HEADER RECEPTOR 20-JAN-09 2W8Y TITLE RU486 BOUND TO THE PROGESTERONE RECEPTOR IN A DESTABILIZED AGONISTIC TITLE 2 CONFORMATION COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROGESTERONE RECEPTOR; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: PR LBD, RESIDUES 678-933; COMPND 5 SYNONYM: PR, NUCLEAR RECEPTOR SUBFAMILY 3 GROUP C MEMBER 3; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS RECEPTOR, PROGESTERONE RECEPTOR, RU-486, MIFEPRISTONE EXPDTA X-RAY DIFFRACTION AUTHOR H.C.A.RAAIJMAKERS,J.VERSTEEG,J.C.M.UITDEHAAG REVDAT 4 27-DEC-17 2W8Y 1 AUTHOR REMARK REVDAT 3 13-JUL-11 2W8Y 1 VERSN REVDAT 2 21-JUL-09 2W8Y 1 JRNL REVDAT 1 28-APR-09 2W8Y 0 JRNL AUTH H.C.A.RAAIJMAKERS,J.VERSTEEGH,J.C.M.UITDEHAAG JRNL TITL THE X-RAY STRUCTURE OF RU486 BOUND TO THE PROGESTERONE JRNL TITL 2 RECEPTOR IN A DESTABILIZED AGONISTIC CONFORMATION. JRNL REF J.BIOL.CHEM. V. 284 19572 2009 JRNL REFN ISSN 0021-9258 JRNL PMID 19372222 JRNL DOI 10.1074/JBC.M109.007872 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.4.0078 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) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 69.67 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 96.0 REMARK 3 NUMBER OF REFLECTIONS : 43248 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) : 0.187 REMARK 3 R VALUE (WORKING SET) : 0.185 REMARK 3 FREE R VALUE : 0.218 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 2333 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) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.85 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2393 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 72.54 REMARK 3 BIN R VALUE (WORKING SET) : 0.3590 REMARK 3 BIN FREE R VALUE SET COUNT : 130 REMARK 3 BIN FREE R VALUE : 0.4180 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 4046 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 63 REMARK 3 SOLVENT ATOMS : 200 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : 21.20 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 9.02 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.11000 REMARK 3 B22 (A**2) : -0.06000 REMARK 3 B33 (A**2) : -0.03000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.12000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.142 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.128 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.098 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 7.412 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.958 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.941 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 4265 ; 0.008 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): 2934 ; 0.001 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 5790 ; 1.082 ; 2.003 REMARK 3 BOND ANGLES OTHERS (DEGREES): 7210 ; 0.844 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 515 ; 4.817 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 177 ;34.596 ;24.407 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 803 ;13.045 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 20 ;10.728 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 664 ; 0.059 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 4568 ; 0.004 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): 820 ; 0.002 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL 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): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL 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): 2540 ; 1.064 ; 2.000 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 4134 ; 1.747 ; 3.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1725 ; 1.230 ; 2.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1650 ; 1.926 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL 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 : 2 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 683 A 933 REMARK 3 ORIGIN FOR THE GROUP (A): 17.4010 -0.0170 2.0110 REMARK 3 T TENSOR REMARK 3 T11: 0.1048 T22: 0.1354 REMARK 3 T33: 0.0350 T12: -0.0091 REMARK 3 T13: 0.0248 T23: 0.0030 REMARK 3 L TENSOR REMARK 3 L11: 0.9737 L22: 1.8174 REMARK 3 L33: 1.5617 L12: 0.2356 REMARK 3 L13: -0.3644 L23: 0.6069 REMARK 3 S TENSOR REMARK 3 S11: 0.0312 S12: -0.0706 S13: 0.0742 REMARK 3 S21: 0.0926 S22: 0.0147 S23: 0.0503 REMARK 3 S31: -0.0126 S32: 0.1387 S33: -0.0459 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 683 B 933 REMARK 3 ORIGIN FOR THE GROUP (A): -4.0660 12.3560 -33.0040 REMARK 3 T TENSOR REMARK 3 T11: 0.1501 T22: 0.0651 REMARK 3 T33: 0.0206 T12: 0.0063 REMARK 3 T13: 0.0537 T23: 0.0112 REMARK 3 L TENSOR REMARK 3 L11: 1.2838 L22: 2.0964 REMARK 3 L33: 1.4236 L12: -0.3148 REMARK 3 L13: 0.1800 L23: -0.3394 REMARK 3 S TENSOR REMARK 3 S11: -0.0543 S12: -0.0672 S13: -0.0615 REMARK 3 S21: 0.1313 S22: 0.0174 S23: -0.0349 REMARK 3 S31: 0.0746 S32: -0.0264 S33: 0.0370 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS. U VALUES RESIDUAL ONLY. THE DIMETHYLAMINOREMARK A909. REMARK 3 IN REALITY WE PROBABLY OBSERVE THE AVERAGE OF AN ENSEMBLE OF REMARK 3 SUBTLY DIFFERENT DIMETHYLANILINE AND MET909 ORIENTATIONS, EACH REMARK 3 STERICALLY ALLOWED. FOR THE FINAL REFINEMENT I SET THE OCCUPANCY REMARK 3 OF M909 SIDECHAIN TO 0, TO IMPROVE THE FIT OF THE REMARK 3 DIMETHYLANILINE TO THE ELECTRON DENSITY. REMARK 4 REMARK 4 2W8Y COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 20-JAN-09. REMARK 100 THE DEPOSITION ID IS D_1290038546. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 17-NOV-05 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID14-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9340 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 45609 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 47.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -5.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.1 REMARK 200 DATA REDUNDANCY : 3.400 REMARK 200 R MERGE (I) : 0.10000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 7.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.90 REMARK 200 COMPLETENESS FOR SHELL (%) : 77.8 REMARK 200 DATA REDUNDANCY IN SHELL : 2.50 REMARK 200 R MERGE FOR SHELL (I) : 0.90000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.200 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NONE REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 41.46 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.12 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 22.5% PEG4000, 0.1M HEPES 6.5, 100 MM REMARK 280 LI2SO4, PH 6.5 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 31.94850 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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: PQS 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PQS REMARK 350 APPLY THE FOLLOWING TO CHAINS: B 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 GLY A 674 REMARK 465 SER A 675 REMARK 465 HIS A 676 REMARK 465 MET A 677 REMARK 465 GLY A 678 REMARK 465 GLN A 679 REMARK 465 ASP A 680 REMARK 465 ILE A 681 REMARK 465 GLN A 682 REMARK 465 GLY B 674 REMARK 465 SER B 675 REMARK 465 HIS B 676 REMARK 465 MET B 677 REMARK 465 GLY B 678 REMARK 465 GLN B 679 REMARK 465 ASP B 680 REMARK 465 ILE B 681 REMARK 465 GLN B 682 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 932 CG CD CE NZ REMARK 470 LYS A 933 CA C O CB CG CD CE REMARK 470 LYS A 933 NZ REMARK 470 LYS B 932 CG CD CE NZ REMARK 470 LYS B 933 CA C O CB CG CD CE REMARK 470 LYS B 933 NZ REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 MET A 909 CB CG SD CE 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 SER A 793 -15.77 99.98 REMARK 500 PHE A 794 52.42 -142.55 REMARK 500 SER A 837 51.44 -102.11 REMARK 500 GLN A 916 -16.23 -150.00 REMARK 500 MET A 924 42.10 -93.77 REMARK 500 LYS A 932 -85.75 -77.47 REMARK 500 LEU B 782 78.37 -150.91 REMARK 500 MET B 789 68.78 -108.41 REMARK 500 SER B 837 49.98 -102.17 REMARK 500 GLN B 916 -15.78 -140.93 REMARK 500 MET B 924 41.96 -91.83 REMARK 500 LYS B 932 -165.57 -68.72 REMARK 500 REMARK 500 REMARK: NULL REMARK 600 REMARK 600 HETEROGEN REMARK 600 REMARK 600 NORETHINDRONE (NDR): ALSO KNOWN AS NORETHISTERONE REMARK 600 MIFEPRISTONE (486): RU486, 11BETA-4-N, REMARK 600 N-DIMETHYLAMINOPHENYL-17ALPHA-PROP-1-YNYL-DELTA4, REMARK 600 9-ESTRADIENE-17BETA-OL-3-ONE REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 486 A 1000 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NDR B 1000 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO B 1934 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1934 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2C7A RELATED DB: PDB REMARK 900 STRUCTURE OF THE PROGESTERONE RECEPTOR-DNA COMPLEX REMARK 900 RELATED ID: 1A28 RELATED DB: PDB REMARK 900 HORMONE-BOUND HUMAN PROGESTERONE RECEPTOR LIGAND-BINDING DOMAIN REMARK 900 RELATED ID: 1ZUC RELATED DB: PDB REMARK 900 PROGESTERONE RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITHTHE REMARK 900 NONSTEROIDAL AGONIST TANAPROGET REMARK 900 RELATED ID: 1SQN RELATED DB: PDB REMARK 900 PROGESTERONE RECEPTOR LIGAND BINDING DOMAIN WITH BOUNDNORETHINDRONE REMARK 900 RELATED ID: 1SR7 RELATED DB: PDB REMARK 900 PROGESTERONE RECEPTOR HORMONE BINDING DOMAIN WITH BOUNDMOMETASONE REMARK 900 FUROATE REMARK 900 RELATED ID: 1E3K RELATED DB: PDB REMARK 900 HUMAN PROGESTERON RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH REMARK 900 THE LIGAND METRIBOLONE (R1881) DBREF 2W8Y A 674 677 PDB 2W8Y 2W8Y 674 677 DBREF 2W8Y A 678 933 UNP P06401 PRGR_HUMAN 678 933 DBREF 2W8Y B 674 677 PDB 2W8Y 2W8Y 674 677 DBREF 2W8Y B 678 933 UNP P06401 PRGR_HUMAN 678 933 SEQRES 1 A 260 GLY SER HIS MET GLY GLN ASP ILE GLN LEU ILE PRO PRO SEQRES 2 A 260 LEU ILE ASN LEU LEU MET SER ILE GLU PRO ASP VAL ILE SEQRES 3 A 260 TYR ALA GLY HIS ASP ASN THR LYS PRO ASP THR SER SER SEQRES 4 A 260 SER LEU LEU THR SER LEU ASN GLN LEU GLY GLU ARG GLN SEQRES 5 A 260 LEU LEU SER VAL VAL LYS TRP SER LYS SER LEU PRO GLY SEQRES 6 A 260 PHE ARG ASN LEU HIS ILE ASP ASP GLN ILE THR LEU ILE SEQRES 7 A 260 GLN TYR SER TRP MET SER LEU MET VAL PHE GLY LEU GLY SEQRES 8 A 260 TRP ARG SER TYR LYS HIS VAL SER GLY GLN MET LEU TYR SEQRES 9 A 260 PHE ALA PRO ASP LEU ILE LEU ASN GLU GLN ARG MET LYS SEQRES 10 A 260 GLU SER SER PHE TYR SER LEU CYS LEU THR MET TRP GLN SEQRES 11 A 260 ILE PRO GLN GLU PHE VAL LYS LEU GLN VAL SER GLN GLU SEQRES 12 A 260 GLU PHE LEU CYS MET LYS VAL LEU LEU LEU LEU ASN THR SEQRES 13 A 260 ILE PRO LEU GLU GLY LEU ARG SER GLN THR GLN PHE GLU SEQRES 14 A 260 GLU MET ARG SER SER TYR ILE ARG GLU LEU ILE LYS ALA SEQRES 15 A 260 ILE GLY LEU ARG GLN LYS GLY VAL VAL SER SER SER GLN SEQRES 16 A 260 ARG PHE TYR GLN LEU THR LYS LEU LEU ASP ASN LEU HIS SEQRES 17 A 260 ASP LEU VAL LYS GLN LEU HIS LEU TYR CYS LEU ASN THR SEQRES 18 A 260 PHE ILE GLN SER ARG ALA LEU SER VAL GLU PHE PRO GLU SEQRES 19 A 260 MET MET SER GLU VAL ILE ALA ALA GLN LEU PRO LYS ILE SEQRES 20 A 260 LEU ALA GLY MET VAL LYS PRO LEU LEU PHE HIS LYS LYS SEQRES 1 B 260 GLY SER HIS MET GLY GLN ASP ILE GLN LEU ILE PRO PRO SEQRES 2 B 260 LEU ILE ASN LEU LEU MET SER ILE GLU PRO ASP VAL ILE SEQRES 3 B 260 TYR ALA GLY HIS ASP ASN THR LYS PRO ASP THR SER SER SEQRES 4 B 260 SER LEU LEU THR SER LEU ASN GLN LEU GLY GLU ARG GLN SEQRES 5 B 260 LEU LEU SER VAL VAL LYS TRP SER LYS SER LEU PRO GLY SEQRES 6 B 260 PHE ARG ASN LEU HIS ILE ASP ASP GLN ILE THR LEU ILE SEQRES 7 B 260 GLN TYR SER TRP MET SER LEU MET VAL PHE GLY LEU GLY SEQRES 8 B 260 TRP ARG SER TYR LYS HIS VAL SER GLY GLN MET LEU TYR SEQRES 9 B 260 PHE ALA PRO ASP LEU ILE LEU ASN GLU GLN ARG MET LYS SEQRES 10 B 260 GLU SER SER PHE TYR SER LEU CYS LEU THR MET TRP GLN SEQRES 11 B 260 ILE PRO GLN GLU PHE VAL LYS LEU GLN VAL SER GLN GLU SEQRES 12 B 260 GLU PHE LEU CYS MET LYS VAL LEU LEU LEU LEU ASN THR SEQRES 13 B 260 ILE PRO LEU GLU GLY LEU ARG SER GLN THR GLN PHE GLU SEQRES 14 B 260 GLU MET ARG SER SER TYR ILE ARG GLU LEU ILE LYS ALA SEQRES 15 B 260 ILE GLY LEU ARG GLN LYS GLY VAL VAL SER SER SER GLN SEQRES 16 B 260 ARG PHE TYR GLN LEU THR LYS LEU LEU ASP ASN LEU HIS SEQRES 17 B 260 ASP LEU VAL LYS GLN LEU HIS LEU TYR CYS LEU ASN THR SEQRES 18 B 260 PHE ILE GLN SER ARG ALA LEU SER VAL GLU PHE PRO GLU SEQRES 19 B 260 MET MET SER GLU VAL ILE ALA ALA GLN LEU PRO LYS ILE SEQRES 20 B 260 LEU ALA GLY MET VAL LYS PRO LEU LEU PHE HIS LYS LYS HET 486 A1000 32 HET SO4 A1934 5 HET NDR B1000 22 HET EDO B1934 4 HETNAM 486 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17- HETNAM 2 486 PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC HETNAM 3 486 AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE HETNAM SO4 SULFATE ION HETNAM NDR (14BETA,17ALPHA)-17-ETHYNYL-17-HYDROXYESTR-4-EN-3-ONE HETNAM EDO 1,2-ETHANEDIOL HETSYN 486 RU-486, MIFEPRISTONE HETSYN EDO ETHYLENE GLYCOL FORMUL 3 486 C29 H35 N O2 FORMUL 4 SO4 O4 S 2- FORMUL 5 NDR C20 H26 O2 FORMUL 6 EDO C2 H6 O2 FORMUL 7 HOH *200(H2 O) HELIX 1 1 PRO A 685 ILE A 694 1 10 HELIX 2 2 THR A 710 LEU A 736 1 27 HELIX 3 3 GLY A 738 LEU A 742 5 5 HELIX 4 4 HIS A 743 SER A 772 1 30 HELIX 5 5 ASN A 785 GLU A 791 1 7 HELIX 6 6 PHE A 794 GLN A 812 1 19 HELIX 7 7 SER A 814 LEU A 827 1 14 HELIX 8 8 SER A 837 LEU A 858 1 22 HELIX 9 9 GLY A 862 GLN A 897 1 36 HELIX 10 10 GLN A 897 SER A 902 1 6 HELIX 11 11 PRO A 906 ALA A 922 1 17 HELIX 12 12 PRO B 685 ILE B 694 1 10 HELIX 13 13 THR B 710 LEU B 736 1 27 HELIX 14 14 GLY B 738 LEU B 742 5 5 HELIX 15 15 HIS B 743 SER B 772 1 30 HELIX 16 16 ASN B 785 MET B 789 5 5 HELIX 17 17 GLU B 791 GLN B 812 1 22 HELIX 18 18 SER B 814 LEU B 827 1 14 HELIX 19 19 SER B 837 LEU B 858 1 22 HELIX 20 20 GLY B 862 GLN B 897 1 36 HELIX 21 21 GLN B 897 SER B 902 1 6 HELIX 22 22 PRO B 906 ALA B 922 1 17 SHEET 1 AA 2 LEU A 776 ALA A 779 0 SHEET 2 AA 2 LEU A 782 LEU A 784 -1 O LEU A 782 N ALA A 779 SHEET 1 AB 2 THR A 829 ILE A 830 0 SHEET 2 AB 2 LYS A 926 PRO A 927 -1 O LYS A 926 N ILE A 830 SHEET 1 BA 2 LEU B 776 ALA B 779 0 SHEET 2 BA 2 LEU B 782 LEU B 784 -1 O LEU B 782 N ALA B 779 SHEET 1 BB 2 THR B 829 PRO B 831 0 SHEET 2 BB 2 VAL B 925 PRO B 927 -1 O LYS B 926 N ILE B 830 SITE 1 AC1 18 LEU A 715 LEU A 718 ASN A 719 LEU A 721 SITE 2 AC1 18 GLY A 722 GLU A 723 GLN A 725 TRP A 755 SITE 3 AC1 18 MET A 756 MET A 759 ARG A 766 PHE A 794 SITE 4 AC1 18 LEU A 797 MET A 801 TYR A 890 CYS A 891 SITE 5 AC1 18 MET A 909 HOH A2016 SITE 1 AC2 10 LEU B 715 LEU B 718 ASN B 719 GLN B 725 SITE 2 AC2 10 MET B 756 MET B 759 ARG B 766 MET B 801 SITE 3 AC2 10 TYR B 890 CYS B 891 SITE 1 AC3 3 TRP B 765 HIS B 770 GLN B 815 SITE 1 AC4 5 PRO A 737 GLY A 738 ARG A 740 ASN A 741 SITE 2 AC4 5 HOH A2106 CRYST1 58.164 63.897 70.051 90.00 95.57 90.00 P 1 21 1 4 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 0.017193 0.000000 0.001677 0.00000 SCALE2 0.000000 0.015650 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014343 0.00000 ATOM 1 N LEU A 683 34.956 1.007 -19.548 1.00 19.98 N ATOM 2 CA LEU A 683 33.522 1.404 -19.621 1.00 19.91 C ATOM 3 C LEU A 683 32.702 0.636 -18.585 1.00 18.35 C ATOM 4 O LEU A 683 33.188 -0.322 -17.985 1.00 18.84 O ATOM 5 CB LEU A 683 32.970 1.182 -21.033 1.00 21.14 C ATOM 6 CG LEU A 683 33.397 -0.091 -21.778 1.00 22.32 C ATOM 7 CD1 LEU A 683 32.800 -1.342 -21.139 1.00 23.06 C ATOM 8 CD2 LEU A 683 33.013 0.004 -23.256 1.00 23.06 C ATOM 9 N ILE A 684 31.458 1.056 -18.385 1.00 16.79 N ATOM 10 CA ILE A 684 30.594 0.438 -17.371 1.00 15.13 C ATOM 11 C ILE A 684 29.959 -0.839 -17.918 1.00 14.15 C ATOM 12 O ILE A 684 29.403 -0.825 -19.013 1.00 11.72 O ATOM 13 CB ILE A 684 29.464 1.387 -16.908 1.00 15.29 C ATOM 14 CG1 ILE A 684 30.007 2.779 -16.573 1.00 15.35 C ATOM 15 CG2 ILE A 684 28.765 0.811 -15.705 1.00 13.58 C ATOM 16 CD1 ILE A 684 31.152 2.767 -15.617 1.00 15.69 C ATOM 17 N PRO A 685 30.017 -1.950 -17.151 1.00 13.78 N ATOM 18 CA PRO A 685 29.380 -3.189 -17.607 1.00 12.91 C ATOM 19 C PRO A 685 27.868 -3.024 -17.796 1.00 11.73 C ATOM 20 O PRO A 685 27.230 -2.291 -17.021 1.00 9.38 O ATOM 21 CB PRO A 685 29.653 -4.174 -16.461 1.00 13.96 C ATOM 22 CG PRO A 685 30.752 -3.593 -15.689 1.00 13.46 C ATOM 23 CD PRO A 685 30.617 -2.114 -15.819 1.00 13.43 C ATOM 24 N PRO A 686 27.295 -3.719 -18.797 1.00 10.54 N ATOM 25 CA PRO A 686 25.911 -3.467 -19.189 1.00 10.93 C ATOM 26 C PRO A 686 24.893 -3.647 -18.067 1.00 9.18 C ATOM 27 O PRO A 686 23.938 -2.878 -18.006 1.00 8.79 O ATOM 28 CB PRO A 686 25.665 -4.490 -20.316 1.00 10.28 C ATOM 29 CG PRO A 686 26.728 -5.524 -20.144 1.00 10.81 C ATOM 30 CD PRO A 686 27.913 -4.731 -19.675 1.00 10.93 C ATOM 31 N LEU A 