USER MOD reduce.3.24.130724 H: found=0, std=0, add=1324, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1323 hydrogens (0 hets) HEADER METAL BINDING PROTEIN/TRANSFERASE 29-JUN-12 2LV6 TITLE THE COMPLEX BETWEEN CA-CALMODULIN AND SKELETAL MUSCLE MYOSIN LIGHT TITLE 2 CHAIN KINASE FROM COMBINATION OF NMR AND AQUEOUS AND CONTRAST-MATCHED TITLE 3 SAXS DATA COMPND MOL_ID: 1; COMPND 2 MOLECULE: CALMODULIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CAM; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: MYOSIN LIGHT CHAIN KINASE 2, SKELETAL/CARDIAC MUSCLE; COMPND 8 CHAIN: B; COMPND 9 FRAGMENT: CALMODULIN-BINDING RESIDUES 566-591; COMPND 0 SYNONYM: MLCK2; COMPND 1 EC: 2.7.11.18; COMPND 2 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: CALM1, CALM, CAM, CAM1, CALM2, CAM2, CAMB, CALM3, CALML2, SOURCE 6 CAM3, CAMC, CAMIII; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 0 EXPRESSION_SYSTEM_VARIANT: CODON-PLUS (DE3) RIPL; SOURCE 1 EXPRESSION_SYSTEM_VECTOR: PET21A; SOURCE 2 MOL_ID: 2; SOURCE 3 SYNTHETIC: YES; SOURCE 4 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 5 ORGANISM_COMMON: HUMAN; SOURCE 6 ORGANISM_TAXID: 9606 KEYWDS PB-SUBSTITUTED, PROTEIN COMPLEX, METAL BINDING PROTEIN-TRANSFERASE KEYWDS 2 COMPLEX EXPDTA SOLUTION SCATTERING; SOLUTION NMR AUTHOR A.V.GRISHAEV,N.J.ANTHIS,G.M.CLORE REVDAT 2 27-MAR-13 2LV6 1 REMARK REVDAT 1 20-FEB-13 2LV6 0 JRNL AUTH A.GRISHAEV,N.J.ANTHIS,G.M.CLORE JRNL TITL CONTRAST-MATCHED SMALL-ANGLE X-RAY SCATTERING FROM A JRNL TITL 2 HEAVY-ATOM-LABELED PROTEIN IN STRUCTURE DETERMINATION: JRNL TITL 3 APPLICATION TO A LEAD-SUBSTITUTED CALMODULIN-PEPTIDE JRNL TITL 4 COMPLEX. JRNL REF J.AM.CHEM.SOC. V. 134 14686 2012 JRNL REFN ISSN 0002-7863 JRNL PMID 22908850 JRNL DOI 10.1021/JA306359Z REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0, CUSTOM REMARK 3 AUTHORS : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ (CNS) REMARK 3 , GRISHAEV (CUSTOM) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: RELATIVE POSITIONS OF THE N- AND C- REMARK 3 TERMINAL DOMAINS OF CALMODULIN, RIGIDLY HELD AT THOSE OF THE 1MXE REMARK 3 STRUCTURE, CHAIN A, WERE OPTIMIZED VIA A ROTATIONAL/TRANSLATIONAL REMARK 3 GRID SEARCH WITH STEPS OF 2DEG AND 1A, RESPECTIVELY WITH THE BEST REMARK 3 MODEL FITTED AGAINST RDC AND SCATTERING INTENSITY DATA. REMARK 3 COORDINATES OF THE CALMODULIN LINKER RESIDUES (76-81) AND THE REMARK 3 INTERFACIAL SIDE CHAINS WERE REGULARIZED VIA A MOLECULAR REMARK 3 DYNAMICS/SIMULATED ANNEALING PROTOCOL WITH THE BACKBONE ATOMS AND REMARK 3 THE REMAINING SIDE CHAINS HELD FIXED AT THE GEOMETRY RESULTING REMARK 3 FROM THE RIGID-BODY GRID SEARCH OF THE PREVIOUS STEP. REMARK 4 REMARK 4 2LV6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-JAN-13. REMARK 100 THE RCSB ID CODE IS RCSB102873. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300; 300 REMARK 210 PH : 6.5; 6.5 REMARK 210 IONIC STRENGTH : 0.1; 0.15 REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 0.3 MM [U-13C; U-15N; U-2H] REMARK 210 CALMODULIN, 0.3 MM SSMLCK, 95% REMARK 210 H2O/5% D2O; 0.06-0.25 MM [U-13C; REMARK 210 U-15N; U-2H] CALMODULIN, 0.06- REMARK 210 0.25 MM SSMLCK, 65% W/V SUCROSE/ REMARK 210 H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE, SPARKY, CUSTOM REMARK 210 METHOD USED : RIGID-BODY OPTIMIZATION, REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 265 REMARK 265 EXPERIMENTAL DETAILS REMARK 265 REMARK 265 EXPERIMENT TYPE : SMALL ANGLE X-RAY SCATTERING REMARK 265 DATA ACQUISITION REMARK 265 RADIATION/NEUTRON SOURCE : ADVANCED PHOTON SOURCE REMARK 265 SYNCHROTRON (Y/N) : Y REMARK 265 BEAMLINE TYPE : 12-IDB REMARK 265 BEAMLINE INSTRUMENT : NULL REMARK 265 DETECTOR TYPE : PILATUS 2M REMARK 265 DETECTOR MANUFACTURER DETAILS : DECTRIS REMARK 265 TEMPERATURE (KELVIN) : 298 REMARK 265 PH : 6.5 REMARK 265 NUMBER OF TIME FRAMES USED : 20 REMARK 265 PROTEIN CONCENTRATION RANGE (MG/ML) : 1.2-5.0 REMARK 265 SAMPLE BUFFER : 25MM HEPES, 150 MM REMARK 265 KCL, 3 MM CACL2, 1 MM REMARK 265 TCEP, H2O REMARK 265 DATA REDUCTION SOFTWARE : MARDETECTOR, IGOR REMARK 265 GUINIER MEAN RADIUS OF GYRATION (NM) : 1.78 REMARK 265 SIGMA MEAN RADIUS OF GYRATION : 0.04 REMARK 265 R(XS-1) MEAN CROSS SECTIONAL RADII (NM) : NULL REMARK 265 R(XS-1) SIGMA MEAN CROSS SECTIONAL RADII : NULL REMARK 265 R(XS-2) MEAN CROSS SECTIONAL RADII (NM) : NULL REMARK 265 R(XS-2) SIGMA MEAN CROSS SECTIONAL RADII : NULL REMARK 265 P(R) PROTEIN LENGTH (NM) : 6.0 REMARK 265 REMARK 265 EXPERIMENT TYPE : SMALL ANGLE X-RAY SCATTERING REMARK 265 DATA ACQUISITION REMARK 265 RADIATION/NEUTRON SOURCE : ADVANCED PHOTON SOURCE REMARK 265 SYNCHROTRON (Y/N) : Y REMARK 265 BEAMLINE TYPE : 12-IDC REMARK 265 BEAMLINE INSTRUMENT : NULL REMARK 265 DETECTOR TYPE : GOLD CCD REMARK 265 DETECTOR MANUFACTURER DETAILS : NULL REMARK 265 TEMPERATURE (KELVIN) : 298 REMARK 265 PH : 6.5 REMARK 265 NUMBER OF TIME FRAMES USED : 20 REMARK 265 PROTEIN CONCENTRATION RANGE (MG/ML) : 5.0 - 9.5 REMARK 265 SAMPLE BUFFER : 25MM HEPES, 150 MM REMARK 265 KCL, 1 MM TCEP, 3 REMARK 265 MICROMOL PBCL2, 65% REMARK 265 SUCROSE, H2O REMARK 265 DATA REDUCTION SOFTWARE : MARDETECTOR, IGOR REMARK 265 GUINIER MEAN RADIUS OF GYRATION (NM) : 1.8 REMARK 265 SIGMA MEAN RADIUS OF GYRATION : 0.2 REMARK 265 R(XS-1) MEAN CROSS SECTIONAL RADII (NM) : NULL REMARK 265 R(XS-1) SIGMA MEAN CROSS SECTIONAL RADII : NULL REMARK 265 R(XS-2) MEAN CROSS SECTIONAL RADII (NM) : NULL REMARK 265 R(XS-2) SIGMA MEAN CROSS SECTIONAL RADII : NULL REMARK 265 P(R) PROTEIN LENGTH (NM) : NULL REMARK 265 REMARK 265 DATA ANALYSIS AND MODEL FITTING: REMARK 265 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 265 SOFTWARE USED : PRIMUS, GNOM REMARK 265 SOFTWARE AUTHORS : NULL REMARK 265 STARTING MODEL : NULL REMARK 265 REMARK 265 CONFORMERS, NUMBER CALCULATED : NULL REMARK 265 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 265 CONFORMERS, SELECTION CRITERIA : BEST-FITTING CONFORMER BASED ON REMARK 265 THE FIT OF AQUEOUS SAXS DATA FOR CA-CAM/MLCK, CONTRAST-MATCHED REMARK 265 (65% SUCROSE) SAXS DATA FOR PB-CAM/MLCK, AND BACKBONE 1H-15N REMARK 265 RESIDUAL DIPOLAR COUPLINGS FOR CAM IN THE CA-CAM/MLCK COMPLEX REMARK 265 REMARK 265 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 265 REMARK 265 OTHER DETAILS: 4000000000000 STARTING RELATIVE POSITIONS OF THE N REMARK 265 -TERM (1-75) AND C-TERM (82-148) DOMAINS OF CAM WERE BUILT USING REMARK 265 COORDINATES IN THE PDB DEPOSITION 1MXE:A. TAIL RESIDUES 1-4 AND REMARK 265 144-148 WERE BEST-FITTED TO 1MXE USING MODELS 1J7O AND 1J7P. REMARK 265 THESE 4*1011 MODELS SAMPLE IN AN EXHAUSTIVE FASHION ALL POSSIBLE REMARK 265 RELATIVE DOMAIN POSITIONS WHICH DIFFER BY NO MORE THAN 1A IN REMARK 265 TERMS OF C-TERM DOMAIN PLACEMENT WHEN N-TERM DOMAIN IS FIXED. REMARK 265 ROTATIONAL AND TRANSLATIONAL GRIDS OF 2DEG AND 1A WERE USED. THE REMARK 265 MODELS WERE THEN FILTERED TO EXHIBIT FIT TO THE RDC DATA NO WORSE REMARK 265 THAN 10% HIGHER THAN GLOBAL MINIMUM FOUND BY NLS OPTIMIZATION OF REMARK 265 ORIENTATION OF THE C-TERM RELATIVE TO THE N-TERM DOMAIN. REMARK 265 ADDITIONAL FILTERS WERE THEN APPLIED INCLUDING ABSENCE OF CLASHES REMARK 265 <2.5 A BETWEEN HEAVY BACKBONE AND CB ATOMS, AND RGYR OF 13-19A. REMARK 265 FOR THE GEOMETRIES THAT PASSED ABOVE REQUIREMENTS, POSITION OF REMARK 265 MLCK FROM 2BBM DEPOSITION WAS BEST-FITTED IN A RIGID-BODY MANNER REMARK 265 AGAINST NOE DISTANCE RESTRAINTS FROM 2BBM DEPOSITION AND CLASH REMARK 265 AVOIDANCE FUNCTION INCLUDING HEAVY BACKBONE AND CB ATOMS. CAM REMARK 265 CONFORMATIONS WHICH EXHIBITED AT LEAST 1 NOE VIOLATION EXCEEDING REMARK 265 3A FOR THE BEST-FITTED MLCK WERE REJECTED. LINKER COORDINATES REMARK 265 WERE THEN BUILT FOR RESIDUES 76-81 USING 8-RESIDUE BACKBONE AND REMARK 265 CB-CONTAINING SEGMENTS FROM A PDB-BASED DATABASE INCLUDING 2.2 REMARK 265 MILLION RESIDUES IN TOTAL. LINKERS WHICH CLASHED WITH CAM DOMAINS REMARK 265 OR MLCK OR EXHIBITED RMSD ABOVE 1.2 A FOR RESIDUES 1 AND 8 VS REMARK 265 RESIDUES 75 AND 82 OF CAM WERE REJECTED. CAM CONFORMATION FOR REMARK 265 WHICH SUCH LINKERS COULD NOT BE BUILT WERE REJECTED LEADING TO A REMARK 265 TOTAL OF APPROXIMATELY 75000 STRUCTURES. THESE STRUCTURES WERE REMARK 265 FITTED TO THE SAXS AND RDC DATA WITH THE OVERALL BEST-FITTING REMARK 265 MODEL RETAINED FOR DEPOSITION. THE COORDINATES OF THE LINKER REMARK 265 RESIDUES 76-81 AND SIDECHAINS WERE REGULARIZED BY ENERGY REMARK 265 MINIMIZATION VIA XPLOR-NIH PRIOR TO THE DEPOSITION WITH THE REMARK 265 ACTIVE ENERGY TERMS INCLUDING BONDS, ANGLES, IMPROPERS, NON- REMARK 265 BONDED, AND CONFORMATIONAL DATABASE POTENTIALS OF MEAN FORCE. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1442 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 2977 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -23.7 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O VAL A 142 H THR A 146 1.51 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 THR A 79 -89.12 59.96 REMARK 500 ASP A 80 37.00 170.10 REMARK 500 SER A 81 -145.66 51.74 REMARK 500 GLU A 82 -46.25 112.85 REMARK 500 ALA A 147 169.99 59.61 REMARK 500 SER B 221 91.37 -54.72 REMARK 500 SER B 222 88.60 -55.37 REMARK 500 SER B 223 102.93 25.31 REMARK 500 ALA B 225 -38.60 -35.63 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 204 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 129 OD1 REMARK 620 2 GLN A 135 O 84.8 REMARK 620 3 ASP A 133 OD1 86.8 78.8 REMARK 620 4 GLU A 140 OE1 108.7 78.7 151.2 REMARK 620 5 ASP A 131 OD1 89.4 154.0 75.7 126.9 REMARK 620 6 GLU A 140 OE2 91.4 125.5 155.5 51.3 79.8 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 203 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 93 OD1 REMARK 620 2 PHE A 99 O 84.2 REMARK 620 3 ASP A 95 OD1 82.8 153.5 REMARK 620 4 GLU A 104 OE1 103.4 77.3 128.2 REMARK 620 5 ASN A 97 OD1 87.0 77.7 78.7 151.7 REMARK 620 6 GLU A 104 OE2 99.4 128.4 76.5 51.6 153.4 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 201 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 56 OD1 REMARK 620 2 ASP A 58 OD1 81.3 REMARK 620 3 ASN A 60 OD1 84.8 77.8 REMARK 620 4 THR A 62 O 87.2 155.3 79.5 REMARK 620 5 GLU A 67 OE1 106.0 124.2 156.2 79.9 REMARK 620 6 GLU A 67 OE2 89.2 74.8 152.6 127.0 50.7 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 202 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 THR A 26 O REMARK 620 2 ASP A 24 OD1 85.7 REMARK 620 3 ASP A 22 OD1 157.4 82.6 REMARK 620 4 ASP A 20 OD1 82.3 90.2 78.5 REMARK 620 5 GLU A 31 OE2 116.6 157.7 76.5 93.1 REMARK 620 6 GLU A 31 OE1 72.4 145.4 126.2 112.4 51.3 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 203 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 204 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1MXE RELATED DB: PDB REMARK 900 BACKBONE COORDINATES OF THE N- AND C-TERMINAL DOMAINS FROM REMARK 900 THIS ENTRY (RESIDUES 5-75 AND 82-146, RESPECTIVELY) WERE REMARK 900 USED DURING RIGID-BODY OPTIMIZATION OF THE GEOMETRY OF THE REMARK 900 CAM/MLCK COMPLEX. REMARK 900 RELATED ID: 2BBM RELATED DB: PDB REMARK 900 SKMLCK PEPTIDE COORDINATES AND DISTANCE RESTRAINTS FROM REMARK 900 THIS ENTRY WERE USED DURING RIGID-BODY OPTIMIZATION OF THE REMARK 900 GEOMETRY OF THE CAM/MLCK COMPLEX. REMARK 900 RELATED ID: 18556 RELATED DB: BMRB REMARK 999 REMARK 999 SEQUENCE REMARK 999 THIS DEPOSITED STRUCTURE OF HUMAN CALMODULIN WAS REFINED USING REMARK 999 INDIVIDUAL DOMAIN COORDINATES OF DEPOSITION 1MXE, WHICH CORRESPONDS REMARK 999 TO THE CHICKEN CALMODULIN. THE SEQUENCES OF HUMAN AND CHICKEN REMARK 999 CALMODULIN DIFFER IN TWO POSITIONS, 99 (TYR FOR HUMAN AND PHE FOR REMARK 999 CHICKEN) AND 143 (GLN FOR HUMAN AND THR FOR CHICKEN). THEREFORE, REMARK 999 THE SIDECHAIN COORDINATES OF RESIDUES 99 AND 143 IN THIS DEPOSITION REMARK 999 DO NOT REPRESENT COMPOSITION OF THE SAMPLES USED FOR EXPERIMENTAL REMARK 999 DATA COLLECTION. THIS DISCREPANCIES DO NOT PRODUCE ANY DIFFERENCES REMARK 999 WHEN EXPERIMENTAL DATA ARE FITTED SINCE BACKBONE N-HN RDC AND REMARK 999 CONTRAST-MATCHED SAXS DATA DO NOT INVOLVE THE SIDECHAIN COORDINATES REMARK 999 AND THEIR IMPACT ON THE AQUEOUS SAXS DATA IS NEGLIGIBLE. DBREF 2LV6 A 1 148 UNP P62158 CALM_HUMAN 2 149 DBREF 2LV6 B 201 226 UNP Q9H1R3 MYLK2_HUMAN 566 591 SEQADV 2LV6 PHE A 99 UNP P62158 TYR 100 SEE REMARK 999 SEQADV 2LV6 THR A 143 UNP P62158 GLN 144 SEE REMARK 999 SEQRES 1 A 148 ALA ASP GLN LEU THR GLU GLU GLN ILE ALA GLU PHE LYS SEQRES 2 A 148 GLU ALA PHE SER LEU PHE ASP LYS ASP GLY ASP GLY THR SEQRES 3 A 148 ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER LEU SEQRES 4 A 148 GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET ILE SEQRES 5 A 148 ASN GLU VAL ASP ALA ASP GLY ASN GLY THR ILE ASP PHE SEQRES 6 A 148 PRO GLU PHE LEU THR MET MET ALA ARG LYS MET LYS ASP SEQRES 7 A 148 THR ASP SER GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL SEQRES 8 A 148 PHE ASP LYS ASP GLY ASN GLY PHE ILE SER ALA ALA GLU SEQRES 9 A 148 LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU THR SEQRES 10 A 148 ASP GLU GLU VAL ASP GLU MET ILE ARG GLU ALA ASP ILE SEQRES 11 A 148 ASP GLY ASP GLY GLN VAL ASN TYR GLU GLU PHE VAL THR SEQRES 12 A 148 MET MET THR ALA LYS SEQRES 1 B 26 LYS ARG ARG TRP LYS LYS ASN PHE ILE ALA VAL SER ALA SEQRES 2 B 26 ALA ASN ARG PHE LYS LYS ILE SER SER SER GLY ALA LEU HET CA A 201 1 HET CA A 202 1 HET CA A 203 1 HET CA A 204 1 HETNAM CA CALCIUM ION FORMUL 3 CA 4(CA 2+) HELIX 1 1 THR A 5 ASP A 20 1 16 HELIX 2 2 THR A 28 LEU A 39 1 12 HELIX 3 3 THR A 44 ASP A 56 1 13 HELIX 4 4 PHE A 65 ASP A 78 1 14 HELIX 5 5 GLU A 82 ASP A 93 1 12 HELIX 6 6 SER A 101 LEU A 112 1 12 HELIX 7 7 THR A 117 ASP A 129 1 13 HELIX 8 8 TYR A 138 ALA A 147 1 10 HELIX 9 9 ARG B 203 ILE B 220 1 18 SHEET 1 A 2 THR A 26 ILE A 27 0 SHEET 2 A 2 ILE A 63 ASP A 64 -1 O ILE A 63 N ILE A 27 SHEET 1 B 2 PHE A 99 ILE A 100 0 SHEET 2 B 2 VAL A 136 ASN A 137 -1 O VAL A 136 N ILE A 100 LINK OD1 ASP A 129 CA CA A 204 1555 1555 2.26 LINK OD1 ASP A 93 CA CA A 203 1555 1555 2.26 LINK OD1 ASP A 56 CA CA A 201 1555 1555 2.28 LINK O PHE A 99 CA CA A 203 1555 1555 2.30 LINK O THR A 26 CA CA A 202 1555 1555 2.33 LINK OD1 ASP A 95 CA CA A 203 1555 1555 2.34 LINK OD1 ASP A 24 CA CA A 202 1555 1555 2.35 LINK O GLN A 135 CA CA A 204 1555 1555 2.37 LINK OD1 ASP A 58 CA CA A 201 1555 1555 2.37 LINK OD1 ASN A 60 CA CA A 201 1555 1555 2.38 LINK OD1 ASP A 22 CA CA A 202 1555 1555 2.38 LINK OD1 ASP A 20 CA CA A 202 1555 1555 2.38 LINK O THR A 62 CA CA A 201 1555 1555 2.42 LINK OD1 ASP A 133 CA CA A 204 1555 1555 2.43 LINK OE1 GLU A 104 CA CA A 203 1555 1555 2.48 LINK OE1 GLU A 140 CA CA A 204 1555 1555 2.48 LINK OE1 GLU A 67 CA CA A 201 1555 1555 2.49 LINK OD1 ASN A 97 CA CA A 203 1555 1555 2.50 LINK OE2 GLU A 104 CA CA A 203 1555 1555 2.51 LINK OE2 GLU A 31 CA CA A 202 1555 1555 2.52 LINK OE1 GLU A 31 CA CA A 202 1555 1555 2.56 LINK OE2 GLU A 67 CA CA A 201 1555 1555 2.58 LINK OD1 ASP A 131 CA CA A 204 1555 1555 2.58 LINK OE2 GLU A 140 CA CA A 204 1555 1555 2.60 SITE *** AC1 5 ASP A 56 ASP A 58 ASN A 60 THR A 62 SITE *** AC1 5 GLU A 67 SITE *** AC2 5 ASP A 20 ASP A 22 ASP A 24 THR A 26 SITE *** AC2 5 GLU A 31 SITE *** AC3 5 ASP A 93 ASP A 95 ASN A 97 PHE A 99 SITE *** AC3 5 GLU A 104 SITE *** AC4 5 ASP A 129 ASP A 131 ASP A 133 GLN A 135 SITE *** AC4 5 GLU A 140 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 201 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 201 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 203 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 203 CACA :(metal ligand) USER MOD Set 1.1: A 41 GLN : amide:sc= -1.34 K(o=-0.37,f=-17!) USER MOD Set 1.2: B 218 LYS NZ :NH3+ -155:sc= 0.977 (180deg=-0.513) USER MOD Set 2.1: A 109 MET CE :methyl -126:sc= -0.971 (180deg=-0.713) USER MOD Set 2.2: A 124 MET CE :methyl -103:sc= -1.56 (180deg=-2.62) USER MOD Set 2.3: B 207 ASN : amide:sc= -2.32 K(o=-4.8,f=-8.6!) USER MOD Set 3.1: A 75 LYS NZ :NH3+ 173:sc= -0.455 (180deg=-0.725) USER MOD Set 3.2: A 81 SER OG : rot -30:sc=1.53e-05 USER MOD Set 4.1: A 49 GLN : amide:sc= 0.736 K(o=1,f=-1.3) USER MOD Set 4.2: A 53 ASN : amide:sc= 0.267 K(o=1,f=-2.3) USER MOD Set 5.1: A 5 THR OG1 : rot 180:sc= 0.0806 USER MOD Set 5.2: A 8 GLN : amide:sc= 0.0738 K(o=0.15,f=-3.1!) USER MOD Single : A 1 ALA N :NH3+ -105:sc= 0.0767 (180deg=0) USER MOD Single : A 3 GLN : amide:sc=-0.00863 K(o=-0.0086,f=-0.54) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0.257 (180deg=0.256) USER MOD Single : A 26 THR OG1 : rot -34:sc= 0.335 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.297 USER MOD Single : A 29 THR OG1 : rot 153:sc= 0.145 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 75:sc= 0.855 USER MOD Single : A 36 MET CE :methyl 173:sc= -0.947 (180deg=-1.01) USER MOD Single : A 38 SER OG : rot -62:sc= 0.957 USER MOD Single : A 42 ASN : amide:sc= -0.0916 X(o=-0.092,f=-0.092) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 51 MET CE :methyl -129:sc= -5.67! (180deg=-6.62!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 75:sc= 0.00678 USER MOD Single : A 71 MET CE :methyl 178:sc= -1.15 (180deg=-1.15) USER MOD Single : A 72 MET CE :methyl -170:sc= -3.98! (180deg=-4.11!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00749) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= 0.515 (180deg=0.503) USER MOD Single : A 101 SER OG : rot 180:sc= 0.53 USER MOD Single : A 107 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.049) USER MOD Single : A 110 THR OG1 : rot 82:sc= 0.502 USER MOD Single : A 111 ASN : amide:sc=-0.00293 K(o=-0.0029,f=-0.98) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.252 USER MOD Single : A 135 GLN : amide:sc= -0.0202 K(o=-0.02,f=-1.4) USER MOD Single : A 137 ASN : amide:sc= 0.273 K(o=0.27,f=-9.1!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 78:sc= 0.412 USER MOD Single : A 144 MET CE :methyl 169:sc= -0.232 (180deg=-0.475) USER MOD Single : A 145 MET CE :methyl 145:sc= -23.1! (180deg=-26.3!) USER MOD Single : A 146 THR OG1 : rot 55:sc= 0.977 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 205 LYS NZ :NH3+ -116:sc= 1.77 (180deg=-0.0199) USER MOD Single : B 206 LYS NZ :NH3+ 173:sc= -0.116 (180deg=-0.214) USER MOD Single : B 212 SER OG : rot 111:sc= -1.49 USER MOD Single : B 215 ASN : amide:sc= -14.5! C(o=-14!,f=-16!) USER MOD Single : B 219 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 221 SER OG : rot 59:sc= 1.17 USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 223 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.797 2.836 -21.971 1.00 0.00 N ATOM 2 CA ALA A 1 -4.103 3.086 -20.714 1.00 0.00 C ATOM 3 C ALA A 1 -2.758 3.762 -20.955 1.00 0.00 C ATOM 4 O ALA A 1 -2.236 3.748 -22.070 1.00 0.00 O ATOM 5 CB ALA A 1 -3.911 1.785 -19.950 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.571 3.521 -22.082 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.129 2.936 -22.762 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.186 1.872 -21.967 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.717 3.759 -20.116 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -3.391 1.986 -19.013 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.884 1.341 -19.737 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.320 1.094 -20.551 1.00 0.00 H new ATOM 11 N ASP A 2 -2.202 4.356 -19.904 1.00 0.00 N ATOM 12 CA ASP A 2 -0.917 5.040 -20.002 1.00 0.00 C ATOM 13 C ASP A 2 0.110 4.415 -19.063 1.00 0.00 C ATOM 14 O ASP A 2 -0.174 4.169 -17.891 1.00 0.00 O ATOM 15 CB ASP A 2 -1.082 6.526 -19.678 1.00 0.00 C ATOM 16 CG ASP A 2 -1.846 7.271 -20.756 1.00 0.00 C ATOM 17 OD1 ASP A 2 -1.915 6.762 -21.894 1.00 0.00 O ATOM 18 OD2 ASP A 2 -2.376 8.363 -20.461 1.00 0.00 O ATOM 0 H ASP A 2 -2.621 4.378 -18.974 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.556 4.934 -21.025 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.604 6.632 -18.727 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.099 6.980 -19.554 1.00 0.00 H new ATOM 23 N GLN A 3 1.306 4.165 -19.586 1.00 0.00 N ATOM 24 CA GLN A 3 2.379 3.573 -18.796 1.00 0.00 C ATOM 25 C GLN A 3 2.879 4.552 -17.739 1.00 0.00 C ATOM 26 O GLN A 3 3.000 5.749 -17.995 1.00 0.00 O ATOM 27 CB GLN A 3 3.537 3.148 -19.701 1.00 0.00 C ATOM 28 CG GLN A 3 3.145 2.119 -20.749 1.00 0.00 C ATOM 29 CD GLN A 3 2.843 0.762 -20.144 1.00 0.00 C ATOM 30 OE1 GLN A 3 3.528 0.313 -19.225 1.00 0.00 O ATOM 31 NE2 GLN A 3 1.814 0.099 -20.660 1.00 0.00 N ATOM 0 H GLN A 3 1.556 4.364 -20.555 1.00 0.00 H new ATOM 0 HA GLN A 3 1.980 2.692 -18.293 1.00 0.00 H new ATOM 0 HB2 GLN A 3 3.938 4.029 -20.202 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.338 2.739 -19.085 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.270 2.474 -21.293 1.00 0.00 H new ATOM 0 HG3 GLN A 3 3.952 2.018 -21.475 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.273 0.509 -21.421 1.00 0.00 H new ATOM 0 HE22 GLN A 3 1.565 -0.820 -20.295 1.00 0.00 H new ATOM 40 N LEU A 4 3.167 4.034 -16.549 1.00 0.00 N ATOM 41 CA LEU A 4 3.652 4.863 -15.451 1.00 0.00 C ATOM 42 C LEU A 4 4.960 5.552 -15.826 1.00 0.00 C ATOM 43 O LEU A 4 5.828 4.955 -16.463 1.00 0.00 O ATOM 44 CB LEU A 4 3.851 4.013 -14.194 1.00 0.00 C ATOM 45 CG LEU A 4 2.591 3.316 -13.677 1.00 0.00 C ATOM 46 CD1 LEU A 4 2.903 2.502 -12.431 1.00 0.00 C ATOM 47 CD2 LEU A 4 1.500 4.336 -13.392 1.00 0.00 C ATOM 0 H LEU A 4 3.073 3.044 -16.321 1.00 0.00 H new ATOM 0 HA LEU A 4 2.904 5.630 -15.249 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.607 3.256 -14.402 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.246 4.649 -13.402 1.00 0.00 H new ATOM 0 HG LEU A 4 2.232 2.634 -14.448 