYS A 673 8.684 0.530 3.554 1.00 26.36 O ATOM 598 CB LYS A 673 7.413 0.576 0.861 1.00 23.44 C ATOM 599 CG LYS A 673 8.466 1.052 -0.134 1.00 26.37 C ATOM 600 CD LYS A 673 7.793 2.021 -1.124 1.00 33.66 C ATOM 601 CE LYS A 673 8.885 2.710 -1.935 1.00 37.96 C ATOM 602 NZ LYS A 673 8.292 3.790 -2.790 1.00 38.21 N ATOM 603 N ILE A 674 10.180 -0.609 2.347 1.00 24.69 N ATOM 604 CA ILE A 674 11.330 -0.110 3.090 1.00 25.38 C ATOM 605 C ILE A 674 12.174 0.719 2.110 1.00 24.66 C ATOM 606 O ILE A 674 12.457 0.259 1.013 1.00 24.92 O ATOM 607 CB ILE A 674 12.215 -1.253 3.664 1.00 25.81 C ATOM 608 CG1 ILE A 674 11.391 -2.250 4.496 1.00 27.38 C ATOM 609 CG2 ILE A 674 13.447 -0.689 4.467 1.00 26.80 C ATOM 610 CD1 ILE A 674 12.205 -3.484 5.010 1.00 26.68 C ATOM 611 N THR A 675 12.613 1.908 2.517 1.00 25.37 N ATOM 612 CA THR A 675 13.477 2.757 1.696 1.00 24.11 C ATOM 613 C THR A 675 14.717 3.093 2.509 1.00 23.61 C ATOM 614 O THR A 675 14.630 3.308 3.707 1.00 24.28 O ATOM 615 CB THR A 675 12.734 4.054 1.385 1.00 25.37 C ATOM 616 OG1 THR A 675 11.520 3.722 0.688 1.00 26.28 O ATOM 617 CG2 THR A 675 13.574 5.025 0.541 1.00 26.96 C ATOM 618 N SER A 676 15.876 3.121 1.879 1.00 22.95 N ATOM 619 CA SER A 676 17.069 3.571 2.627 1.00 23.32 C ATOM 620 C SER A 676 17.737 4.683 1.835 1.00 23.49 C ATOM 621 O SER A 676 17.754 4.658 0.601 1.00 24.30 O ATOM 622 CB SER A 676 17.978 2.403 2.974 1.00 23.15 C ATOM 623 OG SER A 676 18.623 1.839 1.851 1.00 24.05 O ATOM 624 N GLU A 677 18.224 5.700 2.540 1.00 23.63 N ATOM 625 CA GLU A 677 18.666 6.922 1.892 1.00 22.75 C ATOM 626 C GLU A 677 20.002 7.431 2.402 1.00 22.73 C ATOM 627 O GLU A 677 20.190 7.554 3.600 1.00 23.39 O ATOM 628 CB GLU A 677 17.610 7.981 2.110 1.00 22.16 C ATOM 629 CG GLU A 677 16.369 7.677 1.284 1.00 24.49 C ATOM 630 CD GLU A 677 15.351 8.764 1.445 1.00 30.88 C ATOM 631 OE1 GLU A 677 14.609 8.714 2.457 1.00 31.50 O ATOM 632 OE2 GLU A 677 15.337 9.667 0.576 1.00 33.27 O ATOM 633 N ASP A 678 20.896 7.720 1.462 1.00 22.23 N ATOM 634 CA ASP A 678 22.218 8.324 1.704 1.00 21.75 C ATOM 635 C ASP A 678 22.131 9.858 1.836 1.00 22.08 C ATOM 636 O ASP A 678 21.921 10.573 0.844 1.00 20.40 O ATOM 637 CB ASP A 678 23.144 7.919 0.548 1.00 21.82 C ATOM 638 CG ASP A 678 24.608 8.108 0.872 1.00 22.74 C ATOM 639 OD1 ASP A 678 24.919 8.926 1.760 1.00 20.19 O ATOM 640 OD2 ASP A 678 25.433 7.429 0.218 1.00 25.83 O ATOM 641 N MET A 679 22.271 10.347 3.072 1.00 21.55 N ATOM 642 CA MET A 679 22.175 11.765 3.393 1.00 24.19 C ATOM 643 C MET A 679 23.479 12.323 3.977 1.00 24.57 C ATOM 644 O MET A 679 23.517 12.920 5.058 1.00 24.24 O ATOM 645 CB MET A 679 20.997 12.001 4.337 1.00 24.00 C ATOM 646 CG MET A 679 19.624 11.645 3.660 1.00 26.45 C ATOM 647 SD MET A 679 18.368 11.851 4.944 1.00 30.03 S ATOM 648 CE MET A 679 18.329 13.649 4.967 1.00 31.11 C ATOM 649 N TYR A 680 24.549 12.116 3.218 1.00 24.43 N ATOM 650 CA TYR A 680 25.830 12.771 3.441 1.00 25.23 C ATOM 651 C TYR A 680 26.580 12.204 4.640 1.00 25.66 C ATOM 652 O TYR A 680 27.526 11.443 4.449 1.00 27.04 O ATOM 653 CB TYR A 680 25.689 14.291 3.594 1.00 24.61 C ATOM 654 CG TYR A 680 25.182 15.037 2.375 1.00 24.34 C ATOM 655 CD1 TYR A 680 25.995 15.227 1.257 1.00 22.68 C ATOM 656 CD2 TYR A 680 23.897 15.589 2.358 1.00 24.27 C ATOM 657 CE1 TYR A 680 25.535 15.924 0.137 1.00 23.01 C ATOM 658 CE2 TYR A 680 23.432 16.290 1.245 1.00 22.56 C ATOM 659 CZ TYR A 680 24.258 16.452 0.143 1.00 23.50 C ATOM 660 OH TYR A 680 23.837 17.175 -0.954 1.00 24.15 O ATOM 661 N THR A 681 26.181 12.621 5.841 1.00 24.87 N ATOM 662 CA THR A 681 26.878 12.282 7.082 1.00 25.57 C ATOM 663 C THR A 681 26.008 11.310 7.883 1.00 24.62 C ATOM 664 O THR A 681 26.412 10.818 8.932 1.00 24.49 O ATOM 665 CB THR A 681 27.156 13.539 7.955 1.00 26.06 C ATOM 666 OG1 THR A 681 25.936 14.265 8.185 1.00 28.13 O ATOM 667 CG2 THR A 681 28.151 14.484 7.286 1.00 25.53 C ATOM 668 N LYS A 682 24.802 11.079 7.381 1.00 24.05 N ATOM 669 CA LYS A 682 23.793 10.252 8.047 1.00 25.25 C ATOM 670 C LYS A 682 22.999 9.432 7.025 1.00 24.23 C ATOM 671 O LYS A 682 23.017 9.737 5.835 1.00 24.00 O ATOM 672 CB LYS A 682 22.857 11.130 8.881 1.00 25.97 C ATOM 673 CG LYS A 682 21.662 11.749 8.136 1.00 26.76 C ATOM 674 CD LYS A 682 20.961 12.801 9.001 1.00 27.06 C ATOM 675 CE LYS A 682 20.049 13.700 8.179 1.00 29.33 C ATOM 676 NZ LYS A 682 19.254 14.664 8.999 1.00 29.18 N ATOM 677 N VAL A 683 22.359 8.357 7.483 1.00 24.34 N ATOM 678 CA VAL A 683 21.468 7.570 6.635 1.00 23.60 C ATOM 679 C VAL A 683 20.070 7.602 7.207 1.00 24.40 C ATOM 680 O VAL A 683 19.900 7.728 8.417 1.00 25.68 O ATOM 681 CB VAL A 683 21.918 6.106 6.473 1.00 22.61 C ATOM 682 CG1 VAL A 683 23.232 6.033 5.670 1.00 23.73 C ATOM 683 CG2 VAL A 683 22.066 5.438 7.844 1.00 24.83 C ATOM 684 N ARG A 684 19.074 7.460 6.341 1.00 26.15 N ATOM 685 CA ARG A 684 17.704 7.324 6.820 1.00 25.59 C ATOM 686 C ARG A 684 17.123 6.005 6.292 1.00 26.58 C ATOM 687 O ARG A 684 17.304 5.666 5.116 1.00 27.10 O ATOM 688 CB ARG A 684 16.873 8.504 6.334 1.00 26.51 C ATOM 689 CG ARG A 684 15.421 8.399 6.716 1.00 26.08 C ATOM 690 CD ARG A 684 14.601 9.526 6.133 1.00 26.70 C ATOM 691 NE ARG A 684 14.853 10.853 6.689 1.00 27.00 N ATOM 692 CZ ARG A 684 13.951 11.826 6.653 1.00 32.32 