USER MOD reduce.3.24.130724 H: found=0, std=0, add=1293, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1284 hydrogens (36 hets) HEADER HYDROLASE/HYDROLASE INHIBITOR 31-OCT-95 1UMT TITLE STROMELYSIN-1 CATALYTIC DOMAIN WITH HYDROPHOBIC INHIBITOR BOUND, PH TITLE 2 7.0, 32OC, 20 MM CACL2, 15% ACETONITRILE; NMR AVERAGE OF 20 TITLE 3 STRUCTURES MINIMIZED WITH RESTRAINTS COMPND MOL_ID: 1; COMPND 2 MOLECULE: STROMELYSIN-1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CATALYTIC DOMAIN RESIDUES 83 - 256; COMPND 5 SYNONYM: MATRIX METALLOPROTEINASE-3, MMP-3; COMPND 6 EC: 3.4.24.17; COMPND 7 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: HUMAN STROMELYSIN-1 CATALYTIC; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PGEMEX-D; SOURCE 9 EXPRESSION_SYSTEM_GENE: HUMAN STROMELYSIN-1 CATALYTIC DOMAIN; SOURCE 0 OTHER_DETAILS: INDUCTION BY M13 WITH T7 RNA POLYMERASE KEYWDS ZINC HYDROLASE, METZINCIN, MATRIX METALLOPROTEINASE, HYDROLASE- KEYWDS 2 HYDROLASE INHIBITOR COMPLEX EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR S.R.VAN DOREN,A.V.KUROCHKIN,W.HU,E.R.P.ZUIDERWEG REVDAT 4 13-JUL-11 1UMT 1 VERSN REVDAT 3 24-FEB-09 1UMT 1 VERSN REVDAT 2 15-FEB-05 1UMT 1 JRNL HET REVDAT 1 08-MAR-96 1UMT 0 JRNL AUTH S.R.VAN DOREN,A.V.KUROCHKIN,W.HU,Q.Z.YE,L.L.JOHNSON, JRNL AUTH 2 D.J.HUPE,E.R.ZUIDERWEG JRNL TITL SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN JRNL TITL 2 STROMELYSIN COMPLEXED WITH A HYDROPHOBIC INHIBITOR. JRNL REF PROTEIN SCI. V. 4 2487 1995 JRNL REFN ISSN 0961-8368 JRNL PMID 8580839 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.R.VAN DOREN,A.V.KUROCHKIN,Q.-Z.YE,L.L.JOHNSON,D.J.HUPE, REMARK 1 AUTH 2 E.R.P.ZUIDERWEG REMARK 1 TITL ASSIGNMENTS FOR THE MAIN-CHAIN NUCLEAR MAGNETIC RESONANCES REMARK 1 TITL 2 AND DELINEATION OF THE SECONDARY STRUCTURE OF THE CATALYTIC REMARK 1 TITL 3 DOMAIN OF HUMAN STROMELYSIN-1 AS OBTAINED FROM REMARK 1 TITL 4 TRIPLE-RESONANCE 3D NMR EXPERIMENTS REMARK 1 REF BIOCHEMISTRY V. 32 13109 1993 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER REMARK 3 AUTHORS : BIOSYM REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 DISTANCE GEOMETRY (DGII INTERFACED TO INSIGHTII) FOLLOWED REMARK 3 BY OPTIMIZATION USING SIMULATED ANNEALING WITHOUT A REMARK 3 PHYSICAL FORCEFIELD WAS USED TO GENERATE 39 STARTING REMARK 3 STRUCTURES. THESE 39 STRUCTURES WERE FURTHER REFINED BY REMARK 3 RESTRAINED MOLECULAR DYNAMICS AND RESTRAINED MINIMIZATION REMARK 3 USING DISCOVER AND THE AMBER FORCEFIELD. THE 20 BEST REMARK 3 STRUCTURES WITH LOWEST ENERGY AND FEWEST ABERRATIONS IN REMARK 3 WELL-DEFINED REGIONS WERE SELECTED. RESTRAINTS INCLUDE REMARK 3 1336 INTERRESIDUE NOES, 55 PHI TORSION RESTRAINTS, 42 REMARK 3 HYDROGEN BONDS, 15 METAL TO LIGAND DISTANCES, AND PEPTIDE REMARK 3 BOND TORSION RESTRAINTS TO MAINTAIN PLANARITY. THE REMARK 3 COMPLETE RESTRAINT LIST IS AVAILABLE AS PDB ENTRY REMARK 3 1UMT-MR. THE MEAN LARGEST NOE VIOLATION IS 0.64 +/- 0.07 REMARK 3 ANGSTROM. FOR RESIDUES 83 THROUGH 250, THE MEAN BACKBONE REMARK 3 (N, CA, C', O) RMSD TO THE AVERAGE IS 0.91 +/- 0.06 REMARK 3 ANGSTROM. THE MEAN RMSD OF ALL HEAVY ATOMS TO THE AVERAGE REMARK 3 IS 1.42 +/- 0.06 ANGSTROM. THIS ENSEMBLE WAS AVERAGED AND REMARK 3 MINIMIZED WITH RESTRAINTS TO GENERATE THIS MODEL. REMARK 3 REMARK 3 RESIDUES 249 (167) - 256 (174) AT THE C-TERMINUS ARE REMARK 3 DYNAMICALLY DISORDERED IN SOLUTION, JUDGING FROM THEIR REMARK 3 LONG T2S AND LACK OF NOES. THESE RESIDUES HAVE BEEN REMARK 3 OMITTED FROM THE MODEL. REMARK 4 REMARK 4 1UMT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 305 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.0-1.5 MM [U-99% 13C; U-99% REMARK 210 15N] DOUBLE LABELED SCD, 10 MM REMARK 210 TRIS-D11.HCL, 20 MM CACL2, 15% REMARK 210 ACETONITRILE-D3, 92% H2O/8% D2O; REMARK 210 0.6 MM [U-99% 13C; U-99% 15N] REMARK 210 DOUBLE LABELED SCD, 10 MM TRIS- REMARK 210 D11.HCL, 20 MM CACL2, 15% REMARK 210 ACETONITRILE-D3, 92% H2O/8% D2O; REMARK 210 0.6 MM [U-99% 15N] N15 LABELED REMARK 210 SCD, 10 MM TRIS-D11.HCL, 20 MM REMARK 210 CACL2, 15% ACETONITRILE-D3, 92% REMARK 210 H2O/8% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D HSQC; 3D CT-HNCA; 3D CT- REMARK 210 HN(CO)CA; 3D CT-HN(CA)HA; 3D HCCH REMARK 210 -TOCSY; 3D CBCA(CO)NH; HCH; HMQC- REMARK 210 J; 3D NOESY-HSQC; HSQC-NOESY; REMARK 210 HBHA(CO)NH; 13C-RESOLVED FSCT- REMARK 210 HSMQC-NOESY; HALF-FILTERED NOESY; REMARK 210 FILTERED TOCSY; 3D CT-HA(CACO)NH; REMARK 210 3D CT-HA(CA)CO(N)H; 3D CT-HNCO; REMARK 210 2D 15N HSQC; 3D 15N-RESOLVED REMARK 210 NOESY-HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX, DGII REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : ALL CALCULATED STRUCTURES REMARK 210 SUBMITTED 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 PRO A 249 REMARK 465 PRO A 250 REMARK 465 ASP A 251 REMARK 465 SER A 252 REMARK 465 PRO A 253 REMARK 465 GLU A 254 REMARK 465 THR A 255 REMARK 465 PRO A 256 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 H THR A 230 H ARG A 231 1.50 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ALA A 116 CB - CA - C ANGL. DEV. = 10.6 DEGREES REMARK 500 PRO A 129 C - N - CA ANGL. DEV. = 12.2 DEGREES REMARK 500 MET A 143 CA - CB - CG ANGL. DEV. = 12.2 DEGREES REMARK 500 VAL A 148 CG1 - CB - CG2 ANGL. DEV. = 14.0 DEGREES REMARK 500 PRO A 160 N - CA - CB ANGL. DEV. = 13.4 DEGREES REMARK 500 LEU A 164 CB - CG - CD2 ANGL. DEV. = 11.5 DEGREES REMARK 500 HIS A 166 CB - CA - C ANGL. DEV. = 13.7 DEGREES REMARK 500 ILE A 174 N - CA - C ANGL. DEV. = -17.4 DEGREES REMARK 500 ASP A 181 CA - CB - CG ANGL. DEV. = 16.9 DEGREES REMARK 500 GLY A 192 N - CA - C ANGL. DEV. = -23.5 DEGREES REMARK 500 LEU A 197 CB - CG - CD1 ANGL. DEV. = -12.0 DEGREES REMARK 500 ILE A 203 CA - CB - CG1 ANGL. DEV. = 11.5 DEGREES REMARK 500 TYR A 223 CB - CG - CD1 ANGL. DEV. = -4.3 DEGREES REMARK 500 TYR A 246 CB - CG - CD2 ANGL. DEV. = -4.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 84 -161.54 -70.80 REMARK 500 THR A 85 173.36 61.59 REMARK 500 PHE A 86 159.52 47.91 REMARK 500 ILE A 89 148.18 83.22 REMARK 500 PRO A 90 -141.82 -43.06 REMARK 500 LYS A 91 41.11 -74.96 REMARK 500 TRP A 92 90.68 -177.95 REMARK 500 ARG A 93 26.83 -74.96 REMARK 500 THR A 95 48.23 -92.25 REMARK 500 HIS A 96 76.45 -158.40 REMARK 500 VAL A 102 -71.23 -54.04 REMARK 500 ASN A 103 -151.80 -97.66 REMARK 500 TYR A 104 127.40 -171.35 REMARK 500 PRO A 106 46.52 -86.01 REMARK 500 ASP A 107 -69.85 -90.02 REMARK 500 VAL A 117 -76.32 -52.75 REMARK 500 GLU A 118 -36.13 -28.26 REMARK 500 PRO A 129 -27.38 -1.62 REMARK 500 GLU A 137 163.77 179.50 REMARK 500 VAL A 148 -45.47 173.05 REMARK 500 ARG A 149 87.24 -57.73 REMARK 500 GLU A 150 76.00 32.34 REMARK 500 ASP A 153 -94.91 -144.44 REMARK 500 PHE A 154 -84.79 -120.94 REMARK 500 PHE A 157 28.44 34.24 REMARK 500 ASN A 162 -140.00 119.14 REMARK 500 LEU A 164 8.06 -179.88 REMARK 500 ALA A 169 -169.72 -62.22 REMARK 500 ASN A 175 113.38 -22.13 REMARK 500 ASP A 181 89.18 -41.07 REMARK 500 GLU A 184 -170.67 -61.49 REMARK 500 TRP A 186 140.80 -36.48 REMARK 500 THR A 187 -160.49 -172.83 REMARK 500 LYS A 188 83.39 -174.13 REMARK 500 ASP A 189 41.41 -99.87 REMARK 500 THR A 190 -31.49 85.81 REMARK 500 THR A 191 -123.40 -144.30 REMARK 500 PHE A 210 115.77 -26.88 REMARK 500 HIS A 211 133.01 64.16 REMARK 500 SER A 212 -166.86 -170.56 REMARK 500 ALA A 213 83.06 -151.23 REMARK 500 THR A 215 -73.53 -64.79 REMARK 500 TYR A 220 153.88 -48.77 REMARK 500 LEU A 222 -176.70 -170.88 REMARK 500 TYR A 223 40.58 -80.03 REMARK 500 LEU A 226 -64.55 -24.08 REMARK 500 ASP A 228 134.49 57.26 REMARK 500 THR A 230 -33.20 -151.97 REMARK 500 ARG A 231 67.18 -163.14 REMARK 500 PHE A 232 5.44 -69.52 REMARK 500 REMARK 500 THIS ENTRY HAS 54 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 THR A 128 PRO A 129 137.36 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 PHE A 146 0.08 SIDE CHAIN REMARK 500 TYR A 168 0.07 SIDE CHAIN REMARK 500 PHE A 180 0.16 SIDE CHAIN REMARK 500 PHE A 196 0.26 SIDE CHAIN REMARK 500 TYR A 223 0.40 SIDE CHAIN REMARK 500 TYR A 246 0.25 SIDE CHAIN 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 ZN A 1 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 211 NE2 REMARK 620 2 HIS A 201 NE2 161.7 REMARK 620 3 HIS A 205 NE2 100.1 80.1 REMARK 620 4 0DS A 261 O21 111.9 82.9 120.5 