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.994 2.014 -12.078 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.652 1.747 -12.668 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.286 3.161 -11.652 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.610 3.824 -13.025 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.850 5.042 -12.638 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.257 4.874 -14.308 1.00 0.00 H new ATOM 59 N THR A 5 5.094 6.812 -15.424 1.00 1.00 N ATOM 60 CA THR A 5 6.310 7.596 -15.718 1.00 1.00 C ATOM 61 C THR A 5 7.311 7.423 -14.581 1.00 1.00 C ATOM 62 O THR A 5 6.930 7.065 -13.467 1.00 1.00 O ATOM 63 CB THR A 5 6.041 9.105 -15.950 1.00 1.00 C ATOM 64 OG1 THR A 5 5.748 9.755 -14.702 1.00 1.00 O ATOM 65 CG2 THR A 5 4.801 9.324 -16.806 1.00 1.00 C ATOM 0 H THR A 5 4.384 7.319 -14.895 1.00 1.00 H new ATOM 0 HA THR A 5 6.711 7.209 -16.655 1.00 1.00 H new ATOM 0 HB THR A 5 6.934 9.504 -16.432 1.00 1.00 H new ATOM 0 HG1 THR A 5 5.582 10.708 -14.861 1.00 1.00 H new ATOM 0 HG21 THR A 5 4.642 10.393 -16.949 1.00 1.00 H new ATOM 0 HG22 THR A 5 4.939 8.845 -17.775 1.00 1.00 H new ATOM 0 HG23 THR A 5 3.934 8.891 -16.307 1.00 1.00 H new ATOM 73 N GLU A 6 8.588 7.681 -14.851 1.00 1.00 N ATOM 74 CA GLU A 6 9.613 7.509 -13.823 1.00 1.00 C ATOM 75 C GLU A 6 9.430 8.503 -12.674 1.00 1.00 C ATOM 76 O GLU A 6 9.813 8.222 -11.533 1.00 1.00 O ATOM 77 CB GLU A 6 11.024 7.615 -14.414 1.00 1.00 C ATOM 78 CG GLU A 6 11.437 9.022 -14.798 1.00 1.00 C ATOM 79 CD GLU A 6 12.760 9.063 -15.543 1.00 1.00 C ATOM 80 OE1 GLU A 6 13.377 7.985 -15.732 1.00 1.00 O ATOM 81 OE2 GLU A 6 13.177 10.176 -15.943 1.00 1.00 O ATOM 0 H GLU A 6 8.934 8.004 -15.754 1.00 1.00 H new ATOM 0 HA GLU A 6 9.494 6.504 -13.417 1.00 1.00 H new ATOM 0 HB2 GLU A 6 11.739 7.224 -13.690 1.00 1.00 H new ATOM 0 HB3 GLU A 6 11.084 6.978 -15.296 1.00 1.00 H new ATOM 0 HG2 GLU A 6 10.661 9.467 -15.420 1.00 1.00 H new ATOM 0 HG3 GLU A 6 11.513 9.632 -13.898 1.00 1.00 H new ATOM 88 N GLU A 7 8.842 9.657 -12.976 1.00 1.00 N ATOM 89 CA GLU A 7 8.571 10.655 -11.944 1.00 1.00 C ATOM 90 C GLU A 7 7.453 10.159 -11.036 1.00 1.00 C ATOM 91 O GLU A 7 7.494 10.334 -9.808 1.00 1.00 O ATOM 92 CB GLU A 7 8.210 12.006 -12.564 1.00 1.00 C ATOM 93 CG GLU A 7 9.377 12.716 -13.236 1.00 1.00 C ATOM 94 CD GLU A 7 9.717 12.171 -14.619 1.00 1.00 C ATOM 95 OE1 GLU A 7 8.933 11.376 -15.188 1.00 1.00 O ATOM 96 OE2 GLU A 7 10.781 12.553 -15.147 1.00 1.00 O ATOM 0 H GLU A 7 8.547 9.923 -13.915 1.00 1.00 H new ATOM 0 HA GLU A 7 9.474 10.799 -11.351 1.00 1.00 H new ATOM 0 HB2 GLU A 7 7.419 11.856 -13.299 1.00 1.00 H new ATOM 0 HB3 GLU A 7 7.805 12.653 -11.786 1.00 1.00 H new ATOM 0 HG2 GLU A 7 9.143 13.777 -13.322 1.00 1.00 H new ATOM 0 HG3 GLU A 7 10.256 12.634 -12.597 1.00 1.00 H new ATOM 103 N GLN A 8 6.451 9.526 -11.637 1.00 1.00 N ATOM 104 CA GLN A 8 5.364 8.973 -10.846 1.00 1.00 C ATOM 105 C GLN A 8 5.867 7.817 -9.976 1.00 1.00 C ATOM 106 O GLN A 8 5.490 7.708 -8.802 1.00 1.00 O ATOM 107 CB GLN A 8 4.212 8.511 -11.743 1.00 1.00 C ATOM 108 CG GLN A 8 3.407 9.647 -12.365 1.00 1.00 C ATOM 109 CD GLN A 8 2.282 9.131 -13.254 1.00 1.00 C ATOM 110 OE1 GLN A 8 2.524 8.385 -14.201 1.00 1.00 O ATOM 111 NE2 GLN A 8 1.054 9.530 -12.949 1.00 1.00 N ATOM 0 H GLN A 8 6.371 9.386 -12.644 1.00 1.00 H new ATOM 0 HA GLN A 8 4.987 9.760 -10.192 1.00 1.00 H new ATOM 0 HB2 GLN A 8 4.616 7.888 -12.541 1.00 1.00 H new ATOM 0 HB3 GLN A 8 3.540 7.883 -11.157 1.00 1.00 H new ATOM 0 HG2 GLN A 8 2.988 10.269 -11.574 1.00 1.00 H new ATOM 0 HG3 GLN A 8 4.070 10.282 -12.952 1.00 1.00 H new ATOM 0 HE21 GLN A 8 0.902 10.150 -12.153 1.00 1.00 H new ATOM 0 HE22 GLN A 8 0.262 9.217 -13.510 1.00 1.00 H new ATOM 120 N ILE A 9 6.724 6.960 -10.540 1.00 1.00 N ATOM 121 CA ILE A 9 7.248 5.817 -9.774 1.00 1.00 C ATOM 122 C ILE A 9 8.029 6.305 -8.547 1.00 1.00 C ATOM 123 O ILE A 9 7.908 5.759 -7.441 1.00 1.00 O ATOM 124 CB ILE A 9 8.138 4.910 -10.652 1.00 1.00 C ATOM 125 CG1 ILE A 9 7.323 4.294 -11.791 1.00 1.00 C ATOM 126 CG2 ILE A 9 8.743 3.794 -9.818 1.00 1.00 C ATOM 127 CD1 ILE A 9 8.177 3.558 -12.842 1.00 1.00 C ATOM 0 H ILE A 9 7.065 7.029 -11.499 1.00 1.00 H new ATOM 0 HA ILE A 9 6.397 5.225 -9.437 1.00 1.00 H new ATOM 0 HB ILE A 9 8.934 5.526 -11.070 1.00 1.00 H new ATOM 0 HG12 ILE A 9 6.600 3.595 -11.371 1.00 1.00 H new ATOM 0 HG13 ILE A 9 6.755 5.082 -12.286 1.00 1.00 H new ATOM 0 HG21 ILE A 9 9.367 3.164 -10.451 1.00 1.00 H new ATOM 0 HG22 ILE A 9 9.351 4.223 -9.022 1.00 1.00 H new ATOM 0 HG23 ILE A 9 7.946 3.193 -9.382 1.00 1.00 H new ATOM 0 HD11 ILE A 9 7.528 3.149 -13.616 1.00 1.00 H new ATOM 0 HD12 ILE A 9 8.883 4.257 -13.291 1.00 1.00 H new ATOM 0 HD13 ILE A 9 8.725 2.747 -12.362 1.00 1.00 H new ATOM 139 N ALA A 10 8.819 7.351 -8.742 1.00 1.00 N ATOM 140 CA ALA A 10 9.581 7.939 -7.641 1.00 1.00 C ATOM 141 C ALA A 10 8.653 8.500 -6.553 1.00 1.00 C ATOM 142 O ALA A 10 8.897 8.312 -5.369 1.00 1.00 O ATOM 143 CB ALA A 10 10.495 9.023 -8.166 1.00 1.00 C ATOM 0 H ALA A 10 8.951 7.810 -9.643 1.00 1.00 H new ATOM 0 HA ALA A 10 10.184 7.152 -7.188 1.00 1.00 H new ATOM 0 HB1 ALA A 10 11.059 9.456 -7.339 1.00 1.00 H new ATOM 0 HB2 ALA A 10 11.186 8.596 -8.892 1.00 1.00 H new ATOM 0 HB3 ALA A 10 9.900 9.800 -8.645 1.00 1.00 H new ATOM 149 N GLU A 11 7.593 9.197 -6.966 1.00 1.00 N ATOM 150 CA GLU A 11 6.631 9.759 -6.019 1.00 1.00 C ATOM 151 C GLU A 11 5.962 8.632 -5.247 1.00 1.00 C ATOM 152 O GLU A 11 5.806 8.696 -4.040 1.00 1.00 O ATOM 153 CB GLU A 11 5.562 10.600 -6.741 1.00 1.00 C ATOM 154 CG GLU A 11 4.532 11.211 -5.803 1.00 0.00 C ATOM 155 CD GLU A 11 3.487 12.036 -6.532 1.00 0.00 C ATOM 156 OE1 GLU A 11 3.669 12.296 -7.740 1.00 0.00 O ATOM 157 OE2 GLU A 11 2.489 12.426 -5.891 1.00 0.00 O ATOM 0 H GLU A 11 7.380 9.385 -7.946 1.00 1.00 H new ATOM 0 HA GLU A 11 7.168 10.413 -5.332 1.00 1.00 H new ATOM 0 HB2 GLU A 11 6.054 11.398 -7.297 1.00 1.00 H new ATOM 0 HB3 GLU A 11 5.050 9.973 -7.471 1.00 1.00 H new ATOM 0 HG2 GLU A 11 4.037 10.415 -5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.041 11.841 -5.073 1.00 0.00 H new ATOM 164 N PHE A 12 5.604 7.574 -5.957 1.00 1.00 N ATOM 165 CA PHE A 12 4.904 6.473 -5.310 1.00 1.00 C ATOM 166 C PHE A 12 5.833 5.673 -4.415 1.00 1.00 C ATOM 167 O PHE A 12 5.383 5.091 -3.409 1.00 1.00 O ATOM 168 CB PHE A 12 4.204 5.588 -6.342 1.00 1.00 C ATOM 169 CG PHE A 12 3.176 6.313 -7.169 1.00 0.00 C ATOM 170 CD1 PHE A 12 2.330 7.250 -6.592 1.00 0.00 C ATOM 171 CD2 PHE A 12 3.054 6.054 -8.525 1.00 0.00 C ATOM 172 CE1 PHE A 12 1.386 7.914 -7.353 1.00 0.00 C ATOM 173 CE2 PHE A 12 2.111 6.714 -9.290 1.00 0.00 C ATOM 174 CZ PHE A 12 1.276 7.645 -8.704 1.00 0.00 C ATOM 0 H PHE A 12 5.780 7.453 -6.954 1.00 1.00 H new ATOM 0 HA PHE A 12 4.133 6.898 -4.667 1.00 1.00 H new ATOM 0 HB2 PHE A 12 4.954 5.159 -7.007 1.00 1.00 H new ATOM 0 HB3 PHE A 12 3.722 4.757 -5.827 1.00 1.00 H new ATOM 0 HD1 PHE A 12 2.410 7.463 -5.536 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.704 5.327 -8.990 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.735 8.642 -6.892 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.027 6.502 -10.346 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.539 8.162 -9.300 1.00 0.00 H new ATOM 184 N LYS A 13 7.117 5.633 -4.769 1.00 1.00 N ATOM 185 CA LYS A 13 8.099 4.958 -3.917 1.00 1.00 C ATOM 186 C LYS A 13 8.172 5.705 -2.600 1.00 1.00 C ATOM 187 O LYS A 13 8.266 5.105 -1.535 1.00 1.00 O ATOM 188 CB LYS A 13 9.486 4.927 -4.578 1.00 1.00 C ATOM 189 CG LYS A 13 10.531 4.055 -3.835 1.00 1.00 C ATOM 190 CD LYS A 13 11.908 4.170 -4.509 1.00 1.00 C ATOM 191 CE LYS A 13 12.914 3.146 -3.993 1.00 1.00 C ATOM 192 NZ LYS A 13 14.259 3.318 -4.639 1.00 1.00 N ATOM 0 H LYS A 13 7.497 6.049 -5.619 1.00 1.00 H new ATOM 0 HA LYS A 13 7.789 3.925 -3.759 1.00 1.00 H new ATOM 0 HB2 LYS A 13 9.381 4.556 -5.598 1.00 1.00 H new ATOM 0 HB3 LYS A 13 9.865 5.947 -4.647 1.00 1.00 H new ATOM 0 HG2 LYS A 13 10.602 4.371 -2.794 1.00 1.00 H new ATOM 0 HG3 LYS A 13 10.208 3.014 -3.831 1.00 1.00 H new ATOM 0 HD2 LYS A 13 11.791 4.045 -5.585 1.00 1.00 H new ATOM 0 HD3 LYS A 13 12.303 5.173 -4.346 1.00 1.00 H new ATOM 0 HE2 LYS A 13 13.013 3.246 -2.912 1.00 1.00 H new ATOM 0 HE3 LYS A 13 12.542 2.140 -4.188 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 14.918 2.605 -4.265 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 14.168 3.198 -5.668 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 14.624 4.270 -4.432 1.00 1.00 H new ATOM 206 N GLU A 14 8.152 7.034 -2.672 1.00 1.00 N ATOM 207 CA GLU A 14 8.186 7.822 -1.453 1.00 1.00 C ATOM 208 C GLU A 14 6.906 7.603 -0.633 1.00 1.00 C ATOM 209 O GLU A 14 6.950 7.489 0.598 1.00 1.00 O ATOM 210 CB GLU A 14 8.441 9.306 -1.789 1.00 1.00 C ATOM 211 CG GLU A 14 8.789 10.146 -0.573 1.00 1.00 C ATOM 212 CD GLU A 14 9.832 11.199 -0.879 1.00 1.00 C ATOM 213 OE1 GLU A 14 9.479 12.184 -1.572 1.00 1.00 O ATOM 214 OE2 GLU A 14 10.996 11.029 -0.428 1.00 1.00 O ATOM 0 H GLU A 14 8.113 7.572 -3.538 1.00 1.00 H new ATOM 0 HA GLU A 14 9.014 7.491 -0.826 1.00 1.00 H new ATOM 0 HB2 GLU A 14 9.253 9.373 -2.513 1.00 1.00 H new ATOM 0 HB3 GLU A 14 7.553 9.721 -2.267 1.00 1.00 H new ATOM 0 HG2 GLU A 14 7.887 10.630 -0.199 1.00 1.00 H new ATOM 0 HG3 GLU A 14 9.155 9.496 0.222 1.00 1.00 H new ATOM 221 N ALA A 15 5.766 7.529 -1.308 1.00 1.00 N ATOM 222 CA ALA A 15 4.513 7.218 -0.625 1.00 1.00 C ATOM 223 C ALA A 15 4.554 5.821 0.040 1.00 1.00 C ATOM 224 O ALA A 15 4.109 5.666 1.166 1.00 1.00 O ATOM 225 CB ALA A 15 3.348 7.300 -1.579 1.00 1.00 C ATOM 0 H ALA A 15 5.681 7.677 -2.314 1.00 1.00 H new ATOM 0 HA ALA A 15 4.382 7.962 0.161 1.00 1.00 H new ATOM 0 HB1 ALA A 15 2.426 7.064 -1.048 1.00 1.00 H new ATOM 0 HB2 ALA A 15 3.284 8.308 -1.989 1.00 1.00 H new ATOM 0 HB3 ALA A 15 3.492 6.587 -2.391 1.00 1.00 H new ATOM 231 N PHE A 16 5.080 4.825 -0.666 1.00 1.00 N ATOM 232 CA PHE A 16 5.171 3.470 -0.131 1.00 1.00 C ATOM 233 C PHE A 16 5.973 3.459 1.168 1.00 1.00 C ATOM 234 O PHE A 16 5.642 2.729 2.119 1.00 1.00 O ATOM 235 CB PHE A 16 5.855 2.566 -1.164 1.00 1.00 C ATOM 236 CG PHE A 16 5.949 1.093 -0.752 1.00 1.00 C ATOM 237 CD1 PHE A 16 4.947 0.214 -1.090 1.00 1.00 C ATOM 238 CD2 PHE A 16 7.070 0.613 -0.092 1.00 1.00 C ATOM 239 CE1 PHE A 16 5.025 -1.138 -0.758 1.00 1.00 C ATOM 240 CE2 PHE A 16 7.174 -0.737 0.248 1.00 1.00 C ATOM 241 CZ PHE A 16 6.147 -1.611 -0.074 1.00 1.00 C ATOM 0 H PHE A 16 5.450 4.930 -1.611 1.00 1.00 H new ATOM 0 HA PHE A 16 4.166 3.103 0.078 1.00 1.00 H new ATOM 0 HB2 PHE A 16 5.310 2.633 -2.105 1.00 1.00 H new ATOM 0 HB3 PHE A 16 6.860 2.944 -1.350 1.00 1.00 H new ATOM 0 HD1 PHE A 16 4.082 0.578 -1.624 1.00 1.00 H new ATOM 0 HD2 PHE A 16 7.871 1.291 0.162 1.00 1.00 H new ATOM 0 HE1 PHE A 16 4.226 -1.813 -1.027 1.00 1.00 H new ATOM 0 HE2 PHE A 16 8.053 -1.100 0.761 1.00 1.00 H new ATOM 0 HZ PHE A 16 6.214 -2.653 0.203 1.00 1.00 H new ATOM 251 N SER A 17 7.035 4.264 1.195 1.00 1.00 N ATOM 252 CA SER A 17 7.936 4.317 2.341 1.00 1.00 C ATOM 253 C SER A 17 7.205 4.730 3.618 1.00 1.00 C ATOM 254 O SER A 17 7.562 4.315 4.716 1.00 1.00 O ATOM 255 CB SER A 17 9.109 5.283 2.050 1.00 1.00 C ATOM 256 OG SER A 17 10.120 5.158 3.036 1.00 1.00 O ATOM 0 H SER A 17 7.291 4.890 0.432 1.00 1.00 H new ATOM 0 HA SER A 17 8.331 3.314 2.502 1.00 1.00 H new ATOM 0 HB2 SER A 17 9.526 5.070 1.066 1.00 1.00 H new ATOM 0 HB3 SER A 17 8.743 6.310 2.026 1.00 1.00 H new ATOM 0 HG SER A 17 10.853 5.776 2.833 1.00 1.00 H new ATOM 262 N LEU A 18 6.192 5.576 3.478 1.00 1.00 N ATOM 263 CA LEU A 18 5.424 6.006 4.633 1.00 1.00 C ATOM 264 C LEU A 18 4.664 4.849 5.286 1.00 1.00 C ATOM 265 O LEU A 18 4.567 4.787 6.516 1.00 1.00 O ATOM 266 CB LEU A 18 4.503 7.189 4.249 1.00 1.00 C ATOM 267 CG LEU A 18 4.328 8.004 5.605 1.00 0.00 C ATOM 268 CD1 LEU A 18 5.254 9.215 5.672 1.00 0.00 C ATOM 269 CD2 LEU A 18 2.868 8.278 6.007 1.00 0.00 C ATOM 0 H LEU A 18 5.888 5.972 2.588 1.00 1.00 H new ATOM 0 HA LEU A 18 6.119 6.361 5.394 1.00 1.00 H new ATOM 0 HB2 LEU A 18 4.950 7.805 3.469 1.00 1.00 H new ATOM 0 HB3 LEU A 18 3.544 6.839 3.868 1.00 1.00 H new ATOM 0 HG LEU A 18 4.665 7.337 6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.099 9.740 6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.291 8.884 5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.035 9.887 4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.847 8.838 6.942 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.378 8.859 5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.343 7.332 6.139 1.00 0.00 H new ATOM 281 N PHE A 19 4.175 3.912 4.475 1.00 1.00 N ATOM 282 CA PHE A 19 3.487 2.725 4.992 1.00 1.00 C ATOM 283 C PHE A 19 4.466 1.676 5.509 1.00 1.00 C ATOM 284 O PHE A 19 4.221 1.010 6.537 1.00 1.00 O ATOM 285 CB PHE A 19 2.621 2.108 3.889 1.00 1.00 C ATOM 286 CG PHE A 19 1.333 2.683 3.754 1.00 0.00 C ATOM 287 CD1 PHE A 19 0.409 2.587 4.764 1.00 0.00 C ATOM 288 CD2 PHE A 19 1.045 3.322 2.614 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.806 3.165 4.612 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.136 3.875 2.453 1.00 0.00 C ATOM 291 CZ PHE A 19 -1.073 3.813 3.449 1.00 0.00 C ATOM 0 H PHE A 19 4.241 3.950 3.458 1.00 1.00 H new ATOM 0 HA PHE A 19 2.865 3.045 5.828 1.00 1.00 H new ATOM 0 HB2 PHE A 19 3.147 2.201 2.939 1.00 1.00 H new ATOM 0 HB3 PHE A 19 2.509 1.042 4.088 1.00 1.00 H new ATOM 0 HD1 PHE A 19 0.649 2.055 5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.782 3.383 1.827 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.545 3.112 5.397 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.369 4.382 1.528 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.034 4.284 3.308 1.00 0.00 H new ATOM 301 N ASP A 20 5.577 1.526 4.802 1.00 1.00 N ATOM 302 CA ASP A 20 6.562 0.489 5.129 1.00 1.00 C ATOM 303 C ASP A 20 7.566 1.018 6.143 1.00 1.00 C ATOM 304 O ASP A 20 8.731 1.213 5.823 1.00 1.00 O ATOM 305 CB ASP A 20 7.283 0.082 3.853 1.00 1.00 C ATOM 306 CG ASP A 20 8.272 -1.020 4.079 1.00 1.00 C ATOM 307 OD1 ASP A 20 8.123 -1.731 5.094 1.00 1.00 O ATOM 308 OD2 ASP A 20 9.232 -1.229 3.308 1.00 1.00 O ATOM 0 H ASP A 20 5.824 2.105 3.999 1.00 1.00 H new ATOM 0 HA ASP A 20 6.055 -0.373 5.562 1.00 1.00 H new ATOM 0 HB2 ASP A 20 6.550 -0.238 3.112 1.00 1.00 H new ATOM 0 HB3 ASP A 20 7.798 0.949 3.438 1.00 1.00 H new ATOM 313 N LYS A 21 7.102 1.229 7.367 1.00 1.00 N ATOM 314 CA LYS A 21 7.897 1.858 8.411 1.00 1.00 C ATOM 315 C LYS A 21 9.120 1.065 8.816 1.00 1.00 C ATOM 316 O LYS A 21 10.114 1.642 9.258 1.00 1.00 O ATOM 317 CB LYS A 21 7.030 2.150 9.642 1.00 1.00 C ATOM 318 CG LYS A 21 6.034 3.284 9.446 1.00 1.00 C ATOM 319 CD LYS A 21 5.113 3.463 10.663 1.00 1.00 C ATOM 320 CE LYS A 21 4.322 4.781 10.591 1.00 1.00 C ATOM 321 NZ LYS A 21 3.379 4.888 9.427 1.00 1.00 N ATOM 0 H LYS A 21 6.162 0.968 7.664 1.00 1.00 H new ATOM 0 HA LYS A 21 8.266 2.790 7.982 1.00 1.00 H new ATOM 0 HB2 LYS A 21 6.486 1.245 9.912 1.00 1.00 H new ATOM 0 HB3 LYS A 21 7.681 2.393 10.482 1.00 1.00 H new ATOM 0 HG2 LYS A 21 6.574 4.212 9.262 1.00 1.00 H new ATOM 0 HG3 LYS A 21 5.430 3.086 8.561 1.00 1.00 H new ATOM 0 HD2 LYS A 21 4.419 2.625 10.720 1.00 1.00 H new ATOM 0 HD3 LYS A 21 5.709 3.446 11.576 1.00 1.00 H new ATOM 0 HE2 LYS A 21 3.753 4.897 11.513 1.00 1.00 H new ATOM 0 HE3 LYS A 21 5.028 5.610 10.546 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 2.866 5.791 9.478 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 3.918 4.845 8.539 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 2.699 4.102 9.458 1.00 1.00 H new ATOM 335 N ASP A 22 9.063 -0.254 8.676 1.00 1.00 N ATOM 336 CA ASP A 22 10.229 -1.063 9.044 1.00 1.00 C ATOM 337 C ASP A 22 11.189 -1.287 7.867 1.00 1.00 C ATOM 338 O ASP A 22 12.237 -1.902 8.007 1.00 1.00 O ATOM 339 CB ASP A 22 9.844 -2.365 9.775 1.00 1.00 C ATOM 340 CG ASP A 22 9.058 -3.333 8.914 1.00 1.00 C ATOM 341 OD1 ASP A 22 8.803 -3.034 7.723 1.00 1.00 O ATOM 342 OD2 ASP A 22 8.642 -4.437 9.365 1.00 1.00 O ATOM 0 H ASP A 22 8.259 -0.774 8.325 1.00 1.00 H new ATOM 0 HA ASP A 22 10.790 -0.476 9.771 1.00 1.00 H new ATOM 0 HB2 ASP A 22 10.751 -2.857 10.125 1.00 1.00 H new ATOM 0 HB3 ASP A 22 9.255 -2.116 10.658 1.00 1.00 H new ATOM 347 N GLY A 23 10.830 -0.738 6.714 1.00 1.00 N ATOM 348 CA GLY A 23 11.655 -0.822 5.528 1.00 1.00 C ATOM 349 C GLY A 23 11.914 -2.221 5.002 1.00 1.00 C ATOM 350 O GLY A 23 12.917 -2.433 4.316 1.00 1.00 O ATOM 0 H GLY A 23 9.959 -0.224 6.580 1.00 1.00 H new ATOM 0 HA2 GLY A 23 11.183 -0.239 4.738 1.00 1.00 H new ATOM 0 HA3 GLY A 23 12.615 -0.351 5.742 1.00 1.00 H new ATOM 354 N ASP A 24 11.021 -3.165 5.309 1.00 1.00 N ATOM 355 CA ASP A 24 11.199 -4.551 4.870 1.00 1.00 C ATOM 356 C ASP A 24 10.603 -4.828 3.491 1.00 1.00 C ATOM 357 O ASP A 24 10.569 -5.970 3.034 1.00 1.00 O ATOM 358 CB ASP A 24 10.735 -5.571 5.934 1.00 1.00 C ATOM 359 CG ASP A 24 9.238 -5.878 5.885 1.00 1.00 C ATOM 360 OD1 ASP A 24 8.447 -5.055 5.372 1.00 1.00 O ATOM 361 OD2 ASP A 24 8.755 -6.930 6.365 1.00 1.00 O ATOM 0 H ASP A 24 10.175 -2.998 5.854 1.00 1.00 H new ATOM 0 HA ASP A 24 12.274 -4.690 4.757 1.00 1.00 H new ATOM 0 HB2 ASP A 24 11.291 -6.499 5.801 1.00 1.00 H new ATOM 0 HB3 ASP A 24 10.986 -5.189 6.924 1.00 1.00 H new ATOM 366 N GLY A 25 10.150 -3.768 2.835 1.00 1.00 N ATOM 367 CA GLY A 25 9.676 -3.865 1.475 1.00 1.00 C ATOM 368 C GLY A 25 8.264 -4.360 1.324 1.00 1.00 C ATOM 369 O GLY A 25 7.810 -4.609 0.220 1.00 1.00 O ATOM 0 H GLY A 25 10.104 -2.829 3.232 1.00 1.00 H new ATOM 0 HA2 GLY A 25 9.751 -2.882 1.010 1.00 1.00 H new ATOM 0 HA3 GLY A 25 10.339 -4.531 0.923 1.00 1.00 H new ATOM 373 N THR A 26 7.550 -4.507 2.423 1.00 1.00 N ATOM 374 CA THR A 26 6.170 -4.964 2.310 1.00 1.00 C ATOM 375 C THR A 26 5.323 -4.155 3.246 1.00 1.00 C ATOM 376 O THR A 26 5.827 -3.638 4.239 1.00 1.00 O ATOM 377 CB THR A 26 6.014 -6.475 2.630 1.00 1.00 C ATOM 378 OG1 THR A 26 6.285 -6.723 4.021 1.00 1.00 O ATOM 379 CG2 THR A 26 7.063 -7.304 1.916 1.00 1.00 C ATOM 0 H THR A 26 7.881 -4.326 3.371 1.00 1.00 H new ATOM 0 HA THR A 26 5.850 -4.827 1.277 1.00 1.00 H new ATOM 0 HB THR A 26 4.999 -6.738 2.330 1.00 1.00 H new ATOM 0 HG1 THR A 26 6.986 -6.113 4.332 1.00 1.00 H new ATOM 0 HG21 THR A 26 6.924 -8.357 2.162 1.00 1.00 H new ATOM 0 HG22 THR A 26 6.964 -7.167 0.839 1.00 1.00 H new ATOM 0 HG23 THR A 26 8.056 -6.985 2.232 1.00 1.00 H new ATOM 387 N ILE A 27 4.052 -4.004 2.895 1.00 1.00 N ATOM 388 CA ILE A 27 3.092 -3.371 3.783 1.00 1.00 C ATOM 389 C ILE A 27 2.184 -4.462 4.381 1.00 1.00 C ATOM 390 O ILE A 27 1.498 -5.181 3.651 1.00 1.00 O ATOM 391 CB ILE A 27 2.255 -2.341 3.030 1.00 1.00 C ATOM 392 CG1 ILE A 27 3.113 -1.112 2.737 1.00 0.00 C ATOM 393 CG2 ILE A 27 0.920 -1.928 3.691 1.00 0.00 C ATOM 394 CD1 ILE A 27 2.426 -0.088 1.860 1.00 0.00 C ATOM 0 H ILE A 27 3.665 -4.311 2.003 1.00 1.00 H new ATOM 0 HA ILE A 27 3.623 -2.850 4.580 1.00 1.00 H new ATOM 0 HB ILE A 27 1.944 -2.840 2.112 1.00 1.00 H new ATOM 0 HG12 ILE A 27 3.393 -0.641 3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.036 -1.431 2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.416 -1.193 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.284 -2.806 3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.118 -1.494 4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.095 0.757 1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.171 -0.542 0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.517 0.260 2.351 1.00 0.00 H new ATOM 406 N THR A 28 2.168 -4.563 5.708 1.00 1.00 N ATOM 407 CA THR A 28 1.344 -5.564 6.406 1.00 1.00 C ATOM 408 C THR A 28 0.031 -4.961 6.883 1.00 1.00 C ATOM 409 O THR A 28 -0.186 -3.759 6.772 1.00 1.00 O ATOM 410 CB THR A 28 2.068 -6.055 7.642 1.00 1.00 C ATOM 411 OG1 THR A 28 2.334 -4.944 8.509 1.00 1.00 O ATOM 412 CG2 THR A 28 3.445 -6.598 7.290 1.00 1.00 C ATOM 0 H THR A 28 2.715 -3.966 6.328 1.00 1.00 H new ATOM 0 HA THR A 28 1.156 -6.373 5.700 1.00 1.00 H new ATOM 0 HB THR A 28 1.438 -6.819 8.098 1.00 1.00 H new ATOM 0 HG1 THR A 28 2.801 -5.259 9.311 1.00 1.00 H new ATOM 0 HG21 THR A 28 3.942 -6.944 8.196 1.00 1.00 H new ATOM 0 HG22 THR A 28 3.341 -7.430 6.593 1.00 1.00 H new ATOM 0 HG23 THR A 28 4.040 -5.810 6.828 1.00 1.00 H new ATOM 420 N THR A 29 -0.852 -5.794 7.420 1.00 1.00 N ATOM 421 CA THR A 29 -2.088 -5.254 7.950 1.00 1.00 C ATOM 422 C THR A 29 -1.783 -4.334 9.108 1.00 1.00 C ATOM 423 O THR A 29 -2.486 -3.349 9.308 1.00 1.00 O ATOM 424 CB THR A 29 -3.059 -6.359 8.394 1.00 1.00 C ATOM 425 OG1 THR A 29 -2.402 -7.251 9.310 1.00 1.00 O ATOM 426 CG2 THR A 29 -3.457 -7.216 7.190 1.00 1.00 C ATOM 0 H THR A 29 -0.740 -6.805 7.497 1.00 1.00 H new ATOM 0 HA THR A 29 -2.577 -4.696 7.152 1.00 1.00 H new ATOM 0 HB THR A 29 -3.924 -5.878 8.851 1.00 1.00 H new ATOM 0 HG1 THR A 29 -3.068 -7.663 9.900 1.00 1.00 H new ATOM 0 HG21 THR A 29 -4.145 -7.998 7.511 1.00 1.00 H new ATOM 0 HG22 THR A 29 -3.943 -6.589 6.442 1.00 1.00 H new ATOM 0 HG23 THR A 29 -2.566 -7.672 6.758 1.00 1.00 H new ATOM 434 N LYS A 30 -0.744 -4.666 9.878 1.00 1.00 N ATOM 435 CA LYS A 30 -0.381 -3.851 11.029 1.00 1.00 C ATOM 436 C LYS A 30 0.008 -2.479 10.548 1.00 1.00 C ATOM 437 O LYS A 30 -0.417 -1.470 11.105 1.00 1.00 O ATOM 438 CB LYS A 30 0.772 -4.488 11.828 1.00 1.00 C ATOM 439 CG LYS A 30 1.314 -3.603 12.956 1.00 1.00 C ATOM 440 CD LYS A 30 2.333 -4.357 13.817 1.00 1.00 C ATOM 441 CE LYS A 30 2.789 -3.536 15.027 1.00 1.00 C ATOM 442 NZ LYS A 30 3.887 -4.224 15.793 1.00 1.00 N ATOM 0 H LYS A 30 -0.150 -5.481 9.725 1.00 1.00 H new ATOM 0 HA LYS A 30 -1.238 -3.781 11.698 1.00 1.00 H new ATOM 0 HB2 LYS A 30 0.428 -5.431 12.254 1.00 1.00 H new ATOM 0 HB3 LYS A 