C ATOM 693 NH1 ARG A 684 12.739 11.599 6.123 1.00 29.51 N ATOM 694 NH2 ARG A 684 14.240 13.007 7.168 1.00 33.24 N ATOM 695 N VAL A 685 16.432 5.273 7.160 1.00 24.75 N ATOM 696 CA VAL A 685 15.694 4.069 6.779 1.00 24.09 C ATOM 697 C VAL A 685 14.244 4.270 7.138 1.00 23.73 C ATOM 698 O VAL A 685 13.973 4.640 8.279 1.00 23.63 O ATOM 699 CB VAL A 685 16.182 2.860 7.536 1.00 24.03 C ATOM 700 CG1 VAL A 685 15.425 1.619 7.128 1.00 21.70 C ATOM 701 CG2 VAL A 685 17.697 2.673 7.264 1.00 24.58 C ATOM 702 N SER A 686 13.349 3.999 6.177 1.00 23.90 N ATOM 703 CA SER A 686 11.896 4.225 6.350 1.00 23.53 C ATOM 704 C SER A 686 11.164 2.899 6.134 1.00 23.28 C ATOM 705 O SER A 686 11.452 2.217 5.138 1.00 23.11 O ATOM 706 CB SER A 686 11.379 5.247 5.336 1.00 22.82 C ATOM 707 OG SER A 686 12.006 6.524 5.458 1.00 26.73 O ATOM 708 N VAL A 687 10.251 2.522 7.044 1.00 23.17 N ATOM 709 CA VAL A 687 9.518 1.250 6.924 1.00 22.75 C ATOM 710 C VAL A 687 8.071 1.668 7.010 1.00 23.05 C ATOM 711 O VAL A 687 7.613 2.128 8.059 1.00 22.58 O ATOM 712 CB VAL A 687 9.786 0.249 8.058 1.00 24.00 C ATOM 713 CG1 VAL A 687 8.980 -1.033 7.840 1.00 22.36 C ATOM 714 CG2 VAL A 687 11.283 -0.074 8.186 1.00 21.40 C ATOM 715 N TRP A 688 7.406 1.506 5.874 1.00 23.68 N ATOM 716 CA TRP A 688 6.049 1.989 5.665 1.00 23.31 C ATOM 717 C TRP A 688 5.183 0.757 5.533 1.00 22.99 C ATOM 718 O TRP A 688 5.621 -0.273 5.019 1.00 23.54 O ATOM 719 CB TRP A 688 5.975 2.865 4.415 1.00 23.73 C ATOM 720 CG TRP A 688 4.544 3.168 3.981 1.00 23.96 C ATOM 721 CD1 TRP A 688 3.776 4.229 4.375 1.00 23.37 C ATOM 722 CD2 TRP A 688 3.735 2.393 3.077 1.00 23.89 C ATOM 723 NE1 TRP A 688 2.523 4.157 3.775 1.00 23.56 N ATOM 724 CE2 TRP A 688 2.484 3.051 2.965 1.00 23.85 C ATOM 725 CE3 TRP A 688 3.948 1.212 2.346 1.00 22.22 C ATOM 726 CZ2 TRP A 688 1.439 2.557 2.164 1.00 23.68 C ATOM 727 CZ3 TRP A 688 2.913 0.748 1.513 1.00 24.32 C ATOM 728 CH2 TRP A 688 1.661 1.409 1.461 1.00 24.62 C ATOM 729 N ASN A 689 3.951 0.824 6.040 1.00 22.83 N ATOM 730 CA ASN A 689 3.022 -0.279 5.795 1.00 21.48 C ATOM 731 C ASN A 689 1.683 0.349 5.486 1.00 20.71 C ATOM 732 O ASN A 689 1.386 1.423 6.007 1.00 21.20 O ATOM 733 CB ASN A 689 2.902 -1.264 6.966 1.00 20.79 C ATOM 734 CG ASN A 689 2.357 -0.620 8.225 1.00 24.99 C ATOM 735 OD1 ASN A 689 3.112 -0.070 9.024 1.00 23.30 O ATOM 736 ND2 ASN A 689 1.032 -0.649 8.395 1.00 21.21 N ATOM 737 N SER A 690 0.923 -0.273 4.591 1.00 21.59 N ATOM 738 CA SER A 690 -0.497 0.107 4.451 1.00 21.74 C ATOM 739 C SER A 690 -1.259 -0.305 5.705 1.00 21.56 C ATOM 740 O SER A 690 -0.980 -1.340 6.292 1.00 22.96 O ATOM 741 CB SER A 690 -1.099 -0.546 3.195 1.00 21.42 C ATOM 742 OG SER A 690 -1.191 -1.968 3.288 1.00 21.61 O ATOM 743 N GLY A 691 -2.254 0.473 6.134 1.00 24.47 N ATOM 744 CA GLY A 691 -2.968 0.122 7.357 1.00 23.34 C ATOM 745 C GLY A 691 -3.433 1.386 8.060 1.00 24.18 C ATOM 746 O GLY A 691 -3.219 2.491 7.553 1.00 23.50 O ATOM 747 N PRO A 692 -4.077 1.227 9.232 1.00 24.72 N ATOM 748 CA PRO A 692 -4.692 2.356 9.895 1.00 25.44 C ATOM 749 C PRO A 692 -3.633 3.275 10.497 1.00 25.49 C ATOM 750 O PRO A 692 -2.600 2.770 10.930 1.00 27.44 O ATOM 751 CB PRO A 692 -5.531 1.695 10.991 1.00 26.17 C ATOM 752 CG PRO A 692 -4.783 0.450 11.327 1.00 24.66 C ATOM 753 CD PRO A 692 -4.205 -0.017 10.018 1.00 24.92 C ATOM 754 N PRO A 693 -3.899 4.595 10.544 1.00 26.46 N ATOM 755 CA PRO A 693 -2.941 5.567 11.078 1.00 27.50 C ATOM 756 C PRO A 693 -2.764 5.380 12.583 1.00 28.67 C ATOM 757 O PRO A 693 -3.634 4.805 13.242 1.00 27.78 O ATOM 758 CB PRO A 693 -3.612 6.913 10.786 1.00 27.07 C ATOM 759 CG PRO A 693 -5.064 6.609 10.812 1.00 25.99 C ATOM 760 CD PRO A 693 -5.166 5.248 10.156 1.00 26.15 C ATOM 761 N ILE A 694 -1.618 5.805 13.111 1.00 30.32 N ATOM 762 CA ILE A 694 -1.447 5.859 14.548 1.00 32.06 C ATOM 763 C ILE A 694 -1.996 7.224 14.969 1.00 33.78 C ATOM 764 O ILE A 694 -1.627 8.258 14.395 1.00 32.25 O ATOM 765 CB ILE A 694 0.034 5.707 14.993 1.00 32.82 C ATOM 766 CG1 ILE A 694 0.683 4.473 14.361 1.00 32.55 C ATOM 767 CG2 ILE A 694 0.134 5.643 16.523 1.00 33.21 C ATOM 768 CD1 ILE A 694 2.161 4.391 14.634 1.00 36.71 C ATOM 769 N PRO A 695 -2.913 7.224 15.942 1.00 36.06 N ATOM 770 CA PRO A 695 -3.456 8.487 16.445 1.00 38.36 C ATOM 771 C PRO A 695 -2.330 9.414 16.915 1.00 40.90 C ATOM 772 O PRO A 695 -1.439 8.970 17.647 1.00 40.85 O ATOM 773 CB PRO A 695 -4.333 8.047 17.621 1.00 38.49 C ATOM 774 CG PRO A 695 -4.693 6.630 17.337 1.00 36.20 C ATOM 775 CD PRO A 695 -3.514 6.049 16.602 1.00 36.41 C ATOM 776 N GLU A 696 -2.354 10.668 16.460 1.00 43.14 N ATOM 777 CA GLU A 696 -1.409 11.688 16.916 1.00 45.35 C ATOM 778 C GLU A 696 -1.718 12.045 18.366 1.00 45.82 C ATOM 779 O GLU A 696 -2.662 12.780 18.669 1.00 45.95 O ATOM 780 CB GLU A 696 -1.460 12.928 16.026 1.00 45.48 C ATOM 781 CG GLU A 696 -0.137 13.684 15.907 1.00 46.90 C ATOM 782 CD GLU A 696 -0.155 14.711 14.777 1.00 47.22 C ATOM 783 OE1 GLU A 696 -1.267 15.112 14.364 1.00 49.41 O ATOM 784 OE2 GLU A 696 0.929 15.119 14.298 1.00 48.48 O ATOM 785 N GLU A 697 -0.901 11.481 19.248 1.00 46.65 N ATOM 786 CA GLU A 697 -1.079 11.509 20.698 1.00 47.27 C ATOM 787 C GLU A 697 -0.271 10.311 21.183 1.00 47.33 C ATOM 788 O GLU A 697 0.311 10.334 22.275 1.00 