687 25.077 -4.631 -17.189 1.00 7.64 N ATOM 32 CA LEU A 687 24.110 -4.809 -16.100 1.00 6.62 C ATOM 33 C LEU A 687 24.120 -3.606 -15.131 1.00 7.38 C ATOM 34 O LEU A 687 23.063 -3.192 -14.639 1.00 7.89 O ATOM 35 CB LEU A 687 24.343 -6.121 -15.340 1.00 7.09 C ATOM 36 CG LEU A 687 23.392 -6.419 -14.168 1.00 6.19 C ATOM 37 CD1 LEU A 687 21.932 -6.446 -14.619 1.00 6.71 C ATOM 38 CD2 LEU A 687 23.728 -7.748 -13.501 1.00 6.61 C ATOM 39 N ILE A 688 25.296 -3.040 -14.860 1.00 7.04 N ATOM 40 CA ILE A 688 25.373 -1.858 -14.002 1.00 7.97 C ATOM 41 C ILE A 688 24.665 -0.688 -14.699 1.00 8.50 C ATOM 42 O ILE A 688 23.907 0.064 -14.078 1.00 8.90 O ATOM 43 CB ILE A 688 26.831 -1.510 -13.608 1.00 7.86 C ATOM 44 CG1 ILE A 688 27.415 -2.626 -12.724 1.00 8.40 C ATOM 45 CG2 ILE A 688 26.851 -0.227 -12.816 1.00 7.56 C ATOM 46 CD1 ILE A 688 28.890 -2.451 -12.365 1.00 8.91 C ATOM 47 N ASN A 689 24.881 -0.575 -15.998 1.00 10.04 N ATOM 48 CA ASN A 689 24.194 0.422 -16.813 1.00 11.28 C ATOM 49 C ASN A 689 22.666 0.277 -16.781 1.00 9.83 C ATOM 50 O ASN A 689 21.932 1.254 -16.656 1.00 8.18 O ATOM 51 CB ASN A 689 24.685 0.325 -18.254 1.00 14.47 C ATOM 52 CG ASN A 689 25.283 1.601 -18.725 1.00 17.47 C ATOM 53 OD1 ASN A 689 24.714 2.671 -18.511 1.00 20.63 O ATOM 54 ND2 ASN A 689 26.451 1.515 -19.359 1.00 19.64 N ATOM 55 N LEU A 690 22.195 -0.954 -16.902 1.00 9.31 N ATOM 56 CA LEU A 690 20.770 -1.242 -16.754 1.00 8.50 C ATOM 57 C LEU A 690 20.264 -0.818 -15.371 1.00 7.47 C ATOM 58 O LEU A 690 19.229 -0.162 -15.262 1.00 6.71 O ATOM 59 CB LEU A 690 20.522 -2.723 -16.962 1.00 8.90 C ATOM 60 CG LEU A 690 19.061 -3.151 -17.038 1.00 8.34 C ATOM 61 CD1 LEU A 690 19.012 -4.430 -17.774 1.00 9.99 C ATOM 62 CD2 LEU A 690 18.436 -3.319 -15.668 1.00 8.05 C ATOM 63 N LEU A 691 21.000 -1.185 -14.327 1.00 6.28 N ATOM 64 CA LEU A 691 20.611 -0.834 -12.957 1.00 6.45 C ATOM 65 C LEU A 691 20.471 0.685 -12.774 1.00 6.67 C ATOM 66 O LEU A 691 19.521 1.135 -12.144 1.00 5.32 O ATOM 67 CB LEU A 691 21.593 -1.408 -11.925 1.00 5.09 C ATOM 68 CG LEU A 691 21.606 -2.926 -11.682 1.00 5.87 C ATOM 69 CD1 LEU A 691 22.654 -3.259 -10.651 1.00 5.90 C ATOM 70 CD2 LEU A 691 20.222 -3.461 -11.238 1.00 5.46 C ATOM 71 N MET A 692 21.402 1.466 -13.318 1.00 9.05 N ATOM 72 CA AMET A 692 21.274 2.920 -13.219 0.50 9.69 C ATOM 73 CA BMET A 692 21.322 2.933 -13.303 0.50 9.94 C ATOM 74 C MET A 692 19.998 3.388 -13.909 1.00 9.80 C ATOM 75 O MET A 692 19.283 4.219 -13.354 1.00 10.66 O ATOM 76 CB AMET A 692 22.487 3.657 -13.792 0.50 10.60 C ATOM 77 CB BMET A 692 22.467 3.551 -14.135 0.50 11.11 C ATOM 78 CG AMET A 692 22.455 5.175 -13.535 0.50 11.30 C ATOM 79 CG BMET A 692 23.879 3.429 -13.552 0.50 12.23 C ATOM 80 SD AMET A 692 22.183 5.653 -11.807 0.50 13.17 S ATOM 81 SD BMET A 692 25.188 3.913 -14.721 0.50 15.16 S ATOM 82 CE AMET A 692 22.112 7.441 -11.964 0.50 12.87 C ATOM 83 CE BMET A 692 24.458 5.354 -15.490 0.50 14.07 C ATOM 84 N SER A 693 19.702 2.847 -15.089 1.00 10.99 N ATOM 85 CA SER A 693 18.527 3.270 -15.862 1.00 11.41 C ATOM 86 C SER A 693 17.186 2.970 -15.171 1.00 10.13 C ATOM 87 O SER A 693 16.207 3.658 -15.426 1.00 9.21 O ATOM 88 CB SER A 693 18.537 2.625 -17.249 1.00 12.82 C ATOM 89 OG SER A 693 18.232 1.250 -17.144 1.00 13.11 O ATOM 90 N ILE A 694 17.135 1.953 -14.312 1.00 9.38 N ATOM 91 CA ILE A 694 15.870 1.594 -13.643 1.00 8.65 C ATOM 92 C ILE A 694 15.736 2.155 -12.227 1.00 9.91 C ATOM 93 O ILE A 694 14.763 1.866 -11.527 1.00 11.64 O ATOM 94 CB ILE A 694 15.627 0.064 -13.648 1.00 7.61 C ATOM 95 CG1 ILE A 694 16.680 -0.682 -12.823 1.00 7.90 C ATOM 96 CG2 ILE A 694 15.586 -0.434 -15.102 1.00 6.56 C ATOM 97 CD1 ILE A 694 16.321 -2.146 -12.529 1.00 8.05 C ATOM 98 N GLU A 695 16.703 2.955 -11.800 1.00 10.28 N ATOM 99 CA GLU A 695 16.585 3.648 -10.525 1.00 11.77 C ATOM 100 C GLU A 695 15.315 4.497 -10.471 1.00 12.86 C ATOM 101 O GLU A 695 14.967 5.158 -11.447 1.00 13.72 O ATOM 102 CB GLU A 695 17.799 4.538 -10.268 1.00 12.81 C ATOM 103 CG GLU A 695 18.955 3.804 -9.652 1.00 13.66 C ATOM 104 CD GLU A 695 18.632 3.307 -8.255 1.00 13.60 C ATOM 105 OE1 GLU A 695 18.193 2.148 -8.116 1.00 11.37 O ATOM 106 OE2 GLU A 695 18.792 4.086 -7.298 1.00 15.45 O ATOM 107 N PRO A 696 14.617 4.485 -9.329 1.00 13.55 N ATOM 108 CA PRO A 696 13.444 5.359 -9.225 1.00 14.70 C ATOM 109 C PRO A 696 13.794 6.835 -9.348 1.00 13.71 C ATOM 110 O PRO A 696 14.887 7.237 -8.986 1.00 13.28 O ATOM 111 CB PRO A 696 12.923 5.084 -7.818 1.00 15.45 C ATOM 112 CG PRO A 696 13.426 3.698 -7.480 1.00 16.51 C ATOM 113 CD PRO A 696 14.729 3.547 -8.199 1.00 15.53 C ATOM 114 N ASP A 697 12.872 7.636 -9.862 1.00 14.67 N ATOM 115 CA ASP A 697 13.030 9.077 -9.793 1.00 15.90 C ATOM 116 C ASP A 697 12.954 9.566 -8.342 1.00 15.05 C ATOM 117 O ASP A 697 12.671 8.805 -7.426 1.00 10.94 O ATOM 118 CB ASP A 697 11.958 9.787 -10.624 1.00 18.52 C ATOM 119 CG ASP A 697 12.428 10.097 -12.022 1.00 20.59 C ATOM 120 OD1 ASP A 697 12.305 9.218 -12.907 1.00 22.71 O ATOM 121 OD2 ASP A 697 12.922 11.223 -12.233 1.00 22.12 O ATOM 122 N VAL A 698 13.236 10.850 -8.170 1.00 15.66 N ATOM 123 CA VAL A 698 13.077 11.555 -6.906 1.00 16.34 C ATOM 124 C VAL A 698 11.662 11.367 -6.343 1.00 14.39 C ATOM 125 O VAL A 698 10.677 11.460 -7.086 1.00 14.13 O ATOM 126 CB VAL A 698 13.370 13.070 -7.116 1.00 17.63 C ATOM 127 CG1 VAL A 698 12.466 13.648 -8.207 1.00 18.57 C ATOM 128 CG2 VAL A 698 13.222 13.841 -5.820 1.00 18.34 C ATOM 129 N ILE A 699 11.571 11.073 -5.043 1.00 12.74 N ATOM 130 CA ILE A 699 10.278 10.886 -4.366 1.00 11.28 C ATOM 131 C ILE A 699 10.108 11.874 -3.213 1.00 10.13 C ATOM 132 O ILE A 699 10.968 11.965 -2.345 1.00 7.63 O ATOM 133 CB ILE A 699 10.117 9.462 -3.826 1.00 10.54 C ATOM 134 CG1 ILE A 699 10.093 8.465 -4.988 1.00 10.86 C ATOM 135 CG2 ILE A 699 8.833 9.334 -3.014 1.00 9.17 C ATOM 136 CD1 ILE A 699 10.173 7.024 -4.553 1.00 10.64 C ATOM 137 N TYR A 700 8.979 12.585 -3.215 1.00 10.60 N ATOM 138 CA TYR A 700 8.671 13.592 -2.202 1.00 11.52 C ATOM 139 C TYR A 700 7.857 13.008 -1.043 1.00 9.79 C ATOM 140 O TYR A 700 7.105 12.057 -1.218 1.00 9.27 O ATOM 141 CB TYR A 700 7.899 14.752 -2.841 1.00 13.67 C ATOM 142 CG TYR A 700 8.705 15.532 -3.852 1.00 15.94 C ATOM 143 CD1 TYR A 700 9.324 16.732 -3.508 1.00 17.40 C ATOM 144 CD2 TYR A 700 8.855 15.064 -5.153 1.00 17.54 C ATOM 145 CE1 TYR A 700 10.075 17.444 -4.442 1.00 19.01 C ATOM 146 CE2 TYR A 700 9.592 15.761 -6.085 1.00 18.66 C ATOM 147 CZ TYR A 700 10.201 16.948 -5.729 1.00 19.58 C ATOM 148 OH TYR A 700 10.938 17.626 -6.669 1.00 20.95 O ATOM 149 N ALA A 701 8.019 13.592 0.139 1.00 8.59 N ATOM 150 CA ALA A 701 7.270 13.189 1.323 1.00 7.19 C ATOM 151 C ALA A 701 5.863 13.791 1.359 1.00 8.32 C ATOM 152 O ALA A 701 4.961 13.227 1.982 1.00 6.97 O ATOM 153 CB ALA A 701 8.028 13.582 2.580 1.00 7.76 C ATOM 154 N GLY A 702 5.687 14.931 0.694 1.00 8.38 N ATOM 155 CA GLY A 702 4.468 15.727 0.824 1.00 9.04 C ATOM 156 C GLY A 702 4.365 16.464 2.151 1.00 8.96 C ATOM 157 O GLY A 702 3.272 16.852 2.560 1.00 10.34 O ATOM 158 N HIS A 703 5.501 16.677 2.810 1.00 8.58 N ATOM 159 CA HIS A 703 5.534 17.331 4.111 1.00 9.09 C ATOM 160 C HIS A 703 5.232 18.829 4.000 1.00 8.86 C ATOM 161 O HIS A 703 5.699 19.495 3.084 1.00 7.58 O ATOM 162 CB HIS A 703 6.899 17.136 4.775 1.00 9.44 C ATOM 163 CG HIS A 703 6.953 17.616 6.190 1.00 9.40 C ATOM 164 ND1 HIS A 703 6.530 16.847 7.252 1.00 10.19 N ATOM 165 CD2 HIS A 703 7.384 18.784 6.721 1.00 10.05 C ATOM 166 CE1 HIS A 703 6.689 17.523 8.375 1.00 10.55 C ATOM 167 NE2 HIS A 703 7.205 18.704 8.081 1.00 10.13 N ATOM 168 N ASP A 704 4.448 19.343 4.944 1.00 9.83 N ATOM 169 CA ASP A 704 4.134 20.770 5.010 1.00 9.73 C ATOM 170 C ASP A 704 5.195 21.485 5.841 1.00 10.90 C ATOM 171 O ASP A 704 5.169 21.449 7.074 1.00 10.85 O ATOM 172 CB ASP A 704 2.748 20.987 5.614 1.00 9.25 C ATOM 173 CG ASP A 704 2.360 22.461 5.693 1.00 8.74 C ATOM 174 OD1 ASP A 704 3.126 23.329 5.222 1.00 7.74 O ATOM 175 OD2 ASP A 704 1.277 22.746 6.242 1.00 8.33 O ATOM 176 N ASN A 705 6.119 22.145 5.154 1.00 11.96 N ATOM 177 CA ASN A 705 7.247 22.796 5.811 1.00 13.49 C ATOM 178 C ASN A 705 6.923 24.192 6.343 1.00 14.32 C ATOM 179 O ASN A 705 7.795 24.846 6.917 1.00 15.49 O ATOM 180 CB ASN A 705 8.455 22.850 4.860 1.00 13.18 C ATOM 181 CG ASN A 705 9.108 21.492 4.675 1.00 13.55 C ATOM 182 OD1 ASN A 705 9.650 20.920 5.621 1.00 14.37 O ATOM 183 ND2 ASN A 705 9.060 20.965 3.452 1.00 13.00 N ATOM 184 N THR A 706 5.683 24.647 6.165 1.00 15.45 N ATOM 185 CA THR A 706 5.276 25.972 6.651 1.00 16.36 C ATOM 186 C THR A 706 4.887 25.944 8.133 1.00 17.11 C ATOM 187 O THR A 706 4.757 26.995 8.754 1.00 18.39 O ATOM 188 CB THR A 706 4.102 26.559 5.828 1.00 16.25 C ATOM 189 OG1 THR A 706 2.917 25.784 6.045 1.00 15.95 O ATOM 190 CG2 THR A 706 4.437 26.585 4.337 1.00 16.01 C ATOM 191 N LYS A 707 4.697 24.745 8.684 1.00 18.27 N ATOM 192 CA LYS A 707 4.351 24.554 10.094 1.00 18.93 C ATOM 193 C LYS A 707 5.524 23.921 10.847 1.00 18.00 C ATOM 194 O LYS A 707 6.273 23.148 10.262 1.00 17.33 O ATOM 195 CB LYS A 707 3.126 23.638 10.213 1.00 20.47 C ATOM 196 CG LYS A 707 1.817 24.252 9.704 1.00 21.33 C ATOM 197 CD LYS A 707 0.733 23.185 9.547 1.00 22.07 C ATOM 198 CE LYS A 707 -0.581 23.787 9.056 1.00 22.71 C ATOM 199 NZ LYS A 707 -1.614 22.742 8.785 1.00 23.32 N ATOM 200 N PRO A 708 5.671 24.221 12.155 1.00 17.15 N ATOM 201 CA PRO A 708 6.781 23.651 12.927 1.00 16.69 C ATOM 202 C PRO A 708 6.645 22.141 13.171 1.00 15.70 C ATOM 203 O PRO A 708 5.534 21.638 13.313 1.00 14.17 O ATOM 204 CB PRO A 708 6.711 24.406 14.264 1.00 16.98 C ATOM 205 CG PRO A 708 5.750 25.535 14.053 1.00 17.59 C ATOM 206 CD PRO A 708 4.815 25.074 12.995 1.00 17.58 C ATOM 207 N ASP A 709 7.775 21.438 13.235 1.00 14.78 N ATOM 208 CA ASP A 709 7.776 19.989 13.465 1.00 14.44 C ATOM 209 C ASP A 709 7.064 19.590 14.745 1.00 13.67 C ATOM 210 O ASP A 709 7.150 20.276 15.758 1.00 13.15 O ATOM 211 CB ASP A 709 9.204 19.446 13.568 1.00 14.83 C ATOM 212 CG ASP A 709 9.902 19.360 12.238 1.00 15.45 C ATOM 213 OD1 ASP A 709 9.269 19.606 11.191 1.00 15.71 O ATOM 214 OD2 ASP A 709 11.101 19.031 12.250 1.00 15.99 O ATOM 215 N THR A 710 6.375 18.460 14.688 1.00 13.27 N ATOM 216 CA THR A 710 5.924 17.770 15.891 1.00 13.31 C ATOM 217 C THR A 710 6.273 16.299 15.730 1.00 13.61 C ATOM 218 O THR A 710 6.503 15.826 14.613 1.00 13.05 O ATOM 219 CB THR A 710 4.401 17.928 16.132 1.00 13.14 C ATOM 220 OG1 THR A 710 3.666 17.316 15.061 1.00 12.67 O ATOM 221 CG2 THR A 710 4.012 19.405 16.249 1.00 12.20 C ATOM 222 N SER A 711 6.319 15.582 16.845 1.00 14.31 N ATOM 223 CA SER A 711 6.504 14.141 16.821 1.00 15.61 C ATOM 224 C SER A 711 5.533 13.476 15.833 1.00 15.29 C ATOM 225 O SER A 711 5.947 12.667 15.000 1.00 15.16 O ATOM 226 CB SER A 711 6.315 13.572 18.227 1.00 16.16 C ATOM 227 OG SER A 711 6.332 12.159 18.211 1.00 18.20 O ATOM 228 N SER A 712 4.252 13.841 15.908 1.00 14.61 N ATOM 229 CA SER A 712 3.223 13.196 15.076 1.00 14.22 C ATOM 230 C SER A 712 3.344 13.552 13.591 1.00 12.58 C ATOM 231 O SER A 712 3.225 12.671 12.725 1.00 10.94 O ATOM 232 CB SER A 712 1.807 13.514 15.590 1.00 14.87 C ATOM 233 OG SER A 712 1.614 14.903 15.774 1.00 16.85 O ATOM 234 N SER A 713 3.578 14.831 13.302 1.00 10.73 N ATOM 235 CA SER A 713 3.640 15.298 11.919 1.00 10.08 C ATOM 236 C SER A 713 4.830 14.684 11.188 1.00 9.97 C ATOM 237 O SER A 713 4.675 14.197 10.068 1.00 8.41 O ATOM 238 CB SER A 713 3.664 16.834 11.829 1.00 10.98 C ATOM 239 OG SER A 713 4.952 17.381 12.074 1.00 11.48 O ATOM 240 N LEU A 714 6.003 14.699 11.825 1.00 9.59 N ATOM 241 CA LEU A 714 7.217 14.109 11.238 1.00 9.47 C ATOM 242 C LEU A 714 7.068 12.611 10.997 1.00 8.25 C ATOM 243 O LEU A 714 7.410 12.106 9.923 1.00 8.55 O ATOM 244 CB LEU A 714 8.442 14.341 12.130 1.00 9.70 C ATOM 245 CG LEU A 714 9.165 15.681 12.017 1.00 9.53 C ATOM 246 CD1 LEU A 714 10.275 15.736 13.062 1.00 9.50 C ATOM 247 CD2 LEU A 714 9.712 15.893 10.611 1.00 10.08 C ATOM 248 N LEU A 715 6.580 11.900 12.006 1.00 7.61 N ATOM 249 CA LEU A 715 6.422 10.461 11.903 1.00 8.29 C ATOM 250 C LEU A 715 5.431 10.112 10.797 1.00 6.62 C ATOM 251 O LEU A 715 5.659 9.183 10.040 1.00 5.57 O ATOM 252 CB LEU A 715 6.007 9.849 13.248 1.00 9.01 C ATOM 253 CG LEU A 715 7.117 9.743 14.310 1.00 10.25 C ATOM 254 CD1 LEU A 715 6.565 9.148 15.607 1.00 10.62 C ATOM 255 CD2 LEU A 715 8.297 8.925 13.838 1.00 9.84 C ATOM 256 N THR A 716 4.352 10.882 10.695 1.00 7.56 N ATOM 257 CA THR A 716 3.352 10.690 9.650 1.00 7.30 C ATOM 258 C THR A 716 3.911 10.970 8.251 1.00 6.79 C ATOM 259 O THR A 716 3.671 10.197 7.321 1.00 5.79 O ATOM 260 CB THR A 716 2.108 11.566 9.906 1.00 8.42 C ATOM 261 OG1 THR A 716 1.472 11.135 11.119 1.00 9.43 O ATOM 262 CG2 THR A 716 1.111 11.455 8.761 1.00 9.01 C ATOM 263 N SER A 717 4.654 12.062 8.097 1.00 6.50 N ATOM 264 CA SER A 717 5.304 12.334 6.813 1.00 8.06 C ATOM 265 C SER A 717 6.271 11.218 6.458 1.00 6.16 C ATOM 266 O SER A 717 6.334 10.813 5.308 1.00 6.86 O ATOM 267 CB SER A 717 6.025 13.688 6.796 1.00 8.28 C ATOM 268 OG SER A 717 5.095 14.725 6.559 1.00 11.06 O ATOM 269 N LEU A 718 7.010 10.717 7.446 1.00 5.62 N ATOM 270 CA LEU A 718 7.942 9.615 7.208 1.00 5.80 C ATOM 271 C LEU A 718 7.196 8.358 6.732 1.00 5.74 C ATOM 272 O LEU A 718 7.663 7.663 5.820 1.00 6.90 O ATOM 273 CB LEU A 718 8.802 9.315 8.452 1.00 4.00 C ATOM 274 CG LEU A 718 9.992 10.268 8.651 1.00 4.01 C ATOM 275 CD1 LEU A 718 10.604 10.089 10.032 1.00 2.79 C ATOM 276 CD2 LEU A 718 11.047 10.034 7.582 1.00 4.31 C ATOM 277 N ASN A 719 6.034 8.101 7.327 1.00 6.83 N ATOM 278 CA ASN A 719 5.190 6.967 6.937 1.00 7.03 C ATOM 279 C ASN A 719 4.598 7.140 5.546 1.00 6.15 C ATOM 280 O ASN A 719 4.497 6.177 4.788 1.00 4.65 O ATOM 281 CB ASN A 719 4.068 6.742 7.965 1.00 8.93 C ATOM 282 CG ASN A 719 4.585 6.224 9.315 1.00 9.84 C ATOM 283 OD1 ASN A 719 5.747 5.849 9.455 1.00 8.73 O ATOM 284 ND2 ASN A 719 3.698 6.182 10.305 1.00 10.73 N ATOM 285 N GLN A 720 4.198 8.361 5.213 1.00 6.11 N ATOM 286 CA GLN A 720 3.696 8.656 3.866 1.00 6.05 C ATOM 287 C GLN A 720 4.805 8.449 2.833 1.00 5.57 C ATOM 288 O GLN A 720 4.587 7.825 1.791 1.00 5.91 O ATOM 289 CB GLN A 720 3.139 10.084 3.793 1.00 7.16 C ATOM 290 CG GLN A 720 2.667 10.489 2.407 1.00 7.91 C ATOM 291 CD GLN A 720 1.715 11.670 2.417 1.00 9.95 C ATOM 292 OE1 GLN A 720 0.519 11.516 2.676 1.00 12.20 O ATOM 293 NE2 GLN A 720 2.236 12.857 2.116 1.00 10.97 N ATOM 294 N LEU A 721 5.995 8.962 3.133 1.00 5.44 N ATOM 295 CA LEU A 721 7.151 8.797 2.263 1.00 4.69 C ATOM 296 C LEU A 721 7.534 7.332 2.109 1.00 4.36 C ATOM 297 O LEU A 721 7.902 6.892 1.021 1.00 2.76 O ATOM 298 CB LEU A 721 8.345 9.575 2.828 1.00 4.38 C ATOM 299 CG LEU A 721 9.653 9.479 2.064 1.00 3.98 C ATOM 300 CD1 LEU A 721 9.495 10.058 0.682 1.00 4.30 C ATOM 301 CD2 LEU A 721 10.762 10.211 2.837 1.00 2.21 C ATOM 302 N GLY A 722 7.484 6.601 3.217 1.00 4.80 N ATOM 303 CA GLY A 722 7.737 5.167 3.222 1.00 6.46 C ATOM 304 C GLY A 722 6.822 4.402 2.290 1.00 5.99 C ATOM 305 O GLY A 722 7.274 3.531 1.547 1.00 6.08 O ATOM 306 N GLU A 723 5.537 4.739 2.319 1.00 5.23 N ATOM 307 CA GLU A 723 4.546 4.128 1.432 1.00 7.49 C ATOM 308 C GLU A 723 4.913 4.358 -0.036 1.00 7.37 C ATOM 309 O GLU A 723 4.941 3.422 -0.843 1.00 4.63 O ATOM 310 CB GLU A 723 3.164 4.740 1.722 1.00 10.39 C ATOM 311 CG GLU A 723 2.015 4.210 0.891 1.00 14.08 C ATOM 312 CD GLU A 723 1.568 2.836 1.331 1.00 17.92 C ATOM 313 OE1 GLU A 723 2.291 2.213 2.145 1.00 20.69 O ATOM 314 OE2 GLU A 723 0.494 2.377 0.870 1.00 19.77 O ATOM 315 N ARG A 724 5.191 5.619 -0.362 1.00 6.78 N ATOM 316 CA ARG A 724 5.636 6.008 -1.697 1.00 6.95 C ATOM 317 C ARG A 724 6.924 5.294 -2.105 1.00 6.64 C ATOM 318 O ARG A 724 7.020 4.785 -3.223 1.00 7.66 O ATOM 319 CB ARG A 724 5.797 7.527 -1.771 1.00 6.91 C ATOM 320 CG ARG A 724 4.453 8.265 -1.721 1.00 7.14 C ATOM 321 CD ARG A 724 4.607 9.770 -1.504 1.00 7.75 C ATOM 322 NE ARG A 724 3.294 10.414 -1.416 1.00 8.67 N ATOM 323 CZ ARG A 724 3.089 11.727 -1.329 1.00 9.23 C ATOM 324 NH1 ARG A 724 4.103 12.584 -1.329 1.00 9.82 N ATOM 325 NH2 ARG A 724 1.850 12.191 -1.262 1.00 8.40 N ATOM 326 N GLN A 725 7.907 5.233 -1.207 1.00 7.22 N ATOM 327 CA GLN A 725 9.144 4.520 -1.514 1.00 7.90 C ATOM 328 C GLN A 725 8.918 3.021 -1.699 1.00 7.91 C ATOM 329 O GLN A 725 9.590 2.406 -2.526 1.00 5.09 O ATOM 330 CB GLN A 725 10.222 4.784 -0.467 1.00 9.54 C ATOM 331 CG GLN A 725 10.803 6.176 -0.599 1.00 11.18 C ATOM 332 CD GLN A 725 11.907 6.441 0.376 1.00 14.16 C ATOM 333 OE1 GLN A 725 12.436 5.509 0.991 1.00 17.33 O ATOM 334 NE2 GLN A 725 12.264 7.720 0.546 1.00 13.30 N ATOM 335 N LEU A 726 7.970 2.447 -0.956 1.00 