REMARK 620 5 0DS A 261 O3 78.8 97.5 169.1 69.4 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 2 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 179 ND1 REMARK 620 2 HIS A 151 NE2 93.9 REMARK 620 3 ASP A 153 OD2 101.3 80.6 REMARK 620 4 HIS A 166 NE2 127.1 135.6 103.9 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 3 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 184 OE2 REMARK 620 2 VAL A 163 O 124.4 REMARK 620 3 GLY A 159 O 61.1 164.6 REMARK 620 4 GLY A 161 O 81.3 131.9 60.8 REMARK 620 5 ASP A 181 OD2 67.9 87.8 81.4 139.8 REMARK 620 6 ASP A 158 OD1 139.3 63.5 102.6 125.5 73.1 REMARK 620 N 1 2 3 4 5 REMARK 630 REMARK 630 MOLECULE TYPE: NULL REMARK 630 MOLECULE NAME: N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4- REMARK 630 METHYLPENTANOYL}-L-LEUCYL-L-PHENYLALANINAMIDE REMARK 630 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 630 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 630 REMARK 630 M RES C SSSEQI REMARK 630 0DS A 261 REMARK 630 SOURCE: NULL REMARK 630 TAXONOMY: NULL REMARK 630 SUBCOMP: 2HM LEU PHE NH2 REMARK 630 DETAILS: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 1 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 2 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 3 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 0DS A 261 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1UMS RELATED DB: PDB DBREF 1UMT A 83 256 UNP P08254 MM03_HUMAN 100 273 SEQRES 1 A 174 PHE ARG THR PHE PRO GLY ILE PRO LYS TRP ARG LYS THR SEQRES 2 A 174 HIS LEU THR TYR ARG ILE VAL ASN TYR THR PRO ASP LEU SEQRES 3 A 174 PRO LYS ASP ALA VAL ASP SER ALA VAL GLU LYS ALA LEU SEQRES 4 A 174 LYS VAL TRP GLU GLU VAL THR PRO LEU THR PHE SER ARG SEQRES 5 A 174 LEU TYR GLU GLY GLU ALA ASP ILE MET ILE SER PHE ALA SEQRES 6 A 174 VAL ARG GLU HIS GLY ASP PHE TYR PRO PHE ASP GLY PRO SEQRES 7 A 174 GLY ASN VAL LEU ALA HIS ALA TYR ALA PRO GLY PRO GLY SEQRES 8 A 174 ILE ASN GLY ASP ALA HIS PHE ASP ASP ASP GLU GLN TRP SEQRES 9 A 174 THR LYS ASP THR THR GLY THR ASN LEU PHE LEU VAL ALA SEQRES 10 A 174 ALA HIS GLU ILE GLY HIS SER LEU GLY LEU PHE HIS SER SEQRES 11 A 174 ALA ASN THR GLU ALA LEU MET TYR PRO LEU TYR HIS SER SEQRES 12 A 174 LEU THR ASP LEU THR ARG PHE ARG LEU SER GLN ASP ASP SEQRES 13 A 174 ILE ASN GLY ILE GLN SER LEU TYR GLY PRO PRO PRO ASP SEQRES 14 A 174 SER PRO GLU THR PRO HET ZN A 1 1 HET ZN A 2 1 HET CA A 3 1 HET 0DS A 261 68 HETNAM ZN ZINC ION HETNAM CA CALCIUM ION HETNAM 0DS N-{(2R)-2-[2-(HYDROXYAMINO)-2-OXOETHYL]-4- HETNAM 2 0DS METHYLPENTANOYL}-L-LEUCYL-L-PHENYLALANINAMIDE HETSYN 0DS ICI U24522 FORMUL 2 ZN 2(ZN 2+) FORMUL 4 CA CA 2+ FORMUL 5 0DS C23 H36 N4 O5 HELIX 1 A LYS A 110 VAL A 127 1AMPHIPATHIC 18 HELIX 2 B LEU A 195 SER A 206 1HIS LIGANDS TO CATALYTIC ZN 12 HELIX 3 C GLN A 236 TYR A 246 1 11 SHEET 1 A 5 THR A 131 ARG A 134 0 SHEET 2 A 5 HIS A 96 ILE A 101 1 N LEU A 97 O THR A 131 SHEET 3 A 5 ILE A 142 ALA A 147 1 O ILE A 142 N ARG A 100 SHEET 4 A 5 ASP A 177 ASP A 181 1 N ALA A 178 O MET A 143 SHEET 5 A 5 ALA A 165 TYR A 168 -1 N HIS A 166 O HIS A 179 LINK ZN ZN A 1 NE2 HIS A 211 1555 1555 2.30 LINK ZN ZN A 1 NE2 HIS A 201 1555 1555 2.30 LINK ZN ZN A 1 NE2 HIS A 205 1555 1555 2.30 LINK ZN ZN A 2 ND1 HIS A 179 1555 1555 2.31 LINK ZN ZN A 2 NE2 HIS A 151 1555 1555 2.32 LINK ZN ZN A 2 OD2 ASP A 153 1555 1555 2.29 LINK ZN ZN A 2 NE2 HIS A 166 1555 1555 2.32 LINK CA CA A 3 OE2 GLU A 184 1555 1555 2.29 LINK CA CA A 3 O VAL A 163 1555 1555 2.60 LINK CA CA A 3 O GLY A 159 1555 1555 2.58 LINK CA CA A 3 O GLY A 161 1555 1555 2.59 LINK CA CA A 3 OD2 ASP A 181 1555 1555 2.30 LINK CA CA A 3 OD1 ASP A 158 1555 1555 2.29 LINK ZN ZN A 1 O21 0DS A 261 1555 1555 2.29 LINK ZN ZN A 1 O3 0DS A 261 1555 1555 2.29 CISPEP 1 PHE A 86 PRO A 87 0 -20.42 SITE *** AC1 4 HIS A 201 HIS A 205 HIS A 211 0DS A 261 SITE *** AC2 4 HIS A 151 ASP A 153 HIS A 166 HIS A 179 SITE *** AC3 8 ASP A 158 GLY A 159 GLY A 161 ASN A 162 SITE *** AC3 8 VAL A 163 LEU A 164 ASP A 181 GLU A 184 SITE *** AC4 12 ZN A 1 TYR A 155 ASN A 162 VAL A 163 SITE *** AC4 12 THR A 191 LEU A 197 VAL A 198 HIS A 201 SITE *** AC4 12 HIS A 211 TYR A 220 PRO A 221 LEU A 222 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-H: A 201 HIS HE2 : A 201 HIS NE2 : A 1 ZNZN :(H bumps) USER MOD NoAdj-H: A 205 HIS HE2 : A 205 HIS NE2 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 212 SER OG : rot 126:sc= 0.772 USER MOD Set 1.2: A 214 ASN : amide:sc= -0.183 X(o=0.57,f=0.72) USER MOD Set 1.3: A 236 GLN : amide:sc= -0.02 X(o=0.57,f=0.72) USER MOD Set 2.1: A 194 ASN : amide:sc= -0.581 K(o=-0.58,f=-2.2) USER MOD Set 2.2: A 223 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 151 HIS : no HD1:sc= -0.533 K(o=-12,f=-13) USER MOD Set 3.2: A 166 HIS : no HD1:sc= -9.29! C(o=-12!,f=-14!) USER MOD Set 3.3: A 179 HIS : no HD1:sc= -1.78 X(o=-12,f=-12) USER MOD Set 4.1: A 155 TYR OH : rot -164:sc= 0.123 USER MOD Set 4.2: A 211 HIS : no HE2:sc= 2.06 K(o=2.2,f=-7!) USER MOD Set 5.1: A 96 HIS : no HD1:sc= -0.542 X(o=-0.81,f=-0.99) USER MOD Set 5.2: A 131 THR OG1 : rot 176:sc= -0.27 USER MOD Single : A 85 THR OG1 : rot 91:sc= -0.94 USER MOD Single : A 91 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00197) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 98 THR OG1 : rot 32:sc= 0.506 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 104 TYR OH : rot 100:sc= 0.398 USER MOD Single : A 105 THR OG1 : rot 64:sc= 0.901 USER MOD Single : A 110 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0499) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0512) USER MOD Single : A 128 THR OG1 : rot 28:sc= -1.62 USER MOD Single : A 133 SER OG : rot 180:sc=-0.00186 USER MOD Single : A 136 TYR OH : rot 129:sc= 0.116 USER MOD Single : A 143 MET CE :methyl 153:sc= -5.06 (180deg=-12.4!) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 162 ASN : amide:sc= -0.665 K(o=-0.67,f=-1.7) USER MOD Single : A 168 TYR OH : rot -153:sc= 0.182 USER MOD Single : A 175 ASN : amide:sc= 0.282 X(o=0.28,f=0) USER MOD Single : A 185 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 187 THR OG1 : rot -165:sc= 0.68 USER MOD Single : A 188 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 190 THR OG1 : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot 180:sc= -0.0932 USER MOD Single : A 193 THR OG1 : rot 118:sc= 1.05 USER MOD Single : A 206 SER OG : rot -134:sc= -0.717 USER MOD Single : A 215 THR OG1 : rot 180:sc= 0 USER MOD Single : A 219 MET CE :methyl -171:sc=-0.00489 (180deg=-0.0725) USER MOD Single : A 220 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 HIS : no HD1:sc= -0.0631 K(o=-0.063,f=-0.58) USER MOD Single : A 225 SER OG : rot 38:sc= 0.691 USER MOD Single : A 227 THR OG1 : rot 150:sc= -0.0524 USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 235 SER OG : rot 150:sc= 0.44 USER MOD Single : A 240 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 243 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 244 SER OG : rot 98:sc= -0.184 USER MOD Single : A 246 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 83 -16.644 -1.416 8.244 1.00 0.00 N ATOM 2 CA PHE A 83 -15.702 -0.571 7.485 1.00 0.00 C ATOM 3 C PHE A 83 -15.844 -0.797 5.973 1.00 0.00 C ATOM 4 O PHE A 83 -16.901 -1.223 5.507 1.00 0.00 O ATOM 5 CB PHE A 83 -14.261 -0.801 7.994 1.00 0.00 C ATOM 6 CG PHE A 83 -13.508 -2.088 7.656 1.00 0.00 C ATOM 7 CD1 PHE A 83 -14.144 -3.242 7.154 1.00 0.00 C ATOM 8 CD2 PHE A 83 -12.125 -2.133 7.919 1.00 0.00 C ATOM 9 CE1 PHE A 83 -13.413 -4.424 6.942 1.00 0.00 C ATOM 10 CE2 PHE A 83 -11.404 -3.326 7.748 1.00 0.00 C ATOM 11 CZ PHE A 83 -12.044 -4.473 7.251 1.00 0.00 C ATOM 0 HA PHE A 83 -15.945 0.478 7.655 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -13.656 0.029 7.629 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -14.289 -0.722 9.081 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.200 -3.218 6.931 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.615 -1.242 8.255 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -13.906 -5.297 6.540 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -10.354 -3.361 7.999 1.00 0.00 H new ATOM 0 HZ PHE A 83 -11.487 -5.387 7.107 1.00 0.00 H new ATOM 23 N ARG A 84 -14.779 -0.512 5.213 1.00 0.00 N ATOM 24 CA ARG A 84 -14.687 -0.712 3.772 1.00 0.00 C ATOM 25 C