30 1.586 -4.726 11.144 1.00 1.00 H new ATOM 0 HG2 LYS A 30 1.781 -2.714 12.531 1.00 1.00 H new ATOM 0 HG3 LYS A 30 0.489 -3.261 13.581 1.00 1.00 H new ATOM 0 HD2 LYS A 30 1.894 -5.293 14.160 1.00 1.00 H new ATOM 0 HD3 LYS A 30 3.199 -4.616 13.208 1.00 1.00 H new ATOM 0 HE2 LYS A 30 3.138 -2.559 14.692 1.00 1.00 H new ATOM 0 HE3 LYS A 30 1.940 -3.362 15.688 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 4.166 -3.635 16.603 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 3.547 -5.145 16.135 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 4.707 -4.367 15.170 1.00 1.00 H new ATOM 456 N GLU A 31 0.830 -2.444 9.510 1.00 1.00 N ATOM 457 CA GLU A 31 1.291 -1.172 8.959 1.00 1.00 C ATOM 458 C GLU A 31 0.165 -0.370 8.338 1.00 1.00 C ATOM 459 O GLU A 31 0.096 0.831 8.531 1.00 1.00 O ATOM 460 CB GLU A 31 2.435 -1.395 7.968 1.00 1.00 C ATOM 461 CG GLU A 31 3.739 -1.754 8.668 1.00 1.00 C ATOM 462 CD GLU A 31 4.833 -2.188 7.711 1.00 1.00 C ATOM 463 OE1 GLU A 31 4.522 -2.870 6.708 1.00 1.00 O ATOM 464 OE2 GLU A 31 6.017 -1.856 7.960 1.00 1.00 O ATOM 0 H GLU A 31 1.190 -3.271 9.034 1.00 1.00 H new ATOM 0 HA GLU A 31 1.670 -0.577 9.790 1.00 1.00 H new ATOM 0 HB2 GLU A 31 2.164 -2.193 7.276 1.00 1.00 H new ATOM 0 HB3 GLU A 31 2.580 -0.493 7.374 1.00 1.00 H new ATOM 0 HG2 GLU A 31 4.086 -0.893 9.239 1.00 1.00 H new ATOM 0 HG3 GLU A 31 3.551 -2.556 9.382 1.00 1.00 H new ATOM 471 N LEU A 32 -0.723 -1.036 7.601 1.00 1.00 N ATOM 472 CA LEU A 32 -1.858 -0.336 6.996 1.00 1.00 C ATOM 473 C LEU A 32 -2.787 0.178 8.089 1.00 1.00 C ATOM 474 O LEU A 32 -3.313 1.291 8.015 1.00 1.00 O ATOM 475 CB LEU A 32 -2.616 -1.277 6.063 1.00 1.00 C ATOM 476 CG LEU A 32 -3.830 -0.665 5.364 1.00 0.00 C ATOM 477 CD1 LEU A 32 -3.388 0.356 4.329 1.00 0.00 C ATOM 478 CD2 LEU A 32 -4.674 -1.752 4.716 1.00 0.00 C ATOM 0 H LEU A 32 -0.683 -2.037 7.410 1.00 1.00 H new ATOM 0 HA LEU A 32 -1.488 0.510 6.416 1.00 1.00 H new ATOM 0 HB2 LEU A 32 -1.926 -1.642 5.303 1.00 1.00 H new ATOM 0 HB3 LEU A 32 -2.946 -2.143 6.637 1.00 1.00 H new ATOM 0 HG LEU A 32 -4.439 -0.156 6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.264 0.782 3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.824 1.150 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.758 -0.130 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.534 -1.299 4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.074 -2.288 3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.019 -2.449 5.480 1.00 0.00 H new ATOM 490 N GLY A 33 -3.010 -0.654 9.104 1.00 1.00 N ATOM 491 CA GLY A 33 -3.889 -0.269 10.188 1.00 1.00 C ATOM 492 C GLY A 33 -3.355 0.926 10.944 1.00 1.00 C ATOM 493 O GLY A 33 -4.116 1.770 11.390 1.00 1.00 O ATOM 0 H GLY A 33 -2.598 -1.583 9.192 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -4.877 -0.036 9.790 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -4.011 -1.108 10.873 1.00 1.00 H new ATOM 497 N THR A 34 -2.039 0.970 11.120 1.00 1.00 N ATOM 498 CA THR A 34 -1.413 2.048 11.854 1.00 1.00 C ATOM 499 C THR A 34 -1.695 3.343 11.127 1.00 1.00 C ATOM 500 O THR A 34 -2.078 4.350 11.729 1.00 1.00 O ATOM 501 CB THR A 34 0.111 1.798 11.959 1.00 1.00 C ATOM 502 OG1 THR A 34 0.347 0.671 12.823 1.00 1.00 O ATOM 503 CG2 THR A 34 0.774 2.939 12.676 1.00 1.00 C ATOM 0 H THR A 34 -1.391 0.269 10.762 1.00 1.00 H new ATOM 0 HA THR A 34 -1.815 2.103 12.866 1.00 1.00 H new ATOM 0 HB THR A 34 0.491 1.659 10.947 1.00 1.00 H new ATOM 0 HG1 THR A 34 0.119 -0.157 12.351 1.00 1.00 H new ATOM 0 HG21 THR A 34 1.846 2.752 12.744 1.00 1.00 H new ATOM 0 HG22 THR A 34 0.601 3.864 12.126 1.00 1.00 H new ATOM 0 HG23 THR A 34 0.357 3.030 13.679 1.00 1.00 H new ATOM 511 N VAL A 35 -1.526 3.316 9.814 1.00 1.00 N ATOM 512 CA VAL A 35 -1.753 4.538 9.036 1.00 1.00 C ATOM 513 C VAL A 35 -3.227 4.934 9.048 1.00 1.00 C ATOM 514 O VAL A 35 -3.567 6.096 9.208 1.00 1.00 O ATOM 515 CB VAL A 35 -1.251 4.427 7.578 1.00 1.00 C ATOM 516 CG1 VAL A 35 -1.785 5.619 6.735 1.00 1.00 C ATOM 517 CG2 VAL A 35 0.270 4.366 7.534 1.00 1.00 C ATOM 0 H VAL A 35 -1.243 2.498 9.275 1.00 1.00 H new ATOM 0 HA VAL A 35 -1.167 5.317 9.524 1.00 1.00 H new ATOM 0 HB VAL A 35 -1.634 3.502 7.147 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -1.425 5.530 5.710 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -2.875 5.608 6.739 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -1.430 6.556 7.164 1.00 1.00 H new ATOM 0 HG21 VAL A 35 0.601 4.288 6.498 1.00 1.00 H new ATOM 0 HG22 VAL A 35 0.683 5.270 7.980 1.00 1.00 H new ATOM 0 HG23 VAL A 35 0.616 3.496 8.092 1.00 1.00 H new ATOM 527 N MET A 36 -4.116 3.962 8.878 1.00 1.00 N ATOM 528 CA MET A 36 -5.538 4.265 8.862 1.00 1.00 C ATOM 529 C MET A 36 -6.007 4.857 10.164 1.00 1.00 C ATOM 530 O MET A 36 -6.762 5.818 10.177 1.00 1.00 O ATOM 531 CB MET A 36 -6.332 2.993 8.593 1.00 1.00 C ATOM 532 CG MET A 36 -6.228 2.561 7.188 1.00 1.00 C ATOM 533 SD MET A 36 -7.359 1.265 6.826 1.00 1.00 S ATOM 534 CE MET A 36 -9.005 2.030 7.009 1.00 1.00 C ATOM 0 H MET A 36 -3.882 2.977 8.752 1.00 1.00 H new ATOM 0 HA MET A 36 -5.702 4.999 8.073 1.00 1.00 H new ATOM 0 HB2 MET A 36 -5.972 2.197 9.244 1.00 1.00 H new ATOM 0 HB3 MET A 36 -7.379 3.160 8.844 1.00 1.00 H new ATOM 0 HG2 MET A 36 -6.422 3.409 6.531 1.00 1.00 H new ATOM 0 HG3 MET A 36 -5.211 2.225 6.984 1.00 1.00 H new ATOM 0 HE1 MET A 36 -9.771 1.327 6.681 1.00 1.00 H new ATOM 0 HE2 MET A 36 -9.172 2.287 8.055 1.00 1.00 H new ATOM 0 HE3 MET A 36 -9.056 2.933 6.400 1.00 1.00 H new ATOM 544 N ARG A 37 -5.587 4.257 11.274 1.00 1.00 N ATOM 545 CA ARG A 37 -6.004 4.775 12.563 1.00 1.00 C ATOM 546 C ARG A 37 -5.457 6.174 12.764 1.00 1.00 C ATOM 547 O ARG A 37 -6.117 7.028 13.351 1.00 1.00 O ATOM 548 CB ARG A 37 -5.568 3.853 13.689 1.00 1.00 C ATOM 549 CG ARG A 37 -6.343 2.560 13.706 1.00 1.00 C ATOM 550 CD ARG A 37 -5.803 1.529 14.687 1.00 1.00 C ATOM 551 NE ARG A 37 -6.357 0.208 14.422 1.00 1.00 N ATOM 552 CZ ARG A 37 -5.670 -0.792 13.889 1.00 1.00 C ATOM 553 NH1 ARG A 37 -4.394 -0.622 13.562 1.00 1.00 N ATOM 554 NH2 ARG A 37 -6.254 -1.969 13.694 1.00 1.00 N ATOM 0 H ARG A 37 -4.979 3.439 11.305 1.00 1.00 H new ATOM 0 HA ARG A 37 -7.093 4.823 12.580 1.00 1.00 H new ATOM 0 HB2 ARG A 37 -4.505 3.635 13.585 1.00 1.00 H new ATOM 0 HB3 ARG A 37 -5.697 4.363 14.643 1.00 1.00 H new ATOM 0 HG2 ARG A 37 -7.382 2.774 13.955 1.00 1.00 H new ATOM 0 HG3 ARG A 37 -6.337 2.131 12.704 1.00 1.00 H new ATOM 0 HD2 ARG A 37 -4.716 1.491 14.617 1.00 1.00 H new ATOM 0 HD3 ARG A 37 -6.046 1.830 15.706 1.00 1.00 H new ATOM 0 HE ARG A 37 -7.335 0.042 14.662 1.00 1.00 H new ATOM 0 HH11 ARG A 37 -3.942 0.279 13.721 1.00 1.00 H new ATOM 0 HH12 ARG A 37 -3.866 -1.392 13.152 1.00 1.00 H new ATOM 0 HH21 ARG A 37 -7.231 -2.103 13.954 1.00 1.00 H new ATOM 0 HH22 ARG A 37 -5.725 -2.739 13.284 1.00 1.00 H new ATOM 568 N SER A 38 -4.257 6.423 12.247 1.00 1.00 N ATOM 569 CA SER A 38 -3.652 7.746 12.384 1.00 1.00 C ATOM 570 C SER A 38 -4.442 8.801 11.614 1.00 1.00 C ATOM 571 O SER A 38 -4.322 10.000 11.883 1.00 1.00 O ATOM 572 CB SER A 38 -2.181 7.741 11.941 1.00 1.00 C ATOM 573 OG SER A 38 -2.063 8.071 10.565 1.00 1.00 O ATOM 0 H SER A 38 -3.693 5.742 11.739 1.00 1.00 H new ATOM 0 HA SER A 38 -3.683 8.006 13.442 1.00 1.00 H new ATOM 0 HB2 SER A 38 -1.615 8.455 12.540 1.00 1.00 H new ATOM 0 HB3 SER A 38 -1.746 6.758 12.121 1.00 1.00 H new ATOM 0 HG SER A 38 -2.523 7.394 10.026 1.00 1.00 H new ATOM 579 N LEU A 39 -5.256 8.350 10.663 1.00 1.00 N ATOM 580 CA LEU A 39 -6.099 9.238 9.870 1.00 1.00 C ATOM 581 C LEU A 39 -7.561 9.263 10.369 1.00 1.00 C ATOM 582 O LEU A 39 -8.470 9.686 9.645 1.00 1.00 O ATOM 583 CB LEU A 39 -6.023 8.863 8.390 1.00 1.00 C ATOM 584 CG LEU A 39 -4.613 8.547 7.895 1.00 0.00 C ATOM 585 CD1 LEU A 39 -4.666 7.615 6.697 1.00 0.00 C ATOM 586 CD2 LEU A 39 -3.852 9.821 7.567 1.00 0.00 C ATOM 0 H LEU A 39 -5.349 7.363 10.422 1.00 1.00 H new ATOM 0 HA LEU A 39 -5.714 10.250 9.993 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -6.661 7.997 8.213 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -6.428 9.683 7.798 1.00 1.00 H new ATOM 0 HG LEU A 39 -4.075 8.039 8.696 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.653 7.401 6.358 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.158 6.685 6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.226 8.090 5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.851 9.567 7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.381 10.370 6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.777 10.441 8.461 1.00 0.00 H new ATOM 598 N GLY A 40 -7.777 8.795 11.601 1.00 1.00 N ATOM 599 CA GLY A 40 -9.091 8.834 12.240 1.00 1.00 C ATOM 600 C GLY A 40 -10.059 7.698 11.955 1.00 1.00 C ATOM 601 O GLY A 40 -11.212 7.706 12.426 1.00 1.00 O ATOM 0 H GLY A 40 -7.047 8.380 12.180 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -8.936 8.878 13.318 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -9.576 9.766 11.949 1.00 1.00 H new ATOM 605 N GLN A 41 -9.610 6.723 11.183 1.00 1.00 N ATOM 606 CA GLN A 41 -10.460 5.588 10.847 1.00 1.00 C ATOM 607 C GLN A 41 -10.394 4.533 11.932 1.00 1.00 C ATOM 608 O GLN A 41 -9.484 4.528 12.763 1.00 1.00 O ATOM 609 CB GLN A 41 -10.040 4.986 9.508 1.00 1.00 C ATOM 610 CG GLN A 41 -9.860 6.024 8.424 1.00 1.00 C ATOM 611 CD GLN A 41 -11.090 6.862 8.244 1.00 1.00 C ATOM 612 OE1 GLN A 41 -12.174 6.329 7.944 1.00 1.00 O ATOM 613 NE2 GLN A 41 -10.949 8.183 8.434 1.00 1.00 N ATOM 0 H GLN A 41 -8.674 6.691 10.780 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.487 5.943 10.767 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -9.106 4.439 9.639 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -10.791 4.263 9.190 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -9.016 6.667 8.673 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -9.617 5.529 7.484 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -10.037 8.569 8.679 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -11.754 8.801 8.334 1.00 1.00 H new ATOM 622 N ASN A 42 -11.364 3.627 11.926 1.00 1.00 N ATOM 623 CA ASN A 42 -11.405 2.588 12.943 1.00 1.00 C ATOM 624 C ASN A 42 -11.655 1.226 12.351 1.00 1.00 C ATOM 625 O ASN A 42 -12.600 0.537 12.730 1.00 1.00 O ATOM 626 CB ASN A 42 -12.508 2.909 13.929 1.00 1.00 C ATOM 627 CG ASN A 42 -12.307 4.240 14.577 1.00 1.00 C ATOM 628 OD1 ASN A 42 -11.572 4.357 15.564 1.00 1.00 O ATOM 629 ND2 ASN A 42 -12.927 5.268 14.017 1.00 1.00 N ATOM 0 H ASN A 42 -12.119 3.591 11.241 1.00 1.00 H new ATOM 0 HA ASN A 42 -10.434 2.563 13.437 1.00 1.00 H new ATOM 0 HB2 ASN A 42 -13.469 2.897 13.415 1.00 1.00 H new ATOM 0 HB3 ASN A 42 -12.547 2.135 14.695 1.00 1.00 H new ATOM 0 HD21 ASN A 42 -12.807 6.206 14.400 1.00 1.00 H new ATOM 0 HD22 ASN A 42 -13.524 5.122 13.203 1.00 1.00 H new ATOM 636 N PRO A 43 -10.774 0.792 11.465 1.00 1.00 N ATOM 637 CA PRO A 43 -10.984 -0.504 10.813 1.00 1.00 C ATOM 638 C PRO A 43 -10.836 -1.695 11.753 1.00 1.00 C ATOM 639 O PRO A 43 -10.131 -1.622 12.768 1.00 1.00 O ATOM 640 CB PRO A 43 -9.859 -0.586 9.809 1.00 1.00 C ATOM 641 CG PRO A 43 -8.829 0.414 10.245 1.00 1.00 C ATOM 642 CD PRO A 43 -9.513 1.443 11.082 1.00 1.00 C ATOM 0 HA PRO A 43 -11.994 -0.554 10.406 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -9.437 -1.591 9.780 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -10.218 -0.361 8.804 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -8.038 -0.076 10.813 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -8.358 0.879 9.379 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -8.918 1.710 11.955 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -9.689 2.362 10.523 1.00 1.00 H new ATOM 650 N THR A 44 -11.488 -2.798 11.401 1.00 1.00 N ATOM 651 CA THR A 44 -11.320 -4.028 12.141 1.00 1.00 C ATOM 652 C THR A 44 -10.230 -4.833 11.438 1.00 1.00 C ATOM 653 O THR A 44 -9.884 -4.565 10.287 1.00 1.00 O ATOM 654 CB THR A 44 -12.617 -4.842 12.145 1.00 1.00 C ATOM 655 OG1 THR A 44 -13.060 -5.038 10.794 1.00 1.00 O ATOM 656 CG2 THR A 44 -13.756 -4.069 12.840 1.00 1.00 C ATOM 0 H THR A 44 -12.132 -2.859 10.612 1.00 1.00 H new ATOM 0 HA THR A 44 -11.054 -3.806 13.175 1.00 1.00 H new ATOM 0 HB THR A 44 -12.408 -5.779 12.661 1.00 1.00 H new ATOM 0 HG1 THR A 44 -13.889 -5.560 10.794 1.00 1.00 H new ATOM 0 HG21 THR A 44 -14.665 -4.671 12.828 1.00 1.00 H new ATOM 0 HG22 THR A 44 -13.475 -3.857 13.872 1.00 1.00 H new ATOM 0 HG23 THR A 44 -13.935 -3.132 12.312 1.00 1.00 H new ATOM 664 N GLU A 45 -9.673 -5.812 12.127 1.00 1.00 N ATOM 665 CA GLU A 45 -8.657 -6.654 11.518 1.00 1.00 C ATOM 666 C GLU A 45 -9.179 -7.349 10.266 1.00 1.00 C ATOM 667 O GLU A 45 -8.436 -7.544 9.304 1.00 1.00 O ATOM 668 CB GLU A 45 -8.157 -7.712 12.516 1.00 1.00 C ATOM 669 CG GLU A 45 -7.040 -8.564 11.941 1.00 1.00 C ATOM 670 CD GLU A 45 -5.757 -7.788 11.714 1.00 1.00 C ATOM 671 OE1 GLU A 45 -5.564 -6.723 12.345 1.00 1.00 O ATOM 672 OE2 GLU A 45 -4.933 -8.249 10.889 1.00 1.00 O ATOM 0 H GLU A 45 -9.901 -6.043 13.094 1.00 1.00 H new ATOM 0 HA GLU A 45 -7.830 -6.003 11.234 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -7.804 -7.217 13.421 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -8.988 -8.355 12.808 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -6.840 -9.395 12.617 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -7.369 -8.995 10.995 1.00 1.00 H new ATOM 679 N ALA A 46 -10.449 -7.757 10.292 1.00 1.00 N ATOM 680 CA ALA A 46 -11.073 -8.373 9.131 1.00 1.00 C ATOM 681 C ALA A 46 -11.101 -7.379 7.976 1.00 1.00 C ATOM 682 O ALA A 46 -10.793 -7.730 6.828 1.00 1.00 O ATOM 683 CB ALA A 46 -12.489 -8.824 9.453 1.00 1.00 C ATOM 0 H ALA A 46 -11.060 -7.670 11.104 1.00 1.00 H new ATOM 0 HA ALA A 46 -10.488 -9.248 8.848 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -12.935 -9.281 8.570 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -12.464 -9.551 10.265 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -13.085 -7.963 9.756 1.00 1.00 H new ATOM 689 N GLU A 47 -11.494 -6.147 8.262 1.00 1.00 N ATOM 690 CA GLU A 47 -11.455 -5.155 7.184 1.00 1.00 C ATOM 691 C GLU A 47 -10.029 -4.968 6.647 1.00 1.00 C ATOM 692 O GLU A 47 -9.804 -4.883 5.427 1.00 1.00 O ATOM 693 CB GLU A 47 -12.019 -3.805 7.631 1.00 1.00 C ATOM 694 CG GLU A 47 -12.070 -2.809 6.472 1.00 1.00 C ATOM 695 CD GLU A 47 -12.771 -1.533 6.851 1.00 1.00 C ATOM 696 OE1 GLU A 47 -12.702 -1.164 8.041 1.00 1.00 O ATOM 697 OE2 GLU A 47 -13.401 -0.914 5.968 1.00 1.00 O ATOM 0 H GLU A 47 -11.825 -5.818 9.169 1.00 1.00 H new ATOM 0 HA GLU A 47 -12.085 -5.542 6.383 1.00 1.00 H new ATOM 0 HB2 GLU A 47 -13.021 -3.944 8.037 1.00 1.00 H new ATOM 0 HB3 GLU A 47 -11.403 -3.400 8.434 1.00 1.00 H new ATOM 0 HG2 GLU A 47 -11.055 -2.581 6.146 1.00 1.00 H new ATOM 0 HG3 GLU A 47 -12.582 -3.265 5.625 1.00 1.00 H new ATOM 704 N LEU A 48 -9.050 -4.899 7.539 1.00 1.00 N ATOM 705 CA LEU A 48 -7.694 -4.657 7.049 1.00 1.00 C ATOM 706 C LEU A 48 -7.239 -5.799 6.148 1.00 1.00 C ATOM 707 O LEU A 48 -6.581 -5.577 5.128 1.00 1.00 O ATOM 708 CB LEU A 48 -6.686 -4.450 8.197 1.00 1.00 C ATOM 709 CG LEU A 48 -6.913 -3.221 9.070 1.00 1.00 C ATOM 710 CD1 LEU A 48 -6.109 -3.323 10.340 1.00 1.00 C ATOM 711 CD2 LEU A 48 -6.499 -2.003 8.296 1.00 1.00 C ATOM 0 H LEU A 48 -9.153 -5.000 8.549 1.00 1.00 H new ATOM 0 HA LEU A 48 -7.723 -3.733 6.471 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -6.705 -5.333 8.835 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -5.685 -4.388 7.769 1.00 1.00 H new ATOM 0 HG LEU A 48 -7.967 -3.152 9.340 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -6.282 -2.438 10.952 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -6.413 -4.212 10.893 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -5.049 -3.393 10.095 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -6.655 -1.114 8.906 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -5.445 -2.081 8.031 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -7.097 -1.929 7.387 1.00 1.00 H new ATOM 723 N GLN A 49 -7.575 -7.030 6.515 1.00 1.00 N ATOM 724 CA GLN A 49 -7.136 -8.145 5.708 1.00 1.00 C ATOM 725 C GLN A 49 -7.774 -8.117 4.328 1.00 1.00 C ATOM 726 O GLN A 49 -7.131 -8.448 3.321 1.00 1.00 O ATOM 727 CB GLN A 49 -7.451 -9.483 6.391 1.00 1.00 C ATOM 728 CG GLN A 49 -6.771 -10.599 5.679 1.00 1.00 C ATOM 729 CD GLN A 49 -5.278 -10.428 5.666 1.00 1.00 C ATOM 730 OE1 GLN A 49 -4.651 -10.377 6.727 1.00 1.00 O ATOM 731 NE2 GLN A 49 -4.695 -10.317 4.470 1.00 1.00 N ATOM 0 H GLN A 49 -8.130 -7.270 7.337 1.00 1.00 H new ATOM 0 HA GLN A 49 -6.056 -8.050 5.596 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -7.125 -9.454 7.431 1.00 1.00 H new ATOM 0 HB3 GLN A 49 -8.528 -9.650 6.399 1.00 1.00 H new ATOM 0 HG2 GLN A 49 -7.024 -11.544 6.160 1.00 1.00 H new ATOM 0 HG3 GLN A 49 -7.139 -10.654 4.655 1.00 1.00 H new ATOM 0 HE21 GLN A 49 -5.259 -10.366 3.621 1.00 1.00 H new ATOM 0 HE22 GLN A 49 -3.686 -10.183 4.405 1.00 1.00 H new ATOM 740 N ASP A 50 -9.054 -7.750 4.292 1.00 1.00 N ATOM 741 CA ASP A 50 -9.786 -7.626 3.034 1.00 1.00 C ATOM 742 C ASP A 50 -9.165 -6.535 2.157 1.00 1.00 C ATOM 743 O ASP A 50 -9.036 -6.710 0.938 1.00 1.00 O ATOM 744 CB ASP A 50 -11.236 -7.273 3.327 1.00 1.00 C ATOM 745 CG ASP A 50 -12.156 -7.539 2.163 1.00 1.00 C ATOM 746 OD1 ASP A 50 -12.024 -8.600 1.515 1.00 1.00 O ATOM 747 OD2 ASP A 50 -13.074 -6.754 1.847 1.00 1.00 O ATOM 0 H ASP A 50 -9.606 -7.533 5.122 1.00 1.00 H new ATOM 0 HA ASP A 50 -9.734 -8.576 2.502 1.00 1.00 H new ATOM 0 HB2 ASP A 50 -11.576 -7.846 4.190 1.00 1.00 H new ATOM 0 HB3 ASP A 50 -11.299 -6.219 3.599 1.00 1.00 H new ATOM 752 N MET A 51 -8.781 -5.422 2.775 1.00 1.00 N ATOM 753 CA MET A 51 -8.148 -4.314 2.010 1.00 1.00 C ATOM 754 C MET A 51 -6.851 -4.784 1.345 1.00 1.00 C ATOM 755 O MET A 51 -6.617 -4.571 0.167 1.00 1.00 O ATOM 756 CB MET A 51 -7.858 -3.115 2.908 1.00 1.00 C ATOM 757 CG MET A 51 -9.102 -2.373 3.336 1.00 1.00 C ATOM 758 SD MET A 51 -8.825 -1.104 4.578 1.00 1.00 S ATOM 759 CE MET A 51 -7.944 0.210 3.609 1.00 1.00 C ATOM 0 H MET A 51 -8.886 -5.250 3.775 1.00 1.00 H new ATOM 0 HA MET A 51 -8.854 -4.007 1.238 1.00 1.00 H new ATOM 0 HB2 MET A 51 -7.323 -3.455 3.795 1.00 1.00 H new ATOM 0 HB3 MET A 51 -7.196 -2.427 2.381 1.00 1.00 H new ATOM 0 HG2 MET A 51 -9.554 -1.911 2.458 1.00 1.00 H new ATOM 0 HG3 MET A 51 -9.823 -3.092 3.725 1.00 1.00 H new ATOM 0 HE1 MET A 51 -7.035 0.501 4.134 1.00 1.00 H new ATOM 0 HE2 MET A 51 -7.686 -0.177 2.623 1.00 1.00 H new ATOM 0 HE3 MET A 51 -8.594 1.078 3.499 1.00 1.00 H new ATOM 769 N ILE A 52 -6.005 -5.452 2.113 1.00 1.00 N ATOM 770 CA ILE A 52 -4.776 -5.985 1.544 1.00 1.00 C ATOM 771 C ILE A 52 -5.075 -7.029 0.467 1.00 1.00 C ATOM 772 O ILE A 52 -4.459 -7.021 -0.614 1.00 1.00 O ATOM 773 CB ILE A 52 -3.936 -6.645 2.654 1.00 1.00 C ATOM 774 CG1 ILE A 52 -3.592 -5.617 3.733 1.00 0.00 C ATOM 775 CG2 ILE A 52 -2.654 -7.255 2.091 1.00 0.00 C ATOM 776 CD1 ILE A 52 -2.796 -4.440 3.214 1.00 0.00 C ATOM 0 H ILE A 52 -6.140 -5.635 3.107 1.00 1.00 H new ATOM 0 HA ILE A 52 -4.227 -5.159 1.092 1.00 1.00 H new ATOM 0 HB ILE A 52 -4.530 -7.447 3.093 1.00 1.00 H new ATOM 0 HG12 ILE A 52 -4.515 -5.251 4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.025 -6.108 4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.083 -7.713 2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.907 -8.014 1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.055 -6.475 1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.588 -3.752 4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.856 -4.795 2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.369 -3.924 2.444 1.00 0.00 H new ATOM 788 N ASN A 53 -6.009 -7.941 0.767 1.00 1.00 N ATOM 789 CA ASN A 53 -6.334 -9.008 -0.170 1.00 1.00 C ATOM 790 C ASN A 53 -6.659 -8.472 -1.561 1.00 1.00 C ATOM 791 O ASN A 53 -6.286 -9.060 -2.575 1.00 1.00 O ATOM 792 CB ASN A 53 -7.489 -9.900 0.339 1.00 1.00 C ATOM 793 CG ASN A 53 -7.125 -10.710 1.590 1.00 1.00 C ATOM 794 OD1 ASN A 53 -5.955 -10.764 2.001 1.00 1.00 O ATOM 795 ND2 ASN A 53 -8.140 -11.356 2.201 1.00 1.00 N ATOM 0 H ASN A 53 -6.541 -7.957 1.637 1.00 1.00 H new ATOM 0 HA ASN A 53 -5.438 -9.624 -0.244 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -8.353 -9.273 0.559 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -7.787 -10.585 -0.455 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -7.960 -11.916 3.034 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -9.087 -11.284 1.829 1.00 1.00 H new ATOM 802 N GLU A 54 -7.356 -7.347 -1.616 1.00 1.00 N ATOM 803 CA GLU A 54 -7.760 -6.800 -2.898 1.00 1.00 C ATOM 804 C GLU A 54 -6.578 -6.466 -3.808 1.00 1.00 C ATOM 805 O GLU A 54 -6.666 -6.596 -5.028 1.00 1.00 O ATOM 806 CB GLU A 54 -8.606 -5.544 -2.680 1.00 1.00 C ATOM 807 CG GLU A 54 -9.614 -5.286 -3.781 1.00 1.00 C ATOM 808 CD GLU A 54 -10.853 -6.150 -3.643 1.00 1.00 C ATOM 809 OE1 GLU A 54 -11.797 -5.727 -2.932 1.00 1.00 O ATOM 810 OE2 GLU A 54 -10.892 -7.249 -4.241 1.00 1.00 O ATOM 0 H GLU A 54 -7.648 -6.805 -0.803 1.00 1.00 H new ATOM 0 HA GLU A 54 -8.342 -7.573 -3.400 1.00 1.00 H new ATOM 0 HB2 GLU A 54 -9.134 -5.633 -1.731 1.00 1.00 H new ATOM 0 HB3 GLU A 54 -7.944 -4.682 -2.597 1.00 1.00 H new ATOM 0 HG2 GLU A 54 -9.903 -4.235 -3.766 1.00 1.00 H new ATOM 0 HG3 GLU A 54 -9.148 -5.475 -4.748 1.00 1.00 H new ATOM 817 N VAL A 55 -5.473 -6.017 -3.221 1.00 1.00 N ATOM 818 CA VAL A 55 -4.325 -5.613 -4.017 1.00 1.00 C ATOM 819 C VAL A 55 -3.176 -6.623 -3.972 1.00 1.00 C ATOM 820 O VAL A 55 -2.171 -6.484 -4.669 1.00 1.00 O ATOM 821 CB VAL A 55 -3.848 -4.223 -3.565 1.00 1.00 C ATOM 822 CG1 VAL A 55 -3.470 -4.273 -2.091 1.00 0.00 C ATOM 823 