47.84 O ATOM 789 CB GLU A 697 -2.553 11.364 21.106 1.00 47.37 C ATOM 790 CG GLU A 697 -3.143 9.963 20.925 1.00 47.57 C ATOM 791 CD GLU A 697 -4.585 9.869 21.383 1.00 47.80 C ATOM 792 OE1 GLU A 697 -4.949 10.545 22.370 1.00 48.57 O ATOM 793 OE2 GLU A 697 -5.358 9.115 20.757 1.00 48.15 O ATOM 794 N LEU A 698 -0.255 9.280 20.337 1.00 46.81 N ATOM 795 CA LEU A 698 0.560 8.089 20.532 1.00 46.27 C ATOM 796 C LEU A 698 1.731 8.092 19.561 1.00 46.11 C ATOM 797 O LEU A 698 2.550 7.179 19.589 1.00 46.70 O ATOM 798 CB ALEU A 698 -0.249 6.794 20.395 0.50 45.99 C ATOM 799 CB BLEU A 698 -0.288 6.838 20.296 0.50 46.12 C ATOM 800 CG ALEU A 698 -1.414 6.404 21.317 0.50 45.82 C ATOM 801 CG BLEU A 698 -0.393 5.768 21.386 0.50 46.15 C ATOM 802 CD1ALEU A 698 -1.493 7.200 22.626 0.50 44.47 C ATOM 803 CD1BLEU A 698 0.948 5.538 22.077 0.50 45.26 C ATOM 804 CD2ALEU A 698 -2.725 6.499 20.560 0.50 45.54 C ATOM 805 CD2BLEU A 698 -1.464 6.171 22.406 0.50 46.71 C ATOM 806 N LYS A 699 1.811 9.107 18.701 1.00 45.58 N ATOM 807 CA LYS A 699 2.939 9.252 17.774 1.00 45.26 C ATOM 808 C LYS A 699 4.298 9.347 18.494 1.00 44.77 C ATOM 809 O LYS A 699 5.272 8.712 18.081 1.00 45.56 O ATOM 810 CB LYS A 699 2.724 10.454 16.846 1.00 45.57 C ATOM 811 CG LYS A 699 1.853 10.150 15.633 1.00 45.56 C ATOM 812 CD LYS A 699 2.137 11.134 14.507 1.00 44.84 C ATOM 813 CE LYS A 699 1.409 10.744 13.230 1.00 43.17 C ATOM 814 NZ LYS A 699 1.390 11.847 12.209 1.00 41.13 N ATOM 815 N GLU A 700 4.347 10.138 19.565 1.00 43.62 N ATOM 816 CA GLU A 700 5.507 10.223 20.461 1.00 42.27 C ATOM 817 C GLU A 700 5.489 9.123 21.530 1.00 40.30 C ATOM 818 O GLU A 700 6.449 8.345 21.650 1.00 40.50 O ATOM 819 CB GLU A 700 5.540 11.592 21.147 1.00 42.75 C ATOM 820 CG GLU A 700 6.683 12.504 20.713 1.00 45.14 C ATOM 821 CD GLU A 700 6.292 13.496 19.633 1.00 46.54 C ATOM 822 OE1 GLU A 700 5.839 14.599 19.997 1.00 46.90 O ATOM 823 OE2 GLU A 700 6.426 13.169 18.429 1.00 49.46 O ATOM 824 N LYS A 701 4.397 9.099 22.302 1.00 37.32 N ATOM 825 CA LYS A 701 4.133 8.134 23.374 1.00 34.44 C ATOM 826 C LYS A 701 4.598 6.711 23.037 1.00 32.71 C ATOM 827 O LYS A 701 5.138 5.988 23.880 1.00 30.46 O ATOM 828 CB ALYS A 701 2.641 8.141 23.702 0.50 34.67 C ATOM 829 CB BLYS A 701 2.637 8.139 23.687 0.50 34.48 C ATOM 830 CG ALYS A 701 2.239 7.245 24.853 0.50 34.44 C ATOM 831 CG BLYS A 701 2.224 7.422 24.959 0.50 33.76 C ATOM 832 CD ALYS A 701 0.766 7.445 25.181 0.50 34.13 C ATOM 833 CD BLYS A 701 0.831 7.888 25.371 0.50 31.52 C ATOM 834 CE ALYS A 701 0.204 6.270 25.959 0.50 33.65 C ATOM 835 CE BLYS A 701 0.144 6.914 26.316 0.50 30.17 C ATOM 836 NZ ALYS A 701 0.512 4.966 25.303 0.50 32.84 N ATOM 837 NZ BLYS A 701 -1.292 7.257 26.521 0.50 28.09 N ATOM 838 N ILE A 702 4.395 6.330 21.782 1.00 31.11 N ATOM 839 CA ILE A 702 4.787 5.025 21.275 1.00 30.22 C ATOM 840 C ILE A 702 6.270 4.642 21.449 1.00 28.45 C ATOM 841 O ILE A 702 6.556 3.447 21.500 1.00 27.77 O ATOM 842 CB ILE A 702 4.353 4.872 19.800 1.00 31.07 C ATOM 843 CG1 ILE A 702 3.970 3.422 19.470 1.00 31.03 C ATOM 844 CG2 ILE A 702 5.385 5.432 18.858 1.00 31.96 C ATOM 845 CD1 ILE A 702 3.273 3.275 18.129 1.00 32.25 C ATOM 846 N PHE A 703 7.179 5.620 21.538 1.00 26.24 N ATOM 847 CA PHE A 703 8.636 5.357 21.748 1.00 25.08 C ATOM 848 C PHE A 703 9.077 5.457 23.213 1.00 24.60 C ATOM 849 O PHE A 703 10.254 5.232 23.570 1.00 25.36 O ATOM 850 CB PHE A 703 9.510 6.271 20.879 1.00 24.45 C ATOM 851 CG PHE A 703 9.313 6.076 19.392 1.00 25.51 C ATOM 852 CD1 PHE A 703 9.709 4.909 18.757 1.00 24.70 C ATOM 853 CD2 PHE A 703 8.681 7.058 18.636 1.00 26.95 C ATOM 854 CE1 PHE A 703 9.480 4.721 17.375 1.00 26.26 C ATOM 855 CE2 PHE A 703 8.459 6.891 17.269 1.00 27.03 C ATOM 856 CZ PHE A 703 8.842 5.719 16.635 1.00 25.52 C ATOM 857 N SER A 704 8.127 5.790 24.080 1.00 22.72 N ATOM 858 CA SER A 704 8.439 5.988 25.486 1.00 22.53 C ATOM 859 C SER A 704 8.480 4.637 26.213 1.00 21.04 C ATOM 860 O SER A 704 8.082 3.607 25.638 1.00 21.64 O ATOM 861 CB SER A 704 7.444 6.957 26.123 1.00 22.34 C ATOM 862 OG SER A 704 6.183 6.331 26.254 1.00 24.24 O ATOM 863 N PRO A 705 9.004 4.625 27.447 1.00 21.83 N ATOM 864 CA PRO A 705 9.019 3.397 28.228 1.00 21.97 C ATOM 865 C PRO A 705 7.661 3.087 28.856 1.00 23.11 C ATOM 866 O PRO A 705 7.619 2.298 29.803 1.00 22.70 O ATOM 867 CB PRO A 705 10.047 3.694 29.329 1.00 21.69 C ATOM 868 CG PRO A 705 10.008 5.135 29.488 1.00 21.13 C ATOM 869 CD PRO A 705 9.687 5.728 28.165 1.00 20.82 C ATOM 870 N PHE A 706 6.597 3.696 28.312 1.00 24.67 N ATOM 871 CA PHE A 706 5.196 3.479 28.733 1.00 25.56 C ATOM 872 C PHE A 706 4.854 2.018 28.532 1.00 24.85 C ATOM 873 O PHE A 706 5.427 1.388 27.656 1.00 26.88 O ATOM 874 CB PHE A 706 4.260 4.367 27.895 1.00 26.55 C ATOM 875 CG PHE A 706 2.827 4.416 28.382 1.00 27.58 C ATOM 876 CD1 PHE A 706 2.447 5.300 29.389 1.00 28.20 C ATOM 877 CD2 PHE A 706 1.854 3.605 27.794 1.00 28.53 C ATOM 878 CE1 PHE A 706 1.119 5.347 29.833 1.00 29.81 C ATOM 879 CE2 PHE A 706 0.521 3.655 28.228 1.00 30.58 C ATOM 880 CZ PHE A 706 0.160 4.519 29.253 1.00 28.59 C ATOM 881 N PHE A 707 3.932 1.474 29.330 1.00 24.03 N ATOM 882 CA PHE A 707 3.483 0.096 29.171 1.00 21.82 C ATOM 883 C PHE A 707 2.050 -0.045 29.658 1.00 20.41 C ATOM 884 O PHE A 707 