ARG A 84 -14.613 -2.216 3.446 1.00 0.00 C ATOM 26 O ARG A 84 -14.980 -3.051 4.272 1.00 0.00 O ATOM 27 CB ARG A 84 -13.443 0.059 3.287 1.00 0.00 C ATOM 28 CG ARG A 84 -13.592 1.583 3.382 1.00 0.00 C ATOM 29 CD ARG A 84 -14.430 2.137 2.226 1.00 0.00 C ATOM 30 NE ARG A 84 -14.537 3.598 2.306 1.00 0.00 N ATOM 31 CZ ARG A 84 -14.909 4.423 1.313 1.00 0.00 C ATOM 32 NH1 ARG A 84 -15.196 3.955 0.088 1.00 0.00 N ATOM 33 NH2 ARG A 84 -15.000 5.738 1.554 1.00 0.00 N ATOM 0 H ARG A 84 -13.925 -0.119 5.608 1.00 0.00 H new ATOM 0 HA ARG A 84 -15.570 -0.334 3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.580 -0.251 3.877 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -13.237 -0.214 2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -14.060 1.846 4.331 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -12.606 2.047 3.374 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -13.977 1.854 1.276 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -15.426 1.694 2.249 1.00 0.00 H new ATOM 0 HE ARG A 84 -14.307 4.029 3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -15.134 2.955 -0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -15.476 4.599 -0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -14.788 6.102 2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -15.281 6.375 0.809 1.00 0.00 H new ATOM 46 N THR A 85 -14.151 -2.564 2.235 1.00 0.00 N ATOM 47 CA THR A 85 -13.962 -3.920 1.713 1.00 0.00 C ATOM 48 C THR A 85 -15.285 -4.694 1.646 1.00 0.00 C ATOM 49 O THR A 85 -16.317 -4.249 2.145 1.00 0.00 O ATOM 50 CB THR A 85 -12.975 -4.775 2.561 1.00 0.00 C ATOM 51 OG1 THR A 85 -12.533 -4.153 3.741 1.00 0.00 O ATOM 52 CG2 THR A 85 -11.761 -5.115 1.698 1.00 0.00 C ATOM 0 H THR A 85 -13.883 -1.856 1.552 1.00 0.00 H new ATOM 0 HA THR A 85 -13.546 -3.771 0.716 1.00 0.00 H new ATOM 0 HB THR A 85 -13.524 -5.664 2.873 1.00 0.00 H new ATOM 0 HG1 THR A 85 -13.133 -4.388 4.479 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.059 -5.714 2.278 1.00 0.00 H new ATOM 0 HG22 THR A 85 -12.083 -5.679 0.823 1.00 0.00 H new ATOM 0 HG23 THR A 85 -11.273 -4.194 1.377 1.00 0.00 H new ATOM 60 N PHE A 86 -15.180 -5.887 1.044 1.00 0.00 N ATOM 61 CA PHE A 86 -16.144 -6.973 0.902 1.00 0.00 C ATOM 62 C PHE A 86 -17.565 -6.623 0.435 1.00 0.00 C ATOM 63 O PHE A 86 -18.024 -5.496 0.609 1.00 0.00 O ATOM 64 CB PHE A 86 -16.156 -7.676 2.285 1.00 0.00 C ATOM 65 CG PHE A 86 -16.941 -6.997 3.396 1.00 0.00 C ATOM 66 CD1 PHE A 86 -18.335 -7.174 3.483 1.00 0.00 C ATOM 67 CD2 PHE A 86 -16.271 -6.269 4.400 1.00 0.00 C ATOM 68 CE1 PHE A 86 -19.067 -6.539 4.501 1.00 0.00 C ATOM 69 CE2 PHE A 86 -17.003 -5.642 5.423 1.00 0.00 C ATOM 70 CZ PHE A 86 -18.402 -5.763 5.465 1.00 0.00 C ATOM 0 H PHE A 86 -14.302 -6.138 0.589 1.00 0.00 H new ATOM 0 HA PHE A 86 -15.815 -7.601 0.074 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -16.557 -8.680 2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -15.124 -7.787 2.618 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -18.844 -7.800 2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -15.194 -6.193 4.383 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -20.141 -6.648 4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -16.489 -5.066 6.178 1.00 0.00 H new ATOM 0 HZ PHE A 86 -18.965 -5.260 6.237 1.00 0.00 H new ATOM 80 N PRO A 87 -18.330 -7.598 -0.098 1.00 0.00 N ATOM 81 CA PRO A 87 -17.992 -8.888 -0.696 1.00 0.00 C ATOM 82 C PRO A 87 -18.111 -8.788 -2.211 1.00 0.00 C ATOM 83 O PRO A 87 -18.622 -7.802 -2.743 1.00 0.00 O ATOM 84 CB PRO A 87 -19.036 -9.838 -0.121 1.00 0.00 C ATOM 85 CG PRO A 87 -20.294 -8.963 -0.182 1.00 0.00 C ATOM 86 CD PRO A 87 -19.778 -7.519 -0.069 1.00 0.00 C ATOM 0 HA PRO A 87 -16.976 -9.220 -0.483 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -19.137 -10.747 -0.714 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -18.797 -10.146 0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -20.837 -9.117 -1.115 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -20.981 -9.202 0.630 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -20.150 -6.908 -0.891 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -20.123 -7.054 0.855 1.00 0.00 H new ATOM 94 N GLY A 88 -17.605 -9.801 -2.922 1.00 0.00 N ATOM 95 CA GLY A 88 -17.558 -9.732 -4.370 1.00 0.00 C ATOM 96 C GLY A 88 -16.586 -8.638 -4.832 1.00 0.00 C ATOM 97 O GLY A 88 -16.522 -8.403 -6.036 1.00 0.00 O ATOM 0 H GLY A 88 -17.231 -10.660 -2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.247 -10.695 -4.775 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -18.555 -9.528 -4.761 1.00 0.00 H new ATOM 101 N ILE A 89 -15.872 -7.983 -3.886 1.00 0.00 N ATOM 102 CA ILE A 89 -14.941 -6.862 -4.028 1.00 0.00 C ATOM 103 C ILE A 89 -15.765 -5.566 -4.063 1.00 0.00 C ATOM 104 O ILE A 89 -16.883 -5.582 -4.577 1.00 0.00 O ATOM 105 CB ILE A 89 -14.067 -6.972 -5.298 1.00 0.00 C ATOM 106 CG1 ILE A 89 -13.285 -8.264 -5.379 1.00 0.00 C ATOM 107 CG2 ILE A 89 -13.058 -5.818 -5.387 1.00 0.00 C ATOM 108 CD1 ILE A 89 -12.962 -8.729 -6.798 1.00 0.00 C ATOM 0 H ILE A 89 -15.949 -8.263 -2.908 1.00 0.00 H new ATOM 0 HA ILE A 89 -14.254 -6.870 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 89 -14.776 -6.935 -6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.351 -8.142 -4.830 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -13.851 -9.047 -4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.460 -5.927 -6.292 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -13.593 -4.869 -5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.404 -5.838 -4.515 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.400 -9.662 -6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.889 -8.888 -7.349 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -12.366 -7.969 -7.303 1.00 0.00 H new ATOM 120 N PRO A 90 -15.218 -4.448 -3.551 1.00 0.00 N ATOM 121 CA PRO A 90 -15.610 -3.069 -3.847 1.00 0.00 C ATOM 122 C PRO A 90 -15.888 -2.734 -5.327 1.00 0.00 C ATOM 123 O PRO A 90 -16.491 -3.494 -6.081 1.00 0.00 O ATOM 124 CB PRO A 90 -14.472 -2.234 -3.242 1.00 0.00 C ATOM 125 CG PRO A 90 -14.145 -3.012 -1.975 1.00 0.00 C ATOM 126 CD PRO A 90 -14.236 -4.450 -2.469 1.00 0.00 C ATOM 0 HA PRO A 90 -16.589 -2.855 -3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.615 -2.167 -3.912 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -14.787 -1.213 -3.024 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.153 -2.772 -1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.855 -2.808 -1.174 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -13.267 -4.802 -2.823 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.544 -5.119 -1.665 1.00 0.00 H new ATOM 134 N LYS A 91 -15.469 -1.532 -5.713 1.00 0.00 N ATOM 135 CA LYS A 91 -15.702 -0.876 -7.000 1.00 0.00 C ATOM 136 C LYS A 91 -14.866 -1.421 -8.164 1.00 0.00 C ATOM 137 O LYS A 91 -14.418 -0.655 -9.014 1.00 0.00 O ATOM 138 CB LYS A 91 -15.439 0.627 -6.807 1.00 0.00 C ATOM 139 CG LYS A 91 -16.301 1.209 -5.682 1.00 0.00 C ATOM 140 CD LYS A 91 -16.146 2.732 -5.629 1.00 0.00 C ATOM 141 CE LYS A 91 -16.926 3.307 -4.445 1.00 0.00 C ATOM 142 NZ LYS A 91 -16.828 4.775 -4.404 1.00 0.00 N ATOM 0 H LYS A 91 -14.916 -0.945 -5.088 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.733 -1.080 -7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -14.385 0.786 -6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.647 1.156 -7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -17.347 0.948 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.008 0.773 -4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.092 2.994 -5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -16.506 3.173 -6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.973 3.012 -4.518 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.541 2.888 -3.