CG2 VAL A 55 -2.668 -3.729 -4.393 1.00 0.00 C ATOM 0 H VAL A 55 -5.351 -5.925 -2.213 1.00 1.00 H new ATOM 0 HA VAL A 55 -4.649 -5.573 -5.057 1.00 1.00 H new ATOM 0 HB VAL A 55 -4.667 -3.519 -3.715 1.00 1.00 H new ATOM 0 HG11 VAL A 55 -3.131 -3.288 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.338 -4.569 -1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.669 -4.998 -1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.363 -2.744 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.835 -4.425 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.961 -3.665 -5.441 1.00 0.00 H new ATOM 833 N ASP A 56 -3.356 -7.666 -3.164 1.00 1.00 N ATOM 834 CA ASP A 56 -2.344 -8.711 -2.990 1.00 1.00 C ATOM 835 C ASP A 56 -2.291 -9.767 -4.106 1.00 1.00 C ATOM 836 O ASP A 56 -2.751 -10.898 -3.934 1.00 1.00 O ATOM 837 CB ASP A 56 -2.580 -9.379 -1.646 1.00 1.00 C ATOM 838 CG ASP A 56 -1.554 -10.422 -1.335 1.00 1.00 C ATOM 839 OD1 ASP A 56 -0.434 -10.467 -1.888 1.00 1.00 O ATOM 840 OD2 ASP A 56 -1.866 -11.278 -0.485 1.00 1.00 O ATOM 0 H ASP A 56 -4.202 -7.812 -2.613 1.00 1.00 H new ATOM 0 HA ASP A 56 -1.374 -8.217 -3.038 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -2.573 -8.622 -0.862 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -3.570 -9.835 -1.640 1.00 1.00 H new ATOM 845 N ALA A 57 -1.650 -9.428 -5.215 1.00 1.00 N ATOM 846 CA ALA A 57 -1.641 -10.292 -6.395 1.00 1.00 C ATOM 847 C ALA A 57 -1.072 -11.672 -6.169 1.00 1.00 C ATOM 848 O ALA A 57 -1.481 -12.622 -6.833 1.00 1.00 O ATOM 849 CB ALA A 57 -0.889 -9.617 -7.539 1.00 1.00 C ATOM 0 H ALA A 57 -1.127 -8.559 -5.326 1.00 1.00 H new ATOM 0 HA ALA A 57 -2.692 -10.437 -6.647 1.00 1.00 H new ATOM 0 HB1 ALA A 57 -0.890 -10.271 -8.411 1.00 1.00 H new ATOM 0 HB2 ALA A 57 -1.378 -8.676 -7.791 1.00 1.00 H new ATOM 0 HB3 ALA A 57 0.139 -9.421 -7.233 1.00 1.00 H new ATOM 855 N ASP A 58 -0.117 -11.793 -5.261 1.00 1.00 N ATOM 856 CA ASP A 58 0.488 -13.117 -5.074 1.00 1.00 C ATOM 857 C ASP A 58 -0.016 -13.904 -3.866 1.00 1.00 C ATOM 858 O ASP A 58 0.492 -14.984 -3.573 1.00 1.00 O ATOM 859 CB ASP A 58 2.017 -13.081 -5.175 1.00 1.00 C ATOM 860 CG ASP A 58 2.683 -12.276 -4.072 1.00 1.00 C ATOM 861 OD1 ASP A 58 1.994 -11.773 -3.152 1.00 1.00 O ATOM 862 OD2 ASP A 58 3.921 -12.089 -4.061 1.00 1.00 O ATOM 0 H ASP A 58 0.245 -11.045 -4.670 1.00 1.00 H new ATOM 0 HA ASP A 58 0.126 -13.699 -5.922 1.00 1.00 H new ATOM 0 HB2 ASP A 58 2.398 -14.102 -5.148 1.00 1.00 H new ATOM 0 HB3 ASP A 58 2.299 -12.661 -6.140 1.00 1.00 H new ATOM 867 N GLY A 59 -1.024 -13.372 -3.189 1.00 1.00 N ATOM 868 CA GLY A 59 -1.637 -14.094 -2.079 1.00 1.00 C ATOM 869 C GLY A 59 -0.752 -14.362 -0.870 1.00 1.00 C ATOM 870 O GLY A 59 -1.057 -15.252 -0.069 1.00 1.00 O ATOM 0 H GLY A 59 -1.431 -12.457 -3.383 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -2.508 -13.530 -1.745 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -2.001 -15.051 -2.454 1.00 1.00 H new ATOM 874 N ASN A 60 0.320 -13.586 -0.701 1.00 1.00 N ATOM 875 CA ASN A 60 1.211 -13.790 0.446 1.00 1.00 C ATOM 876 C ASN A 60 0.836 -13.007 1.696 1.00 1.00 C ATOM 877 O ASN A 60 1.553 -13.043 2.699 1.00 1.00 O ATOM 878 CB ASN A 60 2.674 -13.556 0.083 1.00 1.00 C ATOM 879 CG ASN A 60 3.001 -12.102 -0.099 1.00 1.00 C ATOM 880 OD1 ASN A 60 2.107 -11.258 -0.219 1.00 1.00 O ATOM 881 ND2 ASN A 60 4.295 -11.792 -0.153 1.00 1.00 N ATOM 0 H ASN A 60 0.590 -12.827 -1.327 1.00 1.00 H new ATOM 0 HA ASN A 60 1.074 -14.840 0.705 1.00 1.00 H new ATOM 0 HB2 ASN A 60 3.309 -13.972 0.865 1.00 1.00 H new ATOM 0 HB3 ASN A 60 2.907 -14.094 -0.836 1.00 1.00 H new ATOM 0 HD21 ASN A 60 4.582 -10.824 -0.299 1.00 1.00 H new ATOM 0 HD22 ASN A 60 4.999 -12.522 -0.049 1.00 1.00 H new ATOM 888 N GLY A 61 -0.282 -12.298 1.618 1.00 1.00 N ATOM 889 CA GLY A 61 -0.823 -11.592 2.756 1.00 1.00 C ATOM 890 C GLY A 61 -0.279 -10.190 2.984 1.00 1.00 C ATOM 891 O GLY A 61 -0.713 -9.528 3.917 1.00 1.00 O ATOM 0 H GLY A 61 -0.832 -12.200 0.765 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -1.905 -11.527 2.639 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -0.634 -12.185 3.651 1.00 1.00 H new ATOM 895 N THR A 62 0.671 -9.748 2.167 1.00 1.00 N ATOM 896 CA THR A 62 1.212 -8.372 2.299 1.00 1.00 C ATOM 897 C THR A 62 1.334 -7.690 0.949 1.00 1.00 C ATOM 898 O THR A 62 1.207 -8.332 -0.080 1.00 1.00 O ATOM 899 CB THR A 62 2.573 -8.344 3.025 1.00 1.00 C ATOM 900 OG1 THR A 62 3.546 -9.115 2.295 1.00 1.00 O ATOM 901 CG2 THR A 62 2.465 -9.069 4.363 1.00 1.00 C ATOM 0 H THR A 62 1.085 -10.299 1.415 1.00 1.00 H new ATOM 0 HA THR A 62 0.495 -7.821 2.908 1.00 1.00 H new ATOM 0 HB THR A 62 2.855 -7.296 3.127 1.00 1.00 H new ATOM 0 HG1 THR A 62 4.405 -9.087 2.766 1.00 1.00 H new ATOM 0 HG21 THR A 62 3.430 -9.045 4.869 1.00 1.00 H new ATOM 0 HG22 THR A 62 1.717 -8.577 4.984 1.00 1.00 H new ATOM 0 HG23 THR A 62 2.171 -10.105 4.193 1.00 1.00 H new ATOM 909 N ILE A 63 1.566 -6.376 0.949 1.00 1.00 N ATOM 910 CA ILE A 63 1.658 -5.647 -0.305 1.00 1.00 C ATOM 911 C ILE A 63 3.097 -5.266 -0.606 1.00 1.00 C ATOM 912 O ILE A 63 3.743 -4.602 0.210 1.00 1.00 O ATOM 913 CB ILE A 63 0.846 -4.351 -0.215 1.00 1.00 C ATOM 914 CG1 ILE A 63 -0.607 -4.667 0.138 1.00 0.00 C ATOM 915 CG2 ILE A 63 0.903 -3.566 -1.524 1.00 0.00 C ATOM 916 CD1 ILE A 63 -1.423 -3.440 0.482 1.00 0.00 C ATOM 0 H ILE A 63 1.691 -5.809 1.788 1.00 1.00 H new ATOM 0 HA ILE A 63 1.273 -6.295 -1.092 1.00 1.00 H new ATOM 0 HB ILE A 63 1.285 -3.734 0.569 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -1.074 -5.181 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.626 -5.356 0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.317 -2.652 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.938 -3.310 -1.750 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.495 -4.174 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.444 -3.737 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.980 -2.938 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.434 -2.760 -0.370 1.00 0.00 H new ATOM 928 N ASP A 64 3.613 -5.686 -1.755 1.00 1.00 N ATOM 929 CA ASP A 64 4.967 -5.277 -2.134 1.00 1.00 C ATOM 930 C ASP A 64 4.953 -4.064 -3.060 1.00 1.00 C ATOM 931 O ASP A 64 3.892 -3.603 -3.461 1.00 1.00 O ATOM 932 CB ASP A 64 5.838 -6.442 -2.642 1.00 1.00 C ATOM 933 CG ASP A 64 5.387 -7.003 -3.972 1.00 1.00 C ATOM 934 OD1 ASP A 64 4.554 -6.380 -4.664 1.00 1.00 O ATOM 935 OD2 ASP A 64 5.858 -8.083 -4.419 1.00 1.00 O ATOM 0 H ASP A 64 3.136 -6.290 -2.424 1.00 1.00 H new ATOM 0 HA ASP A 64 5.464 -4.952 -1.220 1.00 1.00 H new ATOM 0 HB2 ASP A 64 6.869 -6.100 -2.733 1.00 1.00 H new ATOM 0 HB3 ASP A 64 5.831 -7.240 -1.900 1.00 1.00 H new ATOM 940 N PHE A 65 6.114 -3.522 -3.383 1.00 1.00 N ATOM 941 CA PHE A 65 6.096 -2.278 -4.151 1.00 1.00 C ATOM 942 C PHE A 65 5.432 -2.448 -5.523 1.00 1.00 C ATOM 943 O PHE A 65 4.650 -1.591 -5.942 1.00 1.00 O ATOM 944 CB PHE A 65 7.492 -1.648 -4.239 1.00 1.00 C ATOM 945 CG PHE A 65 7.508 -0.297 -4.892 1.00 1.00 C ATOM 946 CD1 PHE A 65 6.613 0.696 -4.509 1.00 1.00 C ATOM 947 CD2 PHE A 65 8.420 -0.025 -5.895 1.00 1.00 C ATOM 948 CE1 PHE A 65 6.638 1.954 -5.141 1.00 1.00 C ATOM 949 CE2 PHE A 65 8.457 1.209 -6.516 1.00 1.00 C ATOM 950 CZ PHE A 65 7.565 2.202 -6.136 1.00 1.00 C ATOM 0 H PHE A 65 7.034 -3.892 -3.145 1.00 1.00 H new ATOM 0 HA PHE A 65 5.470 -1.573 -3.605 1.00 1.00 H new ATOM 0 HB2 PHE A 65 7.904 -1.560 -3.234 1.00 1.00 H new ATOM 0 HB3 PHE A 65 8.148 -2.318 -4.795 1.00 1.00 H new ATOM 0 HD1 PHE A 65 5.897 0.502 -3.724 1.00 1.00 H new ATOM 0 HD2 PHE A 65 9.117 -0.792 -6.199 1.00 1.00 H new ATOM 0 HE1 PHE A 65 5.936 2.722 -4.850 1.00 1.00 H new ATOM 0 HE2 PHE A 65 9.179 1.400 -7.296 1.00 1.00 H new ATOM 0 HZ PHE A 65 7.595 3.168 -6.618 1.00 1.00 H new ATOM 960 N PRO A 66 5.759 -3.517 -6.244 1.00 1.00 N ATOM 961 CA PRO A 66 5.077 -3.792 -7.508 1.00 1.00 C ATOM 962 C PRO A 66 3.557 -3.845 -7.354 1.00 1.00 C ATOM 963 O PRO A 66 2.866 -3.291 -8.206 1.00 1.00 O ATOM 964 CB PRO A 66 5.671 -5.138 -7.944 1.00 1.00 C ATOM 965 CG PRO A 66 7.026 -5.160 -7.296 1.00 1.00 C ATOM 966 CD PRO A 66 6.841 -4.484 -5.974 1.00 1.00 C ATOM 0 HA PRO A 66 5.230 -3.006 -8.248 1.00 1.00 H new ATOM 0 HB2 PRO A 66 5.055 -5.973 -7.611 1.00 1.00 H new ATOM 0 HB3 PRO A 66 5.746 -5.209 -9.029 1.00 1.00 H new ATOM 0 HG2 PRO A 66 7.385 -6.181 -7.169 1.00 1.00 H new ATOM 0 HG3 PRO A 66 7.762 -4.637 -7.906 1.00 1.00 H new ATOM 0 HD2 PRO A 66 6.563 -5.193 -5.194 1.00 1.00 H new ATOM 0 HD3 PRO A 66 7.753 -3.987 -5.644 1.00 1.00 H new ATOM 974 N GLU A 67 3.039 -4.497 -6.319 1.00 1.00 N ATOM 975 CA GLU A 67 1.593 -4.534 -6.107 1.00 1.00 C ATOM 976 C GLU A 67 1.051 -3.132 -5.828 1.00 1.00 C ATOM 977 O GLU A 67 -0.021 -2.783 -6.287 1.00 1.00 O ATOM 978 CB GLU A 67 1.237 -5.495 -4.975 1.00 1.00 C ATOM 979 CG GLU A 67 1.438 -6.953 -5.401 1.00 1.00 C ATOM 980 CD GLU A 67 1.468 -7.926 -4.239 1.00 1.00 C ATOM 981 OE1 GLU A 67 1.627 -7.491 -3.092 1.00 1.00 O ATOM 982 OE2 GLU A 67 1.366 -9.142 -4.476 1.00 1.00 O ATOM 0 H GLU A 67 3.587 -5.001 -5.622 1.00 1.00 H new ATOM 0 HA GLU A 67 1.123 -4.901 -7.019 1.00 1.00 H new ATOM 0 HB2 GLU A 67 1.856 -5.280 -4.104 1.00 1.00 H new ATOM 0 HB3 GLU A 67 0.200 -5.341 -4.676 1.00 1.00 H new ATOM 0 HG2 GLU A 67 0.636 -7.238 -6.082 1.00 1.00 H new ATOM 0 HG3 GLU A 67 2.372 -7.035 -5.957 1.00 1.00 H new ATOM 989 N PHE A 68 1.821 -2.334 -5.093 1.00 1.00 N ATOM 990 CA PHE A 68 1.435 -0.968 -4.722 1.00 1.00 C ATOM 991 C PHE A 68 1.343 -0.119 -5.983 1.00 1.00 C ATOM 992 O PHE A 68 0.411 0.682 -6.145 1.00 1.00 O ATOM 993 CB PHE A 68 2.490 -0.424 -3.761 1.00 1.00 C ATOM 994 CG PHE A 68 2.167 0.916 -3.162 1.00 1.00 C ATOM 995 CD1 PHE A 68 1.390 1.008 -2.017 1.00 1.00 C ATOM 996 CD2 PHE A 68 2.712 2.064 -3.696 1.00 1.00 C ATOM 997 CE1 PHE A 68 1.108 2.257 -1.442 1.00 1.00 C ATOM 998 CE2 PHE A 68 2.442 3.304 -3.133 1.00 1.00 C ATOM 999 CZ PHE A 68 1.653 3.388 -1.991 1.00 1.00 C ATOM 0 H PHE A 68 2.734 -2.614 -4.735 1.00 1.00 H new ATOM 0 HA PHE A 68 0.462 -0.949 -4.230 1.00 1.00 H new ATOM 0 HB2 PHE A 68 2.631 -1.143 -2.954 1.00 1.00 H new ATOM 0 HB3 PHE A 68 3.440 -0.350 -4.291 1.00 1.00 H new ATOM 0 HD1 PHE A 68 0.998 0.110 -1.563 1.00 1.00 H new ATOM 0 HD2 PHE A 68 3.355 1.998 -4.561 1.00 1.00 H new ATOM 0 HE1 PHE A 68 0.468 2.326 -0.575 1.00 1.00 H new ATOM 0 HE2 PHE A 68 2.844 4.201 -3.581 1.00 1.00 H new ATOM 0 HZ PHE A 68 1.469 4.349 -1.535 1.00 1.00 H new ATOM 1009 N LEU A 69 2.303 -0.312 -6.890 1.00 1.00 N ATOM 1010 CA LEU A 69 2.308 0.420 -8.148 1.00 1.00 C ATOM 1011 C LEU A 69 1.079 0.100 -8.983 1.00 1.00 C ATOM 1012 O LEU A 69 0.472 0.993 -9.571 1.00 1.00 O ATOM 1013 CB LEU A 69 3.585 0.157 -8.939 1.00 1.00 C ATOM 1014 CG LEU A 69 4.836 0.864 -8.415 1.00 1.00 C ATOM 1015 CD1 LEU A 69 6.041 0.546 -9.301 1.00 1.00 C ATOM 1016 CD2 LEU A 69 4.596 2.355 -8.318 1.00 1.00 C ATOM 0 H LEU A 69 3.079 -0.964 -6.774 1.00 1.00 H new ATOM 0 HA LEU A 69 2.278 1.482 -7.904 1.00 1.00 H new ATOM 0 HB2 LEU A 69 3.772 -0.917 -8.949 1.00 1.00 H new ATOM 0 HB3 LEU A 69 3.422 0.462 -9.973 1.00 1.00 H new ATOM 0 HG LEU A 69 5.056 0.496 -7.413 1.00 1.00 H new ATOM 0 HD11 LEU A 69 6.922 1.057 -8.914 1.00 1.00 H new ATOM 0 HD12 LEU A 69 6.217 -0.530 -9.303 1.00 1.00 H new ATOM 0 HD13 LEU A 69 5.844 0.884 -10.318 1.00 1.00 H new ATOM 0 HD21 LEU A 69 5.495 2.845 -7.944 1.00 1.00 H new ATOM 0 HD22 LEU A 69 4.352 2.749 -9.305 1.00 1.00 H new ATOM 0 HD23 LEU A 69 3.768 2.547 -7.636 1.00 1.00 H new ATOM 1028 N THR A 70 0.712 -1.173 -9.052 1.00 1.00 N ATOM 1029 CA THR A 70 -0.493 -1.548 -9.779 1.00 1.00 C ATOM 1030 C THR A 70 -1.712 -0.861 -9.165 1.00 1.00 C ATOM 1031 O THR A 70 -2.616 -0.398 -9.866 1.00 1.00 O ATOM 1032 CB THR A 70 -0.663 -3.078 -9.725 1.00 1.00 C ATOM 1033 OG1 THR A 70 0.429 -3.673 -10.428 1.00 1.00 O ATOM 1034 CG2 THR A 70 -1.877 -3.517 -10.508 1.00 1.00 C ATOM 0 H THR A 70 1.218 -1.948 -8.624 1.00 1.00 H new ATOM 0 HA THR A 70 -0.403 -1.230 -10.818 1.00 1.00 H new ATOM 0 HB THR A 70 -0.734 -3.365 -8.676 1.00 1.00 H new ATOM 0 HG1 THR A 70 1.241 -3.613 -9.882 1.00 1.00 H new ATOM 0 HG21 THR A 70 -1.973 -4.601 -10.453 1.00 1.00 H new ATOM 0 HG22 THR A 70 -2.769 -3.052 -10.088 1.00 1.00 H new ATOM 0 HG23 THR A 70 -1.767 -3.215 -11.550 1.00 1.00 H new ATOM 1042 N MET A 71 -1.728 -0.791 -7.840 1.00 1.00 N ATOM 1043 CA MET A 71 -2.826 -0.163 -7.143 1.00 1.00 C ATOM 1044 C MET A 71 -2.864 1.328 -7.453 1.00 1.00 C ATOM 1045 O MET A 71 -3.947 1.896 -7.668 1.00 1.00 O ATOM 1046 CB MET A 71 -2.695 -0.410 -5.639 1.00 1.00 C ATOM 1047 CG MET A 71 -3.757 0.286 -4.768 1.00 1.00 C ATOM 1048 SD MET A 71 -3.297 1.973 -4.268 1.00 1.00 S ATOM 1049 CE MET A 71 -1.888 1.600 -3.223 1.00 1.00 C ATOM 0 H MET A 71 -0.994 -1.161 -7.236 1.00 1.00 H new ATOM 0 HA MET A 71 -3.765 -0.600 -7.483 1.00 1.00 H new ATOM 0 HB2 MET A 71 -2.745 -1.484 -5.457 1.00 1.00 H new ATOM 0 HB3 MET A 71 -1.708 -0.078 -5.316 1.00 1.00 H new ATOM 0 HG2 MET A 71 -4.698 0.323 -5.317 1.00 1.00 H new ATOM 0 HG3 MET A 71 -3.932 -0.314 -3.875 1.00 1.00 H new ATOM 0 HE1 MET A 71 -1.453 2.529 -2.854 1.00 1.00 H new ATOM 0 HE2 MET A 71 -2.212 0.991 -2.379 1.00 1.00 H new ATOM 0 HE3 MET A 71 -1.142 1.054 -3.800 1.00 1.00 H new ATOM 1059 N MET A 72 -1.698 1.970 -7.509 1.00 1.00 N ATOM 1060 CA MET A 72 -1.688 3.422 -7.765 1.00 1.00 C ATOM 1061 C MET A 72 -2.092 3.752 -9.202 1.00 1.00 C ATOM 1062 O MET A 72 -2.704 4.788 -9.462 1.00 1.00 O ATOM 1063 CB MET A 72 -0.329 4.055 -7.443 1.00 1.00 C ATOM 1064 CG MET A 72 0.033 4.033 -5.970 1.00 1.00 C ATOM 1065 SD MET A 72 -1.111 4.961 -4.921 1.00 1.00 S ATOM 1066 CE MET A 72 -0.374 6.583 -5.056 1.00 1.00 C ATOM 0 H MET A 72 -0.782 1.538 -7.388 1.00 1.00 H new ATOM 0 HA MET A 72 -2.431 3.852 -7.093 1.00 1.00 H new ATOM 0 HB2 MET A 72 0.445 3.532 -8.004 1.00 1.00 H new ATOM 0 HB3 MET A 72 -0.331 5.088 -7.790 1.00 1.00 H new ATOM 0 HG2 MET A 72 0.065 2.998 -5.629 1.00 1.00 H new ATOM 0 HG3 MET A 72 1.036 4.441 -5.846 1.00 1.00 H new ATOM 0 HE1 MET A 72 -0.838 7.255 -4.334 1.00 1.00 H new ATOM 0 HE2 MET A 72 0.695 6.515 -4.853 1.00 1.00 H new ATOM 0 HE3 MET A 72 -0.528 6.970 -6.063 1.00 1.00 H new ATOM 1076 N ALA A 73 -1.730 2.878 -10.134 1.00 1.00 N ATOM 1077 CA ALA A 73 -2.102 3.085 -11.527 1.00 1.00 C ATOM 1078 C ALA A 73 -3.617 3.002 -11.644 1.00 1.00 C ATOM 1079 O ALA A 73 -4.243 3.807 -12.340 1.00 1.00 O ATOM 1080 CB ALA A 73 -1.429 2.066 -12.428 1.00 1.00 C ATOM 0 H ALA A 73 -1.188 2.033 -9.955 1.00 1.00 H new ATOM 0 HA ALA A 73 -1.765 4.070 -11.851 1.00 1.00 H new ATOM 0 HB1 ALA A 73 -1.724 2.244 -13.462 1.00 1.00 H new ATOM 0 HB2 ALA A 73 -0.347 2.160 -12.338 1.00 1.00 H new ATOM 0 HB3 ALA A 73 -1.732 1.062 -12.132 1.00 1.00 H new ATOM 1086 N ARG A 74 -4.195 2.025 -10.950 1.00 1.00 N ATOM 1087 CA ARG A 74 -5.640 1.869 -10.897 1.00 1.00 C ATOM 1088 C ARG A 74 -6.299 3.123 -10.301 1.00 1.00 C ATOM 1089 O ARG A 74 -7.232 3.675 -10.870 1.00 1.00 O ATOM 1090 CB ARG A 74 -5.983 0.652 -10.046 1.00 1.00 C ATOM 1091 CG ARG A 74 -7.426 0.238 -10.082 1.00 1.00 C ATOM 1092 CD ARG A 74 -7.787 -0.639 -11.281 1.00 1.00 C ATOM 1093 NE ARG A 74 -8.554 0.113 -12.255 1.00 1.00 N ATOM 1094 CZ ARG A 74 -8.650 -0.194 -13.535 1.00 1.00 C ATOM 1095 NH1 ARG A 74 -8.005 -1.250 -14.021 1.00 1.00 N ATOM 1096 NH2 ARG A 74 -9.390 0.566 -14.332 1.00 1.00 N ATOM 0 H ARG A 74 -3.678 1.327 -10.415 1.00 1.00 H new ATOM 0 HA ARG A 74 -6.018 1.730 -11.910 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -5.372 -0.188 -10.377 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -5.706 0.861 -9.013 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -7.662 -0.302 -9.165 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -8.050 1.131 -10.096 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -6.878 -1.022 -11.744 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -8.362 -1.502 -10.946 1.00 1.00 H new ATOM 0 HE ARG A 74 -9.055 0.939 -11.927 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -7.433 -1.827 -13.404 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -8.082 -1.484 -15.011 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -9.878 1.378 -13.954 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -9.471 0.338 -15.323 1.00 1.00 H new ATOM 1110 N LYS A 75 -5.802 3.574 -9.150 1.00 1.00 N ATOM 1111 CA LYS A 75 -6.343 4.775 -8.523 1.00 1.00 C ATOM 1112 C LYS A 75 -6.324 5.990 -9.477 1.00 1.00 C ATOM 1113 O LYS A 75 -7.319 6.720 -9.595 1.00 1.00 O ATOM 1114 CB LYS A 75 -5.543 5.116 -7.262 1.00 1.00 C ATOM 1115 CG LYS A 75 -6.138 6.258 -6.448 1.00 1.00 C ATOM 1116 CD LYS A 75 -5.240 6.661 -5.244 1.00 1.00 C ATOM 1117 CE LYS A 75 -3.990 7.452 -5.666 1.00 1.00 C ATOM 1118 NZ LYS A 75 -4.310 8.834 -6.189 1.00 1.00 N ATOM 0 H LYS A 75 -5.037 3.132 -8.640 1.00 1.00 H new ATOM 0 HA LYS A 75 -7.381 4.562 -8.266 1.00 1.00 H new ATOM 0 HB2 LYS A 75 -5.478 4.228 -6.633 1.00 1.00 H new ATOM 0 HB3 LYS A 75 -4.525 5.378 -7.549 1.00 1.00 H new ATOM 0 HG2 LYS A 75 -6.284 7.123 -7.094 1.00 1.00 H new ATOM 0 HG3 LYS A 75 -7.122 5.965 -6.081 1.00 1.00 H new ATOM 0 HD2 LYS A 75 -5.825 7.261 -4.546 1.00 1.00 H new ATOM 0 HD3 LYS A 75 -4.932 5.762 -4.711 1.00 1.00 H new ATOM 0 HE2 LYS A 75 -3.318 7.540 -4.812 1.00 1.00 H new ATOM 0 HE3 LYS A 75 -3.457 6.894 -6.435 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 -3.426 9.359 -6.345 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 -4.828 8.754 -7.087 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 -4.896 9.341 -5.495 1.00 1.00 H new ATOM 1132 N MET A 76 -5.208 6.174 -10.170 1.00 0.00 N ATOM 1133 CA MET A 76 -5.084 7.261 -11.130 1.00 0.00 C ATOM 1134 C MET A 76 -5.929 6.981 -12.375 1.00 0.00 C ATOM 1135 O MET A 76 -6.549 7.884 -12.935 1.00 0.00 O ATOM 1136 CB MET A 76 -3.620 7.452 -11.529 1.00 0.00 C ATOM 1137 CG MET A 76 -3.369 8.714 -12.339 1.00 0.00 C ATOM 1138 SD MET A 76 -3.528 8.444 -14.114 1.00 0.00 S ATOM 1139 CE MET A 76 -4.400 9.929 -14.606 1.00 0.00 C ATOM 0 H MET A 76 -4.379 5.586 -10.085 1.00 0.00 H new ATOM 0 HA MET A 76 -5.447 8.175 -10.659 1.00 0.00 H new ATOM 0 HB2 MET A 76 -3.007 7.481 -10.628 1.00 0.00 H new ATOM 0 HB3 MET A 76 -3.294 6.588 -12.108 1.00 0.00 H new ATOM 0 HG2 MET A 76 -4.073 9.486 -12.029 1.00 0.00 H new ATOM 0 HG3 MET A 76 -2.369 9.088 -12.121 1.00 0.00 H new ATOM 0 HE1 MET A 76 -4.573 9.910 -15.682 1.00 0.00 H new ATOM 0 HE2 MET A 76 -5.356 9.979 -14.085 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.802 10.804 -14.350 1.00 0.00 H new ATOM 1149 N LYS A 77 -5.926 5.719 -12.811 1.00 0.00 N ATOM 1150 CA LYS A 77 -6.668 5.306 -14.003 1.00 0.00 C ATOM 1151 C LYS A 77 -8.180 5.436 -13.822 1.00 0.00 C ATOM 1152 O LYS A 77 -8.856 6.031 -14.661 1.00 0.00 O ATOM 1153 CB LYS A 77 -6.315 3.863 -14.373 1.00 0.00 C ATOM 1154 CG LYS A 77 -6.783 3.454 -15.762 1.00 0.00 C ATOM 1155 CD LYS A 77 -8.280 3.192 -15.801 1.00 0.00 C ATOM 1156 CE LYS A 77 -8.666 2.348 -17.005 1.00 0.00 C ATOM 1157 NZ LYS A 77 -8.390 3.053 -18.288 1.00 0.00 N ATOM 0 H LYS A 77 -5.416 4.963 -12.354 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.374 5.977 -14.810 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.234 3.736 -14.312 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.757 3.191 -13.638 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.533 4.239 -16.475 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.249 2.557 -16.076 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.586 2.684 -14.886 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.816 4.141 -15.833 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.115 1.408 -16.981 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.725 2.098 -16.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.714 2.466 -19.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.895 3.962 -18.