1.711 0.451 30.725 1.00 19.13 O ATOM 885 CB PHE A 707 4.363 -0.878 29.954 1.00 22.36 C ATOM 886 CG PHE A 707 3.786 -2.267 30.086 1.00 22.60 C ATOM 887 CD1 PHE A 707 3.985 -3.216 29.095 1.00 25.38 C ATOM 888 CD2 PHE A 707 3.041 -2.621 31.207 1.00 23.78 C ATOM 889 CE1 PHE A 707 3.449 -4.499 29.208 1.00 22.80 C ATOM 890 CE2 PHE A 707 2.493 -3.903 31.336 1.00 23.00 C ATOM 891 CZ PHE A 707 2.692 -4.835 30.323 1.00 24.15 C ATOM 892 N THR A 708 1.227 -0.740 28.880 1.00 20.12 N ATOM 893 CA THR A 708 -0.117 -1.125 29.350 1.00 19.18 C ATOM 894 C THR A 708 -0.471 -2.566 28.978 1.00 19.60 C ATOM 895 O THR A 708 -0.049 -3.075 27.935 1.00 20.00 O ATOM 896 CB THR A 708 -1.243 -0.192 28.857 1.00 18.66 C ATOM 897 OG1 THR A 708 -2.519 -0.748 29.232 1.00 18.69 O ATOM 898 CG2 THR A 708 -1.224 -0.038 27.344 1.00 19.01 C ATOM 899 N THR A 709 -1.256 -3.190 29.850 1.00 19.64 N ATOM 900 CA THR A 709 -1.810 -4.517 29.633 1.00 20.97 C ATOM 901 C THR A 709 -2.904 -4.478 28.558 1.00 22.66 C ATOM 902 O THR A 709 -3.359 -5.523 28.072 1.00 22.39 O ATOM 903 CB THR A 709 -2.311 -5.157 30.962 1.00 20.15 C ATOM 904 OG1 THR A 709 -3.373 -4.379 31.539 1.00 16.95 O ATOM 905 CG2 THR A 709 -1.161 -5.251 31.970 1.00 19.89 C ATOM 906 N LYS A 710 -3.324 -3.267 28.196 1.00 24.64 N ATOM 907 CA LYS A 710 -4.222 -3.078 27.057 1.00 27.08 C ATOM 908 C LYS A 710 -3.584 -3.519 25.739 1.00 27.86 C ATOM 909 O LYS A 710 -4.257 -4.105 24.891 1.00 27.82 O ATOM 910 CB LYS A 710 -4.739 -1.635 26.980 1.00 27.45 C ATOM 911 CG LYS A 710 -5.781 -1.280 28.035 1.00 28.38 C ATOM 912 CD LYS A 710 -6.048 0.229 28.062 1.00 28.80 C ATOM 913 CE LYS A 710 -7.026 0.647 29.165 1.00 30.05 C ATOM 914 NZ LYS A 710 -8.450 0.253 28.915 1.00 32.01 N ATOM 915 N THR A 711 -2.281 -3.285 25.573 1.00 28.87 N ATOM 916 CA THR A 711 -1.576 -3.692 24.355 1.00 30.20 C ATOM 917 C THR A 711 -1.673 -5.200 24.098 1.00 30.88 C ATOM 918 O THR A 711 -1.461 -5.993 25.013 1.00 30.22 O ATOM 919 CB THR A 711 -0.094 -3.277 24.400 1.00 29.79 C ATOM 920 OG1 THR A 711 -0.007 -1.879 24.699 1.00 31.33 O ATOM 921 CG2 THR A 711 0.585 -3.559 23.068 1.00 29.90 C ATOM 922 N GLN A 712 -2.011 -5.600 22.872 1.00 32.37 N ATOM 923 CA GLN A 712 -2.116 -7.039 22.604 1.00 34.60 C ATOM 924 C GLN A 712 -0.823 -7.599 22.038 1.00 34.08 C ATOM 925 O GLN A 712 0.051 -6.861 21.595 1.00 34.03 O ATOM 926 CB GLN A 712 -3.340 -7.443 21.765 1.00 34.86 C ATOM 927 CG GLN A 712 -3.483 -6.753 20.431 1.00 36.59 C ATOM 928 CD GLN A 712 -4.647 -7.293 19.617 1.00 36.77 C ATOM 929 OE1 GLN A 712 -5.740 -7.514 20.139 1.00 41.21 O ATOM 930 NE2 GLN A 712 -4.411 -7.517 18.329 1.00 41.19 N ATOM 931 N GLY A 713 -0.688 -8.914 22.108 1.00 33.82 N ATOM 932 CA GLY A 713 0.535 -9.537 21.646 1.00 32.66 C ATOM 933 C GLY A 713 1.634 -9.291 22.664 1.00 31.93 C ATOM 934 O GLY A 713 1.380 -9.132 23.866 1.00 31.43 O ATOM 935 N THR A 714 2.850 -9.244 22.138 1.00 31.09 N ATOM 936 CA ATHR A 714 4.069 -9.213 22.939 0.50 30.62 C ATOM 937 CA BTHR A 714 4.067 -9.225 22.939 0.50 30.62 C ATOM 938 C THR A 714 4.649 -7.804 22.960 1.00 30.58 C ATOM 939 O THR A 714 5.695 -7.558 23.555 1.00 31.11 O ATOM 940 CB ATHR A 714 5.121 -10.208 22.394 0.50 30.78 C ATOM 941 CB BTHR A 714 5.058 -10.297 22.394 0.50 30.75 C ATOM 942 OG1ATHR A 714 5.019 -10.281 20.965 0.50 31.32 O ATOM 943 OG1BTHR A 714 6.105 -10.565 23.338 0.50 30.06 O ATOM 944 CG2ATHR A 714 4.913 -11.590 22.989 0.50 29.45 C ATOM 945 CG2BTHR A 714 5.641 -9.871 21.048 0.50 30.86 C ATOM 946 N GLY A 715 3.961 -6.867 22.310 1.00 29.61 N ATOM 947 CA GLY A 715 4.385 -5.468 22.321 1.00 29.50 C ATOM 948 C GLY A 715 5.063 -5.044 21.029 1.00 29.24 C ATOM 949 O GLY A 715 5.542 -5.892 20.267 1.00 30.01 O ATOM 950 N LEU A 716 5.104 -3.733 20.786 1.00 28.15 N ATOM 951 CA LEU A 716 5.737 -3.191 19.589 1.00 26.76 C ATOM 952 C LEU A 716 7.258 -3.050 19.739 1.00 25.95 C ATOM 953 O LEU A 716 7.946 -2.806 18.750 1.00 25.68 O ATOM 954 CB LEU A 716 5.118 -1.853 19.182 1.00 27.29 C ATOM 955 CG LEU A 716 3.618 -1.789 18.863 1.00 27.96 C ATOM 956 CD1 LEU A 716 3.195 -0.348 18.669 1.00 29.59 C ATOM 957 CD2 LEU A 716 3.270 -2.592 17.624 1.00 31.18 C ATOM 958 N GLY A 717 7.786 -3.236 20.941 1.00 25.10 N ATOM 959 CA GLY A 717 9.240 -3.114 21.139 1.00 25.16 C ATOM 960 C GLY A 717 9.895 -1.803 20.724 1.00 24.77 C ATOM 961 O GLY A 717 11.105 -1.738 20.456 1.00 26.44 O ATOM 962 N LEU A 718 9.138 -0.721 20.743 1.00 23.71 N ATOM 963 CA LEU A 718 9.652 0.542 20.225 1.00 23.88 C ATOM 964 C LEU A 718 10.521 1.344 21.199 1.00 23.56 C ATOM 965 O LEU A 718 11.282 2.211 20.786 1.00 23.06 O ATOM 966 CB LEU A 718 8.503 1.364 19.649 1.00 23.75 C ATOM 967 CG LEU A 718 7.877 0.733 18.399 1.00 24.14 C ATOM 968 CD1 LEU A 718 6.679 1.578 18.018 1.00 23.49 C ATOM 969 CD2 LEU A 718 8.832 0.563 17.188 1.00 24.41 C ATOM 970 N SER A 719 10.397 1.073 22.494 1.00 23.71 N ATOM 971 CA SER A 719 11.254 1.726 23.464 1.00 24.04 C ATOM 972 C SER A 719 12.706 1.268 23.270 1.00 24.53 C ATOM 973 O SER A 719 13.642 2.076 23.319 1.00 24.79 O ATOM 974 CB SER A 719 10.769 1.452 24.887 1.00 24.82 C ATOM 975 OG SER A 719 11.697 1.955 25.838 1.00 22.89 O ATOM 976 N ILE A 720 12.902 -0.028 23.051 1.00 23.75 N ATOM 977 CA ILE A 720 14.265 -0.517 22.796 1.00 24.28 C ATOM 978 C ILE A 720 