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.352 5.135 -3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -15.829 5.054 -4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -17.233 5.174 -5.275 1.00 0.00 H new ATOM 156 N TRP A 92 -14.713 -2.745 -8.235 1.00 0.00 N ATOM 157 CA TRP A 92 -14.049 -3.461 -9.319 1.00 0.00 C ATOM 158 C TRP A 92 -14.144 -4.962 -9.024 1.00 0.00 C ATOM 159 O TRP A 92 -13.280 -5.526 -8.361 1.00 0.00 O ATOM 160 CB TRP A 92 -12.591 -2.987 -9.501 1.00 0.00 C ATOM 161 CG TRP A 92 -11.860 -2.342 -8.349 1.00 0.00 C ATOM 162 CD1 TRP A 92 -11.459 -2.952 -7.212 1.00 0.00 C ATOM 163 CD2 TRP A 92 -11.390 -0.961 -8.232 1.00 0.00 C ATOM 164 NE1 TRP A 92 -10.760 -2.068 -6.416 1.00 0.00 N ATOM 165 CE2 TRP A 92 -10.681 -0.822 -7.002 1.00 0.00 C ATOM 166 CE3 TRP A 92 -11.469 0.186 -9.055 1.00 0.00 C ATOM 167 CZ2 TRP A 92 -10.063 0.381 -6.623 1.00 0.00 C ATOM 168 CZ3 TRP A 92 -10.910 1.413 -8.653 1.00 0.00 C ATOM 169 CH2 TRP A 92 -10.211 1.511 -7.440 1.00 0.00 C ATOM 0 H TRP A 92 -15.063 -3.370 -7.509 1.00 0.00 H new ATOM 0 HA TRP A 92 -14.544 -3.251 -10.267 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -12.005 -3.851 -9.814 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -12.581 -2.278 -10.329 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -11.657 -3.984 -6.962 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -10.354 -2.305 -5.511 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -11.968 0.119 -10.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -9.482 0.435 -5.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -11.019 2.284 -9.282 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -9.787 2.457 -7.136 1.00 0.00 H new ATOM 180 N ARG A 93 -15.211 -5.605 -9.521 1.00 0.00 N ATOM 181 CA ARG A 93 -15.558 -7.005 -9.267 1.00 0.00 C ATOM 182 C ARG A 93 -14.691 -8.035 -10.019 1.00 0.00 C ATOM 183 O ARG A 93 -15.152 -9.150 -10.259 1.00 0.00 O ATOM 184 CB ARG A 93 -17.058 -7.189 -9.585 1.00 0.00 C ATOM 185 CG ARG A 93 -17.549 -6.675 -10.952 1.00 0.00 C ATOM 186 CD ARG A 93 -16.868 -7.324 -12.162 1.00 0.00 C ATOM 187 NE ARG A 93 -17.416 -6.816 -13.425 1.00 0.00 N ATOM 188 CZ ARG A 93 -17.102 -5.635 -13.986 1.00 0.00 C ATOM 189 NH1 ARG A 93 -16.254 -4.782 -13.390 1.00 0.00 N ATOM 190 NH2 ARG A 93 -17.648 -5.301 -15.164 1.00 0.00 N ATOM 0 H ARG A 93 -15.881 -5.142 -10.135 1.00 0.00 H new ATOM 0 HA ARG A 93 -15.349 -7.210 -8.217 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -17.291 -8.252 -9.519 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -17.634 -6.687 -8.807 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -18.624 -6.843 -11.024 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -17.391 -5.597 -10.998 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -15.796 -7.130 -12.125 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -16.998 -8.405 -12.117 1.00 0.00 H new ATOM 0 HE ARG A 93 -18.088 -7.405 -13.916 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -15.833 -5.024 -12.493 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -16.030 -3.891 -13.834 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -18.295 -5.940 -15.626 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -17.417 -4.408 -15.598 1.00 0.00 H new ATOM 204 N LYS A 94 -13.441 -7.698 -10.365 1.00 0.00 N ATOM 205 CA LYS A 94 -12.527 -8.573 -11.096 1.00 0.00 C ATOM 206 C LYS A 94 -11.374 -9.021 -10.199 1.00 0.00 C ATOM 207 O LYS A 94 -10.825 -8.203 -9.463 1.00 0.00 O ATOM 208 CB LYS A 94 -11.952 -7.821 -12.305 1.00 0.00 C ATOM 209 CG LYS A 94 -13.041 -7.304 -13.250 1.00 0.00 C ATOM 210 CD LYS A 94 -12.407 -6.740 -14.525 1.00 0.00 C ATOM 211 CE LYS A 94 -13.482 -6.158 -15.445 1.00 0.00 C ATOM 212 NZ LYS A 94 -12.898 -5.654 -16.698 1.00 0.00 N ATOM 0 H LYS A 94 -13.033 -6.791 -10.138 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.083 -9.450 -11.427 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.352 -6.981 -11.954 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.283 -8.483 -12.855 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -13.728 -8.112 -13.503 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.627 -6.531 -12.753 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.683 -5.967 -14.267 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.861 -7.527 -15.046 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.225 -6.924 -15.670 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -14.003 -5.349 -14.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.651 -5.266 -17.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.207 -4.907 -16.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.422 -6.433 -17.197 1.00 0.00 H new ATOM 226 N THR A 95 -10.980 -10.302 -10.291 1.00 0.00 N ATOM 227 CA THR A 95 -9.813 -10.840 -9.588 1.00 0.00 C ATOM 228 C THR A 95 -8.599 -10.728 -10.515 1.00 0.00 C ATOM 229 O THR A 95 -7.824 -11.667 -10.693 1.00 0.00 O ATOM 230 CB THR A 95 -10.063 -12.283 -9.102 1.00 0.00 C ATOM 231 OG1 THR A 95 -11.073 -12.915 -9.861 1.00 0.00 O ATOM 232 CG2 THR A 95 -10.457 -12.205 -7.627 1.00 0.00 C ATOM 0 H THR A 95 -11.468 -10.994 -10.860 1.00 0.00 H new ATOM 0 HA THR A 95 -9.618 -10.260 -8.686 1.00 0.00 H new ATOM 0 HB THR A 95 -9.161 -12.882 -9.227 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.208 -13.828 -9.531 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.643 -13.209 -7.246 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.649 -11.745 -7.058 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.361 -11.605 -7.523 1.00 0.00 H new ATOM 240 N HIS A 96 -8.448 -9.532 -11.088 1.00 0.00 N ATOM 241 CA HIS A 96 -7.422 -9.164 -12.048 1.00 0.00 C ATOM 242 C HIS A 96 -7.281 -7.646 -12.021 1.00 0.00 C ATOM 243 O HIS A 96 -7.790 -6.979 -12.923 1.00 0.00 O ATOM 244 CB HIS A 96 -7.805 -9.652 -13.458 1.00 0.00 C ATOM 245 CG HIS A 96 -7.858 -11.150 -13.613 1.00 0.00 C ATOM 246 ND1 HIS A 96 -6.698 -11.911 -13.762 1.00 0.00 N ATOM 247 CD2 HIS A 96 -8.943 -11.988 -13.615 1.00 0.00 C ATOM 248 CE1 HIS A 96 -7.127 -13.174 -13.831 1.00 0.00 C ATOM 249 NE2 HIS A 96 -8.464 -13.275 -13.746 1.00 0.00 N ATOM 0 H HIS A 96 -9.076 -8.756 -10.879 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.473 -9.632 -11.788 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -8.779 -9.239 -13.719 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -7.087 -9.251 -14.174 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -9.979 -11.695 -13.530 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -6.469 -14.023 -13.943 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -9.015 -14.133 -13.773 1.00 0.00 H new ATOM 257 N LEU A 97 -6.617 -7.098 -10.989 1.00 0.00 N ATOM 258 CA LEU A 97 -6.516 -5.644 -10.847 1.00 0.00 C ATOM 259 C LEU A 97 -5.101 -5.126 -11.108 1.00 0.00 C ATOM 260 O LEU A 97 -4.166 -5.865 -11.439 1.00 0.00 O ATOM 261 CB LEU A 97 -7.103 -5.248 -9.484 1.00 0.00 C ATOM 262 CG LEU A 97 -8.613 -5.025 -9.701 1.00 0.00 C ATOM 263 CD1 LEU A 97 -9.419 -5.424 -8.464 1.00 0.00 C ATOM 264 CD2 LEU A 97 -8.878 -3.554 -10.045 1.00 0.00 C ATOM 0 H LEU A 97 -6.151 -7.632 -10.255 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.106 -5.150 -11.619 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.929 -6.031 -8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.628 -4.342 -9.106 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.932 -5.657 -10.529 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.479 -5.254 -8.650 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.253 -6.479 -8.246 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.100 -4.823 -7.612 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.947 -3.403 -10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.535 -2.921 -9.226 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.341 -3.291 -10.956 1.00 0.00 H new ATOM 276 N THR A 98 -4.961 -3.800 -11.017 1.00 0.00 N ATOM 277 CA THR A 98 -3.711 -3.186 -11.392 1.00 0.00 C ATOM 278 C THR A 98 -3.316 -2.030 -10.484 1.00 0.00 C ATOM 279 O THR A 98 -4.115 -1.583 -9.663 1.00 0.00 O ATOM 280 CB THR A 98 -3.893 -2.794 -12.866 1.00 0.00 C ATOM 281 OG1 THR A 98 -2.652 -2.661 -13.492 1.00 0.00 O ATOM 282 CG2 THR A 98 -4.666 -1.486 -13.020 1.00 0.00 C ATOM 0 H THR A 98 -5.684 -3.157 -10.695 1.00 0.00 H new ATOM 0 HA THR A 98 -2.870 -3.869 -11.273 1.00 0.00 H new ATOM 0 HB THR A 98 -4.467 -3.592 -13.336 1.00 0.00 H new ATOM 0 HG1 THR A 98 -2.015 -3.290 -13.093 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.771 -1.248 -14.078 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.654 -1.592 -12.572 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.125 -0.683 -12.519 1.00 0.00 H new ATOM 290 N TYR A 99 -2.065 -1.569 -10.627 1.00 0.00 N ATOM 291 CA TYR A 99 -1.531 -0.465 -9.847 1.00 0.00 C ATOM 292 C TYR