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.368 3.224 -18.377 1.00 0.00 H new ATOM 1171 N ASP A 78 -8.717 4.879 -12.735 1.00 0.00 N ATOM 1172 CA ASP A 78 -10.156 4.954 -12.496 1.00 0.00 C ATOM 1173 C ASP A 78 -10.546 6.377 -12.123 1.00 0.00 C ATOM 1174 O ASP A 78 -10.132 6.897 -11.088 1.00 0.00 O ATOM 1175 CB ASP A 78 -10.597 3.958 -11.411 1.00 0.00 C ATOM 1176 CG ASP A 78 -10.077 4.298 -10.026 1.00 0.00 C ATOM 1177 OD1 ASP A 78 -9.066 5.018 -9.928 1.00 0.00 O ATOM 1178 OD2 ASP A 78 -10.687 3.841 -9.037 1.00 0.00 O ATOM 0 H ASP A 78 -8.188 4.380 -12.020 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.672 4.679 -13.416 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.686 3.923 -11.383 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.253 2.960 -11.684 1.00 0.00 H new ATOM 1183 N THR A 79 -11.317 7.020 -12.995 1.00 0.00 N ATOM 1184 CA THR A 79 -11.725 8.400 -12.772 1.00 0.00 C ATOM 1185 C THR A 79 -10.476 9.287 -12.678 1.00 0.00 C ATOM 1186 O THR A 79 -9.998 9.783 -13.696 1.00 0.00 O ATOM 1187 CB THR A 79 -12.600 8.506 -11.514 1.00 0.00 C ATOM 1188 OG1 THR A 79 -13.812 7.794 -11.689 1.00 0.00 O ATOM 1189 CG2 THR A 79 -12.958 9.930 -11.143 1.00 0.00 C ATOM 0 H THR A 79 -11.670 6.608 -13.859 1.00 0.00 H new ATOM 0 HA THR A 79 -12.329 8.747 -13.610 1.00 0.00 H new ATOM 0 HB THR A 79 -11.998 8.081 -10.710 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.356 7.871 -10.878 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.577 9.928 -10.246 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.046 10.497 -10.954 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.509 10.392 -11.962 1.00 0.00 H new ATOM 1197 N ASP A 80 -9.929 9.447 -11.465 1.00 0.00 N ATOM 1198 CA ASP A 80 -8.711 10.238 -11.247 1.00 0.00 C ATOM 1199 C ASP A 80 -8.452 10.453 -9.754 1.00 0.00 C ATOM 1200 O ASP A 80 -8.002 11.528 -9.352 1.00 0.00 O ATOM 1201 CB ASP A 80 -8.791 11.607 -11.947 1.00 0.00 C ATOM 1202 CG ASP A 80 -10.006 12.407 -11.522 1.00 0.00 C ATOM 1203 OD1 ASP A 80 -10.965 11.801 -11.002 1.00 0.00 O ATOM 1204 OD2 ASP A 80 -9.996 13.643 -11.705 1.00 0.00 O ATOM 0 H ASP A 80 -10.314 9.036 -10.615 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.887 9.670 -11.678 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.889 12.178 -11.726 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.817 11.458 -13.026 1.00 0.00 H new ATOM 1209 N SER A 81 -8.741 9.443 -8.916 1.00 0.00 N ATOM 1210 CA SER A 81 -8.535 9.582 -7.467 1.00 0.00 C ATOM 1211 C SER A 81 -9.230 10.867 -6.996 1.00 0.00 C ATOM 1212 O SER A 81 -10.245 11.216 -7.595 1.00 0.00 O ATOM 1213 CB SER A 81 -7.029 9.611 -7.169 1.00 0.00 C ATOM 1214 OG SER A 81 -6.278 9.042 -8.231 1.00 0.00 O ATOM 0 H SER A 81 -9.111 8.539 -9.210 1.00 0.00 H new ATOM 0 HA SER A 81 -8.965 8.737 -6.929 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.709 10.640 -7.006 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.829 9.065 -6.247 1.00 0.00 H new ATOM 0 HG SER A 81 -6.811 8.348 -8.673 1.00 0.00 H new ATOM 1220 N GLU A 82 -8.659 11.586 -5.979 1.00 1.00 N ATOM 1221 CA GLU A 82 -9.161 12.861 -5.472 1.00 1.00 C ATOM 1222 C GLU A 82 -9.684 12.714 -4.035 1.00 1.00 C ATOM 1223 O GLU A 82 -9.370 13.529 -3.154 1.00 1.00 O ATOM 1224 CB GLU A 82 -10.244 13.421 -6.403 1.00 1.00 C ATOM 1225 CG GLU A 82 -10.648 14.839 -6.056 1.00 1.00 C ATOM 1226 CD GLU A 82 -11.801 14.904 -5.077 1.00 1.00 C ATOM 1227 OE1 GLU A 82 -12.447 13.868 -4.830 1.00 1.00 O ATOM 1228 OE2 GLU A 82 -12.082 16.008 -4.577 1.00 1.00 O ATOM 0 H GLU A 82 -7.820 11.270 -5.493 1.00 1.00 H new ATOM 0 HA GLU A 82 -8.334 13.571 -5.450 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -9.882 13.394 -7.431 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -11.123 12.777 -6.358 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -9.790 15.362 -5.633 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -10.924 15.366 -6.969 1.00 1.00 H new ATOM 1235 N GLU A 83 -10.472 11.672 -3.794 1.00 1.00 N ATOM 1236 CA GLU A 83 -10.977 11.420 -2.441 1.00 1.00 C ATOM 1237 C GLU A 83 -9.827 11.108 -1.457 1.00 1.00 C ATOM 1238 O GLU A 83 -9.865 11.508 -0.296 1.00 1.00 O ATOM 1239 CB GLU A 83 -11.931 10.232 -2.485 1.00 0.00 C ATOM 1240 CG GLU A 83 -13.075 10.394 -3.474 1.00 0.00 C ATOM 1241 CD GLU A 83 -13.695 9.069 -3.874 1.00 0.00 C ATOM 1242 OE1 GLU A 83 -13.030 8.026 -3.702 1.00 0.00 O ATOM 1243 OE2 GLU A 83 -14.846 9.075 -4.360 1.00 0.00 O ATOM 0 H GLU A 83 -10.773 10.998 -4.498 1.00 1.00 H new ATOM 0 HA GLU A 83 -11.490 12.316 -2.092 1.00 1.00 H new ATOM 0 HB2 GLU A 83 -11.367 9.335 -2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.345 10.074 -1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.842 11.031 -3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.710 10.903 -4.366 1.00 0.00 H new ATOM 1250 N GLU A 84 -8.819 10.383 -1.924 1.00 1.00 N ATOM 1251 CA GLU A 84 -7.622 10.062 -1.209 1.00 0.00 C ATOM 1252 C GLU A 84 -6.988 11.348 -0.567 1.00 1.00 C ATOM 1253 O GLU A 84 -6.626 11.443 0.623 1.00 1.00 O ATOM 1254 CB GLU A 84 -6.666 9.577 -2.294 1.00 0.00 C ATOM 1255 CG GLU A 84 -5.802 8.491 -1.850 1.00 0.00 C ATOM 1256 CD GLU A 84 -4.667 8.216 -2.808 1.00 0.00 C ATOM 1257 OE1 GLU A 84 -4.288 9.142 -3.557 1.00 0.00 O ATOM 1258 OE2 GLU A 84 -4.148 7.081 -2.807 1.00 0.00 O ATOM 0 H GLU A 84 -8.830 9.988 -2.865 1.00 1.00 H new ATOM 0 HA GLU A 84 -7.814 9.343 -0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.243 9.245 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.049 10.412 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.393 8.736 -0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.397 7.586 -1.730 1.00 0.00 H new ATOM 1265 N ILE A 85 -6.851 12.349 -1.444 1.00 1.00 N ATOM 1266 CA ILE A 85 -6.223 13.596 -1.020 1.00 1.00 C ATOM 1267 C ILE A 85 -7.144 14.394 -0.092 1.00 1.00 C ATOM 1268 O ILE A 85 -6.676 15.004 0.860 1.00 1.00 O ATOM 1269 CB ILE A 85 -5.690 14.448 -2.218 1.00 1.00 C ATOM 1270 CG1 ILE A 85 -5.215 13.580 -3.398 1.00 0.00 C ATOM 1271 CG2 ILE A 85 -4.610 15.424 -1.775 1.00 0.00 C ATOM 1272 CD1 ILE A 85 -5.969 13.847 -4.682 1.00 0.00 C ATOM 0 H ILE A 85 -7.156 12.321 -2.417 1.00 1.00 H new ATOM 0 HA ILE A 85 -5.339 13.326 -0.443 1.00 1.00 H new ATOM 0 HB ILE A 85 -6.536 15.031 -2.581 1.00 1.00 H new ATOM 0 HG12 ILE A 85 -4.153 13.758 -3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.324 12.528 -3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.264 15.998 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.018 16.102 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.773 14.871 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.583 13.202 -5.471 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.029 13.642 -4.531 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.839 14.890 -4.970 1.00 0.00 H new ATOM 1284 N ARG A 86 -8.447 14.408 -0.361 1.00 1.00 N ATOM 1285 CA ARG A 86 -9.372 15.092 0.541 1.00 1.00 C ATOM 1286 C ARG A 86 -9.377 14.472 1.943 1.00 1.00 C ATOM 1287 O ARG A 86 -9.332 15.182 2.954 1.00 1.00 O ATOM 1288 CB ARG A 86 -10.788 15.105 -0.027 1.00 1.00 C ATOM 1289 CG ARG A 86 -10.968 16.128 -1.098 1.00 1.00 C ATOM 1290 CD ARG A 86 -12.407 16.338 -1.451 1.00 1.00 C ATOM 1291 NE ARG A 86 -12.890 15.186 -2.186 1.00 1.00 N ATOM 1292 CZ ARG A 86 -13.641 14.258 -1.672 1.00 1.00 C ATOM 1293 NH1 ARG A 86 -14.016 14.356 -0.404 1.00 1.00 N ATOM 1294 NH2 ARG A 86 -14.020 13.233 -2.419 1.00 1.00 N ATOM 0 H ARG A 86 -8.879 13.967 -1.173 1.00 1.00 H new ATOM 0 HA ARG A 86 -9.017 16.119 0.630 1.00 1.00 H new ATOM 0 HB2 ARG A 86 -11.023 14.119 -0.428 1.00 1.00 H new ATOM 0 HB3 ARG A 86 -11.497 15.299 0.778 1.00 1.00 H new ATOM 0 HG2 ARG A 86 -10.536 17.073 -0.770 1.00 1.00 H new ATOM 0 HG3 ARG A 86 -10.420 15.819 -1.988 1.00 1.00 H new ATOM 0 HD2 ARG A 86 -12.998 16.482 -0.547 1.00 1.00 H new ATOM 0 HD3 ARG A 86 -12.519 17.241 -2.052 1.00 1.00 H new ATOM 0 HE ARG A 86 -12.624 15.098 -3.167 1.00 1.00 H new ATOM 0 HH11 ARG A 86 -13.715 15.153 0.157 1.00 1.00 H new ATOM 0 HH12 ARG A 86 -14.605 13.634 0.011 1.00 1.00 H new ATOM 0 HH21 ARG A 86 -13.723 13.174 -3.393 1.00 1.00 H new ATOM 0 HH22 ARG A 86 -14.609 12.502 -2.021 1.00 1.00 H new ATOM 1308 N GLU A 87 -9.434 13.149 2.021 1.00 1.00 N ATOM 1309 CA GLU A 87 -9.430 12.525 3.346 1.00 1.00 C ATOM 1310 C GLU A 87 -8.100 12.777 4.051 1.00 1.00 C ATOM 1311 O GLU A 87 -8.063 12.944 5.271 1.00 1.00 O ATOM 1312 CB GLU A 87 -9.803 11.033 3.248 1.00 1.00 C ATOM 1313 CG GLU A 87 -11.235 10.902 2.715 1.00 1.00 C ATOM 1314 CD GLU A 87 -11.840 9.524 2.852 1.00 1.00 C ATOM 1315 OE1 GLU A 87 -11.096 8.549 3.100 1.00 1.00 O ATOM 1316 OE2 GLU A 87 -13.089 9.423 2.713 1.00 1.00 O ATOM 0 H GLU A 87 -9.481 12.510 1.228 1.00 1.00 H new ATOM 0 HA GLU A 87 -10.198 12.987 3.967 1.00 1.00 H new ATOM 0 HB2 GLU A 87 -9.108 10.515 2.587 1.00 1.00 H new ATOM 0 HB3 GLU A 87 -9.723 10.561 4.227 1.00 1.00 H new ATOM 0 HG2 GLU A 87 -11.870 11.616 3.240 1.00 1.00 H new ATOM 0 HG3 GLU A 87 -11.243 11.183 1.662 1.00 1.00 H new ATOM 1323 N ALA A 88 -6.998 12.807 3.305 1.00 1.00 N ATOM 1324 CA ALA A 88 -5.690 13.096 3.937 1.00 1.00 C ATOM 1325 C ALA A 88 -5.657 14.511 4.528 1.00 1.00 C ATOM 1326 O ALA A 88 -5.207 14.733 5.659 1.00 1.00 O ATOM 1327 CB ALA A 88 -4.557 12.942 2.926 1.00 1.00 C ATOM 0 H ALA A 88 -6.969 12.643 2.299 1.00 1.00 H new ATOM 0 HA ALA A 88 -5.553 12.377 4.745 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -3.605 13.159 3.411 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -4.546 11.921 2.545 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -4.710 13.636 2.100 1.00 1.00 H new ATOM 1333 N PHE A 89 -6.149 15.478 3.766 1.00 1.00 N ATOM 1334 CA PHE A 89 -6.195 16.840 4.272 1.00 1.00 C ATOM 1335 C PHE A 89 -6.961 16.880 5.594 1.00 1.00 C ATOM 1336 O PHE A 89 -6.545 17.542 6.546 1.00 1.00 O ATOM 1337 CB PHE A 89 -6.880 17.782 3.262 1.00 1.00 C ATOM 1338 CG PHE A 89 -6.844 19.235 3.683 1.00 1.00 C ATOM 1339 CD1 PHE A 89 -5.714 19.987 3.468 1.00 1.00 C ATOM 1340 CD2 PHE A 89 -7.935 19.824 4.303 1.00 1.00 C ATOM 1341 CE1 PHE A 89 -5.669 21.317 3.857 1.00 1.00 C ATOM 1342 CE2 PHE A 89 -7.898 21.171 4.703 1.00 1.00 C ATOM 1343 CZ PHE A 89 -6.756 21.906 4.479 1.00 1.00 C ATOM 0 H PHE A 89 -6.512 15.350 2.821 1.00 1.00 H new ATOM 0 HA PHE A 89 -5.170 17.176 4.427 1.00 1.00 H new ATOM 0 HB2 PHE A 89 -6.394 17.679 2.292 1.00 1.00 H new ATOM 0 HB3 PHE A 89 -7.917 17.473 3.133 1.00 1.00 H new ATOM 0 HD1 PHE A 89 -4.854 19.538 2.992 1.00 1.00 H new ATOM 0 HD2 PHE A 89 -8.826 19.240 4.481 1.00 1.00 H new ATOM 0 HE1 PHE A 89 -4.778 21.899 3.673 1.00 1.00 H new ATOM 0 HE2 PHE A 89 -8.755 21.624 5.180 1.00 1.00 H new ATOM 0 HZ PHE A 89 -6.708 22.940 4.788 1.00 1.00 H new ATOM 1353 N ARG A 90 -8.101 16.196 5.640 1.00 1.00 N ATOM 1354 CA ARG A 90 -8.908 16.191 6.863 1.00 1.00 C ATOM 1355 C ARG A 90 -8.195 15.596 8.069 1.00 1.00 C ATOM 1356 O ARG A 90 -8.474 15.981 9.201 1.00 1.00 O ATOM 1357 CB ARG A 90 -10.237 15.499 6.649 1.00 1.00 C ATOM 1358 CG ARG A 90 -11.173 16.312 5.840 1.00 1.00 C ATOM 1359 CD ARG A 90 -12.490 15.617 5.591 1.00 1.00 C ATOM 1360 NE ARG A 90 -13.164 16.181 4.441 1.00 1.00 N ATOM 1361 CZ ARG A 90 -13.709 15.451 3.470 1.00 1.00 C ATOM 1362 NH1 ARG A 90 -13.637 14.121 3.509 1.00 1.00 N ATOM 1363 NH2 ARG A 90 -14.313 16.051 2.458 1.00 1.00 N ATOM 0 H ARG A 90 -8.482 15.650 4.867 1.00 1.00 H new ATOM 0 HA ARG A 90 -9.084 17.242 7.092 1.00 1.00 H new ATOM 0 HB2 ARG A 90 -10.070 14.542 6.154 1.00 1.00 H new ATOM 0 HB3 ARG A 90 -10.691 15.282 7.616 1.00 1.00 H new ATOM 0 HG2 ARG A 90 -11.358 17.258 6.349 1.00 1.00 H new ATOM 0 HG3 ARG A 90 -10.707 16.550 4.884 1.00 1.00 H new ATOM 0 HD2 ARG A 90 -12.319 14.552 5.431 1.00 1.00 H new ATOM 0 HD3 ARG A 90 -13.126 15.709 6.471 1.00 1.00 H new ATOM 0 HE ARG A 90 -13.225 17.197 4.370 1.00 1.00 H new ATOM 0 HH11 ARG A 90 -13.163 13.658 4.285 1.00 1.00 H new ATOM 0 HH12 ARG A 90 -14.056 13.565 2.763 1.00 1.00 H new ATOM 0 HH21 ARG A 90 -14.360 17.069 2.423 1.00 1.00 H new ATOM 0 HH22 ARG A 90 -14.732 15.495 1.712 1.00 1.00 H new ATOM 1377 N VAL A 91 -7.306 14.641 7.840 1.00 1.00 N ATOM 1378 CA VAL A 91 -6.501 14.092 8.932 1.00 1.00 C ATOM 1379 C VAL A 91 -5.634 15.171 9.567 1.00 1.00 C ATOM 1380 O VAL A 91 -5.563 15.295 10.802 1.00 1.00 O ATOM 1381 CB VAL A 91 -5.553 12.984 8.400 1.00 1.00 C ATOM 1382 CG1 VAL A 91 -6.175 12.226 7.236 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -4.114 13.402 8.052 1.00 0.00 C ATOM 0 H VAL A 91 -7.122 14.232 6.924 1.00 1.00 H new ATOM 0 HA VAL A 91 -7.193 13.686 9.670 1.00 1.00 H new ATOM 0 HB VAL A 91 -5.441 12.332 9.267 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -5.483 11.459 6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.103 11.757 7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.385 12.919 6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.560 12.535 7.693 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.135 14.166 7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.626 13.802 8.941 1.00 0.00 H new ATOM 1393 N PHE A 92 -4.957 15.939 8.728 1.00 1.00 N ATOM 1394 CA PHE A 92 -4.036 16.985 9.197 1.00 1.00 C ATOM 1395 C PHE A 92 -4.793 18.145 9.840 1.00 1.00 C ATOM 1396 O PHE A 92 -4.352 18.711 10.842 1.00 1.00 O ATOM 1397 CB PHE A 92 -3.203 17.541 8.026 1.00 1.00 C ATOM 1398 CG PHE A 92 -2.083 16.657 7.550 1.00 0.00 C ATOM 1399 CD1 PHE A 92 -2.299 15.690 6.585 1.00 0.00 C ATOM 1400 CD2 PHE A 92 -0.811 16.804 8.066 1.00 0.00 C ATOM 1401 CE1 PHE A 92 -1.267 14.883 6.145 1.00 0.00 C ATOM 1402 CE2 PHE A 92 0.228 16.002 7.633 1.00 0.00 C ATOM 1403 CZ PHE A 92 -0.001 15.039 6.671 1.00 0.00 C ATOM 0 H PHE A 92 -5.022 15.864 7.713 1.00 1.00 H new ATOM 0 HA PHE A 92 -3.382 16.525 9.937 1.00 1.00 H new ATOM 0 HB2 PHE A 92 -3.872 17.734 7.187 1.00 1.00 H new ATOM 0 HB3 PHE A 92 -2.782 18.501 8.326 1.00 1.00 H new ATOM 0 HD1 PHE A 92 -3.288 15.564 6.170 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.625 17.556 8.818 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.451 14.132 5.391 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.218 16.129 8.047 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.808 14.410 6.331 1.00 0.00 H new ATOM 1413 N ASP A 93 -5.916 18.523 9.240 1.00 1.00 N ATOM 1414 CA ASP A 93 -6.703 19.664 9.712 1.00 1.00 C ATOM 1415 C ASP A 93 -7.566 19.250 10.905 1.00 1.00 C ATOM 1416 O ASP A 93 -8.785 19.035 10.780 1.00 1.00 O ATOM 1417 CB ASP A 93 -7.572 20.217 8.579 1.00 1.00 C ATOM 1418 CG ASP A 93 -8.405 21.403 9.027 1.00 1.00 C ATOM 1419 OD1 ASP A 93 -8.150 22.047 10.078 1.00 1.00 O ATOM 1420 OD2 ASP A 93 -9.397 21.731 8.336 1.00 1.00 O ATOM 0 H ASP A 93 -6.306 18.056 8.422 1.00 1.00 H new ATOM 0 HA ASP A 93 -6.023 20.452 10.035 1.00 1.00 H new ATOM 0 HB2 ASP A 93 -6.935 20.516 7.746 1.00 1.00 H new ATOM 0 HB3 ASP A 93 -8.230 19.430 8.210 1.00 1.00 H new ATOM 1425 N LYS A 94 -6.920 19.151 12.061 1.00 1.00 N ATOM 1426 CA LYS A 94 -7.545 18.576 13.255 1.00 1.00 C ATOM 1427 C LYS A 94 -8.779 19.320 13.731 1.00 1.00 C ATOM 1428 O LYS A 94 -9.753 18.695 14.173 1.00 1.00 O ATOM 1429 CB LYS A 94 -6.535 18.486 14.406 1.00 1.00 C ATOM 1430 CG LYS A 94 -5.327 17.614 14.138 1.00 1.00 C ATOM 1431 CD LYS A 94 -5.742 16.171 13.818 1.00 1.00 C ATOM 1432 CE LYS A 94 -4.552 15.210 13.738 1.00 1.00 C ATOM 1433 NZ LYS A 94 -4.961 13.843 13.221 1.00 1.00 N ATOM 0 H LYS A 94 -5.959 19.462 12.201 1.00 1.00 H new ATOM 0 HA LYS A 94 -7.873 17.581 12.954 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -6.191 19.492 14.645 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -7.048 18.106 15.289 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -4.757 18.024 13.304 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -4.670 17.622 15.008 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -6.435 15.820 14.583 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -6.279 16.155 12.870 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -3.788 15.632 13.084 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -4.103 15.105 14.726 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -4.146 13.198 13.262 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -5.731 13.465 13.809 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -5.287 13.927 12.237 1.00 1.00 H new ATOM 1447 N ASP A 95 -8.749 20.646 13.650 1.00 1.00 N ATOM 1448 CA ASP A 95 -9.897 21.411 14.127 1.00 1.00 C ATOM 1449 C ASP A 95 -10.957 21.639 13.056 1.00 1.00 C ATOM 1450 O ASP A 95 -12.008 22.209 13.336 1.00 1.00 O ATOM 1451 CB ASP A 95 -9.480 22.710 14.828 1.00 1.00 C ATOM 1452 CG ASP A 95 -8.838 23.696 13.892 1.00 1.00 C ATOM 1453 OD1 ASP A 95 -8.793 23.530 12.653 1.00 1.00 O ATOM 1454 OD2 ASP A 95 -8.319 24.720 14.395 1.00 1.00 O ATOM 0 H ASP A 95 -7.977 21.196 13.275 1.00 1.00 H new ATOM 0 HA ASP A 95 -10.376 20.788 14.882 1.00 1.00 H new ATOM 0 HB2 ASP A 95 -10.357 23.168 15.286 1.00 1.00 H new ATOM 0 HB3 ASP A 95 -8.785 22.476 15.634 1.00 1.00 H new ATOM 1459 N GLY A 96 -10.673 21.176 11.837 1.00 1.00 N ATOM 1460 CA GLY A 96 -11.598 21.263 10.716 1.00 1.00 C ATOM 1461 C GLY A 96 -11.904 22.642 10.162 1.00 1.00 C ATOM 1462 O GLY A 96 -12.942 22.844 9.522 1.00 1.00 O ATOM 0 H GLY A 96 -9.787 20.728 11.603 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -11.199 20.656 9.904 1.00 1.00 H new ATOM 0 HA3 GLY A 96 -12.540 20.807 11.022 1.00 1.00 H new ATOM 1466 N ASN A 97 -11.013 23.596 10.391 1.00 1.00 N ATOM 1467 CA ASN A 97 -11.260 24.960 9.949 1.00 1.00 C ATOM 1468 C ASN A 97 -10.850 25.271 8.507 1.00 1.00 C ATOM 1469 O ASN A 97 -11.013 26.397 8.044 1.00 1.00 O ATOM 1470 CB ASN A 97 -10.646 25.963 10.944 1.00 1.00 C ATOM 1471 CG ASN A 97 -9.135 26.157 10.757 1.00 1.00 C ATOM 1472 OD1 ASN A 97 -8.450 25.311 10.182 1.00 1.00 O ATOM 1473 ND2 ASN A 97 -8.614 27.284 11.261 1.00 1.00 N ATOM 0 H ASN A 97 -10.125 23.454 10.873 1.00 1.00 H new ATOM 0 HA ASN A 97 -12.345 25.068 9.939 1.00 1.00 H new ATOM 0 HB2 ASN A 97 -11.145 26.926 10.833 1.00 1.00 H new ATOM 0 HB3 ASN A 97 -10.838 25.619 11.960 1.00 1.00 H new ATOM 0 HD21 ASN A 97 -7.614 27.466 11.175 1.00 1.00 H new ATOM 0 HD22 ASN A 97 -9.217 27.959 11.730 1.00 1.00 H new ATOM 1480 N GLY A 98 -10.334 24.285 7.784 1.00 1.00 N ATOM 1481 CA GLY A 98 -9.935 24.524 6.410 1.00 1.00 C ATOM 1482 C GLY A 98 -8.468 24.845 6.199 1.00 1.00 C ATOM 1483 O GLY A 98 -8.005 25.012 5.068 1.00 1.00 O ATOM 0 H GLY A 98 -10.186 23.333 8.120 1.00 1.00 H new ATOM 0 HA2 GLY A 98 -10.184 23.642 5.820 1.00 1.00 H new ATOM 0 HA3 GLY A 98 -10.529 25.349 6.016 1.00 1.00 H new ATOM 1487 N PHE A 99 -7.714 24.915 7.289 1.00 1.00 N ATOM 1488 CA PHE A 99 -6.309 25.248 7.194 1.00 1.00 C ATOM 1489 C PHE A 99 -5.511 24.302 8.071 1.00 1.00 C ATOM 1490 O PHE A 99 -5.946 23.968 9.181 1.00 1.00 O ATOM 1491 CB PHE A 99 -6.057 26.684 7.683 1.00 1.00 C ATOM 1492 CG PHE A 99 -6.684 27.734 6.838 1.00 1.00 C ATOM 1493 CD1 PHE A 99 -6.103 28.122 5.639 1.00 1.00 C ATOM 1494 CD2 PHE A 99 -7.870 28.332 7.233 1.00 1.00 C ATOM 1495 CE1 PHE A 99 -6.694 29.107 4.847 1.00 1.00 C ATOM 1496 CE2 PHE A 99 -8.460 29.326 6.458 1.00 1.00 C ATOM 1497 CZ PHE A 99 -7.878 29.706 5.264 1.00 1.00 C ATOM 0 H PHE A 99 -8.052 24.747 8.237 1.00 1.00 H new ATOM 0 HA PHE A 99 -6.004 25.161 6.151 1.00 1.00 H new ATOM 0 HB2 PHE A 99 -6.433 26.780 8.701 1.00 1.00 H new ATOM 0 HB3 PHE A 99 -4.982 26.859 7.722 1.00 1.00 H new ATOM 0 HD1 PHE A 99 -5.184 27.657 5.315 1.00 1.00 H new ATOM 0 HD2 PHE A 99 -8.342 28.023 8.154 1.00 1.00 H new ATOM 0 HE1 PHE A 99 -6.235 29.403 3.915 1.00 1.00 H new ATOM 0 HE2 PHE A 99 -9.372 29.800 6.790 1.00 1.00 H new ATOM 0 HZ PHE A 99 -8.342 30.468 4.655 1.00 1.00 H new ATOM 1507 N ILE A 100 -4.357 23.864 7.586 1.00 1.00 N ATOM 1508 CA ILE A 100 -3.464 23.101 8.456 1.00 1.00 C ATOM 1509 C ILE A 100 -2.469 24.096 9.036 1.00 1.00 C ATOM 1510 O ILE A 100 -1.711 24.711 8.304 1.00 1.00 O ATOM 1511 CB ILE A 100 -2.691 22.029 7.681 1.00 1.00 C ATOM 1512 CG1 ILE A 100 -3.630 21.181 6.826 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -1.919 21.144 8.647 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -2.901 20.351 5.792 1.00 0.00 C ATOM 0 H ILE A 100 -4.023 24.014 6.634 1.00 1.00 H new ATOM 0 HA ILE A 100 -4.048 22.593 9.224 1.00 1.00 H new ATOM 0 HB ILE A 100 -1.989 22.531 7.015 1.00 1.00 H new ATOM 0 HG12 ILE A 100 -4.205 20.520 7.474 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.343 21.834 6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.372 20.385 8.087 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.216 21.753 9.215 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.615 20.659 9.332 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.622 19.771 5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.347 21.009 5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.207 19.675 6.292 1.00 0.00 H new ATOM 1526 N SER A 101 -2.482 24.252 10.352 1.00 1.00 N ATOM 1527 CA SER A 101 -1.527 25.114 11.042 1.00 1.00 C ATOM 1528 C SER A 101 -0.208 24.369 11.335 1.00 1.00 C ATOM 1529 O SER A 101 -0.142 23.142 11.288 1.00 1.00 O ATOM 1530 CB SER A 101 -2.132 25.544 12.374 1.00 1.00 C ATOM 1531 OG SER A 101 -2.248 24.398 13.218 1.00 1.00 O ATOM 0 H SER A 101 -3.149 23.789 10.970 1.00 1.00 H new ATOM 0 HA SER A 101 -1.315 25.971 10.402 1.00 1.00 H new ATOM 0 HB2 SER A 101 -1.505 26.299 12.847 1.00 1.00 H new ATOM 0 HB3 SER A 101 -3.111 25.997 12.215 1.00 1.00 H new ATOM 0 HG SER A 101 -2.635 24.663 14.079 1.00 1.00 H new ATOM 1537 N ALA A 102 0.837 25.116 11.682 1.00 1.00 N ATOM 1538 CA ALA A 102 2.113 24.483 12.032 1.00 1.00 C ATOM 1539 C ALA A 102 1.926 23.559 13.232 1.00 1.00 C ATOM 1540 O ALA A 102 2.523 22.490 13.293 1.00 1.00 O ATOM 1541 CB ALA A 102 3.160 25.538 12.356 1.00 1.00 C ATOM 0 H ALA A 102 0.832 26.135 11.729 1.00 1.00 H new ATOM 0 HA ALA A 102 2.455 23.899 11.177 1.00 1.00 H new ATOM 0 HB1 ALA A 102 4.100 25.050 12.613 1.00 1.00 H new ATOM 0 HB2 ALA A 102 3.310 26.180 11.488 1.00 1.00 H new ATOM 0 HB3 ALA A 102 2.821 26.140 13.199 1.00 1.00 H new ATOM 1547 N ALA A 103 1.090 23.982 14.172 1.00 1.00 N ATOM 1548 CA ALA A 103 0.808 23.166 15.358 1.00 1.00 C ATOM 1549 C ALA A 103 0.138 21.868 14.965 1.00 1.00 C ATOM 1550 O ALA A 103 0.458 20.820 15.516 1.00 1.00 O ATOM 1551 CB ALA A 103 -0.088 23.906 16.322 1.00 1.00 C ATOM 0 H ALA A 103 0.598 24.875 14.142 1.00 1.00 H new ATOM 0 HA ALA A 103 1.761 22.954 15.843 1.00 1.00 H new ATOM 0 HB1 ALA A 103 -0.282 23.279 17.193 1.00 1.00 H new ATOM 0 HB2 ALA A 103 0.401 24.827 16.639 1.00 1.00 H new ATOM 0 HB3 ALA A 103 -1.031 24.147 15.831 1.00 1.00 H new ATOM 1557 N GLU A 104 -0.822 21.944 14.052 1.00 1.00 N ATOM 1558 CA GLU A 104 -1.519 20.731 13.619 1.00 1.00 C ATOM 1559 C GLU A 104 -0.561 19.781 12.914 1.00 1.00 C ATOM 1560 O GLU A 104 -0.586 18.572 13.128 1.00 1.00 O ATOM 1561 CB GLU A 104 -2.701 21.096 12.709 1.00 1.00 C ATOM 1562 CG GLU A 104 -3.914 21.552 13.510 1.00 1.00 C ATOM 1563 CD GLU A 104 -5.014 22.123 12.650 1.00 1.00 C ATOM 1564 OE1 GLU A 104 -4.744 22.523 11.502 1.00 1.00 O ATOM 1565 OE2 GLU A 104 -6.151 22.180 13.120 1.00 1.00 O ATOM 0 H GLU A 104 -1.133 22.806 13.605 1.00 1.00 H new ATOM 0 HA GLU A 104 -1.908 20.219 14.499 1.00 1.00 H new ATOM 0 HB2 GLU A 104 -2.400 21.888 12.023 1.00 1.00 H new ATOM 0 HB3 GLU A 104 -2.971 20.233 12.101 1.00 1.00 H new ATOM 0 HG2 GLU A 104 -4.306 20.707 14.076 1.00 1.00 H new ATOM 0 HG3 GLU A 104 -3.601 22.304 14.235 1.00 1.00 H new ATOM 1572 N LEU A 105 0.305 20.339 12.081 