14.801 0.026 21.463 1.00 23.36 C ATOM 979 O ILE A 720 15.994 0.348 21.347 1.00 22.95 O ATOM 980 CB ILE A 720 14.376 -2.067 22.869 1.00 24.43 C ATOM 981 CG1 ILE A 720 15.838 -2.530 22.734 1.00 27.78 C ATOM 982 CG2 ILE A 720 13.528 -2.722 21.810 1.00 25.52 C ATOM 983 CD1 ILE A 720 16.810 -1.842 23.651 1.00 31.60 C ATOM 984 N CYS A 721 13.905 0.189 20.488 1.00 21.64 N ATOM 985 CA CYS A 721 14.264 0.776 19.195 1.00 22.03 C ATOM 986 C CYS A 721 14.799 2.192 19.408 1.00 21.92 C ATOM 987 O CYS A 721 15.834 2.582 18.830 1.00 23.18 O ATOM 988 CB CYS A 721 13.062 0.762 18.228 1.00 20.37 C ATOM 989 SG CYS A 721 12.745 -0.927 17.616 1.00 24.51 S ATOM 990 N ARG A 722 14.095 2.972 20.225 1.00 21.82 N ATOM 991 CA ARG A 722 14.546 4.332 20.520 1.00 21.87 C ATOM 992 C ARG A 722 15.868 4.284 21.314 1.00 22.29 C ATOM 993 O ARG A 722 16.782 5.084 21.084 1.00 22.60 O ATOM 994 CB ARG A 722 13.463 5.081 21.299 1.00 22.53 C ATOM 995 CG ARG A 722 13.646 6.604 21.304 1.00 22.40 C ATOM 996 CD ARG A 722 13.163 7.248 22.596 1.00 22.09 C ATOM 997 NE ARG A 722 13.724 6.576 23.755 1.00 26.65 N ATOM 998 CZ ARG A 722 14.881 6.919 24.321 1.00 25.98 C ATOM 999 NH1 ARG A 722 15.595 7.914 23.815 1.00 23.34 N ATOM 1000 NH2 ARG A 722 15.327 6.240 25.367 1.00 27.65 N ATOM 1001 N LYS A 723 15.987 3.337 22.238 1.00 22.08 N ATOM 1002 CA LYS A 723 17.231 3.203 23.027 1.00 22.07 C ATOM 1003 C LYS A 723 18.433 3.020 22.084 1.00 22.20 C ATOM 1004 O LYS A 723 19.433 3.739 22.176 1.00 22.39 O ATOM 1005 CB LYS A 723 17.131 2.040 24.026 1.00 22.31 C ATOM 1006 CG LYS A 723 18.471 1.641 24.662 1.00 25.16 C ATOM 1007 CD LYS A 723 18.269 0.719 25.870 1.00 24.86 C ATOM 1008 CE LYS A 723 19.564 0.446 26.628 1.00 27.27 C ATOM 1009 NZ LYS A 723 20.320 1.707 26.789 1.00 29.67 N ATOM 1010 N ILE A 724 18.340 2.037 21.192 1.00 23.01 N ATOM 1011 CA ILE A 724 19.352 1.740 20.182 1.00 23.41 C ATOM 1012 C ILE A 724 19.657 2.911 19.240 1.00 23.06 C ATOM 1013 O ILE A 724 20.815 3.295 19.075 1.00 22.73 O ATOM 1014 CB ILE A 724 18.984 0.474 19.368 1.00 21.98 C ATOM 1015 CG1 ILE A 724 18.906 -0.760 20.283 1.00 23.03 C ATOM 1016 CG2 ILE A 724 19.913 0.323 18.140 1.00 22.36 C ATOM 1017 CD1 ILE A 724 18.139 -1.969 19.685 1.00 24.27 C ATOM 1018 N ILE A 725 18.637 3.457 18.586 1.00 22.50 N ATOM 1019 CA ILE A 725 18.867 4.524 17.591 1.00 21.49 C ATOM 1020 C ILE A 725 19.378 5.829 18.250 1.00 23.18 C ATOM 1021 O ILE A 725 20.363 6.434 17.809 1.00 23.66 O ATOM 1022 CB ILE A 725 17.573 4.774 16.740 1.00 22.87 C ATOM 1023 CG1 ILE A 725 17.177 3.495 15.970 1.00 22.50 C ATOM 1024 CG2 ILE A 725 17.674 6.039 15.820 1.00 20.95 C ATOM 1025 CD1 ILE A 725 18.177 2.982 14.899 1.00 24.11 C ATOM 1026 N GLU A 726 18.737 6.241 19.337 1.00 22.00 N ATOM 1027 CA GLU A 726 18.950 7.584 19.874 1.00 22.68 C ATOM 1028 C GLU A 726 20.014 7.578 20.961 1.00 22.48 C ATOM 1029 O GLU A 726 20.900 8.399 20.941 1.00 23.60 O ATOM 1030 CB GLU A 726 17.649 8.164 20.439 1.00 23.68 C ATOM 1031 CG GLU A 726 16.549 8.295 19.398 1.00 21.37 C ATOM 1032 CD GLU A 726 15.373 9.121 19.882 1.00 27.22 C ATOM 1033 OE1 GLU A 726 15.307 9.465 21.082 1.00 27.31 O ATOM 1034 OE2 GLU A 726 14.481 9.397 19.049 1.00 28.30 O ATOM 1035 N ASP A 727 19.918 6.644 21.892 1.00 22.82 N ATOM 1036 CA ASP A 727 20.768 6.686 23.069 1.00 23.02 C ATOM 1037 C ASP A 727 22.110 6.064 22.749 1.00 23.59 C ATOM 1038 O ASP A 727 23.133 6.558 23.214 1.00 24.15 O ATOM 1039 CB ASP A 727 20.127 5.972 24.259 1.00 23.15 C ATOM 1040 CG ASP A 727 18.995 6.767 24.898 1.00 23.52 C ATOM 1041 OD1 ASP A 727 18.667 7.880 24.438 1.00 24.72 O ATOM 1042 OD2 ASP A 727 18.397 6.241 25.857 1.00 25.18 O ATOM 1043 N GLU A 728 22.106 4.961 22.003 1.00 24.50 N ATOM 1044 CA GLU A 728 23.353 4.298 21.578 1.00 25.66 C ATOM 1045 C GLU A 728 24.025 4.977 20.370 1.00 24.69 C ATOM 1046 O GLU A 728 25.232 5.241 20.382 1.00 23.75 O ATOM 1047 CB GLU A 728 23.108 2.811 21.261 1.00 25.98 C ATOM 1048 CG GLU A 728 24.395 2.057 20.876 1.00 27.24 C ATOM 1049 CD GLU A 728 24.265 0.538 20.751 1.00 28.21 C ATOM 1050 OE1 GLU A 728 23.163 -0.009 20.501 1.00 27.02 O ATOM 1051 OE2 GLU A 728 25.311 -0.127 20.919 1.00 29.22 O ATOM 1052 N HIS A 729 23.228 5.268 19.345 1.00 23.70 N ATOM 1053 CA HIS A 729 23.746 5.685 18.042 1.00 23.55 C ATOM 1054 C HIS A 729 23.708 7.190 17.803 1.00 23.56 C ATOM 1055 O HIS A 729 24.262 7.680 16.808 1.00 25.01 O ATOM 1056 CB HIS A 729 23.061 4.906 16.902 1.00 22.34 C ATOM 1057 CG HIS A 729 23.516 3.488 16.797 1.00 23.20 C ATOM 1058 ND1 HIS A 729 22.982 2.478 17.568 1.00 22.84 N ATOM 1059 CD2 HIS A 729 24.503 2.919 16.066 1.00 21.43 C ATOM 1060 CE1 HIS A 729 23.581 1.340 17.276 1.00 22.54 C ATOM 1061 NE2 HIS A 729 24.503 1.579 16.363 1.00 21.00 N ATOM 1062 N GLY A 730 23.061 7.924 18.704 1.00 22.43 N ATOM 1063 CA GLY A 730 23.006 9.378 18.628 1.00 23.00 C ATOM 1064 C GLY A 730 22.106 9.877 17.515 1.00 23.67 C ATOM 1065 O GLY A 730 22.273 10.996 17.027 1.00 23.54 O ATOM 1066 N GLY A 731 21.154 9.036 17.119 1.00 23.19 N ATOM 1067 CA GLY A 731 20.288 9.321 15.974 1.00 23.64 C ATOM 1068 C GLY A 731 18.891 9.678 16.408 1.00 23.72 C ATOM 1069 O GLY A 731 18.697 10.143 17.525 1.00 23.89 O ATOM 1070 N LYS A 732 17.914 9.482 15.518 1.00 23.73 N ATOM 1071 CA LYS A 732 16.539 9.859 