A 99 -0.619 0.353 -10.734 1.00 0.00 C ATOM 293 O TYR A 99 -0.281 -0.096 -11.821 1.00 0.00 O ATOM 294 CB TYR A 99 -0.722 -0.993 -8.654 1.00 0.00 C ATOM 295 CG TYR A 99 0.623 -1.603 -9.002 1.00 0.00 C ATOM 296 CD1 TYR A 99 0.718 -2.973 -9.295 1.00 0.00 C ATOM 297 CD2 TYR A 99 1.784 -0.808 -9.014 1.00 0.00 C ATOM 298 CE1 TYR A 99 1.970 -3.550 -9.570 1.00 0.00 C ATOM 299 CE2 TYR A 99 3.021 -1.376 -9.356 1.00 0.00 C ATOM 300 CZ TYR A 99 3.119 -2.750 -9.617 1.00 0.00 C ATOM 301 OH TYR A 99 4.321 -3.305 -9.936 1.00 0.00 O ATOM 0 H TYR A 99 -1.399 -1.960 -11.293 1.00 0.00 H new ATOM 0 HA TYR A 99 -2.355 0.143 -9.473 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.560 -0.173 -7.954 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.319 -1.743 -8.134 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.172 -3.584 -9.309 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.723 0.240 -8.760 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.046 -4.613 -9.746 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.901 -0.752 -9.418 1.00 0.00 H new ATOM 0 HH TYR A 99 5.014 -2.612 -9.925 1.00 0.00 H new ATOM 311 N ARG A 100 -0.192 1.533 -10.281 1.00 0.00 N ATOM 312 CA ARG A 100 0.795 2.256 -11.069 1.00 0.00 C ATOM 313 C ARG A 100 1.452 3.353 -10.254 1.00 0.00 C ATOM 314 O ARG A 100 0.780 4.228 -9.722 1.00 0.00 O ATOM 315 CB ARG A 100 0.161 2.858 -12.335 1.00 0.00 C ATOM 316 CG ARG A 100 1.225 3.482 -13.252 1.00 0.00 C ATOM 317 CD ARG A 100 1.049 4.995 -13.358 1.00 0.00 C ATOM 318 NE ARG A 100 2.165 5.591 -14.103 1.00 0.00 N ATOM 319 CZ ARG A 100 2.153 6.788 -14.714 1.00 0.00 C ATOM 320 NH1 ARG A 100 1.067 7.576 -14.683 1.00 0.00 N ATOM 321 NH2 ARG A 100 3.249 7.204 -15.361 1.00 0.00 N ATOM 0 H ARG A 100 -0.496 1.986 -9.419 1.00 0.00 H new ATOM 0 HA ARG A 100 1.559 1.538 -11.367 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -0.379 2.082 -12.877 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -0.569 3.617 -12.053 1.00 0.00 H new ATOM 0 HG2 ARG A 100 2.219 3.256 -12.866 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.160 3.036 -14.244 1.00 0.00 H new ATOM 0 HD2 ARG A 100 0.107 5.224 -13.857 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.995 5.432 -12.361 1.00 0.00 H new ATOM 0 HE ARG A 100 3.026 5.048 -14.162 1.00 0.00 H new ATOM 0 HH11 ARG A 100 0.229 7.270 -14.189 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.080 8.481 -15.154 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.081 6.614 -15.386 1.00 0.00 H new ATOM 0 HH22 ARG A 100 3.252 8.111 -15.829 1.00 0.00 H new ATOM 335 N ILE A 101 2.784 3.316 -10.188 1.00 0.00 N ATOM 336 CA ILE A 101 3.535 4.395 -9.559 1.00 0.00 C ATOM 337 C ILE A 101 3.439 5.500 -10.622 1.00 0.00 C ATOM 338 O ILE A 101 4.065 5.412 -11.679 1.00 0.00 O ATOM 339 CB ILE A 101 5.010 4.037 -9.235 1.00 0.00 C ATOM 340 CG1 ILE A 101 5.351 2.540 -9.324 1.00 0.00 C ATOM 341 CG2 ILE A 101 5.394 4.534 -7.824 1.00 0.00 C ATOM 342 CD1 ILE A 101 4.710 1.672 -8.242 1.00 0.00 C ATOM 0 H ILE A 101 3.357 2.558 -10.559 1.00 0.00 H new ATOM 0 HA ILE A 101 3.137 4.664 -8.581 1.00 0.00 H new ATOM 0 HB ILE A 101 5.586 4.542 -10.011 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.040 2.168 -10.300 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.433 2.424 -9.269 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.432 4.273 -7.616 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.275 5.616 -7.775 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.747 4.064 -7.084 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.007 0.633 -8.386 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.040 2.012 -7.260 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.625 1.751 -8.307 1.00 0.00 H new ATOM 354 N VAL A 102 2.604 6.505 -10.336 1.00 0.00 N ATOM 355 CA VAL A 102 2.285 7.694 -11.102 1.00 0.00 C ATOM 356 C VAL A 102 3.656 8.301 -11.363 1.00 0.00 C ATOM 357 O VAL A 102 4.178 8.243 -12.475 1.00 0.00 O ATOM 358 CB VAL A 102 1.279 8.513 -10.250 1.00 0.00 C ATOM 359 CG1 VAL A 102 0.592 9.693 -10.926 1.00 0.00 C ATOM 360 CG2 VAL A 102 0.090 7.636 -9.859 1.00 0.00 C ATOM 0 H VAL A 102 2.081 6.494 -9.460 1.00 0.00 H new ATOM 0 HA VAL A 102 1.783 7.581 -12.063 1.00 0.00 H new ATOM 0 HB VAL A 102 1.916 8.872 -9.442 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.083 10.175 -10.219 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.343 10.410 -11.258 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.024 9.339 -11.786 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.611 8.219 -9.261 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.410 7.279 -10.759 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.442 6.784 -9.277 1.00 0.00 H new ATOM 370 N ASN A 103 4.239 8.832 -10.294 1.00 0.00 N ATOM 371 CA ASN A 103 5.590 9.325 -10.210 1.00 0.00 C ATOM 372 C ASN A 103 6.433 8.200 -9.588 1.00 0.00 C ATOM 373 O ASN A 103 6.090 7.027 -9.698 1.00 0.00 O ATOM 374 CB ASN A 103 5.558 10.602 -9.393 1.00 0.00 C ATOM 375 CG ASN A 103 4.625 11.660 -9.981 1.00 0.00 C ATOM 376 OD1 ASN A 103 5.042 12.458 -10.818 1.00 0.00 O ATOM 377 ND2 ASN A 103 3.365 11.675 -9.537 1.00 0.00 N ATOM 0 H ASN A 103 3.739 8.931 -9.410 1.00 0.00 H new ATOM 0 HA ASN A 103 6.036 9.577 -11.172 1.00 0.00 H new ATOM 0 HB2 ASN A 103 5.241 10.369 -8.376 1.00 0.00 H new ATOM 0 HB3 ASN A 103 6.566 11.010 -9.327 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.707 12.368 -9.894 1.00 0.00 H new ATOM 0 HD22 ASN A 103 3.061 10.994 -8.841 1.00 0.00 H new ATOM 384 N TYR A 104 7.508 8.590 -8.898 1.00 0.00 N ATOM 385 CA TYR A 104 8.436 7.794 -8.097 1.00 0.00 C ATOM 386 C TYR A 104 9.329 8.806 -7.374 1.00 0.00 C ATOM 387 O TYR A 104 9.895 9.652 -8.069 1.00 0.00 O ATOM 388 CB TYR A 104 9.362 6.885 -8.936 1.00 0.00 C ATOM 389 CG TYR A 104 8.791 6.153 -10.135 1.00 0.00 C ATOM 390 CD1 TYR A 104 8.777 6.793 -11.389 1.00 0.00 C ATOM 391 CD2 TYR A 104 8.443 4.792 -10.044 1.00 0.00 C ATOM 392 CE1 TYR A 104 8.391 6.087 -12.539 1.00 0.00 C ATOM 393 CE2 TYR A 104 8.064 4.085 -11.200 1.00 0.00 C ATOM 394 CZ TYR A 104 8.034 4.732 -12.446 1.00 0.00 C ATOM 395 OH TYR A 104 7.664 4.041 -13.563 1.00 0.00 O ATOM 0 H TYR A 104 7.776 9.574 -8.887 1.00 0.00 H new ATOM 0 HA TYR A 104 7.857 7.142 -7.443 1.00 0.00 H new ATOM 0 HB2 TYR A 104 10.191 7.498 -9.290 1.00 0.00 H new ATOM 0 HB3 TYR A 104 9.783 6.137 -8.265 1.00 0.00 H new ATOM 0 HD1 TYR A 104 9.064 7.831 -11.466 1.00 0.00 H new ATOM 0 HD2 TYR A 104 8.467 4.291 -9.088 1.00 0.00 H new ATOM 0 HE1 TYR A 104 8.369 6.586 -13.496 1.00 0.00 H new ATOM 0 HE2 TYR A 104 7.795 3.041 -11.129 1.00 0.00 H new ATOM 0 HH TYR A 104 8.421 3.506 -13.883 1.00 0.00 H new ATOM 405 N THR A 105 9.494 8.760 -6.036 1.00 0.00 N ATOM 406 CA THR A 105 10.463 9.679 -5.437 1.00 0.00 C ATOM 407 C THR A 105 11.849 9.066 -5.686 1.00 0.00 C ATOM 408 O THR A 105 12.031 7.873 -5.439 1.00 0.00 O ATOM 409 CB THR A 105 10.218 10.009 -3.941 1.00 0.00 C ATOM 410 OG1 THR A 105 10.846 11.260 -3.724 1.00 0.00 O ATOM 411 CG2 THR A 105 10.915 9.104 -2.940 1.00 0.00 C ATOM 0 H THR A 105 9.003 8.139 -5.393 1.00 0.00 H new ATOM 0 HA THR A 105 10.364 10.657 -5.909 1.00 0.00 H new ATOM 0 HB THR A 105 9.142 9.933 -3.787 1.00 0.00 H new ATOM 0 HG1 THR A 105 10.407 11.945 -4.270 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.673 9.427 -1.927 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.580 8.077 -3.083 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.993 9.158 -3.090 1.00 0.00 H new ATOM 419 N PRO A 106 12.817 9.834 -6.220 1.00 0.00 N ATOM 420 CA PRO A 106 14.085 9.295 -6.684 1.00 0.00 C ATOM 421 C PRO A 106 15.107 9.191 -5.545 1.00 0.00 C ATOM 422 O PRO A 106 16.260 9.582 -5.719 1.00 0.00 O ATOM 423 CB PRO A 106 14.529 10.262 -7.788 1.00 0.00 C ATOM 424 CG PRO A 106 14.049 11.604 -7.239 1.00 0.00 C ATOM 425 CD PRO A 106 12.703 11.231 -6.619 1.00 0.00 C ATOM 0 HA PRO A 106 13.994 8.275 -7.057 1.00 0.00 H new ATOM 0 HB2 PRO A 106 15.609 10.244 -7.938 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.070 10.025 -8.748 1.00 0.00 H new ATOM 0 HG2 PRO A 106 14.739 12.013 -6.501 1.00 0.00 H new ATOM 0 HG3 PRO A 106 13.943 12.352 -8.025 1.00 0.00 H new ATOM 0 HD2 PRO A 106 12.480 11.865 -5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 106 11.893 11.367 -7.335 1.00 0.00 H new ATOM 433 N ASP