5.22 N ATOM 336 CA LEU A 726 7.645 1.030 -1.117 1.00 5.70 C ATOM 337 C LEU A 726 7.064 0.750 -2.502 1.00 4.39 C ATOM 338 O LEU A 726 7.447 -0.225 -3.147 1.00 4.06 O ATOM 339 CB LEU A 726 6.687 0.544 -0.018 1.00 5.69 C ATOM 340 CG LEU A 726 6.387 -0.957 0.028 1.00 6.42 C ATOM 341 CD1 LEU A 726 7.670 -1.768 0.166 1.00 7.32 C ATOM 342 CD2 LEU A 726 5.412 -1.278 1.162 1.00 7.54 C ATOM 343 N LEU A 727 6.133 1.591 -2.954 1.00 4.22 N ATOM 344 CA LEU A 727 5.560 1.433 -4.289 1.00 5.83 C ATOM 345 C LEU A 727 6.655 1.510 -5.359 1.00 6.11 C ATOM 346 O LEU A 727 6.646 0.776 -6.360 1.00 4.30 O ATOM 347 CB LEU A 727 4.490 2.498 -4.536 1.00 7.83 C ATOM 348 CG LEU A 727 3.252 2.390 -3.625 1.00 9.33 C ATOM 349 CD1 LEU A 727 2.329 3.603 -3.789 1.00 9.71 C ATOM 350 CD2 LEU A 727 2.484 1.093 -3.881 1.00 11.10 C ATOM 351 N SER A 728 7.609 2.399 -5.115 1.00 6.10 N ATOM 352 CA SER A 728 8.746 2.601 -5.974 1.00 7.87 C ATOM 353 C SER A 728 9.660 1.374 -6.007 1.00 6.99 C ATOM 354 O SER A 728 10.134 0.974 -7.085 1.00 6.97 O ATOM 355 CB SER A 728 9.534 3.809 -5.470 1.00 9.92 C ATOM 356 OG SER A 728 10.627 4.064 -6.294 1.00 14.17 O ATOM 357 N VAL A 729 9.925 0.796 -4.838 1.00 5.14 N ATOM 358 CA VAL A 729 10.673 -0.474 -4.745 1.00 5.12 C ATOM 359 C VAL A 729 9.952 -1.591 -5.514 1.00 4.62 C ATOM 360 O VAL A 729 10.593 -2.364 -6.244 1.00 4.14 O ATOM 361 CB VAL A 729 10.927 -0.887 -3.268 1.00 5.22 C ATOM 362 CG1 VAL A 729 11.516 -2.283 -3.161 1.00 4.20 C ATOM 363 CG2 VAL A 729 11.859 0.132 -2.593 1.00 6.23 C ATOM 364 N VAL A 730 8.626 -1.669 -5.385 1.00 4.41 N ATOM 365 CA VAL A 730 7.889 -2.705 -6.100 1.00 4.92 C ATOM 366 C VAL A 730 8.066 -2.521 -7.616 1.00 6.24 C ATOM 367 O VAL A 730 8.403 -3.477 -8.316 1.00 6.60 O ATOM 368 CB VAL A 730 6.418 -2.772 -5.672 1.00 6.84 C ATOM 369 CG1 VAL A 730 5.623 -3.695 -6.581 1.00 7.07 C ATOM 370 CG2 VAL A 730 6.328 -3.262 -4.232 1.00 5.99 C ATOM 371 N LYS A 731 7.917 -1.291 -8.105 1.00 5.78 N ATOM 372 CA LYS A 731 8.058 -0.997 -9.535 1.00 7.39 C ATOM 373 C LYS A 731 9.475 -1.315 -10.012 1.00 7.21 C ATOM 374 O LYS A 731 9.665 -1.992 -11.028 1.00 7.27 O ATOM 375 CB LYS A 731 7.690 0.469 -9.811 1.00 10.15 C ATOM 376 CG LYS A 731 7.939 0.969 -11.233 1.00 12.23 C ATOM 377 CD LYS A 731 7.072 0.272 -12.267 1.00 14.65 C ATOM 378 CE LYS A 731 7.121 1.015 -13.604 1.00 16.17 C ATOM 379 NZ LYS A 731 6.700 0.149 -14.739 1.00 18.16 N ATOM 380 N TRP A 732 10.466 -0.847 -9.259 1.00 5.90 N ATOM 381 CA TRP A 732 11.873 -1.150 -9.536 1.00 6.38 C ATOM 382 C TRP A 732 12.118 -2.671 -9.672 1.00 6.76 C ATOM 383 O TRP A 732 12.791 -3.138 -10.621 1.00 5.31 O ATOM 384 CB TRP A 732 12.734 -0.533 -8.427 1.00 6.57 C ATOM 385 CG TRP A 732 14.184 -0.943 -8.389 1.00 5.25 C ATOM 386 CD1 TRP A 732 15.180 -0.536 -9.223 1.00 5.71 C ATOM 387 CD2 TRP A 732 14.794 -1.807 -7.427 1.00 5.12 C ATOM 388 NE1 TRP A 732 16.376 -1.107 -8.851 1.00 6.32 N ATOM 389 CE2 TRP A 732 16.170 -1.897 -7.756 1.00 5.89 C ATOM 390 CE3 TRP A 732 14.315 -2.530 -6.337 1.00 4.75 C ATOM 391 CZ2 TRP A 732 17.068 -2.667 -7.023 1.00 4.44 C ATOM 392 CZ3 TRP A 732 15.214 -3.299 -5.599 1.00 5.32 C ATOM 393 CH2 TRP A 732 16.575 -3.355 -5.948 1.00 5.77 C ATOM 394 N SER A 733 11.523 -3.433 -8.754 1.00 4.08 N ATOM 395 CA SER A 733 11.722 -4.870 -8.679 1.00 4.52 C ATOM 396 C SER A 733 11.205 -5.544 -9.950 1.00 4.87 C ATOM 397 O SER A 733 11.785 -6.525 -10.421 1.00 4.77 O ATOM 398 CB SER A 733 11.065 -5.467 -7.412 1.00 3.94 C ATOM 399 OG SER A 733 9.653 -5.590 -7.540 1.00 3.34 O ATOM 400 N LYS A 734 10.134 -4.999 -10.514 1.00 5.23 N ATOM 401 CA LYS A 734 9.546 -5.534 -11.745 1.00 6.12 C ATOM 402 C LYS A 734 10.455 -5.383 -12.958 1.00 6.95 C ATOM 403 O LYS A 734 10.309 -6.136 -13.917 1.00 4.86 O ATOM 404 CB LYS A 734 8.199 -4.875 -12.027 1.00 8.88 C ATOM 405 CG LYS A 734 7.133 -5.254 -10.999 1.00 10.97 C ATOM 406 CD LYS A 734 5.857 -4.480 -11.220 1.00 13.37 C ATOM 407 CE LYS A 734 4.868 -4.757 -10.096 1.00 15.20 C ATOM 408 NZ LYS A 734 3.610 -3.984 -10.297 1.00 16.01 N ATOM 409 N SER A 735 11.377 -4.417 -12.896 1.00 6.74 N ATOM 410 CA SER A 735 12.337 -4.143 -13.972 1.00 8.01 C ATOM 411 C SER A 735 13.716 -4.739 -13.680 1.00 6.98 C ATOM 412 O SER A 735 14.577 -4.759 -14.554 1.00 7.93 O ATOM 413 CB SER A 735 12.472 -2.634 -14.182 1.00 8.01 C ATOM 414 OG SER A 735 11.234 -2.056 -14.567 1.00 8.42 O ATOM 415 N LEU A 736 13.915 -5.240 -12.466 1.00 6.21 N ATOM 416 CA LEU A 736 15.215 -5.765 -12.017 1.00 5.94 C ATOM 417 C LEU A 736 15.550 -7.144 -12.632 1.00 5.99 C ATOM 418 O LEU A 736 14.864 -8.133 -12.341 1.00 5.99 O ATOM 419 CB LEU A 736 15.227 -5.870 -10.482 1.00 6.94 C ATOM 420 CG LEU A 736 16.515 -6.373 -9.826 1.00 7.21 C ATOM 421 CD1 LEU A 736 17.707 -5.437 -10.133 1.00 6.90 C ATOM 422 CD2 LEU A 736 16.345 -6.550 -8.303 1.00 5.53 C ATOM 423 N PRO A 737 16.609 -7.220 -13.470 1.00 5.62 N ATOM 424 CA PRO A 737 16.872 -8.488 -14.165 1.00 6.62 C ATOM 425 C PRO A 737 16.971 -9.685 -13.207 1.00 7.32 C ATOM 426 O PRO A 737 17.704 -9.634 -12.210 1.00 6.20 O ATOM 427 CB PRO A 737 18.200 -8.224 -14.890 1.00 7.59 C ATOM 428 CG PRO A 737 18.210 -6.751 -15.114 1.00 6.13 C ATOM 429 CD PRO A 737 17.555 -6.167 -13.884 1.00 6.39 C ATOM 430 N GLY A 738 16.186 -10.723 -13.499 1.00 7.22 N ATOM 431 CA GLY A 738 16.169 -11.956 -12.722 1.00 7.39 C ATOM 432 C GLY A 738 14.998 -12.055 -11.765 1.00 7.83 C ATOM 433 O GLY A 738 14.482 -13.137 -11.523 1.00 9.42 O ATOM 434 N PHE A 739 14.561 -10.922 -11.224 1.00 7.43 N ATOM 435 CA PHE A 739 13.643 -10.949 -10.103 1.00 6.09 C ATOM 436 C PHE A 739 12.266 -11.485 -10.486 1.00 5.40 C ATOM 437 O PHE A 739 11.699 -12.314 -9.778 1.00 5.48 O ATOM 438 CB PHE A 739 13.515 -9.563 -9.485 1.00 5.20 C ATOM 439 CG PHE A 739 12.865 -9.565 -8.137 1.00 5.73 C ATOM 440 CD1 PHE A 739 13.534 -10.094 -7.040 1.00 7.65 C ATOM 441 CD2 PHE A 739 11.599 -9.011 -7.954 1.00 6.65 C ATOM 442 CE1 PHE A 739 12.954 -10.085 -5.778 1.00 8.16 C ATOM 443 CE2 PHE A 739 11.009 -8.991 -6.690 1.00 7.63 C ATOM 444 CZ PHE A 739 11.693 -9.538 -5.604 1.00 7.81 C ATOM 445 N ARG A 740 11.742 -11.017 -11.611 1.00 6.10 N ATOM 446 CA ARG A 740 10.415 -11.426 -12.085 1.00 4.78 C ATOM 447 C ARG A 740 10.277 -12.925 -12.374 1.00 4.96 C ATOM 448 O ARG A 740 9.157 -13.420 -12.524 1.00 5.81 O ATOM 449 CB ARG A 740 10.053 -10.662 -13.350 1.00 3.75 C ATOM 450 CG ARG A 740 10.999 -10.965 -14.524 1.00 3.47 C ATOM 451 CD ARG A 740 10.445 -10.406 -15.795 1.00 3.21 C ATOM 452 NE ARG A 740 11.337 -10.619 -16.922 1.00 2.29 N ATOM 453 CZ ARG A 740 11.021 -10.322 -18.174 1.00 3.39 C ATOM 454 NH1 ARG A 740 9.835 -9.813 -18.448 1.00 3.77 N ATOM 455 NH2 ARG A 740 11.878 -10.542 -19.155 1.00 3.65 N ATOM 456 N ASN A 741 11.410 -13.626 -12.465 1.00 4.81 N ATOM 457 CA ASN A 741 11.447 -15.045 -12.772 1.00 5.58 C ATOM 458 C ASN A 741 11.494 -15.924 -11.520 1.00 6.05 C ATOM 459 O ASN A 741 11.349 -17.140 -11.609 1.00 4.10 O ATOM 460 CB ASN A 741 12.623 -15.343 -13.707 1.00 6.87 C ATOM 461 CG ASN A 741 12.560 -14.531 -14.978 1.00 5.85 C ATOM 462 OD1 ASN A 741 11.504 -14.423 -15.599 1.00 7.22 O ATOM 463 ND2 ASN A 741 13.674 -13.946 -15.364 1.00 6.37 N ATOM 464 N LEU A 742 11.660 -15.303 -10.351 1.00 5.87 N ATOM 465 CA LEU A 742 11.419 -15.984 -9.084 1.00 5.69 C ATOM 466 C LEU A 742 9.909 -16.175 -8.916 1.00 6.14 C ATOM 467 O LEU A 742 9.120 -15.370 -9.405 1.00 4.91 O ATOM 468 CB LEU A 742 11.971 -15.164 -7.904 1.00 5.53 C ATOM 469 CG LEU A 742 13.450 -14.788 -7.964 1.00 5.04 C ATOM 470 CD1 LEU A 742 13.894 -13.939 -6.743 1.00 4.82 C ATOM 471 CD2 LEU A 742 14.312 -16.047 -8.116 1.00 4.85 C ATOM 472 N HIS A 743 9.511 -17.238 -8.223 1.00 7.04 N ATOM 473 CA HIS A 743 8.108 -17.440 -7.860 1.00 7.78 C ATOM 474 C HIS A 743 7.534 -16.160 -7.239 1.00 6.41 C ATOM 475 O HIS A 743 8.230 -15.468 -6.514 1.00 5.86 O ATOM 476 CB HIS A 743 7.993 -18.607 -6.876 1.00 9.11 C ATOM 477 CG HIS A 743 6.605 -19.139 -6.720 1.00 10.10 C ATOM 478 ND1 HIS A 743 5.662 -18.539 -5.913 1.00 10.63 N ATOM 479 CD2 HIS A 743 6.007 -20.235 -7.246 1.00 10.76 C ATOM 480 CE1 HIS A 743 4.539 -19.234 -5.962 1.00 10.98 C ATOM 481 NE2 HIS A 743 4.722 -20.266 -6.766 1.00 10.75 N ATOM 482 N ILE A 744 6.274 -15.845 -7.536 1.00 6.84 N ATOM 483 CA ILE A 744 5.654 -14.608 -7.046 1.00 8.46 C ATOM 484 C ILE A 744 5.667 -14.520 -5.511 1.00 8.51 C ATOM 485 O ILE A 744 5.845 -13.428 -4.956 1.00 8.45 O ATOM 486 CB ILE A 744 4.197 -14.415 -7.599 1.00 9.57 C ATOM 487 CG1 ILE A 744 3.541 -13.141 -7.042 1.00 11.22 C ATOM 488 CG2 ILE A 744 3.328 -15.616 -7.269 1.00 9.39 C ATOM 489 CD1 ILE A 744 4.347 -11.836 -7.236 1.00 12.65 C ATOM 490 N ASP A 745 5.478 -15.659 -4.843 1.00 7.76 N ATOM 491 CA ASP A 745 5.563 -15.736 -3.375 1.00 8.69 C ATOM 492 C ASP A 745 6.939 -15.302 -2.881 1.00 6.72 C ATOM 493 O ASP A 745 7.043 -14.602 -1.878 1.00 6.91 O ATOM 494 CB ASP A 745 5.322 -17.161 -2.868 1.00 10.18 C ATOM 495 CG ASP A 745 3.880 -17.623 -3.019 1.00 12.27 C ATOM 496 OD1 ASP A 745 2.987 -16.832 -3.383 1.00 14.47 O ATOM 497 OD2 ASP A 745 3.650 -18.811 -2.755 1.00 14.61 O ATOM 498 N ASP A 746 7.989 -15.754 -3.572 1.00 6.00 N ATOM 499 CA ASP A 746 9.366 -15.374 -3.236 1.00 4.92 C ATOM 500 C ASP A 746 9.598 -13.884 -3.437 1.00 3.90 C ATOM 501 O ASP A 746 10.270 -13.244 -2.640 1.00 4.41 O ATOM 502 CB ASP A 746 10.392 -16.155 -4.065 1.00 5.43 C ATOM 503 CG ASP A 746 10.359 -17.653 -3.800 1.00 6.27 C ATOM 504 OD1 ASP A 746 9.863 -18.083 -2.743 1.00 6.47 O ATOM 505 OD2 ASP A 746 10.857 -18.408 -4.650 1.00 5.86 O ATOM 506 N GLN A 747 9.050 -13.324 -4.512 1.00 4.76 N ATOM 507 CA GLN A 747 9.201 -11.899 -4.776 1.00 3.29 C ATOM 508 C GLN A 747 8.598 -11.106 -3.632 1.00 4.35 C ATOM 509 O GLN A 747 9.184 -10.129 -3.167 1.00 3.92 O ATOM 510 CB GLN A 747 8.526 -11.506 -6.093 1.00 3.78 C ATOM 511 CG GLN A 747 9.118 -12.181 -7.309 1.00 3.60 C ATOM 512 CD GLN A 747 8.413 -11.786 -8.585 1.00 4.80 C ATOM 513 OE1 GLN A 747 8.163 -10.607 -8.822 1.00 5.42 O ATOM 514 NE2 GLN A 747 8.080 -12.775 -9.415 1.00 4.90 N ATOM 515 N ILE A 748 7.427 -11.544 -3.170 1.00 4.89 N ATOM 516 CA ILE A 748 6.711 -10.841 -2.101 1.00 6.58 C ATOM 517 C ILE A 748 7.481 -10.948 -0.787 1.00 5.60 C ATOM 518 O ILE A 748 7.646 -9.963 -0.072 1.00 5.53 O ATOM 519 CB ILE A 748 5.278 -11.379 -1.954 1.00 6.56 C ATOM 520 CG1 ILE A 748 4.455 -10.979 -3.188 1.00 7.13 C ATOM 521 CG2 ILE A 748 4.624 -10.872 -0.643 1.00 7.12 C ATOM 522 CD1 ILE A 748 3.155 -11.788 -3.360 1.00 6.98 C ATOM 523 N THR A 749 7.953 -12.151 -0.480 1.00 4.75 N ATOM 524 CA THR A 749 8.726 -12.386 0.730 1.00 4.64 C ATOM 525 C THR A 749 9.984 -11.517 0.770 1.00 3.98 C ATOM 526 O THR A 749 10.256 -10.878 1.773 1.00 4.64 O ATOM 527 CB THR A 749 9.134 -13.871 0.846 1.00 5.75 C ATOM 528 OG1 THR A 749 7.958 -14.662 1.014 1.00 7.23 O ATOM 529 CG2 THR A 749 10.073 -14.103 2.018 1.00 7.39 C ATOM 530 N LEU A 750 10.745 -11.510 -0.323 1.00 2.69 N ATOM 531 CA LEU A 750 11.992 -10.774 -0.376 1.00 3.03 C ATOM 532 C LEU A 750 11.763 -9.274 -0.226 1.00 3.81 C ATOM 533 O LEU A 750 12.550 -8.598 0.441 1.00 4.17 O ATOM 534 CB LEU A 750 12.764 -11.069 -1.667 1.00 2.92 C ATOM 535 CG LEU A 750 13.298 -12.492 -1.829 1.00 2.58 C ATOM 536 CD1 LEU A 750 13.740 -12.704 -3.297 1.00 3.05 C ATOM 537 CD2 LEU A 750 14.445 -12.771 -0.862 1.00 3.53 C ATOM 538 N ILE A 751 10.692 -8.753 -0.825 1.00 3.44 N ATOM 539 CA ILE A 751 10.359 -7.339 -0.622 1.00 5.31 C ATOM 540 C ILE A 751 9.958 -7.086 0.841 1.00 6.20 C ATOM 541 O ILE A 751 10.403 -6.114 1.462 1.00 5.01 O ATOM 542 CB ILE A 751 9.272 -6.847 -1.605 1.00 5.84 C ATOM 543 CG1 ILE A 751 9.850 -6.777 -3.022 1.00 6.66 C ATOM 544 CG2 ILE A 751 8.769 -5.467 -1.201 1.00 6.96 C ATOM 545 CD1 ILE A 751 8.814 -6.722 -4.103 1.00 7.25 C ATOM 546 N GLN A 752 9.135 -7.970 1.394 1.00 5.26 N ATOM 547 CA GLN A 752 8.744 -7.856 2.804 1.00 7.68 C ATOM 548 C GLN A 752 9.922 -7.932 3.779 1.00 7.63 C ATOM 549 O GLN A 752 9.912 -7.263 4.812 1.00 6.71 O ATOM 550 CB GLN A 752 7.717 -8.927 3.151 1.00 8.81 C ATOM 551 CG GLN A 752 6.356 -8.649 2.557 1.00 11.23 C ATOM 552 CD GLN A 752 5.374 -9.788 2.754 1.00 11.42 C ATOM 553 OE1 GLN A 752 5.750 -10.902 3.128 1.00 11.80 O ATOM 554 NE2 GLN A 752 4.100 -9.508 2.504 1.00 13.09 N ATOM 555 N TYR A 753 10.925 -8.748 3.461 1.00 6.05 N ATOM 556 CA TYR A 753 12.102 -8.876 4.319 1.00 6.70 C ATOM 557 C TYR A 753 13.046 -7.681 4.223 1.00 8.08 C ATOM 558 O TYR A 753 13.623 -7.272 5.233 1.00 11.16 O ATOM 559 CB TYR A 753 12.890 -10.146 3.986 1.00 6.28 C ATOM 560 CG TYR A 753 12.287 -11.443 4.483 1.00 8.05 C ATOM 561 CD1 TYR A 753 11.065 -11.478 5.148 1.00 7.22 C ATOM 562 CD2 TYR A 753 12.937 -12.656 4.258 1.00 9.23 C ATOM 563 CE1 TYR A 753 10.533 -12.671 5.598 1.00 8.58 C ATOM 564 CE2 TYR A 753 12.395 -13.854 4.703 1.00 8.76 C ATOM 565 CZ TYR A 753 11.203 -13.855 5.368 1.00 8.41 C ATOM 566 OH TYR A 753 10.660 -15.043 5.807 1.00 9.96 O ATOM 567 N SER A 754 13.168 -7.113 3.026 1.00 7.11 N ATOM 568 CA SER A 754 14.260 -6.194 2.696 1.00 6.63 C ATOM 569 C SER A 754 13.895 -4.705 2.639 1.00 5.36 C ATOM 570 O SER A 754 14.782 -3.881 2.508 1.00 3.97 O ATOM 571 CB SER A 754 14.868 -6.601 1.337 1.00 7.76 C ATOM 572 OG SER A 754 13.938 -6.379 0.292 1.00 8.16 O ATOM 573 N TRP A 755 12.617 -4.337 2.726 1.00 4.35 N ATOM 574 CA TRP A 755 12.260 -2.940 2.443 1.00 4.55 C ATOM 575 C TRP A 755 12.956 -1.935 3.364 1.00 4.76 C ATOM 576 O TRP A 755 13.363 -0.868 2.911 1.00 3.43 O ATOM 577 CB TRP A 755 10.741 -2.706 2.419 1.00 6.54 C ATOM 578 CG TRP A 755 10.053 -2.970 3.712 1.00 7.18 C ATOM 579 CD1 TRP A 755 9.429 -4.121 4.073 1.00 7.93 C ATOM 580 CD2 TRP A 755 9.919 -2.073 4.819 1.00 8.14 C ATOM 581 NE1 TRP A 755 8.917 -4.001 5.331 1.00 8.59 N ATOM 582 CE2 TRP A 755 9.201 -2.753 5.814 1.00 8.60 C ATOM 583 CE3 TRP A 755 10.328 -0.750 5.061 1.00 8.78 C ATOM 584 CZ2 TRP A 755 8.879 -2.167 7.038 1.00 9.22 C ATOM 585 CZ3 TRP A 755 10.021 -0.176 6.269 1.00 8.36 C ATOM 586 CH2 TRP A 755 9.297 -0.884 7.249 1.00 9.05 C ATOM 587 N MET A 756 13.136 -2.280 4.636 1.00 4.70 N ATOM 588 CA MET A 756 13.761 -1.363 5.579 1.00 5.50 C ATOM 589 C MET A 756 15.212 -1.125 5.187 1.00 6.03 C ATOM 590 O MET A 756 15.688 0.021 5.172 1.00 6.49 O ATOM 591 CB MET A 756 13.678 -1.897 7.019 1.00 6.27 C ATOM 592 CG MET A 756 14.222 -0.920 8.065 1.00 6.94 C ATOM 593 SD MET A 756 13.156 0.517 8.258 1.00 8.76 S ATOM 594 CE MET A 756 11.863 -0.205 9.259 1.00 4.64 C ATOM 595 N SER A 757 15.910 -2.208 4.876 1.00 6.11 N ATOM 596 CA ASER A 757 17.298 -2.127 4.429 0.50 6.73 C ATOM 597 CA BSER A 757 17.301 -2.125 4.439 0.50 6.70 C ATOM 598 C SER A 757 17.420 -1.275 3.180 1.00 5.48 C ATOM 599 O SER A 757 18.293 -0.423 3.093 1.00 6.30 O ATOM 600 CB ASER A 757 17.850 -3.525 4.148 0.50 7.36 C ATOM 601 CB BSER A 757 17.876 -3.526 4.186 0.50 7.31 C ATOM 602 OG ASER A 757 17.912 -4.270 5.343 0.50 8.05 O ATOM 603 OG BSER A 757 17.232 -4.155 3.095 0.50 7.89 O ATOM 604 N LEU A 758 16.535 -1.507 2.208 1.00 5.99 N ATOM 605 CA LEU A 758 16.590 -0.769 0.948 1.00 6.09 C ATOM 606 C LEU A 758 16.326 0.718 1.189 1.00 5.71 C ATOM 607 O LEU A 758 16.972 1.570 0.583 1.00 3.97 O ATOM 608 CB LEU A 758 15.595 -1.329 -0.075 1.00 5.87 C ATOM 609 CG LEU A 758 15.786 -2.773 -0.533 1.00 5.12 C ATOM 610 CD1 LEU A 758 14.556 -3.251 -1.328 1.00 5.94 C ATOM 611 CD2 LEU A 758 17.063 -2.914 -1.362 1.00 6.15 C ATOM 612 N MET A 759 15.394 1.031 2.094 1.00 6.33 N ATOM 613 CA MET A 759 15.061 2.435 2.359 1.00 7.04 C ATOM 614 C MET A 759 16.155 3.177 3.112 1.00 5.79 C ATOM 615 O MET A 759 16.467 4.314 2.769 1.00 6.90 O ATOM 616 CB MET A 759 13.737 2.566 3.082 1.00 6.39 C ATOM 617 CG MET A 759 12.565 2.207 2.219 1.00 8.18 C ATOM 618 SD MET A 759 11.022 2.497 3.069 1.00 9.75 S ATOM 619 CE MET A 759 9.897 1.545 2.040 1.00 8.67 C ATOM 620 N VAL A 760 16.759 2.544 4.112 1.00 7.72 N ATOM 621 CA VAL A 760 17.830 3.207 4.873 1.00 7.59 C ATOM 622 C VAL A 760 19.095 3.348 4.024 1.00 6.25 C ATOM 623 O VAL A 760 19.798 4.348 4.125 1.00 5.69 O ATOM 624 CB VAL A 760 18.133 2.520 6.244 1.00 9.26 C ATOM 625 CG1 VAL A 760 19.001 1.274 6.081 1.00 9.16 C ATOM 626 CG2 VAL A 760 18.807 3.522 7.205 1.00 11.03 C ATOM 627 N PHE A 761 19.370 2.353 3.187 1.00 6.98 N ATOM 628 CA PHE A 761 20.491 2.409 2.241 1.00 6.12 C ATOM 629 C PHE A 761 20.280 3.536 1.236 1.00 5.36 C ATOM 630 O PHE A 761 21.182 4.323 0.982 1.00 7.04 O ATOM 631 CB PHE A 761 20.612 1.067 1.509 1.00 7.75 C ATOM 632 CG PHE A 761 21.976 0.767 0.962 1.00 7.61 C ATOM 633 CD1 PHE A 761 23.055 0.564 1.815 1.00 6.12 C ATOM 634 CD2 PHE A 761 22.159 0.579 -0.400 1.00 7.78 C ATOM 635 CE1 PHE A 761 24.302 0.225 1.297 1.00 7.15 C ATOM 636 CE2 PHE A 761 23.403 0.253 -0.921 1.00 7.32 