1.00 1.00 N ATOM 1573 CA LEU A 105 1.255 19.532 11.340 1.00 1.00 C ATOM 1574 C LEU A 105 2.189 18.850 12.335 1.00 1.00 C ATOM 1575 O LEU A 105 2.462 17.672 12.247 1.00 1.00 O ATOM 1576 CB LEU A 105 2.057 20.419 10.352 1.00 1.00 C ATOM 1577 CG LEU A 105 3.302 19.741 9.752 1.00 0.00 C ATOM 1578 CD1 LEU A 105 2.916 18.504 8.947 1.00 0.00 C ATOM 1579 CD2 LEU A 105 4.111 20.721 8.907 1.00 0.00 C ATOM 0 H LEU A 105 0.367 21.342 11.904 1.00 1.00 H new ATOM 0 HA LEU A 105 0.729 18.776 10.756 1.00 1.00 H new ATOM 0 HB2 LEU A 105 1.397 20.724 9.539 1.00 1.00 H new ATOM 0 HB3 LEU A 105 2.367 21.327 10.868 1.00 1.00 H new ATOM 0 HG LEU A 105 3.936 19.417 10.577 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.814 18.044 8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.409 17.791 9.597 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.249 18.792 8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.984 20.213 8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.492 21.095 8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 105 4.436 21.556 9.529 1.00 0.00 H new ATOM 1591 N ARG A 106 2.670 19.604 13.303 1.00 1.00 N ATOM 1592 CA ARG A 106 3.616 19.033 14.238 1.00 1.00 C ATOM 1593 C ARG A 106 2.955 17.931 15.053 1.00 1.00 C ATOM 1594 O ARG A 106 3.572 16.911 15.321 1.00 1.00 O ATOM 1595 CB ARG A 106 4.170 20.101 15.163 1.00 1.00 C ATOM 1596 CG ARG A 106 5.326 19.607 16.002 1.00 1.00 C ATOM 1597 CD ARG A 106 5.924 20.671 16.897 1.00 1.00 C ATOM 1598 NE ARG A 106 7.353 20.416 17.034 1.00 1.00 N ATOM 1599 CZ ARG A 106 8.267 21.359 17.082 1.00 1.00 C ATOM 1600 NH1 ARG A 106 7.902 22.648 17.054 1.00 1.00 N ATOM 1601 NH2 ARG A 106 9.545 21.017 17.179 1.00 1.00 N ATOM 0 H ARG A 106 2.431 20.583 13.460 1.00 1.00 H new ATOM 0 HA ARG A 106 4.441 18.606 13.668 1.00 1.00 H new ATOM 0 HB2 ARG A 106 4.496 20.955 14.570 1.00 1.00 H new ATOM 0 HB3 ARG A 106 3.375 20.454 15.820 1.00 1.00 H new ATOM 0 HG2 ARG A 106 4.987 18.774 16.618 1.00 1.00 H new ATOM 0 HG3 ARG A 106 6.103 19.220 15.343 1.00 1.00 H new ATOM 0 HD2 ARG A 106 5.756 21.661 16.472 1.00 1.00 H new ATOM 0 HD3 ARG A 106 5.442 20.657 17.875 1.00 1.00 H new ATOM 0 HE ARG A 106 7.662 19.446 17.096 1.00 1.00 H new ATOM 0 HH11 ARG A 106 6.915 22.897 16.995 1.00 1.00 H new ATOM 0 HH12 ARG A 106 8.611 23.380 17.091 1.00 1.00 H new ATOM 0 HH21 ARG A 106 9.808 20.032 17.215 1.00 1.00 H new ATOM 0 HH22 ARG A 106 10.265 21.739 17.217 1.00 1.00 H new ATOM 1615 N HIS A 107 1.699 18.149 15.437 1.00 1.00 N ATOM 1616 CA HIS A 107 0.944 17.158 16.213 1.00 1.00 C ATOM 1617 C HIS A 107 0.814 15.837 15.438 1.00 1.00 C ATOM 1618 O HIS A 107 1.041 14.763 16.004 1.00 1.00 O ATOM 1619 CB HIS A 107 -0.438 17.708 16.569 1.00 1.00 C ATOM 1620 CG HIS A 107 -1.311 16.729 17.291 1.00 1.00 C ATOM 1621 ND1 HIS A 107 -1.133 16.414 18.619 1.00 1.00 N ATOM 1622 CD2 HIS A 107 -2.366 15.994 16.868 1.00 1.00 C ATOM 1623 CE1 HIS A 107 -2.042 15.526 18.985 1.00 1.00 C ATOM 1624 NE2 HIS A 107 -2.804 15.256 17.943 1.00 1.00 N ATOM 0 H HIS A 107 1.180 19.001 15.225 1.00 1.00 H new ATOM 0 HA HIS A 107 1.490 16.956 17.135 1.00 1.00 H new ATOM 0 HB2 HIS A 107 -0.316 18.597 17.188 1.00 1.00 H new ATOM 0 HB3 HIS A 107 -0.940 18.022 15.654 1.00 1.00 H new ATOM 0 HD2 HIS A 107 -2.785 15.988 15.873 1.00 1.00 H new ATOM 0 HE1 HIS A 107 -2.143 15.095 19.970 1.00 1.00 H new ATOM 0 HE2 HIS A 107 -3.590 14.606 17.935 1.00 1.00 H new ATOM 1633 N VAL A 108 0.439 15.930 14.157 1.00 1.00 N ATOM 1634 CA VAL A 108 0.326 14.753 13.288 1.00 1.00 C ATOM 1635 C VAL A 108 1.662 14.059 13.136 1.00 1.00 C ATOM 1636 O VAL A 108 1.763 12.851 13.325 1.00 1.00 O ATOM 1637 CB VAL A 108 -0.234 15.119 11.888 1.00 1.00 C ATOM 1638 CG1 VAL A 108 -1.693 15.496 11.996 1.00 0.00 C ATOM 1639 CG2 VAL A 108 0.532 16.232 11.221 1.00 0.00 C ATOM 0 H VAL A 108 0.208 16.811 13.698 1.00 1.00 H new ATOM 0 HA VAL A 108 -0.377 14.073 13.770 1.00 1.00 H new ATOM 0 HB VAL A 108 -0.120 14.233 11.263 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -2.077 15.751 11.008 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.257 14.655 12.398 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.799 16.354 12.659 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.093 16.442 10.246 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.486 17.128 11.841 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.572 15.932 11.093 1.00 0.00 H new ATOM 1649 N MET A 109 2.698 14.818 12.798 1.00 1.00 N ATOM 1650 CA MET A 109 4.003 14.199 12.622 1.00 1.00 C ATOM 1651 C MET A 109 4.469 13.528 13.916 1.00 1.00 C ATOM 1652 O MET A 109 4.975 12.414 13.873 1.00 1.00 O ATOM 1653 CB MET A 109 5.024 15.223 12.093 1.00 1.00 C ATOM 1654 CG MET A 109 4.538 15.934 10.798 1.00 1.00 C ATOM 1655 SD MET A 109 4.392 14.847 9.360 1.00 1.00 S ATOM 1656 CE MET A 109 6.033 14.402 9.133 1.00 1.00 C ATOM 0 H MET A 109 2.664 15.826 12.645 1.00 1.00 H new ATOM 0 HA MET A 109 3.918 13.413 11.871 1.00 1.00 H new ATOM 0 HB2 MET A 109 5.217 15.970 12.863 1.00 1.00 H new ATOM 0 HB3 MET A 109 5.970 14.719 11.894 1.00 1.00 H new ATOM 0 HG2 MET A 109 3.568 16.393 10.992 1.00 1.00 H new ATOM 0 HG3 MET A 109 5.230 16.741 10.559 1.00 1.00 H new ATOM 0 HE1 MET A 109 6.331 14.620 8.107 1.00 1.00 H new ATOM 0 HE2 MET A 109 6.662 14.967 9.821 1.00 1.00 H new ATOM 0 HE3 MET A 109 6.151 13.336 9.326 1.00 1.00 H new ATOM 1666 N THR A 110 4.296 14.193 15.062 1.00 1.00 N ATOM 1667 CA THR A 110 4.701 13.618 16.357 1.00 1.00 C ATOM 1668 C THR A 110 3.942 12.332 16.647 1.00 1.00 C ATOM 1669 O THR A 110 4.501 11.366 17.175 1.00 1.00 O ATOM 1670 CB THR A 110 4.459 14.622 17.493 1.00 1.00 C ATOM 1671 OG1 THR A 110 5.344 15.737 17.318 1.00 1.00 O ATOM 1672 CG2 THR A 110 4.863 14.036 18.871 1.00 1.00 C ATOM 0 H THR A 110 3.882 15.123 15.124 1.00 1.00 H new ATOM 0 HA THR A 110 5.765 13.391 16.298 1.00 1.00 H new ATOM 0 HB THR A 110 3.401 14.882 17.466 1.00 1.00 H new ATOM 0 HG1 THR A 110 4.965 16.355 16.658 1.00 1.00 H new ATOM 0 HG21 THR A 110 4.677 14.776 19.650 1.00 1.00 H new ATOM 0 HG22 THR A 110 4.274 13.141 19.073 1.00 1.00 H new ATOM 0 HG23 THR A 110 5.922 13.779 18.861 1.00 1.00 H new ATOM 1680 N ASN A 111 2.657 12.340 16.344 1.00 1.00 N ATOM 1681 CA ASN A 111 1.866 11.128 16.506 1.00 1.00 C ATOM 1682 C ASN A 111 2.409 10.023 15.592 1.00 1.00 C ATOM 1683 O ASN A 111 2.437 8.854 15.971 1.00 1.00 O ATOM 1684 CB ASN A 111 0.396 11.409 16.195 1.00 1.00 C ATOM 1685 CG ASN A 111 -0.333 12.084 17.344 1.00 1.00 C ATOM 1686 OD1 ASN A 111 0.259 12.422 18.373 1.00 1.00 O ATOM 1687 ND2 ASN A 111 -1.645 12.266 17.179 1.00 1.00 N ATOM 0 H ASN A 111 2.146 13.150 15.992 1.00 1.00 H new ATOM 0 HA ASN A 111 1.939 10.792 17.540 1.00 1.00 H new ATOM 0 HB2 ASN A 111 0.332 12.041 15.309 1.00 1.00 H new ATOM 0 HB3 ASN A 111 -0.105 10.471 15.954 1.00 1.00 H new ATOM 0 HD21 ASN A 111 -2.197 12.699 17.919 1.00 1.00 H new ATOM 0 HD22 ASN A 111 -2.096 11.972 16.312 1.00 1.00 H new ATOM 1694 N LEU A 112 2.824 10.387 14.378 1.00 1.00 N ATOM 1695 CA LEU A 112 3.363 9.400 13.452 1.00 1.00 C ATOM 1696 C LEU A 112 4.777 8.977 13.855 1.00 1.00 C ATOM 1697 O LEU A 112 5.424 8.201 13.144 1.00 1.00 O ATOM 1698 CB LEU A 112 3.358 9.910 12.018 1.00 1.00 C ATOM 1699 CG LEU A 112 1.973 10.044 11.384 1.00 0.00 C ATOM 1700 CD1 LEU A 112 2.062 10.784 10.058 1.00 0.00 C ATOM 1701 CD2 LEU A 112 1.340 8.674 11.192 1.00 0.00 C ATOM 0 H LEU A 112 2.797 11.342 14.021 1.00 1.00 H new ATOM 0 HA LEU A 112 2.711 8.528 13.503 1.00 1.00 H new ATOM 0 HB2 LEU A 112 3.848 10.883 11.993 1.00 1.00 H new ATOM 0 HB3 LEU A 112 3.957 9.235 11.406 1.00 1.00 H new ATOM 0 HG LEU A 112 1.340 10.623 12.057 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.067 10.870 9.622 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.472 11.780 10.224 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.711 10.233 9.377 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.355 8.789 10.740 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.971 8.070 10.540 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.240 8.181 12.159 1.00 0.00 H new ATOM 1713 N GLY A 113 5.248 9.482 14.991 1.00 1.00 N ATOM 1714 CA GLY A 113 6.541 9.088 15.512 1.00 1.00 C ATOM 1715 C GLY A 113 7.697 9.857 14.913 1.00 1.00 C ATOM 1716 O GLY A 113 8.862 9.507 15.118 1.00 1.00 O ATOM 0 H GLY A 113 4.750 10.164 15.564 1.00 1.00 H new ATOM 0 HA2 GLY A 113 6.545 9.227 16.593 1.00 1.00 H new ATOM 0 HA3 GLY A 113 6.689 8.024 15.327 1.00 1.00 H new ATOM 1720 N GLU A 114 7.378 10.909 14.167 1.00 1.00 N ATOM 1721 CA GLU A 114 8.405 11.756 13.594 1.00 1.00 C ATOM 1722 C GLU A 114 8.530 12.997 14.464 1.00 1.00 C ATOM 1723 O GLU A 114 7.737 13.944 14.320 1.00 1.00 O ATOM 1724 CB GLU A 114 8.034 12.171 12.158 1.00 1.00 C ATOM 1725 CG GLU A 114 8.009 11.034 11.143 1.00 1.00 C ATOM 1726 CD GLU A 114 9.366 10.368 10.971 1.00 1.00 C ATOM 1727 OE1 GLU A 114 10.358 11.072 10.741 1.00 1.00 O ATOM 1728 OE2 GLU A 114 9.447 9.125 11.073 1.00 1.00 O ATOM 0 H GLU A 114 6.422 11.190 13.949 1.00 1.00 H new ATOM 0 HA GLU A 114 9.348 11.211 13.556 1.00 1.00 H new ATOM 0 HB2 GLU A 114 7.052 12.644 12.175 1.00 1.00 H new ATOM 0 HB3 GLU A 114 8.745 12.925 11.819 1.00 1.00 H new ATOM 0 HG2 GLU A 114 7.280 10.287 11.458 1.00 1.00 H new ATOM 0 HG3 GLU A 114 7.674 11.420 10.180 1.00 1.00 H new ATOM 1735 N LYS A 115 9.529 13.016 15.346 1.00 1.00 N ATOM 1736 CA LYS A 115 9.712 14.140 16.249 1.00 1.00 C ATOM 1737 C LYS A 115 10.463 15.254 15.551 1.00 1.00 C ATOM 1738 O LYS A 115 11.642 15.447 15.765 1.00 1.00 O ATOM 1739 CB LYS A 115 10.436 13.703 17.538 1.00 1.00 C ATOM 1740 CG LYS A 115 9.740 12.560 18.292 1.00 1.00 C ATOM 1741 CD LYS A 115 10.483 12.236 19.595 1.00 1.00 C ATOM 1742 CE LYS A 115 9.881 11.007 20.298 1.00 1.00 C ATOM 1743 NZ LYS A 115 10.510 10.697 21.628 1.00 1.00 N ATOM 0 H LYS A 115 10.216 12.270 15.450 1.00 1.00 H new ATOM 0 HA LYS A 115 8.730 14.515 16.537 1.00 1.00 H new ATOM 0 HB2 LYS A 115 11.450 13.393 17.285 1.00 1.00 H new ATOM 0 HB3 LYS A 115 10.522 14.563 18.203 1.00 1.00 H new ATOM 0 HG2 LYS A 115 8.710 12.839 18.515 1.00 1.00 H new ATOM 0 HG3 LYS A 115 9.700 11.673 17.660 1.00 1.00 H new ATOM 0 HD2 LYS A 115 11.536 12.053 19.379 1.00 1.00 H new ATOM 0 HD3 LYS A 115 10.439 13.096 20.263 1.00 1.00 H new ATOM 0 HE2 LYS A 115 8.813 11.170 20.441 1.00 1.00 H new ATOM 0 HE3 LYS A 115 9.987 10.140 19.646 1.00 1.00 H new ATOM 0 HZ1 LYS A 115 10.054 9.858 22.041 1.00 1.00 H new ATOM 0 HZ2 LYS A 115 11.525 10.510 21.497 1.00 1.00 H new ATOM 0 HZ3 LYS A 115 10.387 11.508 22.268 1.00 1.00 H new ATOM 1757 N LEU A 116 9.751 15.987 14.704 1.00 1.00 N ATOM 1758 CA LEU A 116 10.380 17.040 13.923 1.00 1.00 C ATOM 1759 C LEU A 116 10.968 18.151 14.783 1.00 1.00 C ATOM 1760 O LEU A 116 10.432 18.485 15.848 1.00 1.00 O ATOM 1761 CB LEU A 116 9.356 17.633 12.953 1.00 1.00 C ATOM 1762 CG LEU A 116 8.718 16.681 11.955 1.00 1.00 C ATOM 1763 CD1 LEU A 116 7.791 17.510 11.041 1.00 1.00 C ATOM 1764 CD2 LEU A 116 9.796 15.966 11.154 1.00 1.00 C ATOM 0 H LEU A 116 8.750 15.873 14.543 1.00 1.00 H new ATOM 0 HA LEU A 116 11.209 16.585 13.381 1.00 1.00 H new ATOM 0 HB2 LEU A 116 8.560 18.092 13.540 1.00 1.00 H new ATOM 0 HB3 LEU A 116 9.842 18.433 12.395 1.00 1.00 H new ATOM 0 HG LEU A 116 8.135 15.915 12.465 1.00 1.00 H new ATOM 0 HD11 LEU A 116 7.317 16.853 10.312 1.00 1.00 H new ATOM 0 HD12 LEU A 116 7.024 17.995 11.645 1.00 1.00 H new ATOM 0 HD13 LEU A 116 8.376 18.268 10.520 1.00 1.00 H new ATOM 0 HD21 LEU A 116 9.329 15.286 10.442 1.00 1.00 H new ATOM 0 HD22 LEU A 116 10.396 16.700 10.616 1.00 1.00 H new ATOM 0 HD23 LEU A 116 10.436 15.399 11.830 1.00 1.00 H new ATOM 1776 N THR A 117 12.081 18.713 14.329 1.00 1.00 N ATOM 1777 CA THR A 117 12.663 19.847 15.015 1.00 1.00 C ATOM 1778 C THR A 117 11.861 21.073 14.634 1.00 1.00 C ATOM 1779 O THR A 117 11.094 21.071 13.642 1.00 1.00 O ATOM 1780 CB THR A 117 14.126 20.088 14.594 1.00 1.00 C ATOM 1781 OG1 THR A 117 14.150 20.456 13.206 1.00 1.00 O ATOM 1782 CG2 THR A 117 14.942 18.792 14.661 1.00 1.00 C ATOM 0 H THR A 117 12.589 18.404 13.500 1.00 1.00 H new ATOM 0 HA THR A 117 12.644 19.651 16.087 1.00 1.00 H new ATOM 0 HB THR A 117 14.535 20.850 15.258 1.00 1.00 H new ATOM 0 HG1 THR A 117 15.076 20.614 12.925 1.00 1.00 H new ATOM 0 HG21 THR A 117 15.970 18.993 14.359 1.00 1.00 H new ATOM 0 HG22 THR A 117 14.932 18.408 15.681 1.00 1.00 H new ATOM 0 HG23 THR A 117 14.505 18.052 13.991 1.00 1.00 H new ATOM 1790 N ASP A 118 12.041 22.138 15.405 1.00 1.00 N ATOM 1791 CA ASP A 118 11.357 23.383 15.073 1.00 1.00 C ATOM 1792 C ASP A 118 11.637 23.806 13.627 1.00 1.00 C ATOM 1793 O ASP A 118 10.732 24.235 12.911 1.00 1.00 O ATOM 1794 CB ASP A 118 11.800 24.501 16.016 1.00 1.00 C ATOM 1795 CG ASP A 118 11.348 24.283 17.443 1.00 1.00 C ATOM 1796 OD1 ASP A 118 10.457 23.469 17.763 1.00 1.00 O ATOM 1797 OD2 ASP A 118 11.890 24.972 18.352 1.00 1.00 O ATOM 0 H ASP A 118 12.632 22.169 16.236 1.00 1.00 H new ATOM 0 HA ASP A 118 10.287 23.208 15.185 1.00 1.00 H new ATOM 0 HB2 ASP A 118 12.887 24.579 15.993 1.00 1.00 H new ATOM 0 HB3 ASP A 118 11.404 25.451 15.656 1.00 1.00 H new ATOM 1802 N GLU A 119 12.902 23.708 13.217 1.00 1.00 N ATOM 1803 CA GLU A 119 13.325 24.113 11.876 1.00 1.00 C ATOM 1804 C GLU A 119 12.665 23.263 10.803 1.00 1.00 C ATOM 1805 O GLU A 119 12.301 23.760 9.733 1.00 1.00 O ATOM 1806 CB GLU A 119 14.851 23.998 11.763 1.00 1.00 C ATOM 1807 CG GLU A 119 15.490 24.834 10.684 1.00 1.00 C ATOM 1808 CD GLU A 119 17.017 24.723 10.663 1.00 1.00 C ATOM 1809 OE1 GLU A 119 17.562 23.664 11.071 1.00 1.00 O ATOM 1810 OE2 GLU A 119 17.681 25.688 10.230 1.00 1.00 O ATOM 0 H GLU A 119 13.658 23.348 13.800 1.00 1.00 H new ATOM 0 HA GLU A 119 13.017 25.147 11.721 1.00 1.00 H new ATOM 0 HB2 GLU A 119 15.290 24.276 12.721 1.00 1.00 H new ATOM 0 HB3 GLU A 119 15.106 22.953 11.587 1.00 1.00 H new ATOM 0 HG2 GLU A 119 15.096 24.528 9.715 1.00 1.00 H new ATOM 0 HG3 GLU A 119 15.210 25.878 10.827 1.00 1.00 H new ATOM 1817 N GLU A 120 12.520 21.970 11.084 1.00 1.00 N ATOM 1818 CA GLU A 120 11.878 21.059 10.130 1.00 1.00 C ATOM 1819 C GLU A 120 10.402 21.406 9.909 1.00 1.00 C ATOM 1820 O GLU A 120 9.909 21.382 8.784 1.00 1.00 O ATOM 1821 CB GLU A 120 12.054 19.607 10.593 1.00 1.00 C ATOM 1822 CG GLU A 120 13.474 19.125 10.350 1.00 1.00 C ATOM 1823 CD GLU A 120 13.804 17.820 11.027 1.00 1.00 C ATOM 1824 OE1 GLU A 120 13.039 17.395 11.930 1.00 1.00 O ATOM 1825 OE2 GLU A 120 14.831 17.219 10.646 1.00 1.00 O ATOM 0 H GLU A 120 12.832 21.531 11.950 1.00 1.00 H new ATOM 0 HA GLU A 120 12.369 21.177 9.164 1.00 1.00 H new ATOM 0 HB2 GLU A 120 11.816 19.529 11.654 1.00 1.00 H new ATOM 0 HB3 GLU A 120 11.352 18.965 10.061 1.00 1.00 H new ATOM 0 HG2 GLU A 120 13.631 19.015 9.277 1.00 1.00 H new ATOM 0 HG3 GLU A 120 14.170 19.889 10.697 1.00 1.00 H new ATOM 1832 N VAL A 121 9.683 21.690 10.989 1.00 1.00 N ATOM 1833 CA VAL A 121 8.276 22.063 10.875 1.00 1.00 C ATOM 1834 C VAL A 121 8.141 23.360 10.073 1.00 1.00 C ATOM 1835 O VAL A 121 7.337 23.448 9.162 1.00 1.00 O ATOM 1836 CB VAL A 121 7.636 22.273 12.252 1.00 1.00 C ATOM 1837 CG1 VAL A 121 7.259 20.932 12.854 1.00 0.00 C ATOM 1838 CG2 VAL A 121 8.461 23.067 13.227 1.00 0.00 C ATOM 0 H VAL A 121 10.044 21.670 11.943 1.00 1.00 H new ATOM 0 HA VAL A 121 7.763 21.246 10.368 1.00 1.00 H new ATOM 0 HB VAL A 121 6.750 22.881 12.071 1.00 1.00 H new ATOM 0 HG11 VAL A 121 6.805 21.087 13.833 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.548 20.426 12.200 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.153 20.318 12.962 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.921 23.159 14.170 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.409 22.558 13.400 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.651 24.060 12.819 1.00 0.00 H new ATOM 1848 N ASP A 122 8.952 24.359 10.409 1.00 1.00 N ATOM 1849 CA ASP A 122 8.913 25.633 9.695 1.00 1.00 C ATOM 1850 C ASP A 122 9.153 25.462 8.195 1.00 1.00 C ATOM 1851 O ASP A 122 8.525 26.124 7.363 1.00 1.00 O ATOM 1852 CB ASP A 122 9.994 26.575 10.230 1.00 1.00 C ATOM 1853 CG ASP A 122 9.709 27.076 11.633 1.00 1.00 C ATOM 1854 OD1 ASP A 122 8.540 27.091 12.067 1.00 1.00 O ATOM 1855 OD2 ASP A 122 10.618 27.516 12.372 1.00 1.00 O ATOM 0 H ASP A 122 9.638 24.314 11.163 1.00 1.00 H new ATOM 0 HA ASP A 122 7.917 26.045 9.855 1.00 1.00 H new ATOM 0 HB2 ASP A 122 10.953 26.057 10.224 1.00 1.00 H new ATOM 0 HB3 ASP A 122 10.088 27.428 9.558 1.00 1.00 H new ATOM 1860 N GLU A 123 10.088 24.587 7.843 1.00 1.00 N ATOM 1861 CA GLU A 123 10.376 24.367 6.441 1.00 1.00 C ATOM 1862 C GLU A 123 9.174 23.729 5.727 1.00 1.00 C ATOM 1863 O GLU A 123 8.853 24.088 4.593 1.00 1.00 O ATOM 1864 CB GLU A 123 11.592 23.448 6.316 1.00 1.00 C ATOM 1865 CG GLU A 123 12.028 23.193 4.892 1.00 1.00 C ATOM 1866 CD GLU A 123 12.732 24.377 4.270 1.00 1.00 C ATOM 1867 OE1 GLU A 123 13.117 25.332 5.008 1.00 1.00 O ATOM 1868 OE2 GLU A 123 12.900 24.345 3.032 1.00 1.00 O ATOM 0 H GLU A 123 10.644 24.033 8.494 1.00 1.00 H new ATOM 0 HA GLU A 123 10.583 25.329 5.972 1.00 1.00 H new ATOM 0 HB2 GLU A 123 12.424 23.887 6.866 1.00 1.00 H new ATOM 0 HB3 GLU A 123 11.364 22.494 6.791 1.00 1.00 H new ATOM 0 HG2 GLU A 123 12.693 22.329 4.870 1.00 1.00 H new ATOM 0 HG3 GLU A 123 11.155 22.939 4.290 1.00 1.00 H new ATOM 1875 N MET A 124 8.526 22.754 6.371 1.00 1.00 N ATOM 1876 CA MET A 124 7.371 22.126 5.730 1.00 1.00 C ATOM 1877 C MET A 124 6.257 23.140 5.478 1.00 1.00 C ATOM 1878 O MET A 124 5.610 23.143 4.420 1.00 1.00 O ATOM 1879 CB MET A 124 6.606 21.062 6.681 1.00 0.00 C ATOM 1880 CG MET A 124 7.356 19.882 7.316 1.00 0.00 C ATOM 1881 SD MET A 124 6.346 18.706 8.227 1.00 0.00 S ATOM 1882 CE MET A 124 5.702 17.706 6.889 1.00 0.00 C ATOM 0 H MET A 124 8.768 22.396 7.295 1.00 1.00 H new ATOM 0 HA MET A 124 7.799 21.673 4.836 1.00 1.00 H new ATOM 0 HB2 MET A 124 6.156 21.629 7.496 1.00 0.00 H new ATOM 0 HB3 MET A 124 5.788 20.642 6.095 1.00 0.00 H new ATOM 0 HG2 MET A 124 7.882 19.345 6.527 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.114 20.280 7.991 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.668 17.987 6.689 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.301 17.867 5.993 1.00 0.00 H new ATOM 0 HE3 MET A 124 5.744 16.653 7.169 1.00 0.00 H new ATOM 1892 N ILE A 125 6.009 23.987 6.450 1.00 1.00 N ATOM 1893 CA ILE A 125 4.960 24.987 6.286 1.00 1.00 C ATOM 1894 C ILE A 125 5.350 26.015 5.220 1.00 1.00 C ATOM 1895 O ILE A 125 4.570 26.300 4.337 1.00 1.00 O ATOM 1896 CB ILE A 125 4.644 25.692 7.616 1.00 1.00 C ATOM 1897 CG1 ILE A 125 4.137 24.685 8.661 1.00 0.00 C ATOM 1898 CG2 ILE A 125 3.637 26.831 7.427 1.00 0.00 C ATOM 1899 CD1 ILE A 125 2.688 24.269 8.482 1.00 0.00 C ATOM 0 H ILE A 125 6.500 24.012 7.343 1.00 1.00 H new ATOM 0 HA ILE A 125 4.060 24.467 5.957 1.00 1.00 H new ATOM 0 HB ILE A 125 5.572 26.131 7.982 1.00 1.00 H new ATOM 0 HG12 ILE A 125 4.765 23.795 8.624 1.00 0.00 H new ATOM 0 HG13 ILE A 125 4.257 25.119 9.654 1.00 0.00 H new ATOM 0 HG21 ILE A 125 3.439 27.305 8.388 1.00 0.00 H new ATOM 0 HG22 ILE A 125 4.047 27.568 6.737 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.708 26.431 7.021 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.415 23.558 9.262 1.00 0.00 H new ATOM 0 HD12 ILE A 125 2.046 25.147 8.551 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.561 23.803 7.505 1.00 0.00 H new ATOM 1911 N ARG A 126 6.564 26.542 5.306 1.00 1.00 N ATOM 1912 CA ARG A 126 6.996 27.584 4.363 1.00 1.00 C ATOM 1913 C ARG A 126 6.905 27.084 2.933 1.00 1.00 C ATOM 1914 O ARG A 126 6.454 27.793 2.018 1.00 1.00 O ATOM 1915 CB ARG A 126 8.438 27.973 4.680 1.00 1.00 C ATOM 1916 CG ARG A 126 9.128 28.843 3.638 1.00 1.00 C ATOM 1917 CD ARG A 126 10.610 29.030 3.947 1.00 1.00 C ATOM 1918 NE ARG A 126 10.711 29.499 5.321 1.00 1.00 N ATOM 1919 CZ ARG A 126 11.352 28.881 6.308 1.00 1.00 C ATOM 1920 NH1 ARG A 126 12.018 27.755 6.100 1.00 1.00 N ATOM 1921 NH2 ARG A 126 11.349 29.428 7.518 1.00 1.00 N ATOM 0 H ARG A 126 7.261 26.277 6.002 1.00 1.00 H new ATOM 0 HA ARG A 126 6.343 28.450 4.466 1.00 1.00 H new ATOM 0 HB2 ARG A 126 8.452 28.500 5.634 1.00 1.00 H new ATOM 0 HB3 ARG A 126 9.021 27.061 4.810 1.00 1.00 H new ATOM 0 HG2 ARG A 126 9.017 28.388 2.654 1.00 1.00 H new ATOM 0 HG3 ARG A 126 8.640 29.817 3.597 1.00 1.00 H new ATOM 0 HD2 ARG A 126 11.150 28.092 3.821 1.00 1.00 H new ATOM 0 HD3 ARG A 126 11.057 29.750 3.262 1.00 1.00 H new ATOM 0 HE ARG A 126 10.249 30.380 5.547 1.00 1.00 H new ATOM 0 HH11 ARG A 126 12.046 27.344 5.167 1.00 1.00 H new ATOM 0 HH12 ARG A 126 12.502 27.299 6.873 1.00 1.00 H new ATOM 0 HH21 ARG A 126 10.860 30.309 7.678 1.00 1.00 H new ATOM 0 HH22 ARG A 126 11.836 28.968 8.287 1.00 1.00 H new ATOM 1935 N GLU A 127 7.335 25.849 2.714 1.00 1.00 N ATOM 1936 CA GLU A 127 7.323 25.352 1.346 1.00 1.00 C ATOM 1937 C GLU A 127 5.935 25.090 0.787 1.00 1.00 C ATOM 1938 O GLU A 127 5.723 25.215 -0.417 1.00 1.00 O ATOM 1939 CB GLU A 127 8.229 24.132 1.192 1.00 1.00 C ATOM 1940 CG GLU A 127 9.713 24.492 1.232 1.00 1.00 C ATOM 1941 CD GLU A 127 10.124 25.402 0.082 1.00 1.00 C ATOM 1942 OE1 GLU A 127 9.789 25.085 -1.081 1.00 1.00 O ATOM 1943 OE2 GLU A 127 10.772 26.443 0.332 1.00 1.00 O ATOM 0 H GLU A 127 7.679 25.202 3.424 1.00 1.00 H new ATOM 0 HA GLU A 127 7.725 26.163 0.739 1.00 1.00 H new ATOM 0 HB2 GLU A 127 8.010 23.419 1.987 1.00 1.00 H new ATOM 0 HB3 GLU A 127 8.005 23.635 0.248 1.00 1.00 H new ATOM 0 HG2 GLU A 127 9.939 24.983 2.178 1.00 1.00 H new ATOM 0 HG3 GLU A 127 10.306 23.578 1.198 1.00 1.00 H new ATOM 1950 N ALA A 128 4.989 24.708 1.639 1.00 1.00 N ATOM 1951 CA