A 107 14.699 8.655 -4.384 1.00 0.00 N ATOM 434 CA ASP A 107 15.630 8.403 -3.286 1.00 0.00 C ATOM 435 C ASP A 107 16.134 6.994 -3.526 1.00 0.00 C ATOM 436 O ASP A 107 17.294 6.871 -3.922 1.00 0.00 O ATOM 437 CB ASP A 107 14.962 8.601 -1.944 1.00 0.00 C ATOM 438 CG ASP A 107 14.702 10.090 -1.705 1.00 0.00 C ATOM 439 OD1 ASP A 107 15.693 10.795 -1.415 1.00 0.00 O ATOM 440 OD2 ASP A 107 13.533 10.510 -1.833 1.00 0.00 O ATOM 0 H ASP A 107 13.734 8.391 -4.187 1.00 0.00 H new ATOM 0 HA ASP A 107 16.465 9.104 -3.261 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.023 8.049 -1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.594 8.202 -1.151 1.00 0.00 H new ATOM 445 N LEU A 108 15.303 5.940 -3.355 1.00 0.00 N ATOM 446 CA LEU A 108 15.840 4.648 -3.804 1.00 0.00 C ATOM 447 C LEU A 108 15.642 4.775 -5.329 1.00 0.00 C ATOM 448 O LEU A 108 14.914 5.673 -5.768 1.00 0.00 O ATOM 449 CB LEU A 108 15.091 3.404 -3.297 1.00 0.00 C ATOM 450 CG LEU A 108 14.951 3.152 -1.792 1.00 0.00 C ATOM 451 CD1 LEU A 108 13.693 2.290 -1.631 1.00 0.00 C ATOM 452 CD2 LEU A 108 16.130 2.421 -1.124 1.00 0.00 C ATOM 0 H LEU A 108 14.364 5.949 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 108 16.855 4.490 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.085 3.440 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.584 2.532 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 108 14.910 4.123 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.534 2.072 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.831 2.828 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.819 1.356 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 108 15.925 2.296 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.260 1.442 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.040 3.007 -1.252 1.00 0.00 H new ATOM 464 N PRO A 109 16.219 3.919 -6.181 1.00 0.00 N ATOM 465 CA PRO A 109 15.842 3.911 -7.584 1.00 0.00 C ATOM 466 C PRO A 109 14.321 3.959 -7.774 1.00 0.00 C ATOM 467 O PRO A 109 13.569 3.427 -6.962 1.00 0.00 O ATOM 468 CB PRO A 109 16.473 2.643 -8.160 1.00 0.00 C ATOM 469 CG PRO A 109 17.736 2.495 -7.307 1.00 0.00 C ATOM 470 CD PRO A 109 17.287 2.969 -5.922 1.00 0.00 C ATOM 0 HA PRO A 109 16.200 4.799 -8.105 1.00 0.00 H new ATOM 0 HB2 PRO A 109 15.814 1.780 -8.064 1.00 0.00 H new ATOM 0 HB3 PRO A 109 16.707 2.750 -9.219 1.00 0.00 H new ATOM 0 HG2 PRO A 109 18.087 1.463 -7.284 1.00 0.00 H new ATOM 0 HG3 PRO A 109 18.555 3.102 -7.693 1.00 0.00 H new ATOM 0 HD2 PRO A 109 16.936 2.136 -5.314 1.00 0.00 H new ATOM 0 HD3 PRO A 109 18.108 3.436 -5.379 1.00 0.00 H new ATOM 478 N LYS A 110 13.873 4.604 -8.852 1.00 0.00 N ATOM 479 CA LYS A 110 12.478 4.660 -9.266 1.00 0.00 C ATOM 480 C LYS A 110 11.927 3.239 -9.305 1.00 0.00 C ATOM 481 O LYS A 110 10.849 2.947 -8.799 1.00 0.00 O ATOM 482 CB LYS A 110 12.382 5.318 -10.648 1.00 0.00 C ATOM 483 CG LYS A 110 13.228 4.711 -11.779 1.00 0.00 C ATOM 484 CD LYS A 110 13.164 5.612 -13.018 1.00 0.00 C ATOM 485 CE LYS A 110 14.023 5.066 -14.163 1.00 0.00 C ATOM 486 NZ LYS A 110 13.524 3.775 -14.666 1.00 0.00 N ATOM 0 H LYS A 110 14.494 5.117 -9.478 1.00 0.00 H new ATOM 0 HA LYS A 110 11.893 5.253 -8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 110 11.338 5.297 -10.960 1.00 0.00 H new ATOM 0 HB3 LYS A 110 12.662 6.366 -10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 110 14.262 4.600 -11.452 1.00 0.00 H new ATOM 0 HG3 LYS A 110 12.862 3.714 -12.024 1.00 0.00 H new ATOM 0 HD2 LYS A 110 12.130 5.701 -13.350 1.00 0.00 H new ATOM 0 HD3 LYS A 110 13.502 6.615 -12.756 1.00 0.00 H new ATOM 0 HE2 LYS A 110 14.041 5.789 -14.978 1.00 0.00 H new ATOM 0 HE3 LYS A 110 15.051 4.947 -13.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 14.061 3.502 -15.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 13.641 3.048 -13.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 12.516 3.863 -14.908 1.00 0.00 H new ATOM 500 N ASP A 111 12.744 2.379 -9.907 1.00 0.00 N ATOM 501 CA ASP A 111 12.605 0.942 -10.035 1.00 0.00 C ATOM 502 C ASP A 111 12.571 0.223 -8.680 1.00 0.00 C ATOM 503 O ASP A 111 12.000 -0.860 -8.604 1.00 0.00 O ATOM 504 CB ASP A 111 13.805 0.432 -10.838 1.00 0.00 C ATOM 505 CG ASP A 111 13.625 -1.019 -11.278 1.00 0.00 C ATOM 506 OD1 ASP A 111 12.873 -1.228 -12.255 1.00 0.00 O ATOM 507 OD2 ASP A 111 14.236 -1.893 -10.626 1.00 0.00 O ATOM 0 H ASP A 111 13.598 2.707 -10.358 1.00 0.00 H new ATOM 0 HA ASP A 111 11.657 0.732 -10.530 1.00 0.00 H new ATOM 0 HB2 ASP A 111 13.948 1.062 -11.716 1.00 0.00 H new ATOM 0 HB3 ASP A 111 14.708 0.518 -10.234 1.00 0.00 H new ATOM 512 N ALA A 112 13.180 0.791 -7.627 1.00 0.00 N ATOM 513 CA ALA A 112 13.278 0.177 -6.309 1.00 0.00 C ATOM 514 C ALA A 112 12.079 0.584 -5.455 1.00 0.00 C ATOM 515 O ALA A 112 11.661 -0.188 -4.601 1.00 0.00 O ATOM 516 CB ALA A 112 14.580 0.595 -5.633 1.00 0.00 C ATOM 0 H ALA A 112 13.624 1.708 -7.677 1.00 0.00 H new ATOM 0 HA ALA A 112 13.277 -0.907 -6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 112 14.644 0.131 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.425 0.274 -6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 112 14.602 1.679 -5.525 1.00 0.00 H new ATOM 522 N VAL A 113 11.529 1.781 -5.696 1.00 0.00 N ATOM 523 CA VAL A 113 10.341 2.355 -5.128 1.00 0.00 C ATOM 524 C VAL A 113 9.156 1.650 -5.797 1.00 0.00 C ATOM 525 O VAL A 113 8.163 1.346 -5.137 1.00 0.00 O ATOM 526 CB VAL A 113 10.482 3.877 -5.358 1.00 0.00 C ATOM 527 CG1 VAL A 113 9.155 4.619 -5.331 1.00 0.00 C ATOM 528 CG2 VAL A 113 11.432 4.416 -4.275 1.00 0.00 C ATOM 0 H VAL A 113 11.962 2.421 -6.362 1.00 0.00 H new ATOM 0 HA VAL A 113 10.183 2.219 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 113 10.880 4.045 -6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.329 5.682 -5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.504 4.229 -6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.679 4.478 -4.360 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.558 5.491 -4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 113 11.012 4.215 -3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 113 12.401 3.924 -4.363 1.00 0.00 H new ATOM 538 N ASP A 114 9.295 1.334 -7.093 1.00 0.00 N ATOM 539 CA ASP A 114 8.338 0.543 -7.843 1.00 0.00 C ATOM 540 C ASP A 114 8.390 -0.875 -7.289 1.00 0.00 C ATOM 541 O ASP A 114 7.347 -1.459 -7.014 1.00 0.00 O ATOM 542 CB ASP A 114 8.699 0.537 -9.332 1.00 0.00 C ATOM 543 CG ASP A 114 7.814 -0.418 -10.134 1.00 0.00 C ATOM 544 OD1 ASP A 114 6.661 -0.031 -10.423 1.00 0.00 O ATOM 545 OD2 ASP A 114 8.302 -1.529 -10.438 1.00 0.00 O ATOM 0 H ASP A 114 10.096 1.632 -7.650 1.00 0.00 H new ATOM 0 HA ASP A 114 7.337 0.963 -7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 114 8.600 1.546 -9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 114 9.743 0.248 -9.450 1.00 0.00 H new ATOM 550 N SER A 115 9.607 -1.408 -7.099 1.00 0.00 N ATOM 551 CA SER A 115 9.811 -2.709 -6.488 1.00 0.00 C ATOM 552 C SER A 115 9.265 -2.713 -5.061 1.00 0.00 C ATOM 553 O SER A 115 8.827 -3.773 -4.617 1.00 0.00 O ATOM 554 CB SER A 115 11.293 -3.090 -6.477 1.00 0.00 C ATOM 555 OG SER A 115 11.446 -4.408 -5.998 1.00 0.00 O ATOM 0 H SER A 115 10.472 -0.940 -7.369 1.00 0.00 H new ATOM 0 HA SER A 115 9.273 -3.446 -7.083 1.00 0.00 H new ATOM 0 HB2 SER A 115 11.706 -3.009 -7.483 1.00 0.00 H new ATOM 0 HB3 SER A 115 11.851 -2.398 -5.847 1.00 0.00 H new ATOM 0 HG SER A 115 12.397 -4.647 -5.995 1.00 0.00 H new ATOM 561 N ALA A 116 9.265 -1.573 -4.338 1.00 0.00 N ATOM 562 CA ALA A 116 8.765 -1.571 -2.982 1.00 0.00 C ATOM 563 C ALA A 116 7.236 -1.901 -3.089 1.00 0.00 C ATOM 564 O ALA A 116 6.760 -2.908 -2.546 1.00 0.00 O ATOM 565 CB ALA A 116 9.250 -0.237 -2.330 1.00 0.00 C ATOM 0 H ALA A 116 9.601 -0.671 -4.676 1.00 0.00 H new ATOM 0 HA ALA A 116 9.139 -2.325 -2.290 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.897 -0.186 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.339 -0.201 -2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.853 0.608 -2.892 1.00 0.00 H new ATOM 571 N VAL A 117 6.477 -1.123 -3.877 1.00 0.00 N ATOM 572 CA VAL A 117 5.072 -1.314 -4.214 1.00 0.00 C ATOM 573 C VAL A 117 4.851 -2.745 -4.762 1.00 0.00 C ATOM 574 O VAL A 117 4.348 -3.568 -4.022 1.00 0.00 O ATOM 575 CB VAL A 117 4.714 -0.148 -5.156 1.00 