C ATOM 637 CZ PHE A 761 24.467 0.070 -0.082 1.00 6.93 C ATOM 638 N GLY A 762 19.083 3.614 0.664 1.00 5.36 N ATOM 639 CA GLY A 762 18.726 4.727 -0.213 1.00 4.56 C ATOM 640 C GLY A 762 18.903 6.063 0.483 1.00 5.43 C ATOM 641 O GLY A 762 19.484 6.991 -0.083 1.00 6.63 O ATOM 642 N LEU A 763 18.376 6.165 1.705 1.00 4.78 N ATOM 643 CA LEU A 763 18.528 7.371 2.525 1.00 4.72 C ATOM 644 C LEU A 763 19.995 7.773 2.671 1.00 5.54 C ATOM 645 O LEU A 763 20.341 8.947 2.527 1.00 6.23 O ATOM 646 CB LEU A 763 17.907 7.163 3.913 1.00 4.05 C ATOM 647 CG LEU A 763 18.160 8.248 4.973 1.00 3.11 C ATOM 648 CD1 LEU A 763 17.505 9.562 4.572 1.00 3.52 C ATOM 649 CD2 LEU A 763 17.655 7.784 6.322 1.00 2.63 C ATOM 650 N GLY A 764 20.849 6.793 2.961 1.00 5.53 N ATOM 651 CA GLY A 764 22.276 7.030 3.022 1.00 6.27 C ATOM 652 C GLY A 764 22.832 7.568 1.714 1.00 6.19 C ATOM 653 O GLY A 764 23.645 8.494 1.709 1.00 5.48 O ATOM 654 N TRP A 765 22.396 6.993 0.599 1.00 5.76 N ATOM 655 CA TRP A 765 22.924 7.407 -0.704 1.00 7.39 C ATOM 656 C TRP A 765 22.562 8.856 -1.023 1.00 5.80 C ATOM 657 O TRP A 765 23.419 9.643 -1.407 1.00 7.74 O ATOM 658 CB TRP A 765 22.421 6.488 -1.816 1.00 7.71 C ATOM 659 CG TRP A 765 23.022 6.812 -3.127 1.00 8.82 C ATOM 660 CD1 TRP A 765 22.401 7.382 -4.192 1.00 8.79 C ATOM 661 CD2 TRP A 765 24.385 6.620 -3.509 1.00 9.76 C ATOM 662 NE1 TRP A 765 23.282 7.534 -5.225 1.00 9.40 N ATOM 663 CE2 TRP A 765 24.514 7.083 -4.827 1.00 10.57 C ATOM 664 CE3 TRP A 765 25.510 6.102 -2.861 1.00 11.15 C ATOM 665 CZ2 TRP A 765 25.723 7.043 -5.517 1.00 11.77 C ATOM 666 CZ3 TRP A 765 26.709 6.063 -3.544 1.00 11.83 C ATOM 667 CH2 TRP A 765 26.809 6.529 -4.857 1.00 11.90 C ATOM 668 N ARG A 766 21.292 9.197 -0.849 1.00 5.65 N ATOM 669 CA ARG A 766 20.809 10.548 -1.128 1.00 5.52 C ATOM 670 C ARG A 766 21.488 11.575 -0.234 1.00 4.06 C ATOM 671 O ARG A 766 21.790 12.681 -0.678 1.00 5.16 O ATOM 672 CB ARG A 766 19.292 10.634 -0.936 1.00 5.60 C ATOM 673 CG ARG A 766 18.475 9.825 -1.926 1.00 6.47 C ATOM 674 CD ARG A 766 16.992 10.149 -1.792 1.00 6.18 C ATOM 675 NE ARG A 766 16.481 9.820 -0.462 1.00 5.79 N ATOM 676 CZ ARG A 766 16.023 8.620 -0.096 1.00 8.06 C ATOM 677 NH1 ARG A 766 15.992 7.611 -0.949 1.00 8.46 N ATOM 678 NH2 ARG A 766 15.584 8.427 1.138 1.00 8.51 N ATOM 679 N SER A 767 21.719 11.211 1.024 1.00 4.16 N ATOM 680 CA SER A 767 22.340 12.124 1.983 1.00 4.50 C ATOM 681 C SER A 767 23.792 12.374 1.562 1.00 4.98 C ATOM 682 O SER A 767 24.267 13.510 1.554 1.00 3.26 O ATOM 683 CB SER A 767 22.299 11.555 3.398 1.00 4.78 C ATOM 684 OG SER A 767 20.973 11.229 3.820 1.00 3.77 O ATOM 685 N TYR A 768 24.474 11.290 1.204 1.00 6.15 N ATOM 686 CA TYR A 768 25.855 11.341 0.713 1.00 6.44 C ATOM 687 C TYR A 768 25.962 12.221 -0.546 1.00 6.68 C ATOM 688 O TYR A 768 26.801 13.120 -0.630 1.00 4.96 O ATOM 689 CB TYR A 768 26.308 9.903 0.449 1.00 8.24 C ATOM 690 CG TYR A 768 27.661 9.717 -0.196 1.00 9.55 C ATOM 691 CD1 TYR A 768 28.776 10.440 0.232 1.00 11.21 C ATOM 692 CD2 TYR A 768 27.837 8.776 -1.201 1.00 11.17 C ATOM 693 CE1 TYR A 768 30.021 10.246 -0.349 1.00 11.93 C ATOM 694 CE2 TYR A 768 29.072 8.576 -1.781 1.00 12.91 C ATOM 695 CZ TYR A 768 30.157 9.309 -1.358 1.00 13.12 C ATOM 696 OH TYR A 768 31.378 9.100 -1.954 1.00 15.81 O ATOM 697 N LYS A 769 25.071 11.988 -1.502 1.00 7.61 N ATOM 698 CA LYS A 769 25.164 12.631 -2.817 1.00 8.73 C ATOM 699 C LYS A 769 24.672 14.085 -2.853 1.00 7.65 C ATOM 700 O LYS A 769 25.242 14.896 -3.571 1.00 6.38 O ATOM 701 CB LYS A 769 24.396 11.815 -3.862 1.00 11.56 C ATOM 702 CG LYS A 769 25.055 10.486 -4.241 1.00 14.47 C ATOM 703 CD LYS A 769 26.276 10.676 -5.167 1.00 16.13 C ATOM 704 CE LYS A 769 27.613 10.513 -4.442 1.00 17.06 C ATOM 705 NZ LYS A 769 28.767 10.516 -5.403 1.00 17.35 N ATOM 706 N HIS A 770 23.606 14.404 -2.118 1.00 5.72 N ATOM 707 CA HIS A 770 23.000 15.748 -2.175 1.00 7.07 C ATOM 708 C HIS A 770 23.486 16.729 -1.100 1.00 6.45 C ATOM 709 O HIS A 770 23.588 17.946 -1.354 1.00 6.00 O ATOM 710 CB HIS A 770 21.474 15.647 -2.116 1.00 8.41 C ATOM 711 CG HIS A 770 20.878 14.871 -3.247 1.00 10.96 C ATOM 712 ND1 HIS A 770 20.989 15.269 -4.562 1.00 12.19 N ATOM 713 CD2 HIS A 770 20.172 13.714 -3.262 1.00 12.14 C ATOM 714 CE1 HIS A 770 20.372 14.392 -5.338 1.00 12.50 C ATOM 715 NE2 HIS A 770 19.870 13.439 -4.575 1.00 12.61 N ATOM 716 N VAL A 771 23.774 16.225 0.098 1.00 5.68 N ATOM 717 CA VAL A 771 24.163 17.102 1.211 1.00 5.29 C ATOM 718 C VAL A 771 25.478 16.661 1.878 1.00 5.51 C ATOM 719 O VAL A 771 25.689 16.900 3.061 1.00 6.12 O ATOM 720 CB VAL A 771 23.007 17.265 2.256 1.00 5.56 C ATOM 721 CG1 VAL A 771 21.907 18.181 1.701 1.00 5.42 C ATOM 722 CG2 VAL A 771 22.445 15.923 2.670 1.00 4.48 C ATOM 723 N SER A 772 26.367 16.044 1.096 1.00 5.85 N ATOM 724 CA SER A 772 27.708 15.653 1.552 1.00 5.72 C ATOM 725 C SER A 772 27.682 14.731 2.775 1.00 4.33 C ATOM 726 O SER A 772 28.634 14.690 3.551 1.00 4.07 O ATOM 727 CB SER A 772 28.558 16.899 1.859 1.00 7.07 C ATOM 728 OG SER A 772 28.715 17.713 0.712 1.00 7.89 O ATOM 729 N GLY A 773 26.590 13.998 2.947 1.00 4.32 N ATOM 730 CA GLY A 773 26.421 13.118 4.096 1.00 4.73 C ATOM 731 C GLY A 773 26.097 13.791 5.418 1.00 4.99 C ATOM 732 O GLY A 773 25.978 13.102 6.432 1.00 5.43 O ATOM 733 N GLN A 774 25.915 15.118 5.426 1.00 3.64 N ATOM 734 CA GLN A 774 25.866 15.881 6.681 1.00 3.25 C ATOM 735 C GLN A 774 24.456 16.325 7.094 1.00 3.67 C ATOM 736 O GLN A 774 24.288 17.110 8.021 1.00 2.00 O ATOM 737 CB GLN A 774 26.827 17.090 6.604 1.00 3.79 C ATOM 738 CG GLN A 774 28.277 16.689 6.355 1.00 3.64 C ATOM 739 CD GLN A 774 28.666 15.448 7.158 1.00 4.07 C ATOM 740 OE1 GLN A 774 28.598 15.447 8.396 1.00 2.63 O ATOM 741 NE2 GLN A 774 29.046 14.381 6.458 1.00 3.50 N ATOM 742 N MET A 775 23.460 15.810 6.381 1.00 3.90 N ATOM 743 CA MET A 775 22.067 15.923 6.758 1.00 5.03 C ATOM 744 C MET A 775 21.427 14.586 6.392 1.00 4.06 C ATOM 745 O MET A 775 21.986 13.839 5.589 1.00 2.87 O ATOM 746 CB MET A 775 21.375 17.050 5.973 1.00 5.57 C ATOM 747 CG MET A 775 21.987 18.434 6.113 1.00 6.53 C ATOM 748 SD MET A 775 20.997 19.655 5.201 1.00 7.84 S ATOM 749 CE MET A 775 22.234 20.885 4.760 1.00 9.28 C ATOM 750 N LEU A 776 20.261 14.288 6.961 1.00 3.18 N ATOM 751 CA LEU A 776 19.468 13.133 6.502 1.00 4.22 C ATOM 752 C LEU A 776 18.500 13.590 5.417 1.00 4.17 C ATOM 753 O LEU A 776 17.555 14.342 5.695 1.00 3.47 O ATOM 754 CB LEU A 776 18.706 12.473 7.654 1.00 4.79 C ATOM 755 CG LEU A 776 19.585 11.716 8.656 1.00 5.54 C ATOM 756 CD1 LEU A 776 18.762 11.240 9.838 1.00 4.91 C ATOM 757 CD2 LEU A 776 20.315 10.544 7.988 1.00 6.12 C ATOM 758 N TYR A 777 18.754 13.133 4.188 1.00 3.82 N ATOM 759 CA TYR A 777 18.016 13.549 3.005 1.00 4.62 C ATOM 760 C TYR A 777 16.935 12.496 2.728 1.00 4.47 C ATOM 761 O TYR A 777 17.088 11.657 1.855 1.00 5.00 O ATOM 762 CB TYR A 777 18.990 13.715 1.819 1.00 5.73 C ATOM 763 CG TYR A 777 18.453 14.508 0.637 1.00 7.02 C ATOM 764 CD1 TYR A 777 17.549 13.939 -0.256 1.00 8.31 C ATOM 765 CD2 TYR A 777 18.848 15.823 0.414 1.00 8.89 C ATOM 766 CE1 TYR A 777 17.049 14.648 -1.337 1.00 9.03 C ATOM 767 CE2 TYR A 777 18.349 16.549 -0.674 1.00 9.35 C ATOM 768 CZ TYR A 777 17.454 15.946 -1.545 1.00 9.34 C ATOM 769 OH TYR A 777 16.947 16.628 -2.622 1.00 10.69 O ATOM 770 N PHE A 778 15.859 12.521 3.519 1.00 4.03 N ATOM 771 CA PHE A 778 14.730 11.589 3.324 1.00 4.36 C ATOM 772 C PHE A 778 14.071 11.837 1.977 1.00 4.96 C ATOM 773 O PHE A 778 13.800 10.900 1.213 1.00 5.35 O ATOM 774 CB PHE A 778 13.696 11.741 4.444 1.00 4.19 C ATOM 775 CG PHE A 778 14.175 11.247 5.773 1.00 4.97 C ATOM 776 CD1 PHE A 778 14.150 9.896 6.063 1.00 5.51 C ATOM 777 CD2 PHE A 778 14.649 12.128 6.739 1.00 6.36 C ATOM 778 CE1 PHE A 778 14.591 9.424 7.289 1.00 6.19 C ATOM 779 CE2 PHE A 778 15.100 11.655 7.975 1.00 6.43 C ATOM 780 CZ PHE A 778 15.069 10.301 8.242 1.00 6.29 C ATOM 781 N ALA A 779 13.821 13.111 1.700 1.00 5.12 N ATOM 782 CA ALA A 779 13.295 13.573 0.418 1.00 5.61 C ATOM 783 C ALA A 779 13.699 15.035 0.238 1.00 6.67 C ATOM 784 O ALA A 779 14.189 15.656 1.195 1.00 6.82 O ATOM 785 CB ALA A 779 11.764 13.441 0.392 1.00 5.01 C ATOM 786 N PRO A 780 13.478 15.602 -0.967 1.00 6.43 N ATOM 787 CA PRO A 780 13.814 17.008 -1.182 1.00 6.73 C ATOM 788 C PRO A 780 13.015 17.973 -0.289 1.00 6.10 C ATOM 789 O PRO A 780 13.494 19.070 0.014 1.00 4.56 O ATOM 790 CB PRO A 780 13.484 17.239 -2.669 1.00 7.40 C ATOM 791 CG PRO A 780 13.344 15.883 -3.272 1.00 7.49 C ATOM 792 CD PRO A 780 12.930 14.969 -2.180 1.00 7.01 C ATOM 793 N ASP A 781 11.819 17.547 0.123 1.00 5.61 N ATOM 794 CA ASP A 781 10.944 18.316 1.018 1.00 6.11 C ATOM 795 C ASP A 781 10.949 17.781 2.462 1.00 5.99 C ATOM 796 O ASP A 781 10.120 18.184 3.291 1.00 5.92 O ATOM 797 CB ASP A 781 9.512 18.324 0.459 1.00 6.38 C ATOM 798 CG ASP A 781 8.901 16.925 0.378 1.00 7.16 C ATOM 799 OD1 ASP A 781 9.663 15.925 0.322 1.00 5.86 O ATOM 800 OD2 ASP A 781 7.653 16.826 0.361 1.00 7.64 O ATOM 801 N LEU A 782 11.860 16.857 2.756 1.00 4.99 N ATOM 802 CA LEU A 782 12.047 16.372 4.123 1.00 4.97 C ATOM 803 C LEU A 782 13.539 16.090 4.341 1.00 5.57 C ATOM 804 O LEU A 782 14.023 14.969 4.136 1.00 5.61 O ATOM 805 CB LEU A 782 11.167 15.137 4.394 1.00 3.87 C ATOM 806 CG LEU A 782 11.070 14.647 5.849 1.00 3.52 C ATOM 807 CD1 LEU A 782 10.458 15.714 6.773 1.00 3.33 C ATOM 808 CD2 LEU A 782 10.285 13.363 5.935 1.00 3.62 C ATOM 809 N ILE A 783 14.259 17.146 4.707 1.00 6.12 N ATOM 810 CA ILE A 783 15.701 17.105 4.946 1.00 7.35 C ATOM 811 C ILE A 783 15.933 17.500 6.400 1.00 6.62 C ATOM 812 O ILE A 783 15.548 18.588 6.807 1.00 6.09 O ATOM 813 CB ILE A 783 16.458 18.121 4.036 1.00 8.76 C ATOM 814 CG1 ILE A 783 16.256 17.795 2.554 1.00 8.24 C ATOM 815 CG2 ILE A 783 17.954 18.158 4.373 1.00 8.76 C ATOM 816 CD1 ILE A 783 16.868 18.859 1.594 1.00 9.02 C ATOM 817 N LEU A 784 16.548 16.621 7.179 1.00 6.42 N ATOM 818 CA LEU A 784 16.850 16.914 8.576 1.00 6.62 C ATOM 819 C LEU A 784 18.346 17.146 8.763 1.00 5.58 C ATOM 820 O LEU A 784 19.129 16.197 8.708 1.00 5.15 O ATOM 821 CB LEU A 784 16.416 15.768 9.494 1.00 7.22 C ATOM 822 CG LEU A 784 14.998 15.189 9.413 1.00 9.30 C ATOM 823 CD1 LEU A 784 14.632 14.586 10.771 1.00 8.96 C ATOM 824 CD2 LEU A 784 13.960 16.208 8.987 1.00 9.08 C ATOM 825 N ASN A 785 18.742 18.403 8.970 1.00 5.50 N ATOM 826 CA ASN A 785 20.093 18.698 9.468 1.00 4.66 C ATOM 827 C ASN A 785 20.167 18.302 10.941 1.00 3.96 C ATOM 828 O ASN A 785 19.155 17.939 11.536 1.00 3.04 O ATOM 829 CB ASN A 785 20.499 20.161 9.245 1.00 4.52 C ATOM 830 CG ASN A 785 19.581 21.156 9.935 1.00 3.49 C ATOM 831 OD1 ASN A 785 18.924 20.852 10.938 1.00 4.26 O ATOM 832 ND2 ASN A 785 19.546 22.369 9.402 1.00 2.73 N ATOM 833 N GLU A 786 21.348 18.370 11.537 1.00 4.27 N ATOM 834 CA GLU A 786 21.499 17.846 12.890 1.00 4.81 C ATOM 835 C GLU A 786 20.618 18.562 13.912 1.00 5.83 C ATOM 836 O GLU A 786 20.051 17.924 14.789 1.00 3.48 O ATOM 837 CB GLU A 786 22.951 17.844 13.358 1.00 4.45 C ATOM 838 CG GLU A 786 23.125 16.876 14.509 1.00 5.50 C ATOM 839 CD GLU A 786 24.518 16.785 15.068 1.00 5.08 C ATOM 840 OE1 GLU A 786 25.457 17.368 14.499 1.00 5.75 O ATOM 841 OE2 GLU A 786 24.659 16.098 16.097 1.00 6.13 O ATOM 842 N GLN A 787 20.507 19.883 13.800 1.00 7.46 N ATOM 843 CA GLN A 787 19.657 20.655 14.704 1.00 7.60 C ATOM 844 C GLN A 787 18.185 20.197 14.658 1.00 7.19 C ATOM 845 O GLN A 787 17.513 20.121 15.695 1.00 4.95 O ATOM 846 CB GLN A 787 19.758 22.146 14.372 1.00 9.96 C ATOM 847 CG GLN A 787 18.994 23.059 15.315 1.00 11.68 C ATOM 848 CD GLN A 787 19.473 22.952 16.753 1.00 14.00 C ATOM 849 OE1 GLN A 787 20.652 22.691 17.014 1.00 15.95 O ATOM 850 NE2 GLN A 787 18.560 23.157 17.696 1.00 14.88 N ATOM 851 N ARG A 788 17.699 19.893 13.457 1.00 6.61 N ATOM 852 CA ARG A 788 16.337 19.402 13.271 1.00 7.14 C ATOM 853 C ARG A 788 16.204 17.994 13.853 1.00 7.46 C ATOM 854 O ARG A 788 15.172 17.660 14.460 1.00 6.14 O ATOM 855 CB ARG A 788 15.953 19.410 11.791 1.00 8.07 C ATOM 856 CG ARG A 788 14.460 19.273 11.538 1.00 9.58 C ATOM 857 CD ARG A 788 14.097 19.475 10.070 1.00 10.77 C ATOM 858 NE ARG A 788 12.650 19.372 9.859 1.00 12.26 N ATOM 859 CZ ARG A 788 12.053 19.294 8.669 1.00 13.68 C ATOM 860 NH1 ARG A 788 12.753 19.308 7.542 1.00 14.89 N ATOM 861 NH2 ARG A 788 10.730 19.208 8.603 1.00 14.79 N ATOM 862 N MET A 789 17.251 17.183 13.668 1.00 5.92 N ATOM 863 CA MET A 789 17.342 15.868 14.295 1.00 6.83 C ATOM 864 C MET A 789 17.221 15.995 15.806 1.00 7.15 C ATOM 865 O MET A 789 16.421 15.299 16.421 1.00 6.84 O ATOM 866 CB MET A 789 18.672 15.174 13.974 1.00 6.32 C ATOM 867 CG MET A 789 18.882 14.771 12.516 1.00 6.92 C ATOM 868 SD MET A 789 20.504 14.001 12.345 1.00 7.25 S ATOM 869 CE MET A 789 20.966 14.470 10.669 1.00 8.49 C ATOM 870 N LYS A 790 18.025 16.884 16.390 1.00 7.38 N ATOM 871 CA LYS A 790 18.041 17.093 17.836 1.00 9.47 C ATOM 872 C LYS A 790 16.666 17.474 18.402 1.00 8.53 C ATOM 873 O LYS A 790 16.316 17.059 19.504 1.00 9.84 O ATOM 874 CB LYS A 790 19.072 18.166 18.215 1.00 11.45 C ATOM 875 CG LYS A 790 20.527 17.688 18.172 1.00 13.64 C ATOM 876 CD LYS A 790 21.520 18.762 18.642 1.00 15.35 C ATOM 877 CE LYS A 790 22.973 18.333 18.379 1.00 16.34 C ATOM 878 NZ LYS A 790 23.955 19.467 18.348 1.00 17.12 N ATOM 879 N AGLU A 791 15.871 18.187 17.602 0.50 7.70 N ATOM 880 N BGLU A 791 15.946 18.328 17.680 0.50 8.06 N ATOM 881 CA AGLU A 791 14.508 18.596 17.966 0.50 7.98 C ATOM 882 CA BGLU A 791 14.692 18.897 18.164 0.50 8.59 C ATOM 883 C AGLU A 791 13.411 17.623 17.489 0.50 7.63 C ATOM 884 C BGLU A 791 13.545 17.899 18.028 0.50 8.58 C ATOM 885 O AGLU A 791 12.221 17.876 17.699 0.50 7.54 O ATOM 886 O BGLU A 791 12.489 18.068 18.635 0.50 8.75 O ATOM 887 CB AGLU A 791 14.232 19.988 17.388 0.50 7.76 C ATOM 888 CB BGLU A 791 14.380 20.204 17.422 0.50 8.51 C ATOM 889 CG AGLU A 791 15.213 21.047 17.869 0.50 8.46 C ATOM 890 CG BGLU A 791 15.256 21.373 17.883 0.50 9.24 C ATOM 891 CD AGLU A 791 15.194 22.316 17.030 0.50 8.69 C ATOM 892 CD BGLU A 791 15.080 22.642 17.059 0.50 9.42 C ATOM 893 OE1AGLU A 791 14.598 22.309 15.929 0.50 8.51 O ATOM 894 OE1BGLU A 791 14.111 22.740 16.276 0.50 9.32 O ATOM 895 OE2AGLU A 791 15.789 23.320 17.476 0.50 8.21 O ATOM 896 OE2BGLU A 791 15.925 23.550 17.200 0.50 9.25 O ATOM 897 N ASER A 792 13.801 16.516 16.862 0.50 7.34 N ATOM 898 N BSER A 792 13.763 16.850 17.242 0.50 8.15 N ATOM 899 CA ASER A 792 12.834 15.607 16.226 0.50 7.41 C ATOM 900 CA BSER A 792 12.754 15.814 17.074 0.50 8.50 C ATOM 901 C ASER A 792 11.976 14.822 17.225 0.50 8.01 C ATOM 902 C BSER A 792 12.645 14.968 18.337 0.50 8.51 C ATOM 903 O ASER A 792 10.812 14.514 16.953 0.50 7.35 O ATOM 904 O BSER A 792 13.340 15.213 19.324 0.50 8.42 O ATOM 905 CB ASER A 792 13.561 14.618 15.312 0.50 7.66 C ATOM 906 CB BSER A 792 13.098 14.916 15.889 0.50 7.97 C ATOM 907 OG ASER A 792 14.260 13.645 16.068 0.50 7.01 O ATOM 908 OG BSER A 792 14.054 13.937 16.256 0.50 7.58 O ATOM 909 N ASER A 793 12.564 14.496 18.371 0.50 8.84 N ATOM 910 N BSER A 793 11.772 13.966 18.292 0.50 8.98 N ATOM 911 CA ASER A 793 11.927 13.626 19.359 0.50 9.60 C ATOM 912 CA BSER A 793 11.585 13.057 19.419 0.50 9.06 C ATOM 913 C ASER A 793 12.490 12.213 19.227 0.50 9.96 C ATOM 914 C BSER A 793 12.273 11.730 19.138 0.50 9.83 C ATOM 915 O ASER A 793 12.330 11.387 20.129 0.50 10.10 O ATOM 916 O BSER A 793 12.026 10.736 19.819 0.50 10.40 O ATOM 917 CB ASER A 793 10.399 13.612 19.199 0.50 10.21 C ATOM 918 CB BSER A 793 10.097 12.816 19.683 0.50 8.72 C ATOM 919 OG ASER A 793 9.982 12.742 18.156 0.50 10.72 O ATOM 920 OG BSER A 793 9.513 12.045 18.645 0.50 8.67 O ATOM 921 N APHE A 794 13.155 11.946 18.102 0.50 9.73 N ATOM 922 N BPHE A 794 13.133 11.710 18.124 0.50 9.67 N ATOM 923 CA APHE A 794 13.834 10.667 17.893 0.50 9.51 C ATOM 924 CA BPHE A 794 13.906 10.514 17.841 0.50 9.46 C ATOM 925 C APHE A 794 15.275 10.866 17.415 0.50 9.36 C ATOM 926 C BPHE A 794 15.323 10.843 17.389 0.50 9.32 C ATOM 927 O APHE A 794 15.693 10.304 16.400 0.50 8.07 O ATOM 928 O BPHE A 794 15.776 10.352 16.353 0.50 8.10 O ATOM 929 CB APHE A 794 13.055 9.791 16.908 0.50 9.70 C ATOM 930 CB BPHE A 794 13.195 9.635 16.804 0.50 9.57 C ATOM 931 CG APHE A 794 12.614 10.510 15.665 0.50 10.00 C ATOM 932 CG BPHE A 794 12.733 10.377 15.580 0.50 9.76 C ATOM 933 CD1APHE A 794 11.463 11.283 15.667 0.50 10.35 C ATOM 934 CD1BPHE A 794 11.534 11.072 15.585 0.50 10.24 C ATOM 935 CD2APHE A 794 13.340 10.406 14.495 0.50 9.93 C ATOM 936 CD2BPHE A 794 13.483 10.362 14.420 0.50 9.84 C ATOM 937 CE1APHE A 794 11.049 11.937 14.524 0.50 10.10 C ATOM 938 CE1BPHE A 794 11.101 11.746 