15.838 1.00 24.87 C ATOM 1072 C LYS A 732 15.612 8.836 15.225 1.00 24.13 C ATOM 1073 O LYS A 732 15.895 8.298 14.162 1.00 22.26 O ATOM 1074 CB LYS A 732 16.190 11.253 15.311 1.00 25.88 C ATOM 1075 CG LYS A 732 16.983 12.358 15.993 1.00 29.89 C ATOM 1076 CD LYS A 732 16.657 13.714 15.433 1.00 36.89 C ATOM 1077 CE LYS A 732 17.328 14.815 16.244 1.00 38.55 C ATOM 1078 NZ LYS A 732 16.938 16.156 15.729 1.00 42.08 N ATOM 1079 N ILE A 733 14.519 8.542 15.924 1.00 24.59 N ATOM 1080 CA ILE A 733 13.499 7.668 15.361 1.00 25.17 C ATOM 1081 C ILE A 733 12.153 8.309 15.610 1.00 25.08 C ATOM 1082 O ILE A 733 11.904 8.858 16.687 1.00 25.80 O ATOM 1083 CB ILE A 733 13.565 6.233 15.936 1.00 25.63 C ATOM 1084 CG1 ILE A 733 12.626 5.287 15.164 1.00 24.99 C ATOM 1085 CG2 ILE A 733 13.339 6.212 17.479 1.00 25.11 C ATOM 1086 CD1 ILE A 733 12.770 3.831 15.578 1.00 26.24 C ATOM 1087 N TRP A 734 11.293 8.265 14.600 1.00 25.66 N ATOM 1088 CA TRP A 734 9.952 8.827 14.728 1.00 25.54 C ATOM 1089 C TRP A 734 8.963 8.100 13.825 1.00 25.63 C ATOM 1090 O TRP A 734 9.355 7.219 13.050 1.00 25.00 O ATOM 1091 CB TRP A 734 9.934 10.337 14.437 1.00 27.17 C ATOM 1092 CG TRP A 734 10.146 10.745 12.996 1.00 27.41 C ATOM 1093 CD1 TRP A 734 9.191 11.118 12.092 1.00 28.97 C ATOM 1094 CD2 TRP A 734 11.397 10.834 12.312 1.00 28.79 C ATOM 1095 NE1 TRP A 734 9.772 11.455 10.888 1.00 28.64 N ATOM 1096 CE2 TRP A 734 11.128 11.285 10.998 1.00 29.41 C ATOM 1097 CE3 TRP A 734 12.725 10.583 12.685 1.00 27.44 C ATOM 1098 CZ2 TRP A 734 12.137 11.473 10.052 1.00 27.22 C ATOM 1099 CZ3 TRP A 734 13.717 10.764 11.748 1.00 29.05 C ATOM 1100 CH2 TRP A 734 13.423 11.213 10.449 1.00 29.54 C ATOM 1101 N THR A 735 7.687 8.479 13.935 1.00 25.99 N ATOM 1102 CA THR A 735 6.655 7.908 13.061 1.00 26.58 C ATOM 1103 C THR A 735 5.853 9.037 12.431 1.00 26.78 C ATOM 1104 O THR A 735 5.692 10.111 13.023 1.00 26.65 O ATOM 1105 CB THR A 735 5.731 6.871 13.803 1.00 26.86 C ATOM 1106 OG1 THR A 735 4.749 6.314 12.910 1.00 27.50 O ATOM 1107 CG2 THR A 735 4.984 7.544 14.951 1.00 27.96 C ATOM 1108 N GLU A 736 5.360 8.797 11.218 1.00 27.58 N ATOM 1109 CA GLU A 736 4.440 9.723 10.557 1.00 29.19 C ATOM 1110 C GLU A 736 3.307 8.936 9.900 1.00 29.91 C ATOM 1111 O GLU A 736 3.512 7.790 9.563 1.00 28.21 O ATOM 1112 CB GLU A 736 5.159 10.534 9.476 1.00 28.85 C ATOM 1113 CG GLU A 736 6.575 11.055 9.819 1.00 32.23 C ATOM 1114 CD GLU A 736 7.247 11.737 8.641 1.00 31.41 C ATOM 1115 OE1 GLU A 736 6.670 11.703 7.542 1.00 36.15 O ATOM 1116 OE2 GLU A 736 8.342 12.321 8.789 1.00 33.33 O ATOM 1117 N ASN A 737 2.133 9.543 9.703 1.00 31.54 N ATOM 1118 CA ASN A 737 1.068 8.923 8.902 1.00 34.28 C ATOM 1119 C ASN A 737 1.133 9.371 7.425 1.00 34.83 C ATOM 1120 O ASN A 737 1.174 10.571 7.168 1.00 35.50 O ATOM 1121 CB ASN A 737 -0.308 9.190 9.526 1.00 34.01 C ATOM 1122 CG ASN A 737 -0.441 8.657 10.961 1.00 33.94 C ATOM 1123 OD1 ASN A 737 -0.142 7.493 11.275 1.00 31.38 O ATOM 1124 ND2 ASN A 737 -0.946 9.512 11.834 1.00 34.16 N ATOM 1125 N ARG A 738 1.146 8.413 6.487 1.00 36.75 N ATOM 1126 CA ARG A 738 1.459 8.562 5.037 1.00 36.65 C ATOM 1127 C ARG A 738 0.686 7.584 4.145 1.00 37.95 C ATOM 1128 O ARG A 738 0.342 6.487 4.577 1.00 39.05 O ATOM 1129 CB AARG A 738 2.967 8.426 4.758 0.50 37.61 C ATOM 1130 CB BARG A 738 2.935 8.241 4.781 0.50 37.43 C ATOM 1131 CG AARG A 738 3.862 9.220 5.705 0.50 38.18 C ATOM 1132 CG BARG A 738 3.933 9.181 5.413 0.50 37.36 C ATOM 1133 CD AARG A 738 4.791 10.188 4.975 0.50 38.87 C ATOM 1134 CD BARG A 738 4.610 10.052 4.376 0.50 37.08 C ATOM 1135 NE AARG A 738 4.797 11.515 5.596 0.50 38.45 N ATOM 1136 NE BARG A 738 5.962 10.388 4.811 0.50 35.12 N ATOM 1137 CZ AARG A 738 3.764 12.358 5.586 0.50 38.38 C ATOM 1138 CZ BARG A 738 7.066 9.755 4.421 0.50 35.83 C ATOM 1139 NH1AARG A 738 2.621 12.015 5.006 0.50 36.56 N ATOM 1140 NH1BARG A 738 7.001 8.741 3.568 0.50 37.21 N ATOM 1141 NH2AARG A 738 3.861 13.547 6.167 0.50 38.03 N ATOM 1142 NH2BARG A 738 8.247 10.144 4.880 0.50 33.94 N ATOM 1143 N GLU A 739 0.469 7.957 2.882 1.00 38.11 N ATOM 1144 CA GLU A 739 -0.339 7.192 1.904 1.00 38.02 C ATOM 1145 C GLU A 739 -1.608 6.615 2.552 1.00 36.58 C ATOM 1146 O GLU A 739 -2.243 7.277 3.365 1.00 35.75 O ATOM 1147 CB GLU A 739 0.502 6.111 1.209 1.00 37.88 C ATOM 1148 CG GLU A 739 2.025 6.380 1.260 1.00 41.00 C ATOM 1149 CD GLU A 739 2.674 6.775 -0.073 1.00 45.50 C ATOM 1150 OE1 GLU A 739 3.085 5.868 -0.832 1.00 49.00 O ATOM 1151 OE2 GLU A 739 2.837 7.983 -0.352 1.00 45.82 O ATOM 1152 N ASN A 740 -1.977 5.386 2.208 1.00 35.81 N ATOM 1153 CA ASN A 740 -2.947 4.662 3.019 1.00 35.04 C ATOM 1154 C ASN A 740 -2.251 3.920 4.178 1.00 32.48 C ATOM 1155 O ASN A 740 -2.593 2.771 4.469 1.00 33.37 O ATOM 1156 CB ASN A 740 -3.797 3.713 2.157 1.00 35.46 C ATOM 1157 CG ASN A 740 -2.985 2.583 1.521 1.00 38.12 C ATOM 1158 OD1 ASN A 740 -1.854 2.788 1.065 1.00 42.02 O ATOM 1159 ND2 ASN A 740 -3.576 1.383 1.465 1.00 38.01 N ATOM 1160 N GLY A 741 -1.327 4.587 4.872 1.00 30.78 N ATOM 1161 CA GLY A 741 -0.448 3.884 5.832 1.00 26.38 C ATOM 1162 C GLY A 741 0.274 4.646 6.932 1.00 24.52 C ATOM 1163 O GLY A 741 -0.117 5.735 7.341 1.00 23.74 O ATOM 1164 N VAL A 742 1.378 4.063 7.395 1.00 23.89 N ATOM 1165 CA VAL A 742 2.123 