0.00 C ATOM 576 CG1 VAL A 117 3.291 -0.274 -5.697 1.00 0.00 C ATOM 577 CG2 VAL A 117 4.859 1.191 -4.394 1.00 0.00 C ATOM 0 H VAL A 117 6.862 -0.290 -4.322 1.00 0.00 H new ATOM 0 HA VAL A 117 4.390 -1.272 -3.365 1.00 0.00 H new ATOM 0 HB VAL A 117 5.399 -0.178 -6.004 1.00 0.00 H new ATOM 0 HG11 VAL A 117 3.077 0.567 -6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 117 3.195 -1.206 -6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 117 2.585 -0.273 -4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.606 2.017 -5.059 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.186 1.196 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 117 5.887 1.304 -4.049 1.00 0.00 H new ATOM 587 N GLU A 118 5.219 -3.059 -6.010 1.00 0.00 N ATOM 588 CA GLU A 118 5.231 -4.356 -6.723 1.00 0.00 C ATOM 589 C GLU A 118 5.413 -5.588 -5.827 1.00 0.00 C ATOM 590 O GLU A 118 4.822 -6.633 -6.096 1.00 0.00 O ATOM 591 CB GLU A 118 6.384 -4.305 -7.730 1.00 0.00 C ATOM 592 CG GLU A 118 6.415 -5.498 -8.690 1.00 0.00 C ATOM 593 CD GLU A 118 7.467 -5.271 -9.772 1.00 0.00 C ATOM 594 OE1 GLU A 118 8.628 -5.666 -9.530 1.00 0.00 O ATOM 595 OE2 GLU A 118 7.094 -4.694 -10.817 1.00 0.00 O ATOM 0 H GLU A 118 5.559 -2.321 -6.626 1.00 0.00 H new ATOM 0 HA GLU A 118 4.252 -4.477 -7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 118 6.308 -3.385 -8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 118 7.328 -4.262 -7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 118 6.639 -6.412 -8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 118 5.435 -5.633 -9.147 1.00 0.00 H new ATOM 602 N LYS A 119 6.218 -5.497 -4.765 1.00 0.00 N ATOM 603 CA LYS A 119 6.330 -6.603 -3.824 1.00 0.00 C ATOM 604 C LYS A 119 5.026 -6.668 -3.011 1.00 0.00 C ATOM 605 O LYS A 119 4.404 -7.729 -2.953 1.00 0.00 O ATOM 606 CB LYS A 119 7.579 -6.428 -2.954 1.00 0.00 C ATOM 607 CG LYS A 119 8.835 -6.883 -3.702 1.00 0.00 C ATOM 608 CD LYS A 119 10.081 -6.562 -2.871 1.00 0.00 C ATOM 609 CE LYS A 119 11.335 -7.104 -3.560 1.00 0.00 C ATOM 610 NZ LYS A 119 12.551 -6.751 -2.809 1.00 0.00 N ATOM 0 H LYS A 119 6.790 -4.683 -4.542 1.00 0.00 H new ATOM 0 HA LYS A 119 6.455 -7.555 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 119 7.682 -5.382 -2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 119 7.470 -7.003 -2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 119 8.784 -7.954 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.894 -6.384 -4.669 1.00 0.00 H new ATOM 0 HD2 LYS A 119 10.169 -5.484 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 119 9.986 -7.000 -1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.263 -8.188 -3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.400 -6.702 -4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.385 -7.132 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.630 -5.716 -2.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.498 -7.155 -1.852 1.00 0.00 H new ATOM 624 N ALA A 120 4.602 -5.551 -2.390 1.00 0.00 N ATOM 625 CA ALA A 120 3.326 -5.415 -1.671 1.00 0.00 C ATOM 626 C ALA A 120 2.255 -6.194 -2.440 1.00 0.00 C ATOM 627 O ALA A 120 1.690 -7.155 -1.923 1.00 0.00 O ATOM 628 CB ALA A 120 2.938 -3.944 -1.483 1.00 0.00 C ATOM 0 H ALA A 120 5.156 -4.695 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 120 3.424 -5.829 -0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 120 1.990 -3.883 -0.948 1.00 0.00 H new ATOM 0 HB2 ALA A 120 3.712 -3.434 -0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 120 2.836 -3.467 -2.458 1.00 0.00 H new ATOM 634 N LEU A 121 2.006 -5.788 -3.691 1.00 0.00 N ATOM 635 CA LEU A 121 1.132 -6.463 -4.643 1.00 0.00 C ATOM 636 C LEU A 121 1.273 -7.973 -4.633 1.00 0.00 C ATOM 637 O LEU A 121 0.292 -8.710 -4.616 1.00 0.00 O ATOM 638 CB LEU A 121 1.541 -6.025 -6.046 1.00 0.00 C ATOM 639 CG LEU A 121 1.079 -4.668 -6.532 1.00 0.00 C ATOM 640 CD1 LEU A 121 -0.218 -4.279 -5.872 1.00 0.00 C ATOM 641 CD2 LEU A 121 1.932 -3.439 -6.203 1.00 0.00 C ATOM 0 H LEU A 121 2.428 -4.944 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 121 0.111 -6.202 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.630 -6.045 -6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.175 -6.773 -6.749 1.00 0.00 H new ATOM 0 HG LEU A 121 1.078 -4.849 -7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.532 -3.301 -6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.983 -5.018 -6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.078 -4.237 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.464 -2.548 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.013 -3.332 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 121 2.927 -3.561 -6.631 1.00 0.00 H new ATOM 653 N LYS A 122 2.531 -8.383 -4.727 1.00 0.00 N ATOM 654 CA LYS A 122 2.937 -9.779 -4.857 1.00 0.00 C ATOM 655 C LYS A 122 2.244 -10.647 -3.804 1.00 0.00 C ATOM 656 O LYS A 122 1.616 -11.624 -4.212 1.00 0.00 O ATOM 657 CB LYS A 122 4.462 -9.948 -4.782 1.00 0.00 C ATOM 658 CG LYS A 122 4.895 -11.308 -5.338 1.00 0.00 C ATOM 659 CD LYS A 122 6.418 -11.449 -5.231 1.00 0.00 C ATOM 660 CE LYS A 122 6.907 -12.785 -5.796 1.00 0.00 C ATOM 661 NZ LYS A 122 6.426 -13.930 -5.003 1.00 0.00 N ATOM 0 H LYS A 122 3.320 -7.737 -4.715 1.00 0.00 H new ATOM 0 HA LYS A 122 2.624 -10.113 -5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.947 -9.151 -5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.791 -9.854 -3.747 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.406 -12.110 -4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.584 -11.402 -6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.897 -10.630 -5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.718 -11.364 -4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.566 -12.889 -6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.997 -12.792 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.874 -14.803 -5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.670 -13.786 -4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 5.394 -14.010 -5.099 1.00 0.00 H new ATOM 675 N VAL A 123 2.303 -10.325 -2.491 1.00 0.00 N ATOM 676 CA VAL A 123 1.582 -11.200 -1.554 1.00 0.00 C ATOM 677 C VAL A 123 0.127 -10.778 -1.489 1.00 0.00 C ATOM 678 O VAL A 123 -0.682 -11.691 -1.352 1.00 0.00 O ATOM 679 CB VAL A 123 2.242 -11.339 -0.192 1.00 0.00 C ATOM 680 CG1 VAL A 123 1.288 -12.030 0.797 1.00 0.00 C ATOM 681 CG2 VAL A 123 3.472 -12.225 -0.414 1.00 0.00 C ATOM 0 H VAL A 123 2.800 -9.532 -2.085 1.00 0.00 H new ATOM 0 HA VAL A 123 1.628 -12.216 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 123 2.504 -10.365 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.775 -12.122 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 123 0.380 -11.436 0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 123 1.032 -13.022 0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 123 3.995 -12.365 0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 123 3.157 -13.194 -0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.140 -11.747 -1.130 1.00 0.00 H new ATOM 691 N TRP A 124 -0.243 -9.484 -1.601 1.00 0.00 N ATOM 692 CA TRP A 124 -1.688 -9.176 -1.698 1.00 0.00 C ATOM 693 C TRP A 124 -2.397 -10.131 -2.678 1.00 0.00 C ATOM 694 O TRP A 124 -3.582 -10.398 -2.515 1.00 0.00 O ATOM 695 CB TRP A 124 -1.971 -7.792 -2.302 1.00 0.00 C ATOM 696 CG TRP A 124 -1.685 -6.628 -1.446 1.00 0.00 C ATOM 697 CD1 TRP A 124 -0.786 -5.662 -1.682 1.00 0.00 C ATOM 698 CD2 TRP A 124 -2.396 -6.201 -0.267 1.00 0.00 C ATOM 699 NE1 TRP A 124 -0.684 -4.843 -0.596 1.00 0.00 N ATOM 700 CE2 TRP A 124 -1.674 -5.124 0.308 1.00 0.00 C ATOM 701 CE3 TRP A 124 -3.594 -6.589 0.358 1.00 0.00 C ATOM 702 CZ2 TRP A 124 -2.046 -4.542 1.511 1.00 0.00 C ATOM 703 CZ3 TRP A 124 -3.963 -6.014 1.582 1.00 0.00 C ATOM 704 CH2 TRP A 124 -3.128 -5.076 2.206 1.00 0.00 C ATOM 0 H TRP A 124 0.389 -8.684 -1.626 1.00 0.00 H new ATOM 0 HA TRP A 124 -2.042 -9.254 -0.670 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -1.387 -7.694 -3.217 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -3.022 -7.754 -2.589 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -0.225 -5.549 -2.598 1.00 0.00 H new ATOM 0 HE1 TRP A 124 0.028 -4.123 -0.474 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -4.230 -7.330 -0.