14.461 0.50 9.91 C ATOM 939 CE2APHE A 794 12.933 11.060 13.352 0.50 10.46 C ATOM 940 CE2BPHE A 794 13.055 11.034 13.293 0.50 10.36 C ATOM 941 CZ APHE A 794 11.784 11.826 13.366 0.50 10.19 C ATOM 942 CZ BPHE A 794 11.861 11.728 13.315 0.50 10.07 C ATOM 943 N TYR A 795 16.022 11.658 18.179 1.00 9.25 N ATOM 944 CA TYR A 795 17.406 12.037 17.860 1.00 10.19 C ATOM 945 C TYR A 795 18.339 10.831 17.789 1.00 10.45 C ATOM 946 O TYR A 795 19.185 10.755 16.899 1.00 8.36 O ATOM 947 CB TYR A 795 17.928 13.054 18.896 1.00 11.29 C ATOM 948 CG TYR A 795 19.352 13.556 18.674 1.00 12.45 C ATOM 949 CD1 TYR A 795 19.802 13.927 17.403 1.00 12.72 C ATOM 950 CD2 TYR A 795 20.237 13.697 19.749 1.00 13.29 C ATOM 951 CE1 TYR A 795 21.105 14.404 17.203 1.00 13.19 C ATOM 952 CE2 TYR A 795 21.547 14.171 19.559 1.00 13.51 C ATOM 953 CZ TYR A 795 21.972 14.524 18.283 1.00 13.67 C ATOM 954 OH TYR A 795 23.255 14.993 18.088 1.00 13.78 O ATOM 955 N SER A 796 18.185 9.887 18.719 1.00 10.38 N ATOM 956 CA SER A 796 19.054 8.708 18.737 1.00 11.64 C ATOM 957 C SER A 796 18.820 7.841 17.507 1.00 11.11 C ATOM 958 O SER A 796 19.776 7.323 16.919 1.00 10.49 O ATOM 959 CB SER A 796 18.870 7.895 20.025 1.00 13.29 C ATOM 960 OG SER A 796 17.508 7.583 20.227 1.00 16.11 O ATOM 961 N LEU A 797 17.558 7.702 17.099 1.00 10.68 N ATOM 962 CA LEU A 797 17.252 6.993 15.863 1.00 10.56 C ATOM 963 C LEU A 797 17.901 7.710 14.669 1.00 9.57 C ATOM 964 O LEU A 797 18.490 7.055 13.806 1.00 9.53 O ATOM 965 CB LEU A 797 15.737 6.826 15.645 1.00 11.94 C ATOM 966 CG LEU A 797 15.367 5.807 14.547 1.00 13.10 C ATOM 967 CD1 LEU A 797 15.554 4.394 15.059 1.00 14.16 C ATOM 968 CD2 LEU A 797 13.948 5.976 14.035 1.00 14.32 C ATOM 969 N CYS A 798 17.810 9.043 14.628 1.00 9.59 N ATOM 970 CA CYS A 798 18.446 9.816 13.545 1.00 9.96 C ATOM 971 C CYS A 798 19.957 9.562 13.497 1.00 9.88 C ATOM 972 O CYS A 798 20.509 9.324 12.425 1.00 8.96 O ATOM 973 CB CYS A 798 18.182 11.320 13.670 1.00 9.77 C ATOM 974 SG CYS A 798 16.492 11.837 13.320 1.00 10.90 S ATOM 975 N LEU A 799 20.612 9.597 14.657 1.00 10.85 N ATOM 976 CA LEU A 799 22.053 9.310 14.738 1.00 10.75 C ATOM 977 C LEU A 799 22.396 7.890 14.260 1.00 10.81 C ATOM 978 O LEU A 799 23.395 7.692 13.563 1.00 10.32 O ATOM 979 CB LEU A 799 22.574 9.532 16.161 1.00 10.96 C ATOM 980 CG LEU A 799 22.547 10.973 16.687 1.00 11.50 C ATOM 981 CD1 LEU A 799 22.821 11.002 18.188 1.00 11.88 C ATOM 982 CD2 LEU A 799 23.544 11.877 15.936 1.00 11.94 C ATOM 983 N THR A 800 21.580 6.905 14.631 1.00 10.56 N ATOM 984 CA THR A 800 21.755 5.540 14.122 1.00 11.40 C ATOM 985 C THR A 800 21.667 5.510 12.595 1.00 10.83 C ATOM 986 O THR A 800 22.515 4.915 11.939 1.00 11.31 O ATOM 987 CB THR A 800 20.725 4.556 14.718 1.00 11.95 C ATOM 988 OG1 THR A 800 20.995 4.386 16.104 1.00 14.12 O ATOM 989 CG2 THR A 800 20.811 3.200 14.043 1.00 12.87 C ATOM 990 N MET A 801 20.649 6.157 12.032 1.00 10.19 N ATOM 991 CA MET A 801 20.491 6.194 10.578 1.00 10.44 C ATOM 992 C MET A 801 21.618 6.975 9.896 1.00 10.09 C ATOM 993 O MET A 801 22.097 6.592 8.822 1.00 8.79 O ATOM 994 CB MET A 801 19.122 6.765 10.203 1.00 11.99 C ATOM 995 CG MET A 801 17.971 5.812 10.545 1.00 12.52 C ATOM 996 SD MET A 801 16.345 6.369 9.995 1.00 13.69 S ATOM 997 CE MET A 801 15.948 7.656 11.157 1.00 12.41 C ATOM 998 N TRP A 802 22.047 8.053 10.543 1.00 9.87 N ATOM 999 CA TRP A 802 23.083 8.952 10.018 1.00 9.73 C ATOM 1000 C TRP A 802 24.451 8.268 9.849 1.00 11.20 C ATOM 1001 O TRP A 802 25.292 8.730 9.060 1.00 9.48 O ATOM 1002 CB TRP A 802 23.193 10.170 10.948 1.00 8.87 C ATOM 1003 CG TRP A 802 23.778 11.422 10.365 1.00 7.16 C ATOM 1004 CD1 TRP A 802 24.003 11.712 9.051 1.00 6.86 C ATOM 1005 CD2 TRP A 802 24.151 12.583 11.099 1.00 5.95 C ATOM 1006 NE1 TRP A 802 24.524 12.980 8.928 1.00 6.01 N ATOM 1007 CE2 TRP A 802 24.631 13.534 10.173 1.00 6.08 C ATOM 1008 CE3 TRP A 802 24.151 12.905 12.452 1.00 6.01 C ATOM 1009 CZ2 TRP A 802 25.095 14.784 10.561 1.00 5.95 C ATOM 1010 CZ3 TRP A 802 24.617 14.147 12.841 1.00 6.50 C ATOM 1011 CH2 TRP A 802 25.081 15.073 11.896 1.00 6.42 C ATOM 1012 N GLN A 803 24.665 7.165 10.572 1.00 10.75 N ATOM 1013 CA GLN A 803 25.874 6.353 10.419 1.00 11.04 C ATOM 1014 C GLN A 803 26.141 5.933 8.972 1.00 10.26 C ATOM 1015 O GLN A 803 27.292 5.919 8.535 1.00 9.25 O ATOM 1016 CB GLN A 803 25.794 5.082 11.270 1.00 12.50 C ATOM 1017 CG GLN A 803 25.899 5.321 12.760 1.00 13.69 C ATOM 1018 CD GLN A 803 25.644 4.076 13.603 1.00 14.71 C ATOM 1019 OE1 GLN A 803 26.148 3.974 14.710 1.00 17.33 O ATOM 1020 NE2 GLN A 803 24.844 3.148 13.095 1.00 14.70 N ATOM 1021 N ILE A 804 25.084 5.572 8.248 1.00 9.20 N ATOM 1022 CA ILE A 804 25.227 4.995 6.917 1.00 9.45 C ATOM 1023 C ILE A 804 25.875 5.983 5.939 1.00 8.56 C ATOM 1024 O ILE A 804 26.877 5.653 5.318 1.00 7.76 O ATOM 1025 CB ILE A 804 23.864 4.437 6.357 1.00 10.51 C ATOM 1026 CG1 ILE A 804 23.333 3.306 7.241 1.00 12.75 C ATOM 1027 CG2 ILE A 804 24.033 3.893 4.960 1.00 8.96 C ATOM 1028 CD1 ILE A 804 24.363 2.212 7.540 1.00 14.38 C ATOM 1029 N PRO A 805 25.325 7.204 5.821 1.00 8.85 N ATOM 1030 CA PRO A 805 25.982 8.159 4.921 1.00 8.65 C ATOM 1031 C PRO A 805 27.387 8.555 5.375 1.00 8.34 C ATOM 1032 O PRO A 805 28.236 8.833 4.535 1.00 8.17 O ATOM 1033 CB PRO A 805 25.044 9.371 4.928 1.00 8.69 C ATOM 1034 CG PRO A 805 24.157 9.191 6.094 1.00 8.62 C ATOM 1035 CD PRO A 805 24.043 7.721 6.328 1.00 8.30 C ATOM 1036 N GLN A 806 27.640 8.574 6.680 1.00 7.90 N ATOM 1037 CA GLN A 806 28.991 8.877 7.140 1.00 9.37 C ATOM 1038 C GLN A 806 29.950 7.764 6.679 1.00 9.27 C ATOM 1039 O GLN A 806 31.103 8.036 6.351 1.00 9.08 O ATOM 1040 CB GLN A 806 29.055 9.105 8.662 1.00 10.19 C ATOM 1041 CG GLN A 806 28.179 10.259 9.185 1.00 10.58 C ATOM 1042 CD GLN A 806 28.628 11.652 8.747 1.00 11.98 C ATOM 1043 OE1 GLN A 806 29.371 11.821 7.770 1.00 10.34 O ATOM 1044 NE2 GLN A 806 28.166 12.671 9.483 1.00 12.74 N ATOM 1045 N GLU A 807 29.462 6.526 6.621 1.00 8.73 N ATOM 1046 CA GLU A 807 30.279 5.407 6.146 1.00 10.39 C ATOM 1047 C GLU A 807 30.486 5.481 4.614 1.00 8.11 C ATOM 1048 O GLU A 807 31.561 5.197 4.119 1.00 8.13 O ATOM 1049 CB GLU A 807 29.643 4.078 6.570 1.00 12.88 C ATOM 1050 CG GLU A 807 30.397 2.826 6.138 1.00 15.92 C ATOM 1051 CD GLU A 807 31.441 2.347 7.133 1.00 18.62 C ATOM 1052 OE1 GLU A 807 32.093 3.187 7.801 1.00 20.43 O ATOM 1053 OE2 GLU A 807 31.622 1.106 7.226 1.00 20.96 O ATOM 1054 N PHE A 808 29.456 5.869 3.871 1.00 8.08 N ATOM 1055 CA PHE A 808 29.614 6.133 2.440 1.00 7.52 C ATOM 1056 C PHE A 808 30.673 7.208 2.199 1.00 7.99 C ATOM 1057 O PHE A 808 31.465 7.098 1.267 1.00 7.89 O ATOM 1058 CB PHE A 808 28.294 6.570 1.814 1.00 7.97 C ATOM 1059 CG PHE A 808 27.274 5.471 1.682 1.00 8.83 C ATOM 1060 CD1 PHE A 808 27.589 4.136 1.942 1.00 9.11 C ATOM 1061 CD2 PHE A 808 25.998 5.775 1.233 1.00 9.98 C ATOM 1062 CE1 PHE A 808 26.630 3.140 1.778 1.00 9.48 C ATOM 1063 CE2 PHE A 808 25.037 4.789 1.068 1.00 9.91 C ATOM 1064 CZ PHE A 808 25.345 3.478 1.346 1.00 10.18 C ATOM 1065 N VAL A 809 30.687 8.237 3.047 1.00 7.90 N ATOM 1066 CA VAL A 809 31.704 9.288 2.959 1.00 8.71 C ATOM 1067 C VAL A 809 33.082 8.682 3.218 1.00 9.51 C ATOM 1068 O VAL A 809 34.019 8.876 2.433 1.00 9.42 O ATOM 1069 CB VAL A 809 31.430 10.436 3.965 1.00 6.98 C ATOM 1070 CG1 VAL A 809 32.632 11.373 4.069 1.00 8.76 C ATOM 1071 CG2 VAL A 809 30.185 11.210 3.560 1.00 6.01 C ATOM 1072 N LYS A 810 33.187 7.929 4.312 1.00 9.54 N ATOM 1073 CA LYS A 810 34.437 7.257 4.671 1.00 10.84 C ATOM 1074 C LYS A 810 34.968 6.397 3.527 1.00 10.24 C ATOM 1075 O LYS A 810 36.120 6.523 3.130 1.00 9.34 O ATOM 1076 CB LYS A 810 34.232 6.403 5.925 1.00 12.58 C ATOM 1077 CG LYS A 810 35.490 5.692 6.423 1.00 14.08 C ATOM 1078 CD LYS A 810 35.365 5.291 7.893 1.00 15.36 C ATOM 1079 CE LYS A 810 36.670 4.697 8.440 1.00 15.85 C ATOM 1080 NZ LYS A 810 36.964 5.192 9.824 1.00 16.11 N ATOM 1081 N LEU A 811 34.122 5.528 2.985 1.00 9.38 N ATOM 1082 CA LEU A 811 34.549 4.606 1.926 1.00 8.82 C ATOM 1083 C LEU A 811 34.505 5.182 0.501 1.00 9.76 C ATOM 1084 O LEU A 811 34.986 4.547 -0.438 1.00 7.98 O ATOM 1085 CB LEU A 811 33.693 3.344 1.972 1.00 9.52 C ATOM 1086 CG LEU A 811 33.938 2.425 3.163 1.00 9.39 C ATOM 1087 CD1 LEU A 811 32.781 1.446 3.306 1.00 8.93 C ATOM 1088 CD2 LEU A 811 35.247 1.696 2.987 1.00 8.48 C ATOM 1089 N GLN A 812 33.932 6.370 0.335 1.00 10.01 N ATOM 1090 CA GLN A 812 33.693 6.936 -0.994 1.00 10.38 C ATOM 1091 C GLN A 812 33.122 5.872 -1.942 1.00 9.25 C ATOM 1092 O GLN A 812 33.736 5.472 -2.944 1.00 6.82 O ATOM 1093 CB GLN A 812 34.950 7.598 -1.558 1.00 12.20 C ATOM 1094 CG GLN A 812 35.351 8.883 -0.823 1.00 14.51 C ATOM 1095 CD GLN A 812 34.295 10.008 -0.918 1.00 16.61 C ATOM 1096 OE1 GLN A 812 33.999 10.509 -2.014 1.00 18.68 O ATOM 1097 NE2 GLN A 812 33.746 10.417 0.231 1.00 13.02 N ATOM 1098 N VAL A 813 31.926 5.420 -1.590 1.00 7.34 N ATOM 1099 CA VAL A 813 31.197 4.437 -2.386 1.00 6.15 C ATOM 1100 C VAL A 813 30.805 5.044 -3.739 1.00 6.31 C ATOM 1101 O VAL A 813 30.285 6.160 -3.808 1.00 4.52 O ATOM 1102 CB VAL A 813 29.963 3.937 -1.618 1.00 5.97 C ATOM 1103 CG1 VAL A 813 29.137 2.976 -2.477 1.00 4.87 C ATOM 1104 CG2 VAL A 813 30.404 3.251 -0.320 1.00 5.60 C ATOM 1105 N SER A 814 31.105 4.318 -4.812 1.00 5.01 N ATOM 1106 CA SER A 814 30.716 4.735 -6.151 1.00 6.05 C ATOM 1107 C SER A 814 29.271 4.356 -6.412 1.00 5.81 C ATOM 1108 O SER A 814 28.732 3.471 -5.761 1.00 6.06 O ATOM 1109 CB SER A 814 31.611 4.089 -7.212 1.00 4.77 C ATOM 1110 OG SER A 814 31.450 2.682 -7.245 1.00 3.90 O ATOM 1111 N GLN A 815 28.657 5.027 -7.377 1.00 7.23 N ATOM 1112 CA GLN A 815 27.292 4.721 -7.782 1.00 9.01 C ATOM 1113 C GLN A 815 27.173 3.281 -8.271 1.00 8.04 C ATOM 1114 O GLN A 815 26.174 2.622 -8.018 1.00 6.97 O ATOM 1115 CB GLN A 815 26.845 5.676 -8.888 1.00 12.33 C ATOM 1116 CG GLN A 815 25.376 5.550 -9.248 1.00 15.18 C ATOM 1117 CD GLN A 815 24.940 6.623 -10.216 1.00 18.66 C ATOM 1118 OE1 GLN A 815 24.328 7.618 -9.815 1.00 21.33 O ATOM 1119 NE2 GLN A 815 25.261 6.438 -11.497 1.00 18.59 N ATOM 1120 N GLU A 816 28.197 2.803 -8.975 1.00 6.31 N ATOM 1121 CA GLU A 816 28.186 1.441 -9.503 1.00 5.92 C ATOM 1122 C GLU A 816 28.190 0.418 -8.378 1.00 5.51 C ATOM 1123 O GLU A 816 27.468 -0.585 -8.444 1.00 3.86 O ATOM 1124 CB GLU A 816 29.371 1.212 -10.442 1.00 6.68 C ATOM 1125 CG GLU A 816 29.285 2.041 -11.711 1.00 7.36 C ATOM 1126 CD GLU A 816 29.765 3.481 -11.551 1.00 8.78 C ATOM 1127 OE1 GLU A 816 30.430 3.811 -10.554 1.00 8.84 O ATOM 1128 OE2 GLU A 816 29.483 4.293 -12.451 1.00 13.54 O ATOM 1129 N GLU A 817 28.995 0.671 -7.345 1.00 4.02 N ATOM 1130 CA GLU A 817 29.040 -0.213 -6.174 1.00 5.77 C ATOM 1131 C GLU A 817 27.715 -0.188 -5.428 1.00 6.07 C ATOM 1132 O GLU A 817 27.171 -1.242 -5.100 1.00 7.68 O ATOM 1133 CB GLU A 817 30.180 0.172 -5.231 1.00 5.56 C ATOM 1134 CG GLU A 817 31.559 -0.194 -5.755 1.00 6.34 C ATOM 1135 CD GLU A 817 32.676 0.534 -5.029 1.00 7.33 C ATOM 1136 OE1 GLU A 817 32.413 1.605 -4.444 1.00 8.78 O ATOM 1137 OE2 GLU A 817 33.827 0.039 -5.043 1.00 8.17 O ATOM 1138 N PHE A 818 27.202 1.023 -5.192 1.00 5.97 N ATOM 1139 CA PHE A 818 25.889 1.251 -4.576 1.00 5.80 C ATOM 1140 C PHE A 818 24.751 0.478 -5.252 1.00 4.68 C ATOM 1141 O PHE A 818 23.990 -0.199 -4.589 1.00 4.46 O ATOM 1142 CB PHE A 818 25.551 2.749 -4.590 1.00 5.71 C ATOM 1143 CG PHE A 818 24.117 3.045 -4.230 1.00 6.69 C ATOM 1144 CD1 PHE A 818 23.701 2.985 -2.920 1.00 8.42 C ATOM 1145 CD2 PHE A 818 23.194 3.373 -5.210 1.00 7.21 C ATOM 1146 CE1 PHE A 818 22.367 3.235 -2.580 1.00 8.15 C ATOM 1147 CE2 PHE A 818 21.884 3.626 -4.887 1.00 7.98 C ATOM 1148 CZ PHE A 818 21.472 3.563 -3.564 1.00 8.31 C ATOM 1149 N LEU A 819 24.637 0.606 -6.567 1.00 4.94 N ATOM 1150 CA LEU A 819 23.581 -0.075 -7.323 1.00 5.26 C ATOM 1151 C LEU A 819 23.627 -1.592 -7.155 1.00 6.78 C ATOM 1152 O LEU A 819 22.591 -2.219 -6.963 1.00 7.55 O ATOM 1153 CB LEU A 819 23.658 0.295 -8.798 1.00 6.39 C ATOM 1154 CG LEU A 819 23.352 1.764 -9.088 1.00 5.87 C ATOM 1155 CD1 LEU A 819 23.693 2.093 -10.522 1.00 5.65 C ATOM 1156 CD2 LEU A 819 21.885 2.061 -8.776 1.00 6.97 C ATOM 1157 N CYS A 820 24.825 -2.173 -7.194 1.00 6.03 N ATOM 1158 CA CYS A 820 24.974 -3.614 -6.987 1.00 6.37 C ATOM 1159 C CYS A 820 24.654 -4.020 -5.543 1.00 5.59 C ATOM 1160 O CYS A 820 23.931 -4.996 -5.321 1.00 4.30 O ATOM 1161 CB CYS A 820 26.378 -4.089 -7.376 1.00 5.19 C ATOM 1162 SG CYS A 820 26.760 -3.897 -9.135 1.00 6.49 S ATOM 1163 N MET A 821 25.196 -3.277 -4.574 1.00 5.10 N ATOM 1164 CA MET A 821 24.954 -3.541 -3.154 1.00 6.56 C ATOM 1165 C MET A 821 23.470 -3.468 -2.817 1.00 5.82 C ATOM 1166 O MET A 821 22.971 -4.260 -2.006 1.00 6.42 O ATOM 1167 CB MET A 821 25.714 -2.549 -2.260 1.00 6.47 C ATOM 1168 CG MET A 821 27.218 -2.691 -2.301 1.00 7.80 C ATOM 1169 SD MET A 821 28.087 -1.285 -1.552 1.00 9.90 S ATOM 1170 CE MET A 821 27.926 -1.673 0.185 1.00 8.37 C ATOM 1171 N LYS A 822 22.778 -2.503 -3.410 1.00 4.83 N ATOM 1172 CA LYS A 822 21.351 -2.364 -3.180 1.00 6.23 C ATOM 1173 C LYS A 822 20.549 -3.595 -3.652 1.00 6.02 C ATOM 1174 O LYS A 822 19.625 -4.014 -2.967 1.00 5.96 O ATOM 1175 CB LYS A 822 20.813 -1.080 -3.813 1.00 7.52 C ATOM 1176 CG LYS A 822 19.377 -0.801 -3.422 1.00 8.78 C ATOM 1177 CD LYS A 822 19.012 0.678 -3.516 1.00 11.08 C ATOM 1178 CE LYS A 822 19.074 1.179 -4.946 1.00 11.86 C ATOM 1179 NZ LYS A 822 18.061 0.474 -5.790 1.00 11.93 N ATOM 1180 N VAL A 823 20.907 -4.180 -4.798 1.00 6.65 N ATOM 1181 CA VAL A 823 20.254 -5.433 -5.241 1.00 5.36 C ATOM 1182 C VAL A 823 20.531 -6.540 -4.225 1.00 5.18 C ATOM 1183 O VAL A 823 19.646 -7.313 -3.864 1.00 3.45 O ATOM 1184 CB VAL A 823 20.705 -5.875 -6.664 1.00 5.39 C ATOM 1185 CG1 VAL A 823 20.084 -7.227 -7.047 1.00 4.79 C ATOM 1186 CG2 VAL A 823 20.327 -4.833 -7.674 1.00 5.06 C ATOM 1187 N LEU A 824 21.763 -6.607 -3.739 1.00 4.39 N ATOM 1188 CA LEU A 824 22.118 -7.646 -2.770 1.00 4.67 C ATOM 1189 C LEU A 824 21.322 -7.542 -1.471 1.00 4.72 C ATOM 1190 O LEU A 824 20.993 -8.565 -0.876 1.00 4.83 O ATOM 1191 CB LEU A 824 23.618 -7.645 -2.500 1.00 3.98 C ATOM 1192 CG LEU A 824 24.454 -8.062 -3.712 1.00 3.61 C ATOM 1193 CD1 LEU A 824 25.941 -7.867 -3.437 1.00 2.82 C ATOM 1194 CD2 LEU A 824 24.145 -9.513 -4.101 1.00 2.87 C ATOM 1195 N LEU A 825 21.021 -6.318 -1.038 1.00 4.31 N ATOM 1196 CA LEU A 825 20.127 -6.103 0.105 1.00 4.65 C ATOM 1197 C LEU A 825 18.744 -6.722 -0.125 1.00 5.28 C ATOM 1198 O LEU A 825 18.219 -7.378 0.760 1.00 5.35 O ATOM 1199 CB LEU A 825 20.013 -4.615 0.452 1.00 4.29 C ATOM 1200 CG LEU A 825 21.259 -4.043 1.135 1.00 4.50 C ATOM 1201 CD1 LEU A 825 21.109 -2.553 1.387 1.00 6.52 C ATOM 1202 CD2 LEU A 825 21.470 -4.794 2.419 1.00 4.59 C ATOM 1203 N LEU A 826 18.168 -6.525 -1.309 1.00 5.79 N ATOM 1204 CA LEU A 826 16.911 -7.199 -1.671 1.00 5.32 C ATOM 1205 C LEU A 826 17.014 -8.728 -1.509 1.00 5.82 C ATOM 1206 O LEU A 826 16.041 -9.391 -1.148 1.00 6.92 O ATOM 1207 CB LEU A 826 16.521 -6.838 -3.105 1.00 5.00 C ATOM 1208 CG LEU A 826 15.334 -7.544 -3.760 1.00 5.24 C ATOM 1209 CD1 LEU A 826 14.014 -7.164 -3.067 1.00 5.85 C ATOM 1210 CD2 LEU A 826 15.304 -7.233 -5.256 1.00 6.04 C ATOM 1211 N LEU A 827 18.205 -9.267 -1.763 1.00 4.86 N ATOM 1212 CA LEU A 827 18.450 -10.696 -1.765 1.00 5.45 C ATOM 1213 C LEU A 827 19.218 -11.166 -0.528 1.00 6.82 C ATOM 1214 O LEU A 827 19.883 -12.200 -0.573 1.00 8.06 O ATOM 1215 CB LEU A 827 19.247 -11.060 -3.028 1.00 5.65 C ATOM 1216 CG LEU A 827 18.661 -10.624 -4.373 1.00 4.92 C ATOM 1217 CD1 LEU A 827 19.602 -11.016 -5.525 1.00 4.75 C ATOM 1218 CD2 LEU A 827 17.303 -11.249 -4.584 1.00 5.51 C ATOM 1219 N ASN A 828 19.133 -10.424 0.576 1.00 8.12 N ATOM 1220 CA ASN A 828 20.005 -10.678 1.720 1.00 7.78 C ATOM 1221 C ASN A 828 19.400 -11.439 2.907 1.00 6.41 C ATOM 1222 O ASN A 828 20.103 -11.710 3.857 1.00 5.93 O ATOM 1223 CB ASN A 828 20.632 -9.373 2.225 1.00 9.53 C ATOM 1224 CG ASN A 828 22.109 -9.535 2.555 1.00 11.69 C ATOM 1225 OD1 ASN A 828 22.783 -10.409 1.995 1.00 14.34 O ATOM 1226 ND2 ASN A 828 22.627 -8.685 3.445 1.00 11.43 N ATOM 1227 N THR A 829 18.118 -11.780 2.845 1.00 5.36 N ATOM 1228 CA THR A 829 17.465 -12.591 3.874 1.00 6.47 C ATOM 1229 C THR A 829 16.471 -13.521 3.185 1.00 5.95 C ATOM 1230 O THR A 829 15.772 -13.089 2.275 1.00 7.87 O ATOM 1231 CB THR A 829 16.695 -11.730 4.904 1.00 6.84 C ATOM 1232 OG1 THR A 829 17.552 -10.728 5.453 1.00 8.19 O ATOM 1233 CG2 THR A 829 16.149 -12.598 6.036 1.00 6.84 C ATOM 1234 N ILE A 830 16.449 -14.792 3.576 1.00 5.25 N ATOM 1235 CA ILE A 830 15.465 -15.753 3.059 1.00 4.92 C ATOM 1236 C ILE A 830 14.777 -16.468 4.232 1.00 5.51 