ALA A 128 3.641 24.475 1.162 1.00 1.00 C ATOM 1952 C ALA A 128 2.837 25.761 1.062 1.00 1.00 C ATOM 1953 O ALA A 128 1.881 25.828 0.303 1.00 1.00 O ATOM 1954 CB ALA A 128 2.910 23.518 2.086 1.00 1.00 C ATOM 0 H ALA A 128 5.130 24.558 2.638 1.00 1.00 H new ATOM 0 HA ALA A 128 3.733 24.045 0.165 1.00 1.00 H new ATOM 0 HB1 ALA A 128 1.899 23.354 1.714 1.00 1.00 H new ATOM 0 HB2 ALA A 128 3.443 22.568 2.121 1.00 1.00 H new ATOM 0 HB3 ALA A 128 2.863 23.945 3.088 1.00 1.00 H new ATOM 1960 N ASP A 129 3.230 26.765 1.839 1.00 1.00 N ATOM 1961 CA ASP A 129 2.436 27.982 1.984 1.00 1.00 C ATOM 1962 C ASP A 129 2.617 29.007 0.841 1.00 1.00 C ATOM 1963 O ASP A 129 3.242 30.057 1.013 1.00 1.00 O ATOM 1964 CB ASP A 129 2.779 28.614 3.334 1.00 1.00 C ATOM 1965 CG ASP A 129 1.987 29.863 3.613 1.00 1.00 C ATOM 1966 OD1 ASP A 129 0.880 30.013 3.037 1.00 1.00 O ATOM 1967 OD2 ASP A 129 2.412 30.740 4.404 1.00 1.00 O ATOM 0 H ASP A 129 4.095 26.761 2.379 1.00 1.00 H new ATOM 0 HA ASP A 129 1.386 27.694 1.932 1.00 1.00 H new ATOM 0 HB2 ASP A 129 2.595 27.889 4.126 1.00 1.00 H new ATOM 0 HB3 ASP A 129 3.843 28.851 3.359 1.00 1.00 H new ATOM 1972 N ILE A 130 2.030 28.705 -0.311 1.00 1.00 N ATOM 1973 CA ILE A 130 2.159 29.560 -1.502 1.00 1.00 C ATOM 1974 C ILE A 130 1.652 30.983 -1.294 1.00 1.00 C ATOM 1975 O ILE A 130 2.258 31.968 -1.803 1.00 1.00 O ATOM 1976 CB ILE A 130 1.412 28.917 -2.679 1.00 1.00 C ATOM 1977 CG1 ILE A 130 2.033 27.556 -3.010 1.00 1.00 C ATOM 1978 CG2 ILE A 130 1.354 29.866 -3.907 1.00 1.00 C ATOM 1979 CD1 ILE A 130 1.221 26.767 -3.978 1.00 1.00 C ATOM 0 H ILE A 130 1.457 27.873 -0.453 1.00 1.00 H new ATOM 0 HA ILE A 130 3.226 29.638 -1.712 1.00 1.00 H new ATOM 0 HB ILE A 130 0.376 28.745 -2.388 1.00 1.00 H new ATOM 0 HG12 ILE A 130 3.031 27.708 -3.420 1.00 1.00 H new ATOM 0 HG13 ILE A 130 2.150 26.983 -2.090 1.00 1.00 H new ATOM 0 HG21 ILE A 130 0.818 29.377 -4.720 1.00 1.00 H new ATOM 0 HG22 ILE A 130 0.836 30.785 -3.632 1.00 1.00 H new ATOM 0 HG23 ILE A 130 2.367 30.103 -4.232 1.00 1.00 H new ATOM 0 HD11 ILE A 130 1.712 25.814 -4.173 1.00 1.00 H new ATOM 0 HD12 ILE A 130 0.231 26.586 -3.560 1.00 1.00 H new ATOM 0 HD13 ILE A 130 1.125 27.323 -4.911 1.00 1.00 H new ATOM 1991 N ASP A 131 0.537 31.122 -0.584 1.00 1.00 N ATOM 1992 CA ASP A 131 -0.050 32.468 -0.407 1.00 1.00 C ATOM 1993 C ASP A 131 0.519 33.326 0.735 1.00 1.00 C ATOM 1994 O ASP A 131 0.213 34.515 0.851 1.00 1.00 O ATOM 1995 CB ASP A 131 -1.586 32.456 -0.422 1.00 1.00 C ATOM 1996 CG ASP A 131 -2.173 31.628 0.705 1.00 0.00 C ATOM 1997 OD1 ASP A 131 -1.761 31.830 1.867 1.00 0.00 O ATOM 1998 OD2 ASP A 131 -3.044 30.778 0.425 1.00 0.00 O ATOM 0 H ASP A 131 0.030 30.360 -0.134 1.00 1.00 H new ATOM 0 HA ASP A 131 0.289 32.992 -1.300 1.00 1.00 H new ATOM 0 HB2 ASP A 131 -1.955 33.479 -0.347 1.00 1.00 H new ATOM 0 HB3 ASP A 131 -1.933 32.062 -1.377 1.00 1.00 H new ATOM 2003 N GLY A 132 1.377 32.734 1.549 1.00 1.00 N ATOM 2004 CA GLY A 132 2.046 33.464 2.610 1.00 1.00 C ATOM 2005 C GLY A 132 1.281 33.759 3.886 1.00 1.00 C ATOM 2006 O GLY A 132 1.730 34.575 4.694 1.00 1.00 O ATOM 0 H GLY A 132 1.626 31.747 1.494 1.00 1.00 H new ATOM 0 HA2 GLY A 132 2.941 32.904 2.883 1.00 1.00 H new ATOM 0 HA3 GLY A 132 2.379 34.416 2.197 1.00 1.00 H new ATOM 2010 N ASP A 133 0.146 33.103 4.100 1.00 1.00 N ATOM 2011 CA ASP A 133 -0.610 33.365 5.319 1.00 1.00 C ATOM 2012 C ASP A 133 -0.132 32.562 6.528 1.00 1.00 C ATOM 2013 O ASP A 133 -0.696 32.671 7.614 1.00 1.00 O ATOM 2014 CB ASP A 133 -2.118 33.230 5.100 1.00 1.00 C ATOM 2015 CG ASP A 133 -2.545 31.811 4.905 1.00 1.00 C ATOM 2016 OD1 ASP A 133 -1.645 30.950 4.811 1.00 1.00 O ATOM 2017 OD2 ASP A 133 -3.747 31.475 4.842 1.00 1.00 O ATOM 0 H ASP A 133 -0.260 32.410 3.471 1.00 1.00 H new ATOM 0 HA ASP A 133 -0.407 34.407 5.566 1.00 1.00 H new ATOM 0 HB2 ASP A 133 -2.645 33.650 5.957 1.00 1.00 H new ATOM 0 HB3 ASP A 133 -2.409 33.816 4.228 1.00 1.00 H new ATOM 2022 N GLY A 134 0.908 31.753 6.343 1.00 1.00 N ATOM 2023 CA GLY A 134 1.475 31.000 7.453 1.00 1.00 C ATOM 2024 C GLY A 134 0.827 29.670 7.737 1.00 1.00 C ATOM 2025 O GLY A 134 1.204 28.985 8.682 1.00 1.00 O ATOM 0 H GLY A 134 1.369 31.604 5.445 1.00 1.00 H new ATOM 0 HA2 GLY A 134 2.533 30.833 7.252 1.00 1.00 H new ATOM 0 HA3 GLY A 134 1.415 31.613 8.353 1.00 1.00 H new ATOM 2029 N GLN A 135 -0.135 29.293 6.906 1.00 1.00 N ATOM 2030 CA GLN A 135 -0.811 28.003 7.075 1.00 1.00 C ATOM 2031 C GLN A 135 -1.077 27.384 5.716 1.00 1.00 C ATOM 2032 O GLN A 135 -0.871 28.009 4.673 1.00 1.00 O ATOM 2033 CB GLN A 135 -2.107 28.172 7.863 1.00 1.00 C ATOM 2034 CG GLN A 135 -3.001 29.250 7.334 1.00 1.00 C ATOM 2035 CD GLN A 135 -4.134 29.587 8.282 1.00 1.00 C ATOM 2036 OE1 GLN A 135 -4.177 29.087 9.409 1.00 1.00 O ATOM 2037 NE2 GLN A 135 -5.050 30.442 7.833 1.00 1.00 N ATOM 0 H GLN A 135 -0.465 29.849 6.117 1.00 1.00 H new ATOM 0 HA GLN A 135 -0.164 27.334 7.643 1.00 1.00 H new ATOM 0 HB2 GLN A 135 -2.650 27.227 7.857 1.00 1.00 H new ATOM 0 HB3 GLN A 135 -1.863 28.393 8.902 1.00 1.00 H new ATOM 0 HG2 GLN A 135 -2.410 30.147 7.147 1.00 1.00 H new ATOM 0 HG3 GLN A 135 -3.415 28.935 6.376 1.00 1.00 H new ATOM 0 HE21 GLN A 135 -4.970 30.828 6.892 1.00 1.00 H new ATOM 0 HE22 GLN A 135 -5.832 30.711 8.430 1.00 1.00 H new ATOM 2046 N VAL A 136 -1.557 26.153 5.722 1.00 1.00 N ATOM 2047 CA VAL A 136 -1.700 25.430 4.489 1.00 1.00 C ATOM 2048 C VAL A 136 -3.152 25.167 4.198 1.00 1.00 C ATOM 2049 O VAL A 136 -3.829 24.437 4.934 1.00 1.00 O ATOM 2050 CB VAL A 136 -0.956 24.079 4.569 1.00 1.00 C ATOM 2051 CG1 VAL A 136 -0.019 23.982 5.772 1.00 0.00 C ATOM 2052 CG2 VAL A 136 -1.812 22.804 4.469 1.00 0.00 C ATOM 0 H VAL A 136 -1.848 25.646 6.558 1.00 1.00 H new ATOM 0 HA VAL A 136 -1.273 26.038 3.692 1.00 1.00 H new ATOM 0 HB VAL A 136 -0.373 24.103 3.648 1.00 1.00 H new ATOM 0 HG11 VAL A 136 0.474 23.010 5.772 1.00 0.00 H new ATOM 0 HG12 VAL A 136 0.732 24.770 5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -0.594 24.097 6.691 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -1.168 21.927 4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -2.537 22.788 5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.338 22.793 3.514 1.00 0.00 H new ATOM 2062 N ASN A 137 -3.642 25.762 3.117 1.00 1.00 N ATOM 2063 CA ASN A 137 -5.012 25.520 2.723 1.00 1.00 C ATOM 2064 C ASN A 137 -5.104 24.290 1.813 1.00 1.00 C ATOM 2065 O ASN A 137 -4.096 23.647 1.499 1.00 1.00 O ATOM 2066 CB ASN A 137 -5.655 26.804 2.115 1.00 1.00 C ATOM 2067 CG ASN A 137 -5.094 27.165 0.738 1.00 1.00 C ATOM 2068 OD1 ASN A 137 -4.372 26.386 0.124 1.00 1.00 O ATOM 2069 ND2 ASN A 137 -5.423 28.376 0.256 1.00 1.00 N ATOM 0 H ASN A 137 -3.121 26.399 2.515 1.00 1.00 H new ATOM 0 HA ASN A 137 -5.603 25.286 3.608 1.00 1.00 H new ATOM 0 HB2 ASN A 137 -6.732 26.660 2.035 1.00 1.00 H new ATOM 0 HB3 ASN A 137 -5.495 27.640 2.796 1.00 1.00 H new ATOM 0 HD21 ASN A 137 -5.069 28.677 -0.652 1.00 1.00 H new ATOM 0 HD22 ASN A 137 -6.026 28.994 0.798 1.00 1.00 H new ATOM 2076 N TYR A 138 -6.311 23.948 1.406 1.00 1.00 N ATOM 2077 CA TYR A 138 -6.506 22.748 0.605 1.00 1.00 C ATOM 2078 C TYR A 138 -5.791 22.783 -0.746 1.00 1.00 C ATOM 2079 O TYR A 138 -5.142 21.813 -1.143 1.00 1.00 O ATOM 2080 CB TYR A 138 -7.999 22.445 0.446 1.00 1.00 C ATOM 2081 CG TYR A 138 -8.249 21.220 -0.388 1.00 1.00 C ATOM 2082 CD1 TYR A 138 -7.823 19.973 0.042 1.00 1.00 C ATOM 2083 CD2 TYR A 138 -8.892 21.305 -1.616 1.00 1.00 C ATOM 2084 CE1 TYR A 138 -8.029 18.852 -0.712 1.00 1.00 C ATOM 2085 CE2 TYR A 138 -9.101 20.173 -2.385 1.00 1.00 C ATOM 2086 CZ TYR A 138 -8.673 18.951 -1.919 1.00 1.00 C ATOM 2087 OH TYR A 138 -8.865 17.805 -2.663 1.00 1.00 O ATOM 0 H TYR A 138 -7.161 24.473 1.611 1.00 1.00 H new ATOM 0 HA TYR A 138 -6.037 21.932 1.155 1.00 1.00 H new ATOM 0 HB2 TYR A 138 -8.446 22.308 1.431 1.00 1.00 H new ATOM 0 HB3 TYR A 138 -8.494 23.301 -0.013 1.00 1.00 H new ATOM 0 HD1 TYR A 138 -7.318 19.886 0.993 1.00 1.00 H new ATOM 0 HD2 TYR A 138 -9.233 22.265 -1.975 1.00 1.00 H new ATOM 0 HE1 TYR A 138 -7.686 17.891 -0.359 1.00 1.00 H new ATOM 0 HE2 TYR A 138 -9.596 20.248 -3.342 1.00 1.00 H new ATOM 0 HH TYR A 138 -9.336 18.029 -3.493 1.00 1.00 H new ATOM 2097 N GLU A 139 -5.903 23.910 -1.451 1.00 1.00 N ATOM 2098 CA GLU A 139 -5.241 24.034 -2.739 1.00 1.00 C ATOM 2099 C GLU A 139 -3.732 23.896 -2.595 1.00 1.00 C ATOM 2100 O GLU A 139 -3.087 23.266 -3.420 1.00 1.00 O ATOM 2101 CB GLU A 139 -5.591 25.361 -3.412 1.00 1.00 C ATOM 2102 CG GLU A 139 -4.974 25.488 -4.784 1.00 1.00 C ATOM 2103 CD GLU A 139 -5.381 26.762 -5.506 1.00 1.00 C ATOM 2104 OE1 GLU A 139 -5.875 27.715 -4.849 1.00 1.00 O ATOM 2105 OE2 GLU A 139 -5.198 26.819 -6.748 1.00 1.00 O ATOM 0 H GLU A 139 -6.434 24.729 -1.156 1.00 1.00 H new ATOM 0 HA GLU A 139 -5.601 23.223 -3.372 1.00 1.00 H new ATOM 0 HB2 GLU A 139 -6.674 25.450 -3.494 1.00 1.00 H new ATOM 0 HB3 GLU A 139 -5.250 26.185 -2.785 1.00 1.00 H new ATOM 0 HG2 GLU A 139 -3.888 25.461 -4.691 1.00 1.00 H new ATOM 0 HG3 GLU A 139 -5.264 24.627 -5.387 1.00 1.00 H new ATOM 2112 N GLU A 140 -3.176 24.487 -1.542 1.00 1.00 N ATOM 2113 CA GLU A 140 -1.735 24.384 -1.300 1.00 1.00 C ATOM 2114 C GLU A 140 -1.351 22.931 -1.006 1.00 1.00 C ATOM 2115 O GLU A 140 -0.316 22.440 -1.463 1.00 1.00 O ATOM 2116 CB GLU A 140 -1.331 25.292 -0.145 1.00 1.00 C ATOM 2117 CG GLU A 140 -1.362 26.759 -0.555 1.00 1.00 C ATOM 2118 CD GLU A 140 -1.322 27.728 0.609 1.00 1.00 C ATOM 2119 OE1 GLU A 140 -1.552 27.306 1.754 1.00 1.00 O ATOM 2120 OE2 GLU A 140 -1.085 28.945 0.363 1.00 1.00 O ATOM 0 H GLU A 140 -3.689 25.035 -0.851 1.00 1.00 H new ATOM 0 HA GLU A 140 -1.202 24.706 -2.194 1.00 1.00 H new ATOM 0 HB2 GLU A 140 -2.005 25.134 0.697 1.00 1.00 H new ATOM 0 HB3 GLU A 140 -0.329 25.028 0.194 1.00 1.00 H new ATOM 0 HG2 GLU A 140 -0.514 26.960 -1.210 1.00 1.00 H new ATOM 0 HG3 GLU A 140 -2.265 26.944 -1.137 1.00 1.00 H new ATOM 2127 N PHE A 141 -2.181 22.266 -0.218 1.00 1.00 N ATOM 2128 CA PHE A 141 -1.947 20.847 0.088 1.00 1.00 C ATOM 2129 C PHE A 141 -1.968 19.991 -1.185 1.00 1.00 C ATOM 2130 O PHE A 141 -1.100 19.130 -1.406 1.00 1.00 O ATOM 2131 CB PHE A 141 -3.010 20.391 1.091 1.00 1.00 C ATOM 2132 CG PHE A 141 -2.834 18.974 1.631 1.00 1.00 C ATOM 2133 CD1 PHE A 141 -2.027 18.725 2.736 1.00 1.00 C ATOM 2134 CD2 PHE A 141 -3.574 17.929 1.094 1.00 1.00 C ATOM 2135 CE1 PHE A 141 -1.941 17.423 3.268 1.00 1.00 C ATOM 2136 CE2 PHE A 141 -3.469 16.653 1.589 1.00 1.00 C ATOM 2137 CZ PHE A 141 -2.655 16.404 2.694 1.00 1.00 C ATOM 0 H PHE A 141 -3.010 22.669 0.219 1.00 1.00 H new ATOM 0 HA PHE A 141 -0.956 20.722 0.525 1.00 1.00 H new ATOM 0 HB2 PHE A 141 -3.013 21.085 1.932 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -3.988 20.462 0.616 1.00 1.00 H new ATOM 0 HD1 PHE A 141 -1.466 19.530 3.187 1.00 1.00 H new ATOM 0 HD2 PHE A 141 -4.245 18.124 0.271 1.00 1.00 H new ATOM 0 HE1 PHE A 141 -1.314 17.229 4.126 1.00 1.00 H new ATOM 0 HE2 PHE A 141 -4.015 15.845 1.125 1.00 1.00 H new ATOM 0 HZ PHE A 141 -2.587 15.405 3.098 1.00 1.00 H new ATOM 2147 N VAL A 142 -2.961 20.226 -2.028 1.00 1.00 N ATOM 2148 CA VAL A 142 -3.070 19.471 -3.267 1.00 1.00 C ATOM 2149 C VAL A 142 -1.838 19.696 -4.120 1.00 1.00 C ATOM 2150 O VAL A 142 -1.253 18.752 -4.648 1.00 1.00 O ATOM 2151 CB VAL A 142 -4.341 19.847 -4.050 1.00 1.00 C ATOM 2152 CG1 VAL A 142 -5.548 19.890 -3.117 1.00 0.00 C ATOM 2153 CG2 VAL A 142 -4.269 21.142 -4.861 1.00 0.00 C ATOM 0 H VAL A 142 -3.692 20.922 -1.882 1.00 1.00 H new ATOM 0 HA VAL A 142 -3.142 18.414 -3.012 1.00 1.00 H new ATOM 0 HB VAL A 142 -4.444 19.055 -4.791 1.00 1.00 H new ATOM 0 HG11 VAL A 142 -6.438 20.157 -3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -5.690 18.911 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -5.379 20.633 -2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -5.219 21.306 -5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -4.066 21.979 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -3.470 21.065 -5.599 1.00 0.00 H new ATOM 2163 N THR A 143 -1.427 20.949 -4.238 1.00 1.00 N ATOM 2164 CA THR A 143 -0.255 21.262 -5.039 1.00 1.00 C ATOM 2165 C THR A 143 0.989 20.576 -4.495 1.00 1.00 C ATOM 2166 O THR A 143 1.807 20.057 -5.257 1.00 1.00 O ATOM 2167 CB THR A 143 -0.053 22.775 -5.077 1.00 1.00 C ATOM 2168 OG1 THR A 143 -1.178 23.370 -5.729 1.00 1.00 O ATOM 2169 CG2 THR A 143 1.146 23.136 -5.948 1.00 1.00 C ATOM 0 H THR A 143 -1.878 21.752 -3.799 1.00 1.00 H new ATOM 0 HA THR A 143 -0.420 20.890 -6.050 1.00 1.00 H new ATOM 0 HB THR A 143 0.083 23.121 -4.052 1.00 1.00 H new ATOM 0 HG1 THR A 143 -1.935 23.405 -5.108 1.00 1.00 H new ATOM 0 HG21 THR A 143 1.273 24.219 -5.962 1.00 1.00 H new ATOM 0 HG22 THR A 143 2.044 22.671 -5.542 1.00 1.00 H new ATOM 0 HG23 THR A 143 0.979 22.777 -6.964 1.00 1.00 H new ATOM 2177 N MET A 144 1.117 20.560 -3.172 1.00 1.00 N ATOM 2178 CA MET A 144 2.274 19.921 -2.542 1.00 1.00 C ATOM 2179 C MET A 144 2.309 18.429 -2.848 1.00 1.00 C ATOM 2180 O MET A 144 3.372 17.867 -3.055 1.00 1.00 O ATOM 2181 CB MET A 144 2.280 20.178 -1.023 1.00 1.00 C ATOM 2182 CG MET A 144 3.383 19.456 -0.266 1.00 1.00 C ATOM 2183 SD MET A 144 5.041 19.863 -0.845 1.00 1.00 S ATOM 2184 CE MET A 144 5.076 21.630 -0.543 1.00 1.00 C ATOM 0 H MET A 144 0.448 20.974 -2.522 1.00 1.00 H new ATOM 0 HA MET A 144 3.176 20.366 -2.962 1.00 1.00 H new ATOM 0 HB2 MET A 144 2.379 21.249 -0.849 1.00 1.00 H new ATOM 0 HB3 MET A 144 1.317 19.876 -0.612 1.00 1.00 H new ATOM 0 HG2 MET A 144 3.306 19.702 0.793 1.00 1.00 H new ATOM 0 HG3 MET A 144 3.230 18.381 -0.355 1.00 1.00 H new ATOM 0 HE1 MET A 144 6.094 22.000 -0.664 1.00 1.00 H new ATOM 0 HE2 MET A 144 4.421 22.134 -1.254 1.00 1.00 H new ATOM 0 HE3 MET A 144 4.734 21.832 0.472 1.00 1.00 H new ATOM 2194 N MET A 145 1.149 17.788 -2.894 1.00 1.00 N ATOM 2195 CA MET A 145 1.117 16.336 -3.088 1.00 1.00 C ATOM 2196 C MET A 145 0.952 15.959 -4.465 1.00 0.00 C ATOM 2197 O MET A 145 1.486 14.937 -4.902 1.00 0.00 O ATOM 2198 CB MET A 145 -0.101 15.738 -2.369 1.00 1.00 C ATOM 2199 CG MET A 145 -0.166 16.051 -0.892 1.00 1.00 C ATOM 2200 SD MET A 145 1.293 15.542 0.039 1.00 1.00 S ATOM 2201 CE MET A 145 0.797 16.118 1.671 1.00 1.00 C ATOM 0 H MET A 145 0.236 18.233 -2.803 1.00 1.00 H new ATOM 0 HA MET A 145 2.070 15.971 -2.704 1.00 1.00 H new ATOM 0 HB2 MET A 145 -1.008 16.107 -2.847 1.00 1.00 H new ATOM 0 HB3 MET A 145 -0.090 14.656 -2.499 1.00 1.00 H new ATOM 0 HG2 MET A 145 -0.307 17.124 -0.766 1.00 1.00 H new ATOM 0 HG3 MET A 145 -1.043 15.562 -0.467 1.00 1.00 H new ATOM 0 HE1 MET A 145 1.171 15.430 2.429 1.00 1.00 H new ATOM 0 HE2 MET A 145 1.210 17.111 1.847 1.00 1.00 H new ATOM 0 HE3 MET A 145 -0.291 16.162 1.726 1.00 1.00 H new ATOM 2211 N THR A 146 0.151 16.839 -5.080 1.00 1.00 N ATOM 2212 CA THR A 146 -0.137 16.475 -6.497 1.00 1.00 C ATOM 2213 C THR A 146 1.163 16.049 -7.183 1.00 1.00 C ATOM 2214 O THR A 146 1.227 15.025 -7.832 1.00 1.00 O ATOM 2215 CB THR A 146 -0.739 17.678 -7.229 1.00 1.00 C ATOM 2216 OG1 THR A 146 -2.059 17.925 -6.778 1.00 0.00 O ATOM 2217 CG2 THR A 146 -0.814 17.519 -8.738 1.00 0.00 C ATOM 0 H THR A 146 -0.264 17.691 -4.702 1.00 1.00 H new ATOM 0 HA THR A 146 -0.850 15.651 -6.523 1.00 1.00 H new ATOM 0 HB THR A 146 -0.062 18.502 -7.002 1.00 1.00 H new ATOM 0 HG1 THR A 146 -2.058 18.028 -5.803 1.00 0.00 H new ATOM 0 HG21 THR A 146 -1.252 18.415 -9.177 1.00 0.00 H new ATOM 0 HG22 THR A 146 0.189 17.372 -9.139 1.00 0.00 H new ATOM 0 HG23 THR A 146 -1.433 16.656 -8.983 1.00 0.00 H new ATOM 2225 N ALA A 147 2.201 16.864 -7.023 1.00 0.00 N ATOM 2226 CA ALA A 147 3.500 16.578 -7.623 1.00 0.00 C ATOM 2227 C ALA A 147 3.396 16.482 -9.141 1.00 0.00 C ATOM 2228 O ALA A 147 2.298 16.457 -9.698 1.00 0.00 O ATOM 2229 CB ALA A 147 4.075 15.292 -7.050 1.00 0.00 C ATOM 0 H ALA A 147 2.168 17.728 -6.483 1.00 0.00 H new ATOM 0 HA ALA A 147 4.171 17.402 -7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 147 5.044 15.091 -7.507 1.00 0.00 H new ATOM 0 HB2 ALA A 147 4.197 15.397 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 147 3.397 14.465 -7.260 1.00 0.00 H new ATOM 2235 N LYS A 148 4.545 16.430 -9.807 1.00 0.00 N ATOM 2236 CA LYS A 148 4.582 16.337 -11.261 1.00 0.00 C ATOM 2237 C LYS A 148 4.850 14.904 -11.710 1.00 0.00 C ATOM 2238 O LYS A 148 4.673 13.984 -10.884 1.00 0.00 O ATOM 2239 CB LYS A 148 5.656 17.270 -11.825 1.00 0.00 C ATOM 2240 CG LYS A 148 7.061 16.937 -11.351 1.00 0.00 C ATOM 2241 CD LYS A 148 8.087 17.893 -11.939 1.00 0.00 C ATOM 2242 CE LYS A 148 9.493 17.561 -11.467 1.00 0.00 C ATOM 2243 NZ LYS A 148 10.515 18.431 -12.111 1.00 0.00 N ATOM 2244 OXT LYS A 148 5.234 14.714 -12.883 1.00 0.00 O ATOM 0 H LYS A 148 5.463 16.451 -9.362 1.00 0.00 H new ATOM 0 HA LYS A 148 3.608 16.641 -11.644 1.00 0.00 H new ATOM 0 HB2 LYS A 148 5.629 17.226 -12.914 1.00 0.00 H new ATOM 0 HB3 LYS A 148 5.420 18.296 -11.542 1.00 0.00 H new ATOM 0 HG2 LYS A 148 7.100 16.984 -10.263 1.00 0.00 H new ATOM 0 HG3 LYS A 148 7.310 15.914 -11.635 1.00 0.00 H new ATOM 0 HD2 LYS A 148 8.047 17.847 -13.027 1.00 0.00 H new ATOM 0 HD3 LYS A 148 7.838 18.915 -11.654 1.00 0.00 H new ATOM 0 HE2 LYS A 148 9.549 17.675 -10.384 1.00 0.00 H new ATOM 0 HE3 LYS A 148 9.713 16.517 -11.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 11.460 18.173 -11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 10.479 18.303 -13.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 10.320 19.426 -11.879 1.00 0.00 H new TER 2258 LYS A 148 ATOM 2259 N LYS B 201 12.756 16.184 2.349 1.00 1.00 N ATOM 2260 CA LYS B 201 13.045 17.194 3.409 1.00 1.00 C ATOM 2261 C LYS B 201 11.767 17.424 4.247 1.00 1.00 C ATOM 2262 O LYS B 201 11.518 16.702 5.189 1.00 1.00 O ATOM 2263 CB LYS B 201 13.523 18.500 2.771 1.00 1.00 C ATOM 2264 CG LYS B 201 14.907 18.402 2.149 1.00 0.00 C ATOM 2265 CD LYS B 201 15.336 19.722 1.530 1.00 0.00 C ATOM 2266 CE LYS B 201 16.720 19.622 0.909 1.00 0.00 C ATOM 2267 NZ LYS B 201 17.107 20.878 0.209 1.00 0.00 N ATOM 0 HA LYS B 201 13.837 16.830 4.063 1.00 1.00 H new ATOM 0 HB2 LYS B 201 12.810 18.803 2.004 1.00 1.00 H new ATOM 0 HB3 LYS B 201 13.529 19.284 3.528 1.00 1.00 H new ATOM 0 HG2 LYS B 201 15.628 18.105 2.910 1.00 0.00 H new ATOM 0 HG3 LYS B 201 14.910 17.624 1.386 1.00 0.00 H new ATOM 0 HD2 LYS B 201 14.615 20.019 0.769 1.00 0.00 H new ATOM 0 HD3 LYS B 201 15.334 20.501 2.293 1.00 0.00 H new ATOM 0 HE2 LYS B 201 17.451 19.399 1.686 1.00 0.00 H new ATOM 0 HE3 LYS B 201 16.742 18.792 0.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 18.057 20.769 -0.200 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 16.424 21.077 -0.549 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 17.111 21.666 0.887 1.00 0.00 H new ATOM 2281 N ARG B 202 10.987 18.428 3.888 1.00 1.00 N ATOM 2282 CA ARG B 202 9.706 18.681 4.643 1.00 1.00 C ATOM 2283 C ARG B 202 8.535 18.328 3.731 1.00 1.00 C ATOM 2284 O ARG B 202 7.550 19.034 3.667 1.00 1.00 O ATOM 2285 CB ARG B 202 9.568 20.167 5.062 1.00 1.00 C ATOM 2286 CG ARG B 202 9.983 21.118 3.922 1.00 0.00 C ATOM 2287 CD ARG B 202 9.248 21.066 2.576 1.00 0.00 C ATOM 2288 NE ARG B 202 9.805 20.108 1.603 1.00 0.00 N ATOM 2289 CZ ARG B 202 10.946 20.289 0.894 1.00 0.00 C ATOM 2290 NH1 ARG B 202 11.760 21.331 1.109 1.00 0.00 N ATOM 2291 NH2 ARG B 202 11.287 19.397 -0.027 1.00 0.00 N ATOM 0 H ARG B 202 11.177 19.072 3.120 1.00 1.00 H new ATOM 0 HA ARG B 202 9.714 18.071 5.546 1.00 1.00 H new ATOM 0 HB2 ARG B 202 8.536 20.371 5.349 1.00 1.00 H new ATOM 0 HB3 ARG B 202 10.187 20.357 5.939 1.00 1.00 H new ATOM 0 HG2 ARG B 202 9.895 22.136 4.301 1.00 0.00 H new ATOM 0 HG3 ARG B 202 11.040 20.943 3.722 1.00 0.00 H new ATOM 0 HD2 ARG B 202 8.204 20.812 2.758 1.00 0.00 H new ATOM 0 HD3 ARG B 202 9.261 22.062 2.132 1.00 0.00 H new ATOM 0 HE ARG B 202 9.291 19.240 1.451 1.00 0.00 H new ATOM 0 HH11 ARG B 202 11.529 22.019 1.825 1.00 0.00 H new ATOM 0 HH12 ARG B 202 12.611 21.436 0.556 1.00 0.00 H new ATOM 0 HH21 ARG B 202 10.693 18.585 -0.196 1.00 0.00 H new ATOM 0 HH22 ARG B 202 12.143 19.523 -0.567 1.00 0.00 H new ATOM 2305 N ARG B 203 8.651 17.230 3.062 1.00 1.00 N ATOM 2306 CA ARG B 203 7.577 16.857 2.106 1.00 1.00 C ATOM 2307 C ARG B 203 6.400 16.195 2.811 1.00 1.00 C ATOM 2308 O ARG B 203 6.462 15.033 3.165 1.00 1.00 O ATOM 2309 CB ARG B 203 8.120 15.878 1.053 1.00 1.00 C ATOM 2310 CG ARG B 203 9.094 16.515 0.075 1.00 0.00 C ATOM 2311 CD ARG B 203 9.600 15.506 -0.943 1.00 0.00 C ATOM 2312 NE ARG B 203 10.537 16.106 -1.891 1.00 0.00 N ATOM 2313 CZ ARG B 203 11.825 16.331 -1.632 1.00 0.00 C ATOM 2314 NH1 ARG B 203 12.345 16.007 -0.453 1.00 0.00 N ATOM 2315 NH2 ARG B 203 12.597 16.881 -2.558 1.00 0.00 N ATOM 0 H ARG B 203 9.431 16.576 3.129 1.00 1.00 H new ATOM 0 HA ARG B 203 7.236 17.778 1.633 1.00 1.00 H new ATOM 0 HB2 ARG B 203 8.616 15.051 1.560 1.00 1.00 H new ATOM 0 HB3 ARG B 203 7.284 15.455 0.496 1.00 1.00 H new ATOM 0 HG2 ARG B 203 8.605 17.341 -0.442 1.00 0.00 H new ATOM 0 HG3 ARG B 203 9.938 16.936 0.622 1.00 0.00 H new ATOM 0 HD2 ARG B 203 10.088 14.681 -0.424 1.00 0.00 H new ATOM 0 HD3 ARG B 203 8.754 15.085 -1.487 1.00 0.00 H new ATOM 0 HE ARG B 203 10.182 16.370 -2.810 1.00 0.00 H new ATOM 0 HH11 ARG B 203 11.757 15.582 0.264 1.00 0.00 H new ATOM 0 HH12 ARG B 203 13.332 16.183 -0.265 1.00 0.00 H new ATOM 0 HH21 ARG B 203 12.205 17.131 -3.466 1.00 0.00 H new ATOM 0 HH22 ARG B 203 13.583 17.054 -2.363 1.00 0.00 H new ATOM 2329 N TRP B 204 5.349 16.941 3.006 1.00 1.00 N ATOM 2330 CA TRP B 204 4.145 16.328 3.625 1.00 1.00 C ATOM 2331 C TRP B 204 3.593 15.318 2.622 1.00 1.00 C ATOM 2332 O TRP B 204 2.607 14.661 2.863 1.00 1.00 O ATOM 2333 CB TRP B 204 3.086 17.402 3.874 1.00 1.00 C ATOM 2334 CG TRP B 204 3.444 18.790 4.341 1.00 0.00 C ATOM 2335 CD1 TRP B 204 4.360 19.678 3.841 1.00 0.00 C ATOM 2336 CD2 TRP B 204 2.726 19.502 5.352 1.00 0.00 C ATOM 2337 NE1 TRP B 204 4.276 20.864 4.514 1.00 0.00 N ATOM 2338 CE2 TRP B 204 3.288 20.781 5.452 1.00 0.00 C ATOM 2339 CE3 TRP B 204 1.672 19.161 6.199 1.00 0.00 C ATOM 2340 CZ2 TRP B 204 2.826 21.727 6.363 1.00 0.00 C ATOM 2341 CZ3 TRP B 204 1.211 20.099 7.102 1.00 0.00 C ATOM 2342 CH2 TRP B 204 1.789 21.369 7.178 1.00 0.00 C ATOM 0 H TRP B 204 5.272 17.930 2.768 1.00 1.00 H new ATOM 0 HA TRP B 204 4.399 15.856 4.574 1.00 1.00 H new ATOM 0 HB2 TRP B 204 2.532 17.518 2.942 1.00 1.00 H new ATOM 0 HB3 TRP B 204 2.392 16.993 4.609 1.00 1.00 H new ATOM 0 HD1 TRP B 204 5.047 19.471 3.034 1.00 0.00 H new ATOM 0 HE1 TRP B 204 4.860 21.683 4.342 1.00 0.00 H new ATOM 0 HE3 TRP B 204 1.224 18.180 6.150 1.00 0.00 H new ATOM 0 HZ2 TRP B 204 3.271 22.709 6.424 1.00 0.00 H new ATOM 0 HZ3 TRP B 204 0.392 19.847 7.759 1.00 0.00 H new ATOM 0 HH2 TRP B 204 1.409 22.082 7.895 1.00 0.00 H new ATOM 2353 N LYS B 205 4.262 15.245 1.495 1.00 1.00 N ATOM 2354 CA LYS B 205 3.832 14.324 0.418 1.00 1.00 C ATOM 2355 C LYS B 205 3.958 12.851 0.839 1.00 1.00 C ATOM 2356 O LYS B 205 2.967 12.195 1.015 1.00 1.00 O ATOM 2357 CB LYS B 205 4.687 14.585 -0.825 1.00 1.00 C ATOM 2358 CG LYS B 205 4.782 16.042 -1.246 1.00 0.00 C ATOM 2359 CD LYS B 205 5.552 16.176 -2.554 1.00 0.00 C ATOM 2360 CE LYS B 205 6.432 17.416 -2.570 1.00 0.00 C ATOM 2361 NZ LYS B 205 5.862 18.497 -3.421 1.00 0.00 N ATOM 0 H LYS B 205 5.095 15.794 1.282 1.00 1.00 H new ATOM 0 HA LYS B 205 2.780 14.512 0.204 1.00 1.00 H new ATOM 0 HB2 LYS B 205 5.694 14.210 -0.640 1.00 1.00 H new ATOM 0 HB3 LYS B 205 4.279 14.009 -1.655 1.00 1.00 H new ATOM 0 HG2 LYS B 205 3.781 16.458 -1.363 1.00 0.00 H new ATOM 0 HG3 LYS B 205 5.278 16.620 -0.466 1.00 0.00 H new ATOM 0 HD2 LYS B 205 6.170 15.291 -2.704 1.00 0.00 H new ATOM 0 HD3 LYS B 205 4.849 16.219 -3.386 1.00 0.00 H new ATOM 0 HE2 LYS B 205 6.557 17.785 -1.552 1.00 0.00 H new ATOM 0 HE3 LYS B 205 7.424 17.151 -2.937 1.00 0.00 H new ATOM 0 HZ1 LYS B 205 6.500 18.682 -4.