4.617 8.505 1.00 22.67 C ATOM 1166 C VAL A 742 3.562 4.297 8.199 1.00 21.76 C ATOM 1167 O VAL A 742 3.865 3.213 7.709 1.00 21.88 O ATOM 1168 CB VAL A 742 1.809 3.873 9.835 1.00 22.15 C ATOM 1169 CG1 VAL A 742 2.790 4.277 10.894 1.00 21.67 C ATOM 1170 CG2 VAL A 742 0.406 4.202 10.317 1.00 18.84 C ATOM 1171 N VAL A 743 4.421 5.244 8.517 1.00 22.82 N ATOM 1172 CA VAL A 743 5.851 5.000 8.363 1.00 22.77 C ATOM 1173 C VAL A 743 6.603 5.218 9.671 1.00 22.56 C ATOM 1174 O VAL A 743 6.291 6.128 10.450 1.00 24.19 O ATOM 1175 CB VAL A 743 6.404 5.918 7.249 1.00 23.00 C ATOM 1176 CG1 VAL A 743 6.329 7.394 7.657 1.00 24.20 C ATOM 1177 CG2 VAL A 743 7.775 5.499 6.778 1.00 22.47 C ATOM 1178 N PHE A 744 7.609 4.375 9.852 1.00 23.59 N ATOM 1179 CA PHE A 744 8.542 4.434 10.975 1.00 23.98 C ATOM 1180 C PHE A 744 9.877 4.703 10.331 1.00 22.48 C ATOM 1181 O PHE A 744 10.264 3.966 9.422 1.00 21.98 O ATOM 1182 CB PHE A 744 8.559 3.077 11.691 1.00 23.12 C ATOM 1183 CG PHE A 744 7.418 2.925 12.661 1.00 25.11 C ATOM 1184 CD1 PHE A 744 6.172 2.509 12.201 1.00 22.62 C ATOM 1185 CD2 PHE A 744 7.575 3.287 13.994 1.00 25.05 C ATOM 1186 CE1 PHE A 744 5.095 2.408 13.057 1.00 23.96 C ATOM 1187 CE2 PHE A 744 6.504 3.212 14.865 1.00 25.92 C ATOM 1188 CZ PHE A 744 5.261 2.755 14.413 1.00 24.99 C ATOM 1189 N ILE A 745 10.546 5.757 10.804 1.00 23.34 N ATOM 1190 CA ILE A 745 11.758 6.250 10.161 1.00 22.14 C ATOM 1191 C ILE A 745 12.817 6.354 11.236 1.00 22.52 C ATOM 1192 O ILE A 745 12.522 6.766 12.353 1.00 21.53 O ATOM 1193 CB ILE A 745 11.544 7.655 9.547 1.00 22.00 C ATOM 1194 CG1 ILE A 745 10.398 7.639 8.521 1.00 20.61 C ATOM 1195 CG2 ILE A 745 12.802 8.167 8.853 1.00 22.93 C ATOM 1196 CD1 ILE A 745 9.900 9.066 8.175 1.00 22.68 C ATOM 1197 N PHE A 746 14.039 5.970 10.873 1.00 22.31 N ATOM 1198 CA PHE A 746 15.193 6.280 11.716 1.00 22.11 C ATOM 1199 C PHE A 746 16.353 6.856 10.905 1.00 23.06 C ATOM 1200 O PHE A 746 16.433 6.648 9.687 1.00 22.18 O ATOM 1201 CB PHE A 746 15.584 5.084 12.594 1.00 22.83 C ATOM 1202 CG PHE A 746 16.263 3.946 11.874 1.00 23.81 C ATOM 1203 CD1 PHE A 746 17.611 4.045 11.480 1.00 25.49 C ATOM 1204 CD2 PHE A 746 15.615 2.734 11.702 1.00 23.54 C ATOM 1205 CE1 PHE A 746 18.226 2.968 10.871 1.00 22.99 C ATOM 1206 CE2 PHE A 746 16.240 1.658 11.108 1.00 25.65 C ATOM 1207 CZ PHE A 746 17.576 1.775 10.689 1.00 23.39 C ATOM 1208 N GLU A 747 17.249 7.560 11.616 1.00 23.13 N ATOM 1209 CA GLU A 747 18.410 8.156 10.989 1.00 22.53 C ATOM 1210 C GLU A 747 19.512 7.876 11.975 1.00 21.38 C ATOM 1211 O GLU A 747 19.284 8.014 13.172 1.00 21.18 O ATOM 1212 CB GLU A 747 18.214 9.653 10.847 1.00 22.48 C ATOM 1213 CG GLU A 747 17.301 10.031 9.695 1.00 25.51 C ATOM 1214 CD GLU A 747 17.240 11.509 9.437 1.00 27.61 C ATOM 1215 OE1 GLU A 747 17.750 12.291 10.276 1.00 31.61 O ATOM 1216 OE2 GLU A 747 16.694 11.882 8.375 1.00 26.74 O ATOM 1217 N ILE A 748 20.661 7.425 11.481 1.00 20.80 N ATOM 1218 CA ILE A 748 21.847 7.290 12.343 1.00 21.24 C ATOM 1219 C ILE A 748 23.000 7.984 11.617 1.00 21.78 C ATOM 1220 O ILE A 748 23.045 8.055 10.380 1.00 22.59 O ATOM 1221 CB ILE A 748 22.208 5.793 12.686 1.00 20.33 C ATOM 1222 CG1 ILE A 748 22.537 4.982 11.428 1.00 22.85 C ATOM 1223 CG2 ILE A 748 21.170 5.128 13.655 1.00 21.91 C ATOM 1224 CD1 ILE A 748 22.757 3.507 11.643 1.00 23.38 C ATOM 1225 N PRO A 749 23.948 8.512 12.379 1.00 21.30 N ATOM 1226 CA PRO A 749 25.126 9.029 11.695 1.00 21.32 C ATOM 1227 C PRO A 749 25.900 7.877 11.032 1.00 21.75 C ATOM 1228 O PRO A 749 25.775 6.722 11.469 1.00 21.87 O ATOM 1229 CB PRO A 749 25.929 9.691 12.835 1.00 21.63 C ATOM 1230 CG PRO A 749 25.484 9.029 14.058 1.00 20.53 C ATOM 1231 CD PRO A 749 24.014 8.658 13.840 1.00 21.16 C ATOM 1232 N LYS A 750 26.688 8.175 9.994 1.00 21.57 N ATOM 1233 CA LYS A 750 27.469 7.145 9.301 1.00 21.13 C ATOM 1234 C LYS A 750 28.658 6.716 10.161 1.00 23.80 C ATOM 1235 O LYS A 750 29.154 5.595 10.024 1.00 23.59 O ATOM 1236 CB LYS A 750 28.003 7.661 7.969 1.00 20.92 C ATOM 1237 CG LYS A 750 26.910 7.893 6.908 1.00 17.54 C ATOM 1238 CD LYS A 750 27.535 8.245 5.553 1.00 19.55 C ATOM 1239 CE LYS A 750 26.423 8.219 4.447 1.00 14.89 C ATOM 1240 NZ LYS A 750 27.054 8.652 3.153 1.00 14.01 N ATOM 1241 N THR A 751 29.116 7.633 11.003 1.00 24.57 N ATOM 1242 CA THR A 751 30.137 7.328 12.013 1.00 26.82 C ATOM 1243 C THR A 751 29.774 7.885 13.406 1.00 27.75 C ATOM 1244 O THR A 751 29.232 8.985 13.494 1.00 27.14 O ATOM 1245 CB THR A 751 31.510 7.834 11.547 1.00 26.60 C ATOM 1246 OG1 THR A 751 31.491 9.255 11.345 1.00 26.51 O ATOM 1247 CG2 THR A 751 31.893 7.168 10.229 1.00 28.03 C ATOM 1248 N PRO A 752 30.092 7.141 14.499 1.00 28.87 N ATOM 1249 CA PRO A 752 29.843 7.479 15.922 1.00 28.91 C ATOM 1250 C PRO A 752 30.356 8.846 16.394 1.00 29.32 C ATOM 1251 O PRO A 752 31.226 9.445 15.751 1.00 29.15 O ATOM 1252 CB PRO A 752 30.615 6.409 16.708 1.00 29.16 C ATOM 1253 CG PRO A 752 31.277 5.527 15.716 1.00 29.89 C ATOM 1254 CD PRO A 752 30.710 5.813 14.350 1.00 29.13 C TER 1255 PRO A 752 HETATM 1256 O HOH A 1 5.637 0.374 9.302 1.00 14.02 O HETATM 1257 O HOH A 2 6.718 -0.242 14.289 1.00 14.94 O HETATM 1258 O HOH A 3 6.936 -0.658 11.600 1.00 17.19 O HETATM 1259 O HOH A 4 11.569 -16.557 4.977 1.00 18.00 O HETATM 