C ATOM 1237 O ILE A 830 15.241 -16.381 5.382 1.00 3.39 O ATOM 1238 CB ILE A 830 16.107 -16.752 2.055 1.00 6.04 C ATOM 1239 CG1 ILE A 830 17.094 -17.693 2.757 1.00 6.02 C ATOM 1240 CG2 ILE A 830 16.797 -15.993 0.916 1.00 5.84 C ATOM 1241 CD1 ILE A 830 17.800 -18.671 1.814 1.00 6.42 C ATOM 1242 N PRO A 831 13.642 -17.142 3.964 1.00 6.44 N ATOM 1243 CA PRO A 831 12.996 -17.874 5.040 1.00 6.76 C ATOM 1244 C PRO A 831 13.901 -18.987 5.560 1.00 8.24 C ATOM 1245 O PRO A 831 14.821 -19.427 4.860 1.00 7.54 O ATOM 1246 CB PRO A 831 11.740 -18.467 4.379 1.00 6.35 C ATOM 1247 CG PRO A 831 11.500 -17.648 3.169 1.00 6.32 C ATOM 1248 CD PRO A 831 12.842 -17.146 2.722 1.00 5.88 C ATOM 1249 N LEU A 832 13.644 -19.425 6.781 1.00 9.39 N ATOM 1250 CA LEU A 832 14.368 -20.549 7.367 1.00 11.28 C ATOM 1251 C LEU A 832 14.278 -21.802 6.490 1.00 12.44 C ATOM 1252 O LEU A 832 15.225 -22.573 6.411 1.00 13.09 O ATOM 1253 CB LEU A 832 13.833 -20.854 8.768 1.00 12.15 C ATOM 1254 CG LEU A 832 14.120 -19.789 9.828 1.00 12.80 C ATOM 1255 CD1 LEU A 832 13.487 -20.184 11.137 1.00 12.19 C ATOM 1256 CD2 LEU A 832 15.626 -19.570 9.993 1.00 13.50 C ATOM 1257 N GLU A 833 13.139 -21.984 5.830 1.00 13.53 N ATOM 1258 CA GLU A 833 12.908 -23.129 4.952 1.00 15.79 C ATOM 1259 C GLU A 833 13.360 -22.880 3.507 1.00 14.35 C ATOM 1260 O GLU A 833 13.116 -23.699 2.627 1.00 13.97 O ATOM 1261 CB GLU A 833 11.420 -23.520 4.982 1.00 17.93 C ATOM 1262 CG GLU A 833 10.460 -22.474 4.372 1.00 20.26 C ATOM 1263 CD GLU A 833 9.982 -21.409 5.357 1.00 21.33 C ATOM 1264 OE1 GLU A 833 8.934 -20.793 5.076 1.00 23.55 O ATOM 1265 OE2 GLU A 833 10.648 -21.168 6.388 1.00 21.03 O ATOM 1266 N GLY A 834 14.017 -21.752 3.259 1.00 12.85 N ATOM 1267 CA GLY A 834 14.393 -21.375 1.906 1.00 12.52 C ATOM 1268 C GLY A 834 13.219 -20.874 1.078 1.00 10.89 C ATOM 1269 O GLY A 834 12.086 -20.808 1.541 1.00 10.93 O ATOM 1270 N LEU A 835 13.511 -20.523 -0.162 1.00 11.10 N ATOM 1271 CA LEU A 835 12.516 -20.020 -1.093 1.00 10.39 C ATOM 1272 C LEU A 835 11.974 -21.144 -1.976 1.00 11.09 C ATOM 1273 O LEU A 835 12.587 -22.200 -2.092 1.00 10.48 O ATOM 1274 CB LEU A 835 13.166 -18.964 -1.990 1.00 9.59 C ATOM 1275 CG LEU A 835 13.691 -17.712 -1.270 1.00 8.84 C ATOM 1276 CD1 LEU A 835 14.635 -16.948 -2.176 1.00 8.65 C ATOM 1277 CD2 LEU A 835 12.551 -16.826 -0.804 1.00 8.88 C ATOM 1278 N ARG A 836 10.849 -20.885 -2.636 1.00 10.94 N ATOM 1279 CA ARG A 836 10.289 -21.823 -3.624 1.00 12.32 C ATOM 1280 C ARG A 836 11.173 -21.931 -4.876 1.00 9.74 C ATOM 1281 O ARG A 836 11.344 -23.016 -5.424 1.00 9.82 O ATOM 1282 CB ARG A 836 8.877 -21.397 -4.020 1.00 13.16 C ATOM 1283 CG ARG A 836 7.922 -21.350 -2.836 1.00 16.26 C ATOM 1284 CD ARG A 836 6.481 -21.121 -3.249 1.00 17.93 C ATOM 1285 NE ARG A 836 5.897 -22.288 -3.923 1.00 20.20 N ATOM 1286 CZ ARG A 836 4.594 -22.574 -3.962 1.00 22.00 C ATOM 1287 NH1 ARG A 836 3.702 -21.796 -3.354 1.00 22.38 N ATOM 1288 NH2 ARG A 836 4.178 -23.657 -4.608 1.00 22.76 N ATOM 1289 N SER A 837 11.713 -20.800 -5.319 1.00 9.46 N ATOM 1290 CA SER A 837 12.636 -20.735 -6.466 1.00 10.14 C ATOM 1291 C SER A 837 14.081 -20.594 -5.983 1.00 9.95 C ATOM 1292 O SER A 837 14.803 -19.702 -6.438 1.00 8.33 O ATOM 1293 CB SER A 837 12.288 -19.536 -7.365 1.00 11.01 C ATOM 1294 OG SER A 837 10.998 -19.655 -7.937 1.00 12.12 O ATOM 1295 N GLN A 838 14.500 -21.476 -5.072 1.00 10.37 N ATOM 1296 CA GLN A 838 15.814 -21.359 -4.415 1.00 10.52 C ATOM 1297 C GLN A 838 16.980 -21.413 -5.400 1.00 10.29 C ATOM 1298 O GLN A 838 17.931 -20.650 -5.266 1.00 9.16 O ATOM 1299 CB GLN A 838 16.002 -22.431 -3.319 1.00 11.64 C ATOM 1300 CG GLN A 838 17.262 -22.254 -2.411 1.00 11.63 C ATOM 1301 CD GLN A 838 17.247 -20.983 -1.548 1.00 12.80 C ATOM 1302 OE1 GLN A 838 16.194 -20.511 -1.132 1.00 12.16 O ATOM 1303 NE2 GLN A 838 18.428 -20.434 -1.278 1.00 14.11 N ATOM 1304 N THR A 839 16.905 -22.305 -6.382 1.00 11.05 N ATOM 1305 CA THR A 839 17.966 -22.459 -7.362 1.00 10.78 C ATOM 1306 C THR A 839 18.168 -21.166 -8.133 1.00 9.95 C ATOM 1307 O THR A 839 19.288 -20.691 -8.278 1.00 9.56 O ATOM 1308 CB THR A 839 17.642 -23.580 -8.361 1.00 11.58 C ATOM 1309 OG1 THR A 839 17.403 -24.792 -7.644 1.00 12.01 O ATOM 1310 CG2 THR A 839 18.799 -23.793 -9.348 1.00 12.22 C ATOM 1311 N GLN A 840 17.068 -20.596 -8.611 1.00 9.64 N ATOM 1312 CA GLN A 840 17.104 -19.362 -9.384 1.00 10.58 C ATOM 1313 C GLN A 840 17.574 -18.189 -8.528 1.00 8.96 C ATOM 1314 O GLN A 840 18.263 -17.294 -9.013 1.00 7.88 O ATOM 1315 CB GLN A 840 15.722 -19.055 -9.962 1.00 12.74 C ATOM 1316 CG GLN A 840 15.137 -20.187 -10.826 1.00 15.01 C ATOM 1317 CD GLN A 840 14.124 -21.079 -10.080 1.00 16.26 C ATOM 1318 OE1 GLN A 840 14.477 -21.847 -9.161 1.00 14.36 O ATOM 1319 NE2 GLN A 840 12.859 -20.989 -10.490 1.00 17.12 N ATOM 1320 N PHE A 841 17.197 -18.205 -7.254 1.00 7.44 N ATOM 1321 CA PHE A 841 17.620 -17.171 -6.320 1.00 6.02 C ATOM 1322 C PHE A 841 19.128 -17.208 -6.119 1.00 6.09 C ATOM 1323 O PHE A 841 19.786 -16.166 -6.174 1.00 3.90 O ATOM 1324 CB PHE A 841 16.893 -17.321 -4.970 1.00 5.80 C ATOM 1325 CG PHE A 841 17.484 -16.494 -3.877 1.00 5.68 C ATOM 1326 CD1 PHE A 841 17.108 -15.167 -3.704 1.00 7.01 C ATOM 1327 CD2 PHE A 841 18.428 -17.034 -3.021 1.00 6.27 C ATOM 1328 CE1 PHE A 841 17.662 -14.404 -2.705 1.00 5.73 C ATOM 1329 CE2 PHE A 841 18.990 -16.269 -2.018 1.00 6.15 C ATOM 1330 CZ PHE A 841 18.605 -14.953 -1.863 1.00 7.29 C ATOM 1331 N GLU A 842 19.677 -18.398 -5.865 1.00 6.88 N ATOM 1332 CA GLU A 842 21.126 -18.517 -5.683 1.00 8.71 C ATOM 1333 C GLU A 842 21.844 -17.991 -6.926 1.00 6.64 C ATOM 1334 O GLU A 842 22.763 -17.193 -6.811 1.00 8.53 O ATOM 1335 CB GLU A 842 21.577 -19.964 -5.387 1.00 10.21 C ATOM 1336 CG GLU A 842 21.056 -20.567 -4.073 1.00 12.45 C ATOM 1337 CD GLU A 842 21.734 -20.028 -2.804 1.00 13.11 C ATOM 1338 OE1 GLU A 842 22.423 -18.986 -2.839 1.00 13.56 O ATOM 1339 OE2 GLU A 842 21.565 -20.668 -1.749 1.00 17.10 O ATOM 1340 N GLU A 843 21.401 -18.422 -8.105 1.00 7.33 N ATOM 1341 CA GLU A 843 21.984 -17.963 -9.372 1.00 7.92 C ATOM 1342 C GLU A 843 21.892 -16.443 -9.551 1.00 5.52 C ATOM 1343 O GLU A 843 22.849 -15.813 -9.969 1.00 5.01 O ATOM 1344 CB GLU A 843 21.321 -18.667 -10.560 1.00 10.29 C ATOM 1345 CG GLU A 843 21.606 -20.167 -10.620 1.00 12.61 C ATOM 1346 CD GLU A 843 21.088 -20.828 -11.897 1.00 13.75 C ATOM 1347 OE1 GLU A 843 20.574 -20.128 -12.788 1.00 16.17 O ATOM 1348 OE2 GLU A 843 21.189 -22.059 -12.005 1.00 14.84 O ATOM 1349 N MET A 844 20.745 -15.862 -9.222 1.00 5.25 N ATOM 1350 CA MET A 844 20.561 -14.408 -9.296 1.00 6.37 C ATOM 1351 C MET A 844 21.452 -13.672 -8.286 1.00 5.44 C ATOM 1352 O MET A 844 22.131 -12.704 -8.627 1.00 4.52 O ATOM 1353 CB MET A 844 19.104 -14.043 -9.045 1.00 8.33 C ATOM 1354 CG MET A 844 18.805 -12.552 -9.171 1.00 7.84 C ATOM 1355 SD MET A 844 17.120 -12.153 -8.675 1.00 8.76 S ATOM 1356 CE MET A 844 17.212 -10.358 -8.810 1.00 6.38 C ATOM 1357 N ARG A 845 21.457 -14.144 -7.048 1.00 5.45 N ATOM 1358 CA ARG A 845 22.323 -13.554 -6.017 1.00 6.95 C ATOM 1359 C ARG A 845 23.791 -13.634 -6.416 1.00 6.55 C ATOM 1360 O ARG A 845 24.510 -12.638 -6.319 1.00 6.32 O ATOM 1361 CB ARG A 845 22.115 -14.240 -4.671 1.00 7.30 C ATOM 1362 CG ARG A 845 22.885 -13.592 -3.522 1.00 9.55 C ATOM 1363 CD ARG A 845 22.472 -14.197 -2.202 1.00 10.96 C ATOM 1364 NE ARG A 845 23.193 -13.605 -1.077 1.00 13.13 N ATOM 1365 CZ ARG A 845 24.336 -14.066 -0.572 1.00 14.51 C ATOM 1366 NH1 ARG A 845 24.933 -15.148 -1.077 1.00 16.79 N ATOM 1367 NH2 ARG A 845 24.892 -13.432 0.456 1.00 14.20 N ATOM 1368 N SER A 846 24.230 -14.811 -6.874 1.00 5.81 N ATOM 1369 CA SER A 846 25.631 -15.005 -7.274 1.00 4.63 C ATOM 1370 C SER A 846 26.003 -14.070 -8.435 1.00 4.11 C ATOM 1371 O SER A 846 27.117 -13.525 -8.481 1.00 5.81 O ATOM 1372 CB SER A 846 25.894 -16.470 -7.663 1.00 4.71 C ATOM 1373 OG SER A 846 25.809 -17.328 -6.520 1.00 5.01 O ATOM 1374 N SER A 847 25.072 -13.894 -9.369 1.00 4.77 N ATOM 1375 CA SER A 847 25.264 -12.983 -10.500 1.00 5.70 C ATOM 1376 C SER A 847 25.484 -11.539 -10.046 1.00 5.62 C ATOM 1377 O SER A 847 26.374 -10.879 -10.557 1.00 6.26 O ATOM 1378 CB SER A 847 24.090 -13.093 -11.486 1.00 6.98 C ATOM 1379 OG SER A 847 24.185 -12.135 -12.532 1.00 9.03 O ATOM 1380 N TYR A 848 24.702 -11.053 -9.078 1.00 6.45 N ATOM 1381 CA TYR A 848 24.889 -9.682 -8.586 1.00 5.02 C ATOM 1382 C TYR A 848 26.148 -9.529 -7.704 1.00 3.60 C ATOM 1383 O TYR A 848 26.734 -8.447 -7.648 1.00 2.73 O ATOM 1384 CB TYR A 848 23.624 -9.159 -7.886 1.00 5.39 C ATOM 1385 CG TYR A 848 22.549 -8.810 -8.871 1.00 5.90 C ATOM 1386 CD1 TYR A 848 22.610 -7.619 -9.592 1.00 6.20 C ATOM 1387 CD2 TYR A 848 21.500 -9.694 -9.145 1.00 5.57 C ATOM 1388 CE1 TYR A 848 21.636 -7.287 -10.516 1.00 6.21 C ATOM 1389 CE2 TYR A 848 20.519 -9.373 -10.103 1.00 5.99 C ATOM 1390 CZ TYR A 848 20.601 -8.161 -10.778 1.00 5.93 C ATOM 1391 OH TYR A 848 19.666 -7.801 -11.731 1.00 4.96 O ATOM 1392 N ILE A 849 26.565 -10.600 -7.023 1.00 3.05 N ATOM 1393 CA ILE A 849 27.852 -10.579 -6.311 1.00 2.51 C ATOM 1394 C ILE A 849 28.976 -10.438 -7.324 1.00 3.20 C ATOM 1395 O ILE A 849 29.886 -9.629 -7.128 1.00 5.03 O ATOM 1396 CB ILE A 849 28.089 -11.834 -5.419 1.00 3.13 C ATOM 1397 CG1 ILE A 849 27.123 -11.857 -4.239 1.00 4.07 C ATOM 1398 CG2 ILE A 849 29.533 -11.863 -4.875 1.00 2.00 C ATOM 1399 CD1 ILE A 849 27.132 -13.192 -3.461 1.00 4.17 C ATOM 1400 N ARG A 850 28.915 -11.208 -8.413 1.00 2.67 N ATOM 1401 CA ARG A 850 29.904 -11.089 -9.491 1.00 2.00 C ATOM 1402 C ARG A 850 29.883 -9.672 -10.094 1.00 2.00 C ATOM 1403 O ARG A 850 30.933 -9.120 -10.435 1.00 2.00 O ATOM 1404 CB ARG A 850 29.693 -12.158 -10.578 1.00 2.00 C ATOM 1405 CG ARG A 850 30.014 -13.577 -10.109 1.00 2.50 C ATOM 1406 CD ARG A 850 30.092 -14.604 -11.233 1.00 4.29 C ATOM 1407 NE ARG A 850 28.866 -14.695 -12.024 1.00 5.47 N ATOM 1408 CZ ARG A 850 27.815 -15.473 -11.750 1.00 6.92 C ATOM 1409 NH1 ARG A 850 27.789 -16.275 -10.684 1.00 7.49 N ATOM 1410 NH2 ARG A 850 26.762 -15.441 -12.555 1.00 7.29 N ATOM 1411 N GLU A 851 28.696 -9.076 -10.195 1.00 2.00 N ATOM 1412 CA GLU A 851 28.589 -7.699 -10.706 1.00 3.64 C ATOM 1413 C GLU A 851 29.172 -6.653 -9.764 1.00 4.25 C ATOM 1414 O GLU A 851 29.723 -5.658 -10.229 1.00 5.62 O ATOM 1415 CB GLU A 851 27.149 -7.340 -11.031 1.00 5.28 C ATOM 1416 CG GLU A 851 27.035 -6.266 -12.099 1.00 6.27 C ATOM 1417 CD GLU A 851 27.429 -6.763 -13.486 1.00 7.47 C ATOM 1418 OE1 GLU A 851 27.600 -7.993 -13.695 1.00 8.96 O ATOM 1419 OE2 GLU A 851 27.559 -5.913 -14.379 1.00 7.78 O ATOM 1420 N LEU A 852 29.042 -6.872 -8.452 1.00 3.45 N ATOM 1421 CA LEU A 852 29.684 -6.007 -7.453 1.00 4.72 C ATOM 1422 C LEU A 852 31.196 -6.023 -7.654 1.00 4.42 C ATOM 1423 O LEU A 852 31.848 -4.973 -7.603 1.00 5.00 O ATOM 1424 CB LEU A 852 29.360 -6.458 -6.021 1.00 4.43 C ATOM 1425 CG LEU A 852 29.949 -5.631 -4.863 1.00 6.50 C ATOM 1426 CD1 LEU A 852 29.592 -4.164 -5.026 1.00 6.67 C ATOM 1427 CD2 LEU A 852 29.482 -6.144 -3.481 1.00 5.48 C ATOM 1428 N ILE A 853 31.738 -7.223 -7.868 1.00 4.66 N ATOM 1429 CA ILE A 853 33.173 -7.415 -8.061 1.00 3.81 C ATOM 1430 C ILE A 853 33.662 -6.632 -9.280 1.00 4.64 C ATOM 1431 O ILE A 853 34.733 -6.027 -9.239 1.00 3.73 O ATOM 1432 CB ILE A 853 33.532 -8.916 -8.175 1.00 4.30 C ATOM 1433 CG1 ILE A 853 33.336 -9.594 -6.814 1.00 3.79 C ATOM 1434 CG2 ILE A 853 34.982 -9.105 -8.655 1.00 3.50 C ATOM 1435 CD1 ILE A 853 33.168 -11.108 -6.891 1.00 5.23 C ATOM 1436 N LYS A 854 32.869 -6.623 -10.348 1.00 4.24 N ATOM 1437 CA LYS A 854 33.193 -5.813 -11.546 1.00 5.96 C ATOM 1438 C LYS A 854 33.113 -4.310 -11.233 1.00 4.95 C ATOM 1439 O LYS A 854 33.950 -3.527 -11.689 1.00 4.97 O ATOM 1440 CB LYS A 854 32.225 -6.129 -12.692 1.00 6.38 C ATOM 1441 CG LYS A 854 32.291 -7.540 -13.262 1.00 7.57 C ATOM 1442 CD LYS A 854 31.331 -7.641 -14.449 1.00 8.66 C ATOM 1443 CE LYS A 854 30.671 -8.984 -14.562 1.00 9.36 C ATOM 1444 NZ LYS A 854 29.572 -8.924 -15.594 1.00 8.99 N ATOM 1445 N ALA A 855 32.087 -3.921 -10.476 1.00 4.35 N ATOM 1446 CA ALA A 855 31.892 -2.531 -10.055 1.00 4.21 C ATOM 1447 C ALA A 855 33.100 -2.006 -9.280 1.00 4.42 C ATOM 1448 O ALA A 855 33.560 -0.889 -9.518 1.00 4.16 O ATOM 1449 CB ALA A 855 30.649 -2.415 -9.203 1.00 3.44 C ATOM 1450 N ILE A 856 33.605 -2.831 -8.366 1.00 5.26 N ATOM 1451 CA ILE A 856 34.839 -2.556 -7.621 1.00 5.76 C ATOM 1452 C ILE A 856 36.038 -2.428 -8.553 1.00 7.14 C ATOM 1453 O ILE A 856 36.879 -1.545 -8.374 1.00 5.42 O ATOM 1454 CB ILE A 856 35.140 -3.685 -6.595 1.00 6.45 C ATOM 1455 CG1 ILE A 856 34.113 -3.677 -5.463 1.00 5.63 C ATOM 1456 CG2 ILE A 856 36.558 -3.561 -6.028 1.00 5.30 C ATOM 1457 CD1 ILE A 856 34.223 -4.885 -4.544 1.00 6.36 C ATOM 1458 N GLY A 857 36.114 -3.316 -9.544 1.00 6.66 N ATOM 1459 CA GLY A 857 37.231 -3.321 -10.489 1.00 8.07 C ATOM 1460 C GLY A 857 37.313 -2.095 -11.396 1.00 8.47 C ATOM 1461 O GLY A 857 38.351 -1.852 -11.998 1.00 7.37 O ATOM 1462 N LEU A 858 36.222 -1.332 -11.501 1.00 9.70 N ATOM 1463 CA LEU A 858 36.202 -0.095 -12.287 1.00 11.62 C ATOM 1464 C LEU A 858 37.159 0.974 -11.773 1.00 14.21 C ATOM 1465 O LEU A 858 37.697 1.743 -12.558 1.00 13.54 O ATOM 1466 CB LEU A 858 34.797 0.511 -12.327 1.00 10.55 C ATOM 1467 CG LEU A 858 33.744 -0.240 -13.128 1.00 10.00 C ATOM 1468 CD1 LEU A 858 32.386 0.400 -12.877 1.00 10.19 C ATOM 1469 CD2 LEU A 858 34.121 -0.245 -14.614 1.00 10.12 C ATOM 1470 N ARG A 859 37.348 1.043 -10.463 1.00 18.43 N ATOM 1471 CA ARG A 859 38.197 2.082 -9.880 1.00 22.96 C ATOM 1472 C ARG A 859 39.390 1.453 -9.210 1.00 24.84 C ATOM 1473 O ARG A 859 40.527 1.695 -9.604 1.00 25.59 O ATOM 1474 CB ARG A 859 37.413 2.930 -8.867 1.00 24.54 C ATOM 1475 CG ARG A 859 36.669 4.116 -9.485 1.00 26.33 C ATOM 1476 CD ARG A 859 35.613 4.679 -8.525 1.00 27.88 C ATOM 1477 NE ARG A 859 34.716 5.644 -9.166 1.00 29.04 N ATOM 1478 CZ ARG A 859 33.751 5.334 -10.034 1.00 30.17 C ATOM 1479 NH1 ARG A 859 33.536 4.070 -10.407 1.00 30.45 N ATOM 1480 NH2 ARG A 859 32.995 6.301 -10.546 1.00 30.42 N ATOM 1481 N GLN A 860 39.116 0.644 -8.190 1.00 27.25 N ATOM 1482 CA GLN A 860 40.165 -0.016 -7.422 1.00 28.02 C ATOM 1483 C GLN A 860 40.863 -1.025 -8.315 1.00 28.34 C ATOM 1484 O GLN A 860 40.341 -2.117 -8.572 1.00 28.30 O ATOM 1485 CB GLN A 860 39.611 -0.695 -6.157 1.00 29.08 C ATOM 1486 CG GLN A 860 39.345 0.263 -4.982 1.00 29.67 C ATOM 1487 CD GLN A 860 38.084 1.126 -5.145 1.00 30.69 C ATOM 1488 OE1 GLN A 860 38.049 2.275 -4.696 1.00 31.42 O ATOM 1489 NE2 GLN A 860 37.047 0.570 -5.771 1.00 30.78 N ATOM 1490 N LYS A 861 42.030 -0.617 -8.814 1.00 27.15 N ATOM 1491 CA LYS A 861 42.910 -1.485 -9.568 1.00 26.72 C ATOM 1492 C LYS A 861 43.888 -2.082 -8.561 1.00 25.13 C ATOM 1493 O LYS A 861 44.240 -1.433 -7.567 1.00 25.24 O ATOM 1494 CB LYS A 861 43.681 -0.695 -10.636 1.00 27.67 C ATOM 1495 CG LYS A 861 42.849 0.286 -11.475 1.00 28.10 C ATOM 1496 CD LYS A 861 41.819 -0.413 -12.351 1.00 28.14 C ATOM 1497 CE LYS A 861 41.166 0.569 -13.316 1.00 28.30 C ATOM 1498 NZ LYS A 861 40.201 -0.098 -14.240 1.00 28.86 N ATOM 1499 N GLY A 862 44.328 -3.309 -8.821 1.00 22.72 N ATOM 1500 CA GLY A 862 45.233 -4.017 -7.919 1.00 20.40 C ATOM 1501 C GLY A 862 44.477 -5.082 -7.152 1.00 18.73 C ATOM 1502 O GLY A 862 43.428 -4.806 -6.555 1.00 17.20 O ATOM 1503 N VAL A 863 45.013 -6.299 -7.165 1.00 16.78 N ATOM 1504 CA VAL A 863 44.340 -7.453 -6.566 1.00 16.07 C ATOM 1505 C VAL A 863 44.134 -7.305 -5.051 1.00 15.40 C ATOM 1506 O VAL A 863 43.073 -7.666 -4.532 1.00 15.71 O ATOM 1507 CB VAL A 863 45.102 -8.768 -6.870 1.00 15.81 C ATOM 1508 CG1 VAL A 863 45.208 -8.982 -8.372 1.00 15.63 C ATOM 1509 CG2 VAL A 863 46.480 -8.753 -6.237 1.00 15.17 C ATOM 1510 N VAL A 864 45.126 -6.751 -4.353 1.00 14.43 N ATOM 1511 CA VAL A 864 45.030 -6.569 -2.898 1.00 14.11 C ATOM 1512 C VAL A 864 43.925 -5.561 -2.563 1.00 13.33 C ATOM 1513 O VAL A 864 43.047 -5.849 -1.760 1.00 11.39 O ATOM 1514 CB VAL A 864 46.371 -6.107 -2.255 1.00 14.54 C ATOM 1515 CG1 VAL A 864 46.249 -6.072 -0.732 1.00 14.36 C ATOM 1516 CG2 VAL A 864 47.519 -7.021 -2.664 1.00 14.24 C ATOM 1517 N SER A 865 43.969 -4.396 -3.203 1.00 12.93 N ATOM 1518 CA SER A 865 42.954 -3.359 -3.018 1.00 12.28 C ATOM 1519 C SER A 865 41.545 -3.860 -3.330 1.00 11.07 C ATOM 1520 O SER A 865 40.626 -3.662 -2.537 1.00 10.88 O ATOM 1521 CB SER A 865 43.265 -2.144 -3.898 1.00 13.43 C ATOM 1522 OG SER A 865 42.299 -1.119 -3.719 1.00 15.16 O ATOM 1523 N SER A 866 41.391 -4.507 -4.480 1.00 9.69 N ATOM 1524 CA SER A 866 40.096 -5.004 -4.931 1.00 9.38 C ATOM 1525 C SER A 866 39.513 -6.077 -4.015 1.00 8.23 C ATOM 1526 O SER A 866 38.313 -6.061 -3.736 1.00 5.17 O ATOM 1527 CB SER A 866 40.203 -5.562 -6.348 1.00 10.27 C ATOM 1528 OG SER A 866 40.824 -4.622 -7.205 1.00 12.36 O ATOM 1529 N SER A 867 40.352 -7.015 -3.567 1.00 7.70 N ATOM 1530 CA SER A 867 39.903 -8.050 -2.627 1.00 8.51 C ATOM 1531 C SER A 867 39.547 -7.427 -1.265 1.00 8.21 C ATOM 1532 O SER A 867 38.513 -7.760 -0.680 1.00 6.32 O ATOM 1533 CB SER A 867 40.938 -9.177 -2.481 1.00 9.09 C ATOM 1534 OG SER A 867 42.221 -8.681 -2.140 1.00 10.25 O ATOM 1535 N GLN A 868 40.381 -6.505 -0.783 1.00 7.41 N ATOM 1536 CA GLN A 868 40.079 -5.758 0.448 1.00 7.89 C ATOM 1537 C GLN A 868 38.797 -4.915 0.343 1.00 6.03 C ATOM 1538 O GLN A 868 38.014 -4.852 1.291 1.00 4.43 O ATOM 1539 CB GLN A 868 41.268 -4.876 0.848 1.00 9.83 C ATOM 1540 CG GLN A 868 42.466 -5.674 1.401 1.00 11.63 C ATOM 1541 CD GLN A 868 43.701 -4.812 1.724 1.00 13.06 C ATOM 1542 OE1 GLN A 868 44.647 -5.286 2.358 1.00 13.76 O ATOM 1543 NE2 GLN A 868 43.690 -3.549 1.288 1.00 13.68 N ATOM 1544 N ARG A 869 38.599 -4.270 -0.805 1.00 5.51 N ATOM 1545 CA ARG A 869 37.386 -3.484 -1.088 1.00 5.66 C ATOM 1546 C ARG A 869 36.121 -4.347 -1.034 1.00 4.62 C ATOM 1547 O ARG A 869 35.082 -3.930 -0.505 1.00 4.23 O ATOM 1548 CB ARG A 869 37.502 -2.825 -2.464 1.00 7.06 C ATOM 1549 CG ARG A 869 36.360 -1.891 -2.845 1.00 8.26 C ATOM 1550 CD ARG A 869 36.472 -0.583 -2.116 1.00 10.41 C ATOM 1551 NE ARG A 869 35.485 0.397 -2.557 1.00 10.07 N ATOM 1552 CZ ARG A 869 35.228 1.538 -1.930 1.00 11.48 C ATOM 1553 NH1 ARG A 869 35.880 1.852 -0.814 1.00 13.62 N ATOM 1554 NH2 ARG A 869 34.313 2.368 -2.409 1.00 11.75 N ATOM 1555 N PHE A 870 36.209 -5.548 -1.597 1.00 4.85 N ATOM 1556 CA PHE A 870 35.094 -6.490 -1.559 1.00 4.67 C ATOM 1557 C PHE A 870 34.754 -6.852 -0.116 1.00 5.10 C ATOM 1558 O PHE A 870 33.586 -6.940 0.239 1.00 5.68 O ATOM 1559 CB PHE A 870 35.430 -7.752 -2.358 1.00 4.40 C ATOM 1560 CG PHE A 870 34.345 -8.793 -2.345 1.00 4.57 C ATOM 1561 CD1 PHE A 870 33.274 -8.708 -3.217 1.00 4.92 C ATOM 1562 CD2 PHE A 870 34.403 -9.870 -1.469 1.00 5.05 C ATOM 1563 CE1 PHE A 870 32.274 -9.660 -3.212 1.00 4.44 C ATOM 1564 CE2 PHE A 870 33.395 -10.832 -1.460 1.00 4.54 C ATOM 1565 CZ PHE A 870 32.344 -10.733 -2.335 1.00 3.92 C ATOM 1566 N TYR A 871 35.774 -7.075 0.704 1.00 7.35 N ATOM 1567 CA TYR A 871 35.551 -7.425 2.104 1.00 9.04 C ATOM 1568 C TYR A 871 34.838 -6.270 2.809 1.00 8.23 C ATOM 1569 O TYR A 871 33.843 -6.478 3.507 1.00 6.61 O ATOM 1570 CB TYR A 871 36.871 -7.773 2.816 1.00 10.78 C ATOM 1571 CG TYR A 871 36.687 -8.017 4.299 1.00 14.13 C ATOM 1572 CD1 TYR A 871 36.809 -6.969 5.216 1.00 15.74 C ATOM 1573 CD2 TYR A 871 36.345 -9.277 4.785 1.00 15.80 C ATOM 1574 CE1 TYR A 871 36.619 -7.168 6.573 1.00 16.83 C ATOM 1575 CE2 TYR A 871 36.153 -9.490 6.159 1.00 17.73 C ATOM 1576 CZ TYR A 871 36.292 -8.429 7.044 1.00 17.90 C ATOM 1577 OH TYR A 871 36.103 -8.615 8.402 1.00 20.00 O ATOM 1578 N GLN A 872 35.343 -5.056 2.605 1.00 7.89 N ATOM 1579 CA GLN A 872 34.799 -3.875 3.273 1.00 9.32 C ATOM 1580 C GLN A 872 33.345 -3.609 2.890 1.00 8.67 C ATOM 1581 O GLN A 872 32.524 -3.314 3.762 1.00 8.23 O ATOM 1582 CB GLN A 872 35.633 -2.638 2.969 1.00 10.09 C ATOM 1583 CG GLN A 872 36.990 -2.660 3.625 1.00 12.16 C ATOM 1584 CD GLN A 872 37.845 -1.498 3.200 1.00 14.02 C ATOM 1585 OE1 GLN A 872 37.823 -1.090 2.036 1.00 15.67 O ATOM 1586 NE2 GLN A 872 38.612 -0.952 4.140 1.00 15.22 N ATOM 1587 N LEU A 873 33.037 -3.699 1.599 1.00 7.28 N ATOM 1588 CA LEU A 873 31.687 -3.410 1.132 1.00 7.07 C ATOM 1589 C LEU A 873 30.716 -4.507 1.571 1.00 7.80 C ATOM 1590 O LEU A 873 29.604 -4.208 1.993 1.00 7.57 O ATOM 1591 CB LEU A 873 31.642 -3.199 -0.382 1.00 7.46 C ATOM 1592 CG LEU A 873 32.340 -1.944 -0.932 1.00 7.83 C ATOM 1593 CD1 LEU A 873 32.138 -1.837 -2.446 1.00 5.61 C ATOM 1594 CD2 LEU A 873 31.841 -0.671 -0.244 1.00 7.41 C ATOM 1595 N THR A 874 31.140 -5.765 1.497 1.00 7.40 N ATOM 1596 CA THR A 874 30.292 -6.863 1.947 1.00 6.53 C ATOM 1597 C THR A 874 30.158 -6.898 3.482 1.00 7.02 C ATOM 1598 O THR A 874 29.120 -7.314 4.005 1.00 5.50 O ATOM 1599 CB THR A 874 30.799 -8.232 1.430 1.00 6.44 C ATOM 1600 OG1 THR A 874 32.170 -8.422 1.812 1.00 3.91 O ATOM 1601 CG2 THR A 874 30.652 -8.318 -0.085 1.00 5.53 C ATOM 1602 N LYS A 875 31.200 -6.479 4.200 1.00 8.43 N ATOM 1603 CA LYS A 875 31.113 -6.357 5.663 1.00 8.87 C ATOM 1604 C LYS A 875 30.111 -5.268 6.042 1.00 9.35 C ATOM 1605 O LYS A 875 29.375 -5.409 7.023 1.00 8.93 O ATOM 1606 CB LYS A 875 32.485 -6.067 6.300 1.00 10.85 C ATOM 1607 CG LYS A 875 32.529 -6.200 7.840 1.00 12.49 C ATOM 1608 CD LYS A 875 32.380 -7.661 8.283 1.00 13.75 C ATOM 1609 CE LYS A 875 32.414 -7.810 9.790 1.00 14.78 C ATOM 1610 NZ LYS A 875 31.923 -9.162 10.201 1.00 16.21 N ATOM 1611 N LEU A 876 30.091 -4.179 5.277 1.00 8.15 N ATOM 1612 CA LEU A 876 29.093 -3.125 5.474 1.00 8.08 C ATOM 1613 C LEU A 876 27.677 -3.697 5.333 1.00 8.10 C ATOM 1614 O LEU A 876 26.818 -3.424 6.165 1.00 6.07 O ATOM 1615 CB LEU A 876 29.334 -1.979 4.492 1.00 8.38 C ATOM 1616 CG LEU A 876 28.494 -0.702 4.541 1.00 9.94 C ATOM 1617 CD1 LEU A 876 29.132 0.373 3.669 1.00 10.41 C ATOM 1618 CD2 LEU A 876 27.067 -0.936 4.075 1.00 10.81 C ATOM 1619 N LEU A 877 27.431 -4.507 4.298 1.00 7.24 N ATOM 1620 CA LEU A 877 26.104 -5.116 4.134 1.00 6.94 C ATOM 1621 C LEU A 877 25.779 -6.026 5.331 1.00 6.60 C ATOM 1622 O LEU A 877 24.675 -5.952 5.859 1.00 7.17 O ATOM 1623 CB LEU A 877 25.960 -5.860 2.794 1.00 7.44 C ATOM 1624 CG LEU A 877 26.220 -5.024 1.531 1.00 7.77 C ATOM 1625 CD1 LEU A 877 26.158 -5.882 0.268 1.00 7.50 C ATOM 1626 CD2 LEU A 877 25.265 -3.836 1.420 1.00 8.54 C ATOM 1627 N ASP A 878 26.744 -6.846 5.768 1.00 6.26 N ATOM 1628 CA ASP A 878 26.576 -7.705 6.956 1.00 6.57 C ATOM 1629 C ASP A 878 26.197 -6.886 8.185 1.00 6.62 C ATOM 1630 O ASP A 878 25.316 -7.281 8.958 1.00 6.59 O ATOM 1631 CB ASP A 878 27.870 -8.470 7.289 1.00 6.49 C ATOM 1632 CG ASP A 878 28.097 -9.682 6.406 1.00 7.08 C ATOM 1633 OD1 ASP A 878 27.287 -9.947 5.498 1.00 6.32 O ATOM 1634 OD2 ASP A 878 29.106 -10.393 6.639 1.00 8.38 O ATOM 1635 N ASN A 879 26.896 -5.769 8.372 1.00 6.69 N ATOM 1636 CA ASN A 879 26.675 -4.885 9.518 1.00 9.05 C ATOM 1637 C ASN A 879 25.288 -4.233 9.492 1.00 9.01 C ATOM 1638 O ASN A 879 24.730 -3.907 10.538 1.00 9.01 O ATOM 1639 CB ASN A 879 27.781 -3.814 9.600 1.00 8.81 C ATOM 1640 CG ASN A 879 29.107 -4.368 10.095 1.00 9.49 C ATOM 1641 OD1 ASN A 879 29.177 -5.467 10.655 1.00 10.12 O ATOM 1642 ND2 ASN A 879 30.173 -3.595 9.906 1.00 10.62 N ATOM 1643 N LEU A 880 24.722 -4.072 8.301 1.00 9.60 N ATOM 1644 CA LEU A 880 23.397 -3.472 8.173 1.00 10.64 C ATOM 1645 C LEU A 880 22.301 -4.292 8.834 1.00 10.90 C ATOM 1646 O LEU A 880 21.298 -3.725 9.250 1.00 9.93 O ATOM 1647 CB LEU A 880 23.015 -3.229 6.712 1.00 10.91 C ATOM 1648 CG LEU A 880 23.095 -1.802 6.195 1.00 13.47 C ATOM 1649 CD1 LEU A 880 22.583 -1.783 4.750 1.00 12.85 C ATOM 1650 CD2 LEU A 880 22.306 -0.813 7.059 1.00 13.17 C ATOM 1651 N HIS A 881 22.478 -5.611 8.933 1.00 11.78 N ATOM 1652 CA HIS A 881 21.482 -6.453 9.606 1.00 11.39 C ATOM 1653 C HIS A 881 21.183 -5.944 11.020 1.00 12.48 C ATOM 1654 O HIS A 881 20.022 -5.864 11.411 1.00 12.29 O ATOM 1655 CB HIS A 881 21.907 -7.926 9.655 1.00 12.15 C ATOM 1656 CG HIS A 881 21.798 -8.645 8.340 1.00 12.71 C ATOM 1657 ND1 HIS A 881 20.627 -8.710 7.614 1.00 13.89 N ATOM 1658 CD2 HIS A 881 22.710 -9.365 7.643 1.00 13.55 C ATOM 1659 CE1 HIS A 881 20.828 -9.422 6.517 1.00 13.59 C ATOM 1660 NE2 HIS A 881 22.087 -9.826 6.508 1.00 13.20 N ATOM 1661 N ASP A 882 22.224 -5.573 11.764 1.00 12.95 N ATOM 1662 CA ASP A 882 22.071 -5.109 13.145 1.00 13.40 C ATOM 1663 C ASP A 882 21.411 -3.742 13.262 1.00 12.57 C ATOM 1664 O ASP A 882 20.537 -3.548 14.110 1.00 10.04 O ATOM 1665 CB ASP A 882 23.425 -5.053 13.843 1.00 16.77 C ATOM 1666 CG ASP A 882 24.044 -6.415 14.013 1.00 19.43 C ATOM 1667 OD1 ASP A 882 23.308 -7.377 14.345 1.00 19.98 O ATOM 1668 OD2 ASP A 882 25.273 -6.518 13.783 1.00 22.66 O ATOM 1669 N LEU A 883 21.849 -2.799 12.427 1.00 10.70 N ATOM 1670 CA LEU A 883 21.255 -1.455 12.374 1.00 10.64 C ATOM 1671 C LEU A 883 19.771 -1.560 12.038 1.00 9.56 C ATOM 1672 O LEU A 883 18.911 -0.984 12.718 1.00 8.74 O ATOM 1673 CB LEU A 883 21.983 -0.596 11.327 1.00 11.24 C ATOM 1674 CG LEU A 883 21.670 0.904 11.272 1.00 13.03 C ATOM 1675 CD1 LEU A 883 22.800 1.677 10.603 1.00 13.42 C ATOM 1676 CD2 LEU A 883 20.368 1.175 10.555 1.00 12.76 C ATOM 1677 N VAL A 884 19.472 -2.334 11.006 1.00 7.20 N ATOM 1678 CA VAL A 884 18.089 -2.541 10.562 1.00 7.37 C ATOM 1679 C VAL A 884 17.199 -3.178 11.637 1.00 7.43 C ATOM 1680 O VAL A 884 16.017 -2.838 11.757 1.00 5.19 O ATOM 1681 CB VAL A 884 18.054 -3.335 9.232 1.00 7.92 C ATOM 1682 CG1 VAL A 884 16.653 -3.867 8.926 1.00 6.59 C ATOM 1683 CG2 VAL A 884 18.545 -2.443 8.107 1.00 8.75 C ATOM 1684 N LYS A 885 17.756 -4.076 12.441 1.00 7.74 N ATOM 1685 CA LYS A 885 17.012 -4.610 13.563 1.00 9.07 C ATOM 1686 C LYS A 885 16.521 -3.499 14.514 1.00 7.81 C ATOM 1687 O LYS A 885 15.381 -3.546 14.968 1.00 5.49 O ATOM 1688 CB LYS A 885 17.847 -5.651 14.307 1.00 11.43 C ATOM 1689 CG LYS A 885 17.110 -6.345 15.410 1.00 13.80 C ATOM 1690 CD LYS A 885 17.902 -7.540 15.901 1.00 15.55 C ATOM 1691 CE LYS A 885 17.297 -8.115 17.152 1.00 16.62 C ATOM 1692 NZ LYS A 885 17.823 -9.487 17.417 1.00 17.89 N ATOM 1693 N GLN A 886 17.356 -2.492 14.784 1.00 7.86 N ATOM 1694 CA GLN A 886 16.946 -1.358 15.646 1.00 10.27 C ATOM 1695 C GLN A 886 15.795 -0.550 15.029 1.00 8.51 C ATOM 1696 O GLN A 886 14.904 -0.072 15.746 1.00 9.70 O ATOM 1697 CB GLN A 886 18.120 -0.413 15.942 1.00 11.63 C ATOM 1698 CG GLN A 886 19.259 -1.017 16.760 1.00 14.56 C ATOM 1699 CD GLN A 886 20.503 -0.125 16.758 1.00 17.03 C ATOM 1700 OE1 GLN A 886 20.527 0.931 17.390 1.00 19.61 O ATOM 1701 NE2 GLN A 886 21.540 -0.551 16.037 1.00 19.81 N ATOM 1702 N LEU A 887 15.828 -0.413 13.706 1.00 7.40 N ATOM 1703 CA LEU A 887 14.797 0.295 12.948 1.00 5.78 C ATOM 1704 C LEU A 887 13.501 -0.504 12.913 1.00 4.78 C ATOM 1705 O LEU A 887 12.418 0.060 13.053 1.00 4.74 O ATOM 1706 CB LEU A 887 15.268 0.586 11.511 1.00 6.96 C ATOM 1707 CG LEU A 887 16.570 1.381 11.318 1.00 8.70 C ATOM 1708 CD1 LEU A 887 16.737 1.786 9.859 1.00 9.38 C ATOM 1709 CD2 LEU A 887 16.636 2.590 12.204 1.00 8.26 C ATOM 1710 N HIS A 888 13.607 -1.817 12.734 1.00 4.52 N ATOM 1711 CA HIS A 888 12.431 -2.690 12.757 1.00 4.82 C ATOM 1712 C HIS A 888 11.701 -2.604 14.111 1.00 4.24 C ATOM 1713 O HIS A 888 10.476 -2.588 14.158 1.00 4.23 O ATOM 1714 CB HIS A 888 12.813 -4.155 12.512 1.00 4.88 C ATOM 1715 CG HIS A 888 12.983 -4.535 11.069 1.00 5.35 C ATOM 1716 ND1 HIS A 888 13.816 -5.562 10.677 1.00 5.99 N ATOM 1717 CD2 HIS A 888 12.423 -4.056 9.932 1.00 6.64 C ATOM 1718 CE1 HIS A 888 13.770 -5.693 9.363 1.00 5.55 C ATOM 1719 NE2 HIS A 888 12.928 -4.794 8.886 1.00 6.79 N ATOM 1720 N LEU A 889 12.456 -2.603 15.209 1.00 5.25 N ATOM 1721 CA LEU A 889 11.871 -2.549 16.553 1.00 5.04 C ATOM 1722 C LEU A 889 11.152 -1.218 16.782 1.00 5.24 C ATOM 1723 O LEU A 889 10.013 -1.198 17.248 1.00 4.88 O ATOM 1724 CB LEU A 889 12.941 -2.773 17.630 1.00 5.93 C ATOM 1725 CG LEU A 889 12.479 -2.830 19.094 1.00 6.50 C ATOM 1726 CD1 LEU A 889 11.385 -3.857 19.330 1.00 7.30 C ATOM 1727 CD2 LEU A 889 13.672 -3.106 20.005 1.00 6.74 C ATOM 1728 N TYR A 890 11.826 -0.120 16.450 1.00 5.66 N ATOM 1729 CA TYR A 890 11.238 1.216 16.537 1.00 5.55 C ATOM 1730 C TYR A 890 9.943 1.283 15.732 1.00 5.00 C ATOM 1731 O TYR A 890 8.921 1.779 16.213 1.00 5.32 O ATOM 1732 CB TYR A 890 12.214 2.274 16.018 1.00 5.97 C ATOM 1733 CG TYR A 890 11.772 3.685 16.344 1.00 7.35 C ATOM 1734 CD1 TYR A 890 10.855 4.348 15.539 1.00 8.02 C ATOM 1735 CD2 TYR A 890 12.252 4.344 17.468 1.00 6.71 C ATOM 1736 CE1 TYR A 890 10.432 5.637 15.845 1.00 9.05 C ATOM 1737 CE2 TYR A 890 11.833 5.628 17.780 1.00 8.02 C ATOM 1738 CZ TYR A 890 10.927 6.268 16.964 1.00 8.67 C ATOM 1739 OH TYR A 890 10.504 7.541 17.254 1.00 11.11 O ATOM 1740 N CYS A 891 10.007 0.780 14.506 1.00 5.14 N ATOM 1741 CA CYS A 891 8.875 0.796 13.601 1.00 5.25 C ATOM 1742 C CYS A 891 7.708 0.006 14.180 1.00 4.94 C ATOM 1743 O CYS A 891 6.578 0.494 14.211 1.00 4.18 O ATOM 1744 CB CYS A 891 9.286 0.226 12.237 1.00 7.20 C ATOM 1745 SG CYS A 891 7.938 0.068 11.076 1.00 7.63 S ATOM 1746 N LEU A 892 7.986 -1.202 14.664 1.00 4.43 N ATOM 1747 CA LEU A 892 6.930 -2.053 15.198 1.00 4.70 C ATOM 1748 C LEU A 892 6.315 -1.430 16.442 1.00 4.19 C ATOM 1749 O LEU A 892 5.096 -1.401 16.572 1.00 3.80 O ATOM 1750 CB LEU A 892 7.446 -3.464 15.505 1.00 5.44 C ATOM 1751 CG LEU A 892 6.364 -4.439 15.952 1.00 6.46 C ATOM 1752 CD1 LEU A 892 5.248 -4.468 14.915 1.00 6.94 C ATOM 1753 CD2 LEU A 892 6.935 -5.843 16.190 1.00 6.06 C ATOM 1754 N ASN A 893 7.152 -0.915 17.345 1.00 4.12 N ATOM 1755 CA ASN A 893 6.640 -0.215 18.523 1.00 5.32 C ATOM 1756 C ASN A 893 5.762 0.970 18.116 1.00 5.13 C ATOM 1757 O ASN A 893 4.681 1.156 18.667 1.00 3.77 O ATOM 1758 CB ASN A 893 7.781 0.275 19.425 1.00 5.87 C ATOM 1759 CG ASN A 893 8.427 -0.847 20.231 1.00 7.05 C ATOM 1760 OD1 ASN A 893 9.633 -0.826 20.483 1.00 9.18 O ATOM 1761 ND2 ASN A 893 7.638 -1.823 20.629 1.00 4.93 N ATOM 1762 N THR A 894 6.220 1.757 17.140 1.00 5.78 N ATOM 1763 CA THR A 894 5.454 2.919 16.697 1.00 6.85 C ATOM 1764 C THR A 894 4.103 2.503 16.110 1.00 7.31 C ATOM 1765 O THR A 894 3.099 3.182 16.318 1.00 8.42 O ATOM 1766 CB THR A 894 6.227 3.759 15.678 1.00 6.70 C ATOM 1767 OG1 THR A 894 7.450 4.204 16.269 1.00 7.31 O ATOM 1768 CG2 THR A 894 5.415 4.993 15.255 1.00 7.14 C ATOM 1769 N PHE A 895 4.095 1.382 15.392 1.00 8.59 N ATOM 1770 CA PHE A 895 2.889 0.852 14.762 1.00 9.86 C ATOM 1771 C PHE A 895 1.857 0.463 15.813 1.00 9.21 C ATOM 1772 O PHE A 895 0.704 0.892 15.757 1.00 7.45 O ATOM 1773 CB PHE A 895 3.253 -0.358 13.893 1.00 12.06 C ATOM 1774 CG PHE A 895 2.081 -1.003 13.214 1.00 14.60 C ATOM 1775 CD1 PHE A 895 1.526 -0.440 12.069 1.00 16.71 C ATOM 1776 CD2 PHE A 895 1.545 -2.187 13.699 1.00 16.20 C ATOM 1777 CE1 PHE A 895 0.446 -1.050 11.420 1.00 17.80 C ATOM 1778 CE2 PHE A 895 0.461 -2.798 13.062 1.00 17.68 C ATOM 1779 CZ PHE A 895 -0.089 -2.227 11.923 1.00 17.76 C ATOM 1780 N ILE A 896 2.296 -0.336 16.777 1.00 8.74 N ATOM 1781 CA ILE A 896 1.445 -0.792 17.876 1.00 9.45 C ATOM 1782 C ILE A 896 0.824 0.381 18.624 1.00 10.16 C ATOM 1783 O ILE A 896 -0.348 0.344 18.992 1.00 10.65 O ATOM 1784 CB ILE A 896 2.248 -1.676 18.852 1.00 9.05 C ATOM 1785 CG1 ILE A 896 2.535 -3.029 18.200 1.00 9.10 C ATOM 1786 CG2 ILE A 896 1.486 -1.878 20.175 1.00 8.55 C ATOM 1787 CD1 ILE A 896 3.664 -3.782 18.839 1.00 10.02 C ATOM 1788 N GLN A 897 1.608 1.434 18.815 1.00 12.48 N ATOM 1789 CA GLN A 897 1.174 2.596 19.584 1.00 14.67 C ATOM 1790 C GLN A 897 0.671 3.760 18.707 1.00 15.67 C ATOM 1791 O GLN A 897 0.524 4.887 19.190 1.00 16.99 O ATOM 1792 CB GLN A 897 2.333 3.055 20.476 1.00 16.32 C ATOM 1793 CG GLN A 897 2.781 1.990 21.496 1.00 17.87 C ATOM 1794 CD GLN A 897 4.194 2.221 22.015 1.00 19.17 C ATOM 1795 OE1 GLN A 897 4.983 1.283 22.146 1.00 19.88 O ATOM 1796 NE2 GLN A 897 4.521 3.475 22.301 1.00 20.66 N ATOM 1797 N SER A 898 0.364 3.482 17.440 1.00 16.31 N ATOM 1798 CA SER A 898 0.080 4.543 16.462 1.00 17.61 C ATOM 1799 C SER A 898 -1.148 5.392 16.799 1.00 18.86 C ATOM 1800 O SER A 898 -1.159 6.596 16.530 1.00 16.98 O ATOM 1801 CB SER A 898 -0.063 3.960 15.052 1.00 17.64 C ATOM 1802 OG SER A 898 -0.985 2.893 15.030 1.00 17.50 O ATOM 1803 N ARG A 899 -2.172 4.771 17.383 1.00 20.71 N ATOM 1804 CA ARG A 899 -3.371 5.508 17.785 1.00 23.47 C ATOM 1805 C ARG A 899 -3.063 6.518 18.903 1.00 23.58 C ATOM 1806 O ARG A 899 -3.496 7.672 18.838 1.00 23.70 O ATOM 1807 CB ARG A 899 -4.489 4.552 18.223 1.00 25.61 C ATOM 1808 CG ARG A 899 -5.113 3.721 17.087 1.00 27.66 C ATOM 1809 CD ARG A 899 -6.618 3.528 17.332 1.00 29.85 C ATOM 1810 NE ARG A 899 -7.272 2.552 16.453 1.00 31.83 N ATOM 1811 CZ ARG A 899 -7.583 2.746 15.166 1.00 33.69 C ATOM 1812 NH1 ARG A 899 -7.287 3.889 14.544 1.00 34.12 N ATOM 1813 NH2 ARG A 899 -8.187 1.771 14.484 1.00 34.03 N ATOM 1814 N ALA A 900 -2.312 6.079 19.912 1.00 23.48 N ATOM 1815 CA ALA A 900 -1.937 6.938 21.036 1.00 23.88 C ATOM 1816 C ALA A 900 -1.040 8.093 20.589 1.00 24.48 C ATOM 1817 O ALA A 900 -1.251 9.238 20.996 1.00 24.53 O ATOM 1818 CB ALA A 900 -1.246 6.124 22.126 1.00 24.02 C ATOM 1819 N LEU A 901 -0.059 7.786 19.739 1.00 24.56 N ATOM 1820 CA LEU A 901 0.924 8.772 19.269 1.00 25.05 C ATOM 1821 C LEU A 901 0.410 9.675 18.138 1.00 24.85 C ATOM 1822 O LEU A 901 1.114 10.604 17.721 1.00 24.99 O ATOM 1823 CB