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 205 4.932 18.201 -3.781 1.00 0.00 H new ATOM 0 HZ3 LYS B 205 5.755 19.364 -2.856 1.00 0.00 H new ATOM 2375 N LYS B 206 5.166 12.354 0.994 1.00 1.00 N ATOM 2376 CA LYS B 206 5.289 10.909 1.376 1.00 1.00 C ATOM 2377 C LYS B 206 4.318 10.588 2.501 1.00 1.00 C ATOM 2378 O LYS B 206 3.755 9.514 2.557 1.00 1.00 O ATOM 2379 CB LYS B 206 6.710 10.568 1.841 1.00 1.00 C ATOM 2380 CG LYS B 206 7.707 11.725 1.917 1.00 0.00 C ATOM 2381 CD LYS B 206 9.089 11.243 2.328 1.00 0.00 C ATOM 2382 CE LYS B 206 9.351 11.492 3.805 1.00 0.00 C ATOM 2383 NZ LYS B 206 8.358 10.802 4.672 1.00 0.00 N ATOM 0 H LYS B 206 6.041 12.864 0.878 1.00 1.00 H new ATOM 0 HA LYS B 206 5.058 10.315 0.492 1.00 1.00 H new ATOM 0 HB2 LYS B 206 6.644 10.111 2.828 1.00 1.00 H new ATOM 0 HB3 LYS B 206 7.116 9.813 1.167 1.00 1.00 H new ATOM 0 HG2 LYS B 206 7.766 12.220 0.948 1.00 0.00 H new ATOM 0 HG3 LYS B 206 7.352 12.467 2.632 1.00 0.00 H new ATOM 0 HD2 LYS B 206 9.182 10.178 2.116 1.00 0.00 H new ATOM 0 HD3 LYS B 206 9.845 11.754 1.732 1.00 0.00 H new ATOM 0 HE2 LYS B 206 10.354 11.148 4.058 1.00 0.00 H new ATOM 0 HE3 LYS B 206 9.322 12.564 4.003 1.00 0.00 H new ATOM 0 HZ1 LYS B 206 8.640 10.899 5.668 1.00 0.00 H new ATOM 0 HZ2 LYS B 206 7.420 11.230 4.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 206 8.318 9.794 4.420 1.00 0.00 H new ATOM 2397 N ASN B 207 4.143 11.530 3.366 1.00 1.00 N ATOM 2398 CA ASN B 207 3.203 11.317 4.501 1.00 1.00 C ATOM 2399 C ASN B 207 1.764 11.329 3.982 1.00 1.00 C ATOM 2400 O ASN B 207 0.977 10.461 4.296 1.00 1.00 O ATOM 2401 CB ASN B 207 3.388 12.441 5.519 1.00 1.00 C ATOM 2402 CG ASN B 207 3.056 12.008 6.932 1.00 0.00 C ATOM 2403 OD1 ASN B 207 1.982 11.465 7.193 1.00 0.00 O ATOM 2404 ND2 ASN B 207 3.983 12.247 7.853 1.00 0.00 N ATOM 0 H ASN B 207 4.605 12.439 3.344 1.00 1.00 H new ATOM 0 HA ASN B 207 3.407 10.356 4.973 1.00 1.00 H new ATOM 0 HB2 ASN B 207 4.419 12.792 5.483 1.00 1.00 H new ATOM 0 HB3 ASN B 207 2.755 13.284 5.243 1.00 1.00 H new ATOM 0 HD21 ASN B 207 3.819 11.978 8.823 1.00 0.00 H new ATOM 0 HD22 ASN B 207 4.858 12.700 7.590 1.00 0.00 H new ATOM 2411 N PHE B 208 1.463 12.318 3.191 1.00 1.00 N ATOM 2412 CA PHE B 208 0.096 12.426 2.629 1.00 1.00 C ATOM 2413 C PHE B 208 -0.151 11.288 1.639 1.00 1.00 C ATOM 2414 O PHE B 208 -1.083 10.527 1.780 1.00 1.00 O ATOM 2415 CB PHE B 208 -0.034 13.763 1.909 1.00 1.00 C ATOM 2416 CG PHE B 208 -1.029 13.609 0.812 1.00 0.00 C ATOM 2417 CD1 PHE B 208 -2.317 13.716 1.129 1.00 0.00 C ATOM 2418 CD2 PHE B 208 -0.672 13.226 -0.483 1.00 0.00 C ATOM 2419 CE1 PHE B 208 -3.275 13.462 0.227 1.00 0.00 C ATOM 2420 CE2 PHE B 208 -1.633 12.986 -1.422 1.00 0.00 C ATOM 2421 CZ PHE B 208 -2.947 13.096 -1.060 1.00 0.00 C ATOM 0 H PHE B 208 2.108 13.057 2.910 1.00 1.00 H new ATOM 0 HA PHE B 208 -0.637 12.361 3.433 1.00 1.00 H new ATOM 0 HB2 PHE B 208 -0.353 14.539 2.605 1.00 1.00 H new ATOM 0 HB3 PHE B 208 0.930 14.073 1.506 1.00 1.00 H new ATOM 0 HD1 PHE B 208 -2.595 14.012 2.130 1.00 0.00 H new ATOM 0 HD2 PHE B 208 0.371 13.119 -0.743 1.00 0.00 H new ATOM 0 HE1 PHE B 208 -4.314 13.545 0.512 1.00 0.00 H new ATOM 0 HE2 PHE B 208 -1.361 12.714 -2.431 1.00 0.00 H new ATOM 0 HZ PHE B 208 -3.726 12.896 -1.781 1.00 0.00 H new ATOM 2431 N ILE B 209 0.698 11.207 0.658 1.00 1.00 N ATOM 2432 CA ILE B 209 0.566 10.137 -0.352 1.00 1.00 C ATOM 2433 C ILE B 209 0.362 8.810 0.350 1.00 1.00 C ATOM 2434 O ILE B 209 -0.583 8.097 0.087 1.00 1.00 O ATOM 2435 CB ILE B 209 1.853 10.094 -1.168 1.00 1.00 C ATOM 2436 CG1 ILE B 209 2.342 11.478 -1.648 1.00 0.00 C ATOM 2437 CG2 ILE B 209 1.498 9.327 -2.443 1.00 0.00 C ATOM 2438 CD1 ILE B 209 3.801 11.481 -2.053 1.00 0.00 C ATOM 0 H ILE B 209 1.482 11.843 0.515 1.00 1.00 H new ATOM 0 HA ILE B 209 -0.286 10.329 -1.004 1.00 1.00 H new ATOM 0 HB ILE B 209 2.633 9.660 -0.543 1.00 1.00 H new ATOM 0 HG12 ILE B 209 1.735 11.798 -2.495 1.00 0.00 H new ATOM 0 HG13 ILE B 209 2.190 12.207 -0.852 1.00 0.00 H new ATOM 0 HG21 ILE B 209 2.378 9.256 -3.082 1.00 0.00 H new ATOM 0 HG22 ILE B 209 1.157 8.325 -2.182 1.00 0.00 H new ATOM 0 HG23 ILE B 209 0.705 9.853 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE B 209 4.086 12.481 -2.381 1.00 0.00 H new ATOM 0 HD12 ILE B 209 4.416 11.190 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE B 209 3.954 10.775 -2.869 1.00 0.00 H new ATOM 2450 N ALA B 210 1.263 8.505 1.229 1.00 1.00 N ATOM 2451 CA ALA B 210 1.150 7.218 1.951 1.00 1.00 C ATOM 2452 C ALA B 210 -0.278 7.051 2.473 1.00 1.00 C ATOM 2453 O ALA B 210 -0.958 6.096 2.149 1.00 1.00 O ATOM 2454 CB ALA B 210 2.137 7.200 3.119 1.00 1.00 C ATOM 0 H ALA B 210 2.065 9.084 1.478 1.00 1.00 H new ATOM 0 HA ALA B 210 1.383 6.396 1.274 1.00 1.00 H new ATOM 0 HB1 ALA B 210 2.054 6.252 3.651 1.00 1.00 H new ATOM 0 HB2 ALA B 210 3.152 7.315 2.739 1.00 1.00 H new ATOM 0 HB3 ALA B 210 1.909 8.020 3.800 1.00 1.00 H new ATOM 2460 N VAL B 211 -0.700 7.986 3.274 1.00 1.00 N ATOM 2461 CA VAL B 211 -2.080 7.906 3.802 1.00 1.00 C ATOM 2462 C VAL B 211 -3.058 7.853 2.637 1.00 1.00 C ATOM 2463 O VAL B 211 -4.108 7.269 2.739 1.00 1.00 O ATOM 2464 CB VAL B 211 -2.361 9.135 4.653 1.00 1.00 C ATOM 2465 CG1 VAL B 211 -1.309 9.276 5.745 1.00 0.00 C ATOM 2466 CG2 VAL B 211 -2.523 10.446 3.914 1.00 0.00 C ATOM 0 H VAL B 211 -0.154 8.791 3.581 1.00 1.00 H new ATOM 0 HA VAL B 211 -2.194 7.010 4.412 1.00 1.00 H new ATOM 0 HB VAL B 211 -3.346 8.942 5.077 1.00 1.00 H new ATOM 0 HG11 VAL B 211 -1.524 10.160 6.345 1.00 0.00 H new ATOM 0 HG12 VAL B 211 -1.325 8.392 6.382 1.00 0.00 H new ATOM 0 HG13 VAL B 211 -0.324 9.377 5.290 1.00 0.00 H new ATOM 0 HG21 VAL B 211 -2.719 11.245 4.629 1.00 0.00 H new ATOM 0 HG22 VAL B 211 -1.609 10.668 3.363 1.00 0.00 H new ATOM 0 HG23 VAL B 211 -3.357 10.370 3.217 1.00 0.00 H new ATOM 2476 N SER B 212 -2.688 8.471 1.549 1.00 1.00 N ATOM 2477 CA SER B 212 -3.588 8.455 0.364 1.00 1.00 C ATOM 2478 C SER B 212 -3.771 7.018 -0.121 1.00 1.00 C ATOM 2479 O SER B 212 -4.854 6.625 -0.499 1.00 1.00 O ATOM 2480 CB SER B 212 -2.982 9.306 -0.750 1.00 1.00 C ATOM 2481 OG SER B 212 -3.904 10.282 -1.202 1.00 0.00 O ATOM 0 H SER B 212 -1.812 8.980 1.430 1.00 1.00 H new ATOM 0 HA SER B 212 -4.559 8.866 0.640 1.00 1.00 H new ATOM 0 HB2 SER B 212 -2.078 9.795 -0.388 1.00 1.00 H new ATOM 0 HB3 SER B 212 -2.687 8.666 -1.582 1.00 1.00 H new ATOM 0 HG SER B 212 -3.598 11.172 -0.930 1.00 0.00 H new ATOM 2487 N ALA B 213 -2.708 6.255 -0.097 1.00 1.00 N ATOM 2488 CA ALA B 213 -2.825 4.845 -0.543 1.00 1.00 C ATOM 2489 C ALA B 213 -3.851 4.138 0.323 1.00 1.00 C ATOM 2490 O ALA B 213 -4.843 3.647 -0.165 1.00 1.00 O ATOM 2491 CB ALA B 213 -1.472 4.140 -0.410 1.00 1.00 C ATOM 0 H ALA B 213 -1.779 6.547 0.208 1.00 1.00 H new ATOM 0 HA ALA B 213 -3.137 4.819 -1.587 1.00 1.00 H new ATOM 0 HB1 ALA B 213 -1.567 3.105 -0.740 1.00 1.00 H new ATOM 0 HB2 ALA B 213 -0.733 4.651 -1.027 1.00 1.00 H new ATOM 0 HB3 ALA B 213 -1.152 4.161 0.632 1.00 1.00 H new ATOM 2497 N ALA B 214 -3.616 4.142 1.601 1.00 1.00 N ATOM 2498 CA ALA B 214 -4.567 3.440 2.511 1.00 1.00 C ATOM 2499 C ALA B 214 -5.960 4.088 2.444 1.00 1.00 C ATOM 2500 O ALA B 214 -6.956 3.408 2.284 1.00 1.00 O ATOM 2501 CB ALA B 214 -4.033 3.507 3.933 1.00 1.00 C ATOM 0 H ALA B 214 -2.821 4.592 2.054 1.00 1.00 H new ATOM 0 HA ALA B 214 -4.659 2.400 2.198 1.00 1.00 H new ATOM 0 HB1 ALA B 214 -4.722 2.996 4.605 1.00 1.00 H new ATOM 0 HB2 ALA B 214 -3.057 3.024 3.978 1.00 1.00 H new ATOM 0 HB3 ALA B 214 -3.936 4.549 4.237 1.00 1.00 H new ATOM 2507 N ASN B 215 -6.001 5.386 2.563 1.00 1.00 N ATOM 2508 CA ASN B 215 -7.319 6.086 2.504 1.00 1.00 C ATOM 2509 C ASN B 215 -8.063 5.683 1.234 1.00 1.00 C ATOM 2510 O ASN B 215 -9.264 5.499 1.243 1.00 1.00 O ATOM 2511 CB ASN B 215 -7.090 7.597 2.495 1.00 1.00 C ATOM 2512 CG ASN B 215 -8.114 8.498 1.879 1.00 0.00 C ATOM 2513 OD1 ASN B 215 -7.774 9.630 1.608 1.00 0.00 O ATOM 2514 ND2 ASN B 215 -9.352 8.073 1.705 1.00 0.00 N ATOM 0 H ASN B 215 -5.189 5.989 2.697 1.00 1.00 H new ATOM 0 HA ASN B 215 -7.913 5.807 3.374 1.00 1.00 H new ATOM 0 HB2 ASN B 215 -6.959 7.913 3.530 1.00 1.00 H new ATOM 0 HB3 ASN B 215 -6.145 7.780 1.984 1.00 1.00 H new ATOM 0 HD21 ASN B 215 -10.060 8.705 1.331 1.00 0.00 H new ATOM 0 HD22 ASN B 215 -9.600 7.113 1.945 1.00 0.00 H new ATOM 2521 N ARG B 216 -7.329 5.552 0.166 1.00 1.00 N ATOM 2522 CA ARG B 216 -7.974 5.164 -1.118 1.00 1.00 C ATOM 2523 C ARG B 216 -8.497 3.730 -1.030 1.00 1.00 C ATOM 2524 O ARG B 216 -9.520 3.406 -1.601 1.00 1.00 O ATOM 2525 CB ARG B 216 -6.952 5.258 -2.249 1.00 1.00 C ATOM 2526 CG ARG B 216 -7.366 4.584 -3.554 1.00 0.00 C ATOM 2527 CD ARG B 216 -8.713 5.092 -4.041 1.00 0.00 C ATOM 2528 NE ARG B 216 -8.700 6.532 -4.288 1.00 0.00 N ATOM 2529 CZ ARG B 216 -9.792 7.258 -4.529 1.00 0.00 C ATOM 2530 NH1 ARG B 216 -10.992 6.687 -4.557 1.00 0.00 N ATOM 2531 NH2 ARG B 216 -9.684 8.562 -4.741 1.00 0.00 N ATOM 0 H ARG B 216 -6.320 5.695 0.125 1.00 1.00 H new ATOM 0 HA ARG B 216 -8.807 5.839 -1.315 1.00 1.00 H new ATOM 0 HB2 ARG B 216 -6.751 6.310 -2.450 1.00 1.00 H new ATOM 0 HB3 ARG B 216 -6.016 4.814 -1.910 1.00 1.00 H new ATOM 0 HG2 ARG B 216 -6.609 4.769 -4.316 1.00 0.00 H new ATOM 0 HG3 ARG B 216 -7.414 3.505 -3.408 1.00 0.00 H new ATOM 0 HD2 ARG B 216 -8.987 4.570 -4.958 1.00 0.00 H new ATOM 0 HD3 ARG B 216 -9.478 4.858 -3.300 1.00 0.00 H new ATOM 0 HE ARG B 216 -7.800 7.012 -4.275 1.00 0.00 H new ATOM 0 HH11 ARG B 216 -11.084 5.684 -4.393 1.00 0.00 H new ATOM 0 HH12 ARG B 216 -11.821 7.251 -4.742 1.00 0.00 H new ATOM 0 HH21 ARG B 216 -8.767 9.008 -4.720 1.00 0.00 H new ATOM 0 HH22 ARG B 216 -10.518 9.119 -4.926 1.00 0.00 H new ATOM 2545 N PHE B 217 -7.789 2.896 -0.315 1.00 1.00 N ATOM 2546 CA PHE B 217 -8.243 1.485 -0.209 1.00 1.00 C ATOM 2547 C PHE B 217 -9.458 1.376 0.686 1.00 1.00 C ATOM 2548 O PHE B 217 -10.142 0.371 0.692 1.00 1.00 O ATOM 2549 CB PHE B 217 -7.102 0.615 0.290 1.00 1.00 C ATOM 2550 CG PHE B 217 -6.880 -0.562 -0.581 1.00 0.00 C ATOM 2551 CD1 PHE B 217 -7.937 -1.384 -0.903 1.00 0.00 C ATOM 2552 CD2 PHE B 217 -5.633 -0.827 -1.101 1.00 0.00 C ATOM 2553 CE1 PHE B 217 -7.761 -2.455 -1.729 1.00 0.00 C ATOM 2554 CE2 PHE B 217 -5.440 -1.903 -1.929 1.00 0.00 C ATOM 2555 CZ PHE B 217 -6.510 -2.724 -2.248 1.00 0.00 C ATOM 0 H PHE B 217 -6.933 3.127 0.190 1.00 1.00 H new ATOM 0 HA PHE B 217 -8.538 1.130 -1.197 1.00 1.00 H new ATOM 0 HB2 PHE B 217 -6.189 1.208 0.338 1.00 1.00 H new ATOM 0 HB3 PHE B 217 -7.318 0.280 1.304 1.00 1.00 H new ATOM 0 HD1 PHE B 217 -8.916 -1.178 -0.497 1.00 0.00 H new ATOM 0 HD2 PHE B 217 -4.801 -0.183 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE B 217 -8.598 -3.091 -1.977 1.00 0.00 H new ATOM 0 HE2 PHE B 217 -4.459 -2.110 -2.331 1.00 0.00 H new ATOM 0 HZ PHE B 217 -6.366 -3.572 -2.901 1.00 0.00 H new ATOM 2565 N LYS B 218 -9.713 2.408 1.421 1.00 1.00 N ATOM 2566 CA LYS B 218 -10.903 2.389 2.286 1.00 1.00 C ATOM 2567 C LYS B 218 -12.113 2.878 1.487 1.00 1.00 C ATOM 2568 O LYS B 218 -13.221 2.420 1.684 1.00 1.00 O ATOM 2569 CB LYS B 218 -10.683 3.309 3.477 1.00 1.00 C ATOM 2570 CG LYS B 218 -11.882 3.299 4.414 1.00 0.00 C ATOM 2571 CD LYS B 218 -11.812 4.373 5.480 1.00 0.00 C ATOM 2572 CE LYS B 218 -13.147 4.502 6.207 1.00 0.00 C ATOM 2573 NZ LYS B 218 -13.098 3.932 7.584 1.00 0.00 N ATOM 0 H LYS B 218 -9.151 3.259 1.459 1.00 1.00 H new ATOM 0 HA LYS B 218 -11.079 1.373 2.640 1.00 1.00 H new ATOM 0 HB2 LYS B 218 -9.792 2.996 4.021 1.00 1.00 H new ATOM 0 HB3 LYS B 218 -10.502 4.325 3.126 1.00 1.00 H new ATOM 0 HG2 LYS B 218 -12.793 3.434 3.830 1.00 0.00 H new ATOM 0 HG3 LYS B 218 -11.952 2.323 4.894 1.00 0.00 H new ATOM 0 HD2 LYS B 218 -11.025 4.132 6.195 1.00 0.00 H new ATOM 0 HD3 LYS B 218 -11.547 5.327 5.025 1.00 0.00 H new ATOM 0 HE2 LYS B 218 -13.429 5.554 6.261 1.00 0.00 H new ATOM 0 HE3 LYS B 218 -13.922 3.994 5.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 -14.055 3.651 7.878 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 -12.474 3.100 7.593 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 -12.730 4.648 8.243 1.00 0.00 H new ATOM 2587 N LYS B 219 -11.867 3.800 0.593 1.00 1.00 N ATOM 2588 CA LYS B 219 -12.977 4.344 -0.222 1.00 1.00 C ATOM 2589 C LYS B 219 -13.221 3.488 -1.463 1.00 1.00 C ATOM 2590 O LYS B 219 -14.307 3.490 -2.009 1.00 1.00 O ATOM 2591 CB LYS B 219 -12.638 5.771 -0.647 1.00 1.00 C ATOM 2592 CG LYS B 219 -13.066 6.820 0.364 1.00 0.00 C ATOM 2593 CD LYS B 219 -14.581 6.941 0.417 1.00 0.00 C ATOM 2594 CE LYS B 219 -15.023 8.043 1.365 1.00 0.00 C ATOM 2595 NZ LYS B 219 -16.500 8.230 1.347 1.00 0.00 N ATOM 0 H LYS B 219 -10.947 4.194 0.397 1.00 1.00 H new ATOM 0 HA LYS B 219 -13.884 4.337 0.382 1.00 1.00 H new ATOM 0 HB2 LYS B 219 -11.563 5.849 -0.807 1.00 1.00 H new ATOM 0 HB3 LYS B 219 -13.118 5.981 -1.603 1.00 1.00 H new ATOM 0 HG2 LYS B 219 -12.684 6.557 1.350 1.00 0.00 H new ATOM 0 HG3 LYS B 219 -12.630 7.783 0.100 1.00 0.00 H new ATOM 0 HD2 LYS B 219 -14.965 7.145 -0.583 1.00 0.00 H new ATOM 0 HD3 LYS B 219 -15.011 5.992 0.736 1.00 0.00 H new ATOM 0 HE2 LYS B 219 -14.700 7.802 2.378 1.00 0.00 H new ATOM 0 HE3 LYS B 219 -14.535 8.978 1.088 1.00 0.00 H new ATOM 0 HZ1 LYS B 219 -16.762 8.990 2.007 1.00 0.00 H new ATOM 0 HZ2 LYS B 219 -16.806 8.485 0.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 219 -16.965 7.346 1.636 1.00 0.00 H new ATOM 2609 N ILE B 220 -12.218 2.777 -1.889 1.00 1.00 N ATOM 2610 CA ILE B 220 -12.401 1.923 -3.092 1.00 1.00 C ATOM 2611 C ILE B 220 -13.693 1.122 -2.932 1.00 1.00 C ATOM 2612 O ILE B 220 -14.363 0.815 -3.899 1.00 1.00 O ATOM 2613 CB ILE B 220 -11.179 0.996 -3.255 1.00 1.00 C ATOM 2614 CG1 ILE B 220 -10.043 1.746 -3.952 1.00 0.00 C ATOM 2615 CG2 ILE B 220 -11.503 -0.276 -4.045 1.00 0.00 C ATOM 2616 CD1 ILE B 220 -8.683 1.120 -3.736 1.00 0.00 C ATOM 0 H ILE B 220 -11.291 2.749 -1.464 1.00 1.00 H new ATOM 0 HA ILE B 220 -12.479 2.535 -3.991 1.00 1.00 H new ATOM 0 HB ILE B 220 -10.877 0.694 -2.252 1.00 1.00 H new ATOM 0 HG12 ILE B 220 -10.249 1.788 -5.022 1.00 0.00 H new ATOM 0 HG13 ILE B 220 -10.022 2.774 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE B 220 -10.607 -0.891 -4.129 1.00 0.00 H new ATOM 0 HG22 ILE B 220 -12.281 -0.837 -3.528 1.00 0.00 H new ATOM 0 HG23 ILE B 220 -11.852 -0.006 -5.042 1.00 0.00 H new ATOM 0 HD11 ILE B 220 -7.926 1.705 -4.259 1.00 0.00 H new ATOM 0 HD12 ILE B 220 -8.456 1.103 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE B 220 -8.686 0.101 -4.123 1.00 0.00 H new ATOM 2628 N SER B 221 -14.017 0.799 -1.709 1.00 1.00 N ATOM 2629 CA SER B 221 -15.272 0.044 -1.467 1.00 1.00 C ATOM 2630 C SER B 221 -16.443 0.811 -2.097 1.00 1.00 C ATOM 2631 O SER B 221 -17.042 1.663 -1.472 1.00 1.00 O ATOM 2632 CB SER B 221 -15.491 -0.096 0.040 1.00 1.00 C ATOM 2633 OG SER B 221 -15.798 1.155 0.630 1.00 0.00 O ATOM 0 H SER B 221 -13.471 1.024 -0.877 1.00 1.00 H new ATOM 0 HA SER B 221 -15.206 -0.948 -1.913 1.00 1.00 H new ATOM 0 HB2 SER B 221 -16.302 -0.799 0.229 1.00 1.00 H new ATOM 0 HB3 SER B 221 -14.596 -0.510 0.504 1.00 1.00 H new ATOM 0 HG SER B 221 -16.604 1.524 0.213 1.00 0.00 H new ATOM 2639 N SER B 222 -16.735 0.490 -3.325 1.00 1.00 N ATOM 2640 CA SER B 222 -17.838 1.203 -4.037 1.00 1.00 C ATOM 2641 C SER B 222 -19.157 1.129 -3.258 1.00 1.00 C ATOM 2642 O SER B 222 -19.948 0.234 -3.468 1.00 1.00 O ATOM 2643 CB SER B 222 -18.027 0.578 -5.415 1.00 1.00 C ATOM 2644 OG SER B 222 -16.823 0.612 -6.161 1.00 0.00 O ATOM 0 H SER B 222 -16.261 -0.232 -3.868 1.00 1.00 H new ATOM 0 HA SER B 222 -17.562 2.254 -4.128 1.00 1.00 H new ATOM 0 HB2 SER B 222 -18.362 -0.454 -5.307 1.00 1.00 H new ATOM 0 HB3 SER B 222 -18.808 1.112 -5.956 1.00 1.00 H new ATOM 0 HG SER B 222 -16.971 0.204 -7.040 1.00 0.00 H new ATOM 2650 N SER B 223 -19.348 2.092 -2.379 1.00 1.00 N ATOM 2651 CA SER B 223 -20.613 2.167 -1.555 1.00 1.00 C ATOM 2652 C SER B 223 -21.289 0.799 -1.376 1.00 1.00 C ATOM 2653 O SER B 223 -21.950 0.310 -2.268 1.00 1.00 O ATOM 2654 CB SER B 223 -21.593 3.112 -2.248 1.00 1.00 C ATOM 2655 OG SER B 223 -21.367 4.456 -1.860 1.00 0.00 O ATOM 0 H SER B 223 -18.677 2.838 -2.193 1.00 1.00 H new ATOM 0 HA SER B 223 -20.338 2.528 -0.564 1.00 1.00 H new ATOM 0 HB2 SER B 223 -21.489 3.020 -3.329 1.00 1.00 H new ATOM 0 HB3 SER B 223 -22.615 2.826 -2.001 1.00 1.00 H new ATOM 0 HG SER B 223 -22.006 5.041 -2.319 1.00 0.00 H new ATOM 2661 N GLY B 224 -21.123 0.224 -0.218 1.00 1.00 N ATOM 2662 CA GLY B 224 -21.772 -1.093 0.037 1.00 1.00 C ATOM 2663 C GLY B 224 -23.257 -0.883 0.329 1.00 1.00 C ATOM 2664 O GLY B 224 -23.871 -1.667 1.024 1.00 1.00 O ATOM 0 H GLY B 224 -20.574 0.602 0.554 1.00 1.00 H new ATOM 0 HA2 GLY B 224 -21.649 -1.744 -0.829 1.00 1.00 H new ATOM 0 HA3 GLY B 224 -21.292 -1.590 0.880 1.00 1.00 H new ATOM 2668 N ALA B 225 -23.795 0.186 -0.217 1.00 1.00 N ATOM 2669 CA ALA B 225 -25.249 0.507 0.001 1.00 1.00 C ATOM 2670 C ALA B 225 -26.096 -0.769 0.066 1.00 1.00 C ATOM 2671 O ALA B 225 -27.018 -0.854 0.850 1.00 1.00 O ATOM 2672 CB ALA B 225 -25.732 1.382 -1.154 1.00 1.00 C ATOM 0 H ALA B 225 -23.291 0.851 -0.804 1.00 1.00 H new ATOM 0 HA ALA B 225 -25.357 1.030 0.951 1.00 1.00 H new ATOM 0 HB1 ALA B 225 -26.785 1.624 -1.011 1.00 1.00 H new ATOM 0 HB2 ALA B 225 -25.149 2.302 -1.182 1.00 1.00 H new ATOM 0 HB3 ALA B 225 -25.607 0.845 -2.094 1.00 1.00 H new ATOM 2678 N LEU B 226 -25.762 -1.725 -0.762 1.00 1.00 N ATOM 2679 CA LEU B 226 -26.527 -3.012 -0.763 1.00 1.00 C ATOM 2680 C LEU B 226 -25.553 -4.194 -0.704 1.00 1.00 C ATOM 2681 O LEU B 226 -24.983 -4.543 -1.759 1.00 0.00 O ATOM 2682 CB LEU B 226 -27.370 -3.111 -2.041 1.00 1.00 C ATOM 2683 CG LEU B 226 -28.740 -2.434 -1.963 1.00 0.00 C ATOM 2684 CD1 LEU B 226 -28.585 -0.921 -1.921 1.00 0.00 C ATOM 2685 CD2 LEU B 226 -29.608 -2.849 -3.140 1.00 0.00 C ATOM 2686 OXT LEU B 226 -25.372 -4.756 0.397 1.00 0.00 O ATOM 0 H LEU B 226 -24.997 -1.673 -1.435 1.00 1.00 H new ATOM 0 HA LEU B 226 -27.182 -3.038 0.108 1.00 1.00 H new ATOM 0 HB2 LEU B 226 -26.809 -2.669 -2.864 1.00 1.00 H new ATOM 0 HB3 LEU B 226 -27.514 -4.164 -2.283 1.00 1.00 H new ATOM 0 HG LEU B 226 -29.231 -2.755 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU B 226 -29.569 -0.456 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU B 226 -28.001 -0.639 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU B 226 -28.074 -0.582 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU B 226 -30.578 -2.358 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU B 226 -29.122 -2.557 -4.071 1.00 0.00 H new ATOM 0 HD23 LEU B 226 -29.747 -3.930 -3.126 1.00 0.00 H new TER 2698 LEU B 226 HETATM 2699 CA CA A 201 1.721 -9.724 -1.990 1.00 0.00 CA HETATM 2700 CA CA A 202 6.972 -3.457 6.265 1.00 0.00 CA HETATM 2701 CA CA A 203 -6.956 23.598 11.213 1.00 0.00 CA HETATM 2702 CA CA A 204 -1.318 29.502 2.889 1.00 0.00 CA CONECT 307 2700 CONECT 341 2700 CONECT 360 2700 CONECT 376 2700 CONECT 463 2700 CONECT 464 2700 CONECT 839 2699 CONECT 861 2699 CONECT 880 2699 CONECT 898 2699 CONECT 981 2699 CONECT 982 2699 CONECT 1419 2701 CONECT 1453 2701 CONECT 1472 2701 CONECT 1490 2701 CONECT 1564 2701 CONECT 1565 2701 CONECT 1966 2702 CONECT 1997 2702 CONECT 2016 2702 CONECT 2032 2702 CONECT 2119 2702 CONECT 2120 2702 CONECT 2699 839 861 880 898 CONECT 2699 981 982 CONECT 2700 307 341 360 376 CONECT 2700 463 464 CONECT 2701 1419 1453 1472 1490 CONECT 2701 1564 1565 CONECT 2702 1966 1997 2016 2032 CONECT 2702 2119 2120 END