1260 O HOH A 5 13.140 5.828 27.473 1.00 20.69 O HETATM 1261 O HOH A 6 26.545 6.615 16.157 1.00 21.24 O HETATM 1262 O HOH A 7 9.109 -15.707 7.370 1.00 21.29 O HETATM 1263 O HOH A 8 -0.751 0.637 10.752 1.00 21.44 O HETATM 1264 O HOH A 9 17.657 -13.620 7.556 1.00 21.53 O HETATM 1265 O HOH A 10 14.241 6.440 3.980 1.00 22.21 O HETATM 1266 O HOH A 11 19.900 10.193 -4.280 1.00 22.42 O HETATM 1267 O HOH A 12 2.173 0.602 11.551 1.00 22.47 O HETATM 1268 O HOH A 13 1.945 -3.566 14.428 1.00 23.56 O HETATM 1269 O HOH A 14 11.902 -18.791 6.579 1.00 23.88 O HETATM 1270 O HOH A 15 10.657 -20.564 3.255 1.00 23.96 O HETATM 1271 O HOH A 16 9.583 3.336 2.695 1.00 24.17 O HETATM 1272 O HOH A 17 5.235 3.060 24.955 1.00 24.34 O HETATM 1273 O HOH A 18 10.866 -1.990 23.917 1.00 24.36 O HETATM 1274 O HOH A 19 27.466 2.621 -4.318 1.00 24.60 O HETATM 1275 O HOH A 20 6.647 -0.397 22.071 1.00 24.69 O HETATM 1276 O HOH A 21 8.126 -0.323 23.825 1.00 24.76 O HETATM 1277 O HOH A 22 8.059 -10.896 -1.128 1.00 24.96 O HETATM 1278 O HOH A 23 4.912 -2.266 -1.540 1.00 25.60 O HETATM 1279 O HOH A 24 12.039 4.736 25.227 1.00 26.79 O HETATM 1280 O HOH A 25 21.022 7.813 -5.828 1.00 26.92 O HETATM 1281 O HOH A 26 2.262 7.741 12.928 1.00 27.08 O HETATM 1282 O HOH A 27 0.119 -6.015 26.948 1.00 27.25 O HETATM 1283 O HOH A 28 -4.980 -10.282 8.347 1.00 27.64 O HETATM 1284 O HOH A 29 24.003 -10.576 4.557 1.00 27.66 O HETATM 1285 O HOH A 30 22.790 9.899 22.164 1.00 27.68 O HETATM 1286 O HOH A 31 28.760 10.811 10.313 1.00 27.88 O HETATM 1287 O HOH A 32 19.204 -12.856 9.946 1.00 28.87 O HETATM 1288 O HOH A 33 2.139 -0.964 26.074 1.00 29.22 O HETATM 1289 O HOH A 34 -3.785 -3.537 11.847 1.00 29.61 O HETATM 1290 O HOH A 35 -3.420 -3.179 4.663 1.00 29.98 O HETATM 1291 O HOH A 36 11.617 -17.850 2.363 1.00 30.09 O HETATM 1292 O HOH A 37 28.950 -4.062 14.872 1.00 30.11 O HETATM 1293 O HOH A 38 2.712 -3.317 -6.575 1.00 30.19 O HETATM 1294 O HOH A 39 28.134 5.805 3.236 1.00 30.37 O HETATM 1295 O HOH A 40 -5.899 -4.971 30.643 1.00 30.47 O HETATM 1296 O HOH A 41 4.063 -1.812 22.595 1.00 30.71 O HETATM 1297 O HOH A 42 28.680 -5.317 5.137 1.00 31.52 O HETATM 1298 O HOH A 43 1.357 -1.207 14.773 1.00 32.56 O HETATM 1299 O HOH A 44 6.682 16.411 8.394 1.00 32.68 O HETATM 1300 O HOH A 45 35.733 0.816 3.834 1.00 32.92 O HETATM 1301 O HOH A 46 7.187 6.451 -1.538 1.00 33.01 O HETATM 1302 O HOH A 47 35.474 1.324 15.616 1.00 33.07 O HETATM 1303 O HOH A 48 7.667 4.936 2.066 1.00 33.58 O HETATM 1304 O HOH A 49 7.926 -7.634 24.130 1.00 33.71 O HETATM 1305 O HOH A 50 2.798 1.392 24.479 1.00 33.80 O HETATM 1306 O HOH A 51 8.761 -23.154 6.299 1.00 33.87 O HETATM 1307 O HOH A 52 10.781 9.984 21.187 1.00 33.93 O HETATM 1308 O HOH A 53 13.987 -6.029 20.268 1.00 34.32 O HETATM 1309 O HOH A 54 11.304 8.908 4.787 1.00 34.70 O HETATM 1310 O HOH A 55 5.856 -18.319 7.986 1.00 35.06 O HETATM 1311 O HOH A 56 -3.639 -7.881 -2.759 1.00 35.15 O HETATM 1312 O HOH A 57 27.366 0.037 -5.684 1.00 35.18 O HETATM 1313 O HOH A 58 26.517 5.287 13.645 1.00 35.29 O HETATM 1314 O HOH A 59 -4.507 7.600 3.891 1.00 35.32 O HETATM 1315 O HOH A 60 -4.042 4.996 6.990 1.00 35.55 O HETATM 1316 O HOH A 61 9.856 14.332 8.511 1.00 35.62 O HETATM 1317 O HOH A 62 21.296 -4.620 -3.933 1.00 35.93 O HETATM 1318 O HOH A 63 -2.393 -17.658 4.254 1.00 37.05 O HETATM 1319 O HOH A 64 31.397 -5.920 7.517 1.00 37.58 O HETATM 1320 O HOH A 65 6.855 -4.037 23.337 1.00 37.94 O HETATM 1321 O HOH A 66 9.422 6.145 -0.893 1.00 38.11 O HETATM 1322 O HOH A 67 8.666 9.574 23.058 1.00 38.47 O HETATM 1323 O HOH A 68 1.653 -0.229 21.749 1.00 38.49 O HETATM 1324 O HOH A 69 27.678 -10.745 6.670 1.00 38.57 O HETATM 1325 O HOH A 70 30.579 5.236 6.114 1.00 38.61 O HETATM 1326 O HOH A 71 -1.276 12.448 10.923 1.00 38.63 O HETATM 1327 O HOH A 72 12.810 5.729 -3.578 1.00 39.15 O HETATM 1328 O HOH A 73 10.411 -4.929 23.943 1.00 39.93 O HETATM 1329 O HOH A 74 -0.965 2.652 -1.319 1.00 40.39 O HETATM 1330 O HOH A 75 32.439 -0.193 19.780 1.00 40.47 O HETATM 1331 O HOH A 76 23.692 15.132 10.069 1.00 40.81 O HETATM 1332 O HOH A 77 2.500 -11.968 -2.724 1.00 41.98 O HETATM 1333 O HOH A 78 21.709 0.061 23.165 1.00 41.99 O HETATM 1334 O HOH A 79 -4.069 -5.992 -4.182 1.00 42.61 O HETATM 1335 O HOH A 80 22.866 -5.240 -0.259 1.00 43.54 O HETATM 1336 O HOH A 81 29.954 -6.178 10.705 1.00 44.50 O HETATM 1337 O HOH A 82 2.881 -9.646 -3.646 1.00 44.51 O HETATM 1338 O HOH A 83 -0.798 -8.047 -2.310 1.00 44.80 O HETATM 1339 O HOH A 84 27.177 -7.357 5.029 1.00 44.80 O HETATM 1340 O HOH A 85 5.323 14.076 16.316 1.00 45.32 O HETATM 1341 O HOH A 86 6.593 15.380 11.441 1.00 45.53 O HETATM 1342 O HOH A 87 30.373 11.239 6.025 1.00 46.29 O HETATM 1343 O HOH A 88 9.616 -8.292 -3.772 1.00 46.38 O HETATM 1344 O HOH A 89 -1.531 11.801 24.457 1.00 48.05 O HETATM 1345 O HOH A 90 27.204 -6.466 18.243 1.00 48.14 O HETATM 1346 O HOH A 91 1.224 -5.337 19.520 1.00 48.66 O HETATM 1347 O HOH A 92 10.210 15.123 11.385 1.00 49.38 O HETATM 1348 O HOH A 93 -5.285 -7.492 29.509 1.00 49.49 O HETATM 1349 O HOH A 94 26.120 -12.030 3.755 1.00 49.81 O HETATM 1350 O HOH A 95 3.963 -20.662 5.810 1.00 51.06 O HETATM 1351 O HOH A 96 25.709 7.778 21.178 1.00 53.69 O MASTER 277 0 0 4 7 0 0 6 1350 1 0 12 END