LEU A 901 2.201 8.059 18.797 1.00 25.48 C ATOM 1824 CG LEU A 901 2.949 7.212 19.832 1.00 25.73 C ATOM 1825 CD1 LEU A 901 4.052 6.397 19.151 1.00 25.51 C ATOM 1826 CD2 LEU A 901 3.518 8.093 20.944 1.00 25.92 C ATOM 1827 N SER A 902 -0.799 9.395 17.644 1.00 24.65 N ATOM 1828 CA SER A 902 -1.417 10.157 16.554 1.00 24.80 C ATOM 1829 C SER A 902 -0.567 10.092 15.278 1.00 25.44 C ATOM 1830 O SER A 902 -0.399 11.088 14.568 1.00 25.34 O ATOM 1831 CB SER A 902 -1.672 11.609 16.977 1.00 25.02 C ATOM 1832 OG SER A 902 -2.354 11.659 18.220 1.00 24.82 O ATOM 1833 N VAL A 903 -0.036 8.902 15.007 1.00 25.44 N ATOM 1834 CA VAL A 903 0.757 8.637 13.816 1.00 25.63 C ATOM 1835 C VAL A 903 -0.068 7.751 12.887 1.00 26.04 C ATOM 1836 O VAL A 903 -0.664 6.771 13.334 1.00 26.55 O ATOM 1837 CB VAL A 903 2.074 7.920 14.180 1.00 25.36 C ATOM 1838 CG1 VAL A 903 2.898 7.639 12.929 1.00 25.68 C ATOM 1839 CG2 VAL A 903 2.876 8.751 15.170 1.00 25.42 C ATOM 1840 N GLU A 904 -0.111 8.104 11.604 1.00 26.71 N ATOM 1841 CA GLU A 904 -0.844 7.318 10.599 1.00 27.04 C ATOM 1842 C GLU A 904 0.117 6.409 9.848 1.00 26.30 C ATOM 1843 O GLU A 904 1.201 6.842 9.448 1.00 25.38 O ATOM 1844 CB GLU A 904 -1.549 8.225 9.581 1.00 27.60 C ATOM 1845 CG GLU A 904 -2.282 9.426 10.166 1.00 28.21 C ATOM 1846 CD GLU A 904 -2.659 10.449 9.100 1.00 28.68 C ATOM 1847 OE1 GLU A 904 -2.884 10.039 7.936 1.00 28.78 O ATOM 1848 OE2 GLU A 904 -2.719 11.658 9.429 1.00 28.03 O ATOM 1849 N PHE A 905 -0.297 5.158 9.653 1.00 25.87 N ATOM 1850 CA PHE A 905 0.438 4.191 8.848 1.00 25.75 C ATOM 1851 C PHE A 905 -0.415 3.815 7.632 1.00 26.86 C ATOM 1852 O PHE A 905 -1.521 3.310 7.797 1.00 25.52 O ATOM 1853 CB PHE A 905 0.771 2.945 9.678 1.00 25.04 C ATOM 1854 CG PHE A 905 1.967 3.120 10.578 1.00 23.55 C ATOM 1855 CD1 PHE A 905 1.820 3.641 11.852 1.00 22.20 C ATOM 1856 CD2 PHE A 905 3.242 2.769 10.139 1.00 22.97 C ATOM 1857 CE1 PHE A 905 2.920 3.813 12.684 1.00 21.99 C ATOM 1858 CE2 PHE A 905 4.352 2.938 10.972 1.00 22.15 C ATOM 1859 CZ PHE A 905 4.183 3.461 12.248 1.00 21.66 C ATOM 1860 N PRO A 906 0.082 4.092 6.407 1.00 29.02 N ATOM 1861 CA PRO A 906 -0.654 3.771 5.177 1.00 30.50 C ATOM 1862 C PRO A 906 -0.830 2.276 4.901 1.00 32.49 C ATOM 1863 O PRO A 906 -0.239 1.441 5.586 1.00 33.53 O ATOM 1864 CB PRO A 906 0.210 4.407 4.080 1.00 30.11 C ATOM 1865 CG PRO A 906 0.942 5.484 4.754 1.00 30.02 C ATOM 1866 CD PRO A 906 1.239 4.963 6.121 1.00 29.40 C ATOM 1867 N GLU A 907 -1.620 1.969 3.872 1.00 34.53 N ATOM 1868 CA GLU A 907 -2.031 0.597 3.530 1.00 35.93 C ATOM 1869 C GLU A 907 -0.878 -0.407 3.348 1.00 36.56 C ATOM 1870 O GLU A 907 -0.815 -1.415 4.055 1.00 36.46 O ATOM 1871 CB GLU A 907 -2.890 0.626 2.253 1.00 37.13 C ATOM 1872 CG GLU A 907 -3.543 -0.709 1.873 1.00 38.01 C ATOM 1873 CD GLU A 907 -4.186 -0.691 0.488 1.00 38.43 C ATOM 1874 OE1 GLU A 907 -4.550 0.402 -0.001 1.00 38.42 O ATOM 1875 OE2 GLU A 907 -4.329 -1.781 -0.108 1.00 38.81 O ATOM 1876 N MET A 908 0.015 -0.139 2.395 1.00 37.23 N ATOM 1877 CA MET A 908 1.090 -1.086 2.061 1.00 38.22 C ATOM 1878 C MET A 908 2.115 -1.226 3.187 1.00 37.76 C ATOM 1879 O MET A 908 2.705 -2.301 3.365 1.00 37.06 O ATOM 1880 CB MET A 908 1.795 -0.706 0.751 1.00 39.50 C ATOM 1881 CG MET A 908 0.879 -0.670 -0.472 1.00 40.72 C ATOM 1882 SD MET A 908 0.010 -2.230 -0.760 1.00 42.25 S ATOM 1883 CE MET A 908 1.384 -3.315 -1.176 1.00 42.10 C ATOM 1884 N MET A 909 2.321 -0.145 3.939 1.00 37.40 N ATOM 1885 CA MET A 909 3.170 -0.178 5.128 1.00 37.25 C ATOM 1886 C MET A 909 2.597 -1.111 6.188 1.00 36.35 C ATOM 1887 O MET A 909 3.303 -1.985 6.700 1.00 35.84 O ATOM 1888 CB MET A 909 3.145 1.136 5.932 0.00 44.47 C ATOM 1889 CG MET A 909 3.623 1.090 7.397 0.00 45.95 C ATOM 1890 SD MET A 909 5.007 -0.012 7.828 0.00 48.61 S ATOM 1891 CE MET A 909 4.733 -0.263 9.579 0.00 46.93 C ATOM 1892 N SER A 910 1.313 -0.926 6.490 1.00 35.60 N ATOM 1893 CA SER A 910 0.612 -1.729 7.487 1.00 35.08 C ATOM 1894 C SER A 910 0.638 -3.228 7.192 1.00 34.66 C ATOM 1895 O SER A 910 0.700 -4.026 8.125 1.00 34.85 O ATOM 1896 CB SER A 910 -0.833 -1.256 7.618 1.00 35.09 C ATOM 1897 OG SER A 910 -0.863 0.134 7.896 1.00 35.47 O ATOM 1898 N GLU A 911 0.595 -3.615 5.913 1.00 34.09 N ATOM 1899 CA AGLU A 911 0.594 -5.038 5.558 0.50 33.82 C ATOM 1900 CA BGLU A 911 0.592 -5.039 5.549 0.50 34.00 C ATOM 1901 C GLU A 911 1.994 -5.644 5.529 1.00 33.51 C ATOM 1902 O GLU A 911 2.169 -6.800 5.894 1.00 33.72 O ATOM 1903 CB AGLU A 911 -0.107 -5.289 4.225 0.50 33.65 C ATOM 1904 CB BGLU A 911 -0.123 -5.286 4.213 0.50 34.09 C ATOM 1905 CG AGLU A 911 -0.420 -6.765 4.013 0.50 33.23 C ATOM 1906 CG BGLU A 911 0.509 -4.645 2.989 0.50 33.90 C ATOM 1907 CD AGLU A 911 -0.879 -7.443 5.298 0.50 32.93 C ATOM 1908 CD BGLU A 911 -0.170 -5.078 1.702 0.50 34.12 C ATOM 1909 OE1AGLU A 911 -0.253 -8.447 5.699 0.50 32.20 O ATOM 1910 OE1BGLU A 911 -1.106 -4.381 1.257 0.50 34.28 O ATOM 1911 OE2AGLU A 911 -1.853 -6.960 5.916 0.50 32.41 O ATOM 1912 OE2BGLU A 911 0.217 -6.126 1.145 0.50 33.72 O ATOM 1913 N VAL A 912 2.992 -4.874 5.097 1.00 33.17 N ATOM 1914 CA VAL A 912 4.372 -5.382 5.128 1.00 33.16 C ATOM 1915 C VAL A 912 4.832 -5.592 6.575 1.00 33.05 C ATOM 1916 O VAL A 912 5.561 -6.544 6.867 1.00 33.67 O ATOM 1917 CB VAL A 912 5.394 -4.497 4.352 1.00 32.32 C ATOM 1918 CG1 VAL A 912 5.162 -4.611 2.844 1.00 31.73 C ATOM 1919 CG2 VAL A 912 5.351 -3.049 4.820 1.00 31.67 C ATOM 1920 N ILE A 913 4.386 -4.724 7.478 1.00 32.92 N ATOM 1921 CA ILE A 913 4.703 -4.880 8.900 1.00 33.13 C ATOM 1922 C ILE A 913 3.905 -6.028 9.506 1.00 32.87 C ATOM 1923 O ILE A 913 4.464 -6.895 10.187 1.00 33.02 O ATOM 1924 CB ILE A 913 4.500 -3.559 9.714 1.00 34.29 C ATOM 1925 CG1 ILE A 913 4.596 -3.816 11.225 1.00 34.58 C ATOM 1926 CG2 ILE A 913 3.174 -2.900 9.401 1.00 34.56 C ATOM 1927 CD1 ILE A 913 3.370 -4.487 11.835 1.00 35.28 C ATOM 1928 N ALA A 914 2.598 -6.027 9.261 1.00 31.49 N ATOM 1929 CA ALA A 914 1.738 -7.128 9.667 1.00 29.69 C ATOM 1930 C ALA A 914 2.315 -8.455 9.185 1.00 28.55 C ATOM 1931 O ALA A 914 2.380 -9.425 9.941 1.00 27.29 O ATOM 1932 CB ALA A 914 0.323 -6.929 9.102 1.00 29.94 C ATOM 1933 N ALA A 915 2.763 -8.472 7.929 1.00 26.84 N ATOM 1934 CA ALA A 915 3.108 -9.717 7.240 1.00 25.20 C ATOM 1935 C ALA A 915 4.411 -10.374 7.696 1.00 24.00 C ATOM 1936 O ALA A 915 4.568 -11.587 7.501 1.00 23.68 O ATOM 1937 CB ALA A 915 3.145 -9.497 5.726 1.00 25.34 C ATOM 1938 N GLN A 916 5.351 -9.607 8.261 1.00 20.45 N ATOM 1939 CA GLN A 916 6.649 -10.188 8.625 1.00 18.77 C ATOM 1940 C GLN A 916 7.417 -9.605 9.815 1.00 15.49 C ATOM 1941 O GLN A 916 8.351 -10.257 10.282 1.00 14.39 O ATOM 1942 CB GLN A 916 7.616 -10.179 7.419 1.00 19.04 C ATOM 1943 CG GLN A 916 7.155 -10.855 6.128 1.00 20.40 C ATOM 1944 CD GLN A 916 6.846 -12.339 6.259 1.00 21.29 C ATOM 1945 OE1 GLN A 916 7.173 -12.986 7.258 1.00 21.79 O ATOM 1946 NE2 GLN A 916 6.193 -12.885 5.238 1.00 22.56 N ATOM 1947 N LEU A 917 7.093 -8.408 10.305 1.00 13.83 N ATOM 1948 CA LEU A 917 8.009 -7.754 11.268 1.00 13.22 C ATOM 1949 C LEU A 917 8.266 -8.561 12.548 1.00 11.29 C ATOM 1950 O LEU A 917 9.419 -8.673 12.980 1.00 12.02 O ATOM 1951 CB LEU A 917 7.568 -6.323 11.633 1.00 14.12 C ATOM 1952 CG LEU A 917 8.031 -5.203 10.708 1.00 15.14 C ATOM 1953 CD1 LEU A 917 7.936 -3.867 11.435 1.00 15.89 C ATOM 1954 CD2 LEU A 917 9.453 -5.436 10.194 1.00 15.57 C ATOM 1955 N PRO A 918 7.211 -9.117 13.159 1.00 9.90 N ATOM 1956 CA PRO A 918 7.452 -9.924 14.363 1.00 9.14 C ATOM 1957 C PRO A 918 8.354 -11.129 14.094 1.00 7.95 C ATOM 1958 O PRO A 918 9.249 -11.407 14.882 1.00 7.20 O ATOM 1959 CB PRO A 918 6.055 -10.380 14.758 1.00 8.41 C ATOM 1960 CG PRO A 918 5.161 -9.303 14.237 1.00 9.00 C ATOM 1961 CD PRO A 918 5.770 -8.871 12.951 1.00 10.11 C ATOM 1962 N LYS A 919 8.113 -11.818 12.980 1.00 7.59 N ATOM 1963 CA LYS A 919 8.912 -12.975 12.571 1.00 8.12 C ATOM 1964 C LYS A 919 10.377 -12.609 12.343 1.00 6.42 C ATOM 1965 O LYS A 919 11.272 -13.380 12.692 1.00 5.55 O ATOM 1966 CB LYS A 919 8.315 -13.593 11.300 1.00 10.21 C ATOM 1967 CG LYS A 919 8.983 -14.859 10.803 1.00 12.63 C ATOM 1968 CD LYS A 919 8.178 -15.453 9.636 1.00 13.88 C ATOM 1969 CE LYS A 919 8.830 -16.705 9.071 1.00 15.43 C ATOM 1970 NZ LYS A 919 8.031 -17.338 7.973 1.00 15.97 N ATOM 1971 N ILE A 920 10.608 -11.437 11.752 1.00 6.48 N ATOM 1972 CA ILE A 920 11.954 -10.960 11.449 1.00 7.09 C ATOM 1973 C ILE A 920 12.687 -10.583 12.724 1.00 8.44 C ATOM 1974 O ILE A 920 13.822 -11.004 12.949 1.00 6.17 O ATOM 1975 CB ILE A 920 11.916 -9.749 10.487 1.00 8.39 C ATOM 1976 CG1 ILE A 920 11.425 -10.181 9.106 1.00 8.14 C ATOM 1977 CG2 ILE A 920 13.292 -9.109 10.374 1.00 8.64 C ATOM 1978 CD1 ILE A 920 10.958 -9.010 8.223 1.00 9.11 C ATOM 1979 N LEU A 921 12.016 -9.809 13.574 1.00 9.01 N ATOM 1980 CA LEU A 921 12.558 -9.437 14.879 1.00 9.84 C ATOM 1981 C LEU A 921 12.888 -10.648 15.741 1.00 10.52 C ATOM 1982 O LEU A 921 13.898 -10.657 16.446 1.00 12.14 O ATOM 1983 CB LEU A 921 11.576 -8.527 15.624 1.00 10.30 C ATOM 1984 CG LEU A 921 11.639 -7.041 15.303 1.00 9.83 C ATOM 1985 CD1 LEU A 921 10.597 -6.315 16.126 1.00 11.88 C ATOM 1986 CD2 LEU A 921 13.037 -6.484 15.591 1.00 11.17 C ATOM 1987 N ALA A 922 12.036 -11.671 15.682 1.00 9.24 N ATOM 1988 CA ALA A 922 12.243 -12.889 16.448 1.00 9.94 C ATOM 1989 C ALA A 922 13.438 -13.707 15.952 1.00 10.37 C ATOM 1990 O ALA A 922 13.856 -14.650 16.618 1.00 10.63 O ATOM 1991 CB ALA A 922 10.973 -13.744 16.435 1.00 9.38 C ATOM 1992 N GLY A 923 13.981 -13.348 14.795 1.00 10.68 N ATOM 1993 CA GLY A 923 15.088 -14.086 14.194 1.00 10.75 C ATOM 1994 C GLY A 923 14.637 -15.385 13.548 1.00 10.04 C ATOM 1995 O GLY A 923 15.434 -16.309 13.393 1.00 10.90 O ATOM 1996 N MET A 924 13.362 -15.458 13.160 1.00 9.34 N ATOM 1997 CA MET A 924 12.810 -16.654 12.516 1.00 9.71 C ATOM 1998 C MET A 924 12.880 -16.534 10.996 1.00 8.63 C ATOM 1999 O MET A 924 11.947 -16.890 10.286 1.00 9.08 O ATOM 2000 CB MET A 924 11.376 -16.895 12.987 1.00 11.26 C ATOM 2001 CG MET A 924 11.291 -17.191 14.451 1.00 12.96 C ATOM 2002 SD MET A 924 12.257 -18.641 14.885 1.00 15.62 S ATOM 2003 CE MET A 924 11.217 -19.933 14.208 1.00 15.62 C ATOM 2004 N VAL A 925 14.014 -16.024 10.524 1.00 7.11 N ATOM 2005 CA VAL A 925 14.356 -15.952 9.111 1.00 7.49 C ATOM 2006 C VAL A 925 15.855 -16.224 9.047 1.00 8.25 C ATOM 2007 O VAL A 925 16.498 -16.381 10.087 1.00 6.58 O ATOM 2008 CB VAL A 925 14.066 -14.561 8.513 1.00 7.50 C ATOM 2009 CG1 VAL A 925 12.584 -14.214 8.640 1.00 6.95 C ATOM 2010 CG2 VAL A 925 14.933 -13.499 9.177 1.00 7.62 C ATOM 2011 N LYS A 926 16.405 -16.296 7.838 1.00 9.14 N ATOM 2012 CA LYS A 926 17.822 -16.568 7.651 1.00 10.13 C ATOM 2013 C LYS A 926 18.510 -15.368 7.009 1.00 9.75 C ATOM 2014 O LYS A 926 18.411 -15.174 5.785 1.00 7.79 O ATOM 2015 CB LYS A 926 18.015 -17.812 6.779 1.00 13.06 C ATOM 2016 CG LYS A 926 19.471 -18.151 6.502 1.00 15.34 C ATOM 2017 CD LYS A 926 19.701 -19.656 6.409 1.00 18.34 C ATOM 2018 CE LYS A 926 18.975 -20.283 5.224 1.00 19.40 C ATOM 2019 NZ LYS A 926 18.641 -21.704 5.510 1.00 21.23 N ATOM 2020 N PRO A 927 19.198 -14.552 7.828 1.00 9.36 N ATOM 2021 CA PRO A 927 20.044 -13.516 7.253 1.00 9.93 C ATOM 2022 C PRO A 927 21.197 -14.167 6.501 1.00 10.54 C ATOM 2023 O PRO A 927 21.785 -15.126 7.002 1.00 10.99 O ATOM 2024 CB PRO A 927 20.560 -12.742 8.473 1.00 10.43 C ATOM 2025 CG PRO A 927 19.659 -13.116 9.608 1.00 11.24 C ATOM 2026 CD PRO A 927 19.165 -14.494 9.303 1.00 10.82 C ATOM 2027 N LEU A 928 21.489 -13.682 5.299 1.00 10.27 N ATOM 2028 CA LEU A 928 22.617 -14.201 4.536 1.00 11.89 C ATOM 2029 C LEU A 928 23.814 -13.317 4.863 1.00 12.96 C ATOM 2030 O LEU A 928 23.733 -12.091 4.788 1.00 15.28 O ATOM 2031 CB LEU A 928 22.299 -14.237 3.042 1.00 11.46 C ATOM 2032 CG LEU A 928 21.035 -15.033 2.682 1.00 11.14 C ATOM 2033 CD1 LEU A 928 20.790 -15.070 1.171 1.00 11.92 C ATOM 2034 CD2 LEU A 928 21.115 -16.454 3.242 1.00 11.87 C ATOM 2035 N LEU A 929 24.897 -13.938 5.313 1.00 11.00 N ATOM 2036 CA LEU A 929 26.091 -13.196 5.669 1.00 9.94 C ATOM 2037 C LEU A 929 27.166 -13.522 4.658 1.00 10.80 C ATOM 2038 O LEU A 929 27.293 -14.667 4.218 1.00 9.76 O ATOM 2039 CB LEU A 929 26.568 -13.565 7.076 1.00 9.00 C ATOM 2040 CG LEU A 929 25.607 -13.225 8.218 1.00 7.97 C ATOM 2041 CD1 LEU A 929 26.149 -13.715 9.560 1.00 7.80 C ATOM 2042 CD2 LEU A 929 25.328 -11.750 8.253 1.00 7.95 C ATOM 2043 N PHE A 930 27.928 -12.503 4.286 1.00 11.67 N ATOM 2044 CA PHE A 930 29.106 -12.693 3.456 1.00 12.27 C ATOM 2045 C PHE A 930 30.283 -13.216 4.278 1.00 13.77 C ATOM 2046 O PHE A 930 31.145 -13.902 3.740 1.00 11.59 O ATOM 2047 CB PHE A 930 29.460 -11.385 2.755 1.00 11.82 C ATOM 2048 CG PHE A 930 28.399 -10.923 1.799 1.00 10.89 C ATOM 2049 CD1 PHE A 930 27.477 -9.954 2.171 1.00 10.56 C ATOM 2050 CD2 PHE A 930 28.306 -11.483 0.533 1.00 11.53 C ATOM 2051 CE1 PHE A 930 26.488 -9.545 1.295 1.00 11.25 C ATOM 2052 CE2 PHE A 930 27.328 -11.077 -0.352 1.00 11.61 C ATOM 2053 CZ PHE A 930 26.415 -10.105 0.028 1.00 11.77 C ATOM 2054 N HIS A 931 30.300 -12.907 5.579 1.00 15.98 N ATOM 2055 CA HIS A 931 31.405 -13.287 6.468 1.00 18.93 C ATOM 2056 C HIS A 931 30.931 -13.857 7.808 1.00 20.26 C ATOM 2057 O HIS A 931 29.888 -13.468 8.326 1.00 20.08 O ATOM 2058 CB HIS A 931 32.301 -12.069 6.724 1.00 20.48 C ATOM 2059 CG HIS A 931 32.735 -11.374 5.470 1.00 21.84 C ATOM 2060 ND1 HIS A 931 33.616 -11.942 4.574 1.00 21.96 N ATOM 2061 CD2 HIS A 931 32.383 -10.175 4.945 1.00 22.13 C ATOM 2062 CE1 HIS A 931 33.800 -11.117 3.559 1.00 22.81 C ATOM 2063 NE2 HIS A 931 33.063 -10.038 3.760 1.00 23.26 N ATOM 2064 N LYS A 932 31.718 -14.772 8.369 1.00 22.49 N ATOM 2065 CA LYS A 932 31.481 -15.281 9.722 1.00 24.11 C ATOM 2066 C LYS A 932 31.958 -14.256 10.758 1.00 25.27 C ATOM 2067 O LYS A 932 31.185 -13.431 11.258 1.00 25.22 O ATOM 2068 CB LYS A 932 32.201 -16.619 9.934 1.00 23.86 C ATOM 2069 N LYS A 933 33.141 -14.238 11.123 1.00 26.73 N TER 2070 LYS A 933 HETATM 4111 C2 486 A1000 13.050 6.768 3.826 1.00 13.05 C HETATM 4112 C1 486 A1000 11.559 6.840 3.951 1.00 12.14 C HETATM 4113 C3 486 A1000 13.851 6.029 4.712 1.00 10.81 C HETATM 4114 C4 486 A1000 13.327 5.418 5.794 1.00 9.58 C HETATM 4115 C7 486 A1000 14.240 4.548 6.619 1.00 9.16 C HETATM 4116 C5 486 A1000 11.904 5.575 6.181 1.00 9.86 C HETATM 4117 C6 486 A1000 10.990 6.402 5.297 1.00 10.29 C HETATM 4118 C10 486 A1000 11.425 5.062 7.341 1.00 9.44 C HETATM 4119 C14 486 A1000 9.951 5.298 7.736 1.00 10.24 C HETATM 4120 C18 486 A1000 8.996 4.308 7.047 1.00 12.99 C HETATM 4121 C22 486 A1000 9.415 3.337 6.140 1.00 14.95 C HETATM 4122 C23 486 A1000 8.502 2.492 5.514 1.00 15.47 C HETATM 4123 C24 486 A1000 7.133 2.581 5.776 1.00 15.61 C HETATM 4124 N27 486 A1000 6.208 1.733 5.135 1.00 15.87 N HETATM 4125 C29 486 A1000 6.576 0.434 4.563 1.00 16.01 C HETATM 4126 C28 486 A1000 4.906 2.284 4.737 1.00 17.06 C HETATM 4127 C25 486 A1000 6.705 3.556 6.666 1.00 15.49 C HETATM 4128 C26 486 A1000 7.630 4.405 7.277 1.00 15.17 C HETATM 4129 C13 486 A1000 9.735 5.405 9.275 1.00 8.84 C HETATM 4130 C12 486 A1000 10.489 4.330 10.031 1.00 8.85 C HETATM 4131 C19 486 A1000 10.006 2.941 9.591 1.00 7.80 C HETATM 4132 C17 486 A1000 10.503 4.432 11.566 1.00 8.43 C HETATM 4133 C31 486 A1000 10.717 5.796 12.084 1.00 8.98 C HETATM 4134 C30 486 A1000 10.942 6.857 12.516 1.00 7.93 C HETATM 4135 C32 486 A1000 11.249 8.166 13.115 1.00 11.68 C HETATM 4136 O3 486 A1000 9.338 3.899 12.163 1.00 7.16 O HETATM 4137 C16 486 A1000 11.721 3.576 11.963 1.00 9.02 C HETATM 4138 C15 486 A1000 12.658 3.596 10.730 1.00 8.98 C HETATM 4139 C11 486 A1000 11.990 4.541 9.722 1.00 8.78 C HETATM 4140 C9 486 A1000 12.319 4.257 8.255 1.00 8.22 C HETATM 4141 C8 486 A1000 13.788 4.582 8.074 1.00 9.00 C CONECT 4110 4111 CONECT 4111 4110 4112 4113 CONECT 4112 4111 4117 CONECT 4113 4111 4114 CONECT 4114 4113 4115 4116 CONECT 4115 4114 4141 CONECT 4116 4114 4117 4118 CONECT 4117 4112 4116 CONECT 4118 4116 4119 4140 CONECT 4119 4118 4120 4129 CONECT 4120 4119 4121 4128 CONECT 4121 4120 4122 CONECT 4122 4121 4123 CONECT 4123 4122 4124 4127 CONECT 4124 4123 4125 4126 CONECT 4125 4124 CONECT 4126 4124 CONECT 4127 4123 4128 CONECT 4128 4120 4127 CONECT 4129 4119 4130 CONECT 4130 4129 4131 4132 4139 CONECT 4131 4130 CONECT 4132 4130 4133 4136 4137 CONECT 4133 4132 4134 CONECT 4134 4133 4135 CONECT 4135 4134 CONECT 4136 4132 CONECT 4137 4132 4138 CONECT 4138 4137 4139 CONECT 4139 4130 4138 4140 CONECT 4140 4118 4139 4141 CONECT 4141 4115 4140 CONECT 4142 4143 4144 4145 4146 CONECT 4143 4142 CONECT 4144 4142 CONECT 4145 4142 CONECT 4146 4142 MASTER 393 0 4 22 8 0 11 6 4309 2 63 40 END