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -1.507 -3.691 1.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -4.896 -6.295 2.047 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -3.324 -4.769 3.223 1.00 0.00 H new ATOM 715 N GLU A 125 -1.676 -10.640 -3.689 1.00 0.00 N ATOM 716 CA GLU A 125 -2.261 -11.515 -4.719 1.00 0.00 C ATOM 717 C GLU A 125 -2.284 -12.981 -4.280 1.00 0.00 C ATOM 718 O GLU A 125 -3.127 -13.749 -4.738 1.00 0.00 O ATOM 719 CB GLU A 125 -1.457 -11.301 -6.001 1.00 0.00 C ATOM 720 CG GLU A 125 -1.209 -12.527 -6.888 1.00 0.00 C ATOM 721 CD GLU A 125 -0.354 -12.172 -8.107 1.00 0.00 C ATOM 722 OE1 GLU A 125 -0.497 -11.035 -8.609 1.00 0.00 O ATOM 723 OE2 GLU A 125 0.430 -13.052 -8.522 1.00 0.00 O ATOM 0 H GLU A 125 -0.680 -10.459 -3.816 1.00 0.00 H new ATOM 0 HA GLU A 125 -3.306 -11.258 -4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -1.971 -10.550 -6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.489 -10.882 -5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.712 -13.304 -6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.163 -12.938 -7.218 1.00 0.00 H new ATOM 730 N GLU A 126 -1.371 -13.373 -3.391 1.00 0.00 N ATOM 731 CA GLU A 126 -1.341 -14.695 -2.794 1.00 0.00 C ATOM 732 C GLU A 126 -2.601 -14.891 -1.949 1.00 0.00 C ATOM 733 O GLU A 126 -3.242 -15.938 -2.031 1.00 0.00 O ATOM 734 CB GLU A 126 -0.098 -14.797 -1.909 1.00 0.00 C ATOM 735 CG GLU A 126 0.174 -16.213 -1.396 1.00 0.00 C ATOM 736 CD GLU A 126 1.363 -16.209 -0.437 1.00 0.00 C ATOM 737 OE1 GLU A 126 1.139 -15.864 0.744 1.00 0.00 O ATOM 738 OE2 GLU A 126 2.477 -16.539 -0.901 1.00 0.00 O ATOM 0 H GLU A 126 -0.621 -12.764 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 126 -1.307 -15.464 -3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 126 0.768 -14.451 -2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.213 -14.127 -1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -0.710 -16.600 -0.889 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.377 -16.879 -2.235 1.00 0.00 H new ATOM 745 N VAL A 127 -2.943 -13.878 -1.136 1.00 0.00 N ATOM 746 CA VAL A 127 -4.045 -13.953 -0.191 1.00 0.00 C ATOM 747 C VAL A 127 -5.385 -13.905 -0.939 1.00 0.00 C ATOM 748 O VAL A 127 -6.076 -14.922 -0.929 1.00 0.00 O ATOM 749 CB VAL A 127 -3.867 -12.899 0.920 1.00 0.00 C ATOM 750 CG1 VAL A 127 -2.647 -13.311 1.758 1.00 0.00 C ATOM 751 CG2 VAL A 127 -3.674 -11.446 0.436 1.00 0.00 C ATOM 0 H VAL A 127 -2.453 -12.983 -1.124 1.00 0.00 H new ATOM 0 HA VAL A 127 -4.046 -14.911 0.330 1.00 0.00 H new ATOM 0 HB VAL A 127 -4.798 -12.887 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -2.492 -12.585 2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -2.820 -14.296 2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -1.763 -13.345 1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -3.559 -10.788 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -2.783 -11.386 -0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -4.544 -11.137 -0.143 1.00 0.00 H new ATOM 761 N THR A 128 -5.782 -12.804 -1.599 1.00 0.00 N ATOM 762 CA THR A 128 -6.951 -12.768 -2.407 1.00 0.00 C ATOM 763 C THR A 128 -6.464 -13.285 -3.775 1.00 0.00 C ATOM 764 O THR A 128 -5.568 -12.662 -4.339 1.00 0.00 O ATOM 765 CB THR A 128 -7.525 -11.357 -2.530 1.00 0.00 C ATOM 766 OG1 THR A 128 -8.267 -11.326 -3.722 1.00 0.00 O ATOM 767 CG2 THR A 128 -6.532 -10.191 -2.583 1.00 0.00 C ATOM 0 H THR A 128 -5.276 -11.919 -1.568 1.00 0.00 H new ATOM 0 HA THR A 128 -7.759 -13.364 -1.984 1.00 0.00 H new ATOM 0 HB THR A 128 -8.091 -11.197 -1.612 1.00 0.00 H new ATOM 0 HG1 THR A 128 -8.602 -12.225 -3.922 1.00 0.00 H new ATOM 0 HG21 THR A 128 -7.078 -9.252 -2.670 1.00 0.00 H new ATOM 0 HG22 THR A 128 -5.935 -10.180 -1.671 1.00 0.00 H new ATOM 0 HG23 THR A 128 -5.876 -10.311 -3.445 1.00 0.00 H new ATOM 775 N PRO A 129 -7.061 -14.350 -4.334 1.00 0.00 N ATOM 776 CA PRO A 129 -7.477 -14.617 -5.711 1.00 0.00 C ATOM 777 C PRO A 129 -7.263 -13.543 -6.755 1.00 0.00 C ATOM 778 O PRO A 129 -7.080 -13.871 -7.928 1.00 0.00 O ATOM 779 CB PRO A 129 -8.930 -14.936 -5.443 1.00 0.00 C ATOM 780 CG PRO A 129 -8.668 -16.110 -4.492 1.00 0.00 C ATOM 781 CD PRO A 129 -7.684 -15.387 -3.564 1.00 0.00 C ATOM 0 HA PRO A 129 -6.873 -15.385 -6.194 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -9.475 -14.115 -4.977 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -9.484 -15.219 -6.338 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -9.566 -16.456 -3.980 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -8.231 -16.976 -4.989 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -8.204 -14.967 -2.703 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -6.938 -16.081 -3.178 1.00 0.00 H new ATOM 789 N LEU A 130 -7.248 -12.281 -6.333 1.00 0.00 N ATOM 790 CA LEU A 130 -6.903 -11.188 -7.197 1.00 0.00 C ATOM 791 C LEU A 130 -5.490 -11.471 -7.673 1.00 0.00 C ATOM 792 O LEU A 130 -4.726 -12.293 -7.163 1.00 0.00 O ATOM 793 CB LEU A 130 -6.842 -9.816 -6.498 1.00 0.00 C ATOM 794 CG LEU A 130 -8.061 -8.881 -6.525 1.00 0.00 C ATOM 795 CD1 LEU A 130 -9.098 -9.235 -5.466 1.00 0.00 C ATOM 796 CD2 LEU A 130 -7.550 -7.475 -6.197 1.00 0.00 C ATOM 0 H LEU A 130 -7.477 -12.002 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 130 -7.666 -11.128 -7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -6.596 -9.997 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.005 -9.269 -6.932 1.00 0.00 H new ATOM 0 HG LEU A 130 -8.533 -8.963 -7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -9.936 -8.542 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -9.454 -10.252 -5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -8.646 -9.165 -4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -8.384 -6.774 -6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -7.087 -7.477 -5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -6.815 -7.172 -6.942 1.00 0.00 H new ATOM 808 N THR A 131 -5.204 -10.703 -8.691 1.00 0.00 N ATOM 809 CA THR A 131 -3.915 -10.606 -9.324 1.00 0.00 C ATOM 810 C THR A 131 -3.707 -9.166 -9.661 1.00 0.00 C ATOM 811 O THR A 131 -4.394 -8.597 -10.502 1.00 0.00 O ATOM 812 CB THR A 131 -3.760 -11.435 -10.584 1.00 0.00 C ATOM 813 OG1 THR A 131 -4.903 -11.401 -11.407 1.00 0.00 O ATOM 814 CG2 THR A 131 -3.480 -12.855 -10.157 1.00 0.00 C ATOM 0 H THR A 131 -5.901 -10.096 -9.124 1.00 0.00 H new ATOM 0 HA THR A 131 -3.176 -11.001 -8.627 1.00 0.00 H new ATOM 0 HB THR A 131 -2.945 -11.021 -11.177 1.00 0.00 H new ATOM 0 HG1 THR A 131 -4.724 -11.893 -12.236 1.00 0.00 H new ATOM 0 HG21 THR A 131 -3.362 -13.484 -11.040 1.00 0.00 H new ATOM 0 HG22 THR A 131 -2.564 -12.883 -9.566 1.00 0.00 H new ATOM 0 HG23 THR A 131 -4.311 -13.225 -9.556 1.00 0.00 H new ATOM 822 N PHE A 132 -2.726 -8.614 -8.971 1.00 0.00 N ATOM 823 CA PHE A 132 -2.312 -7.254 -9.208 1.00 0.00 C ATOM 824 C PHE A 132 -1.091 -7.281 -10.108 1.00 0.00 C ATOM 825 O PHE A 132 -0.317 -8.238 -10.131 1.00 0.00 O ATOM 826 CB PHE A 132 -1.957 -6.487 -7.948 1.00 0.00 C ATOM 827 CG PHE A 132 -3.017 -6.470 -6.866 1.00 0.00 C ATOM 828 CD1 PHE A 132 -3.190 -7.586 -6.031 1.00 0.00 C ATOM 829 CD2 PHE A 132 -3.770 -5.302 -6.638 1.00 0.00 C ATOM 830 CE1 PHE A 132 -4.102 -7.536 -4.965 1.00 0.00 C ATOM 831 CE2 PHE A 132 -4.621 -5.224 -5.522 1.00 0.00 C ATOM 832 CZ PHE A 132 -4.769 -6.334 -4.672 1.00 0.00 C ATOM 0 H PHE A 132 -2.202 -9.094 -8.239 1.00 0.00 H new ATOM 0 HA PHE A 132 -3.160 -6.740 -9.661 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -1.045 -6.914 -7.530 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -1.730 -5.457 -8.224 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -2.620 -8.485 -6.210 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -3.694 -4.468 -7.319 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -4.291 -8.419 -4.372 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -5.161 -4.311 -5.318 1.00 0.00 H new ATOM 0 HZ PHE A 132 -5.395 -6.263 -3.795 1.00 0.00 H new ATOM 842 N SER A 133 -0.936 -6.168 -10.808 1.00 0.00 N ATOM 843 CA SER A 133 0.219 -5.898 -11.669 1.00 0.00 C ATOM 844 C SER A 133 0.236 -4.427 -12.084 1.00 0.00 C ATOM 845 O SER A 133 -0.772 -3.755 -11.946 1.00 0.00 O ATOM 846 CB SER A 133 0.141 -6.789 -12.915 1.00 0.00 C ATOM 847 OG SER A 133 1.263 -6.596 -13.749 1.00 0.00 O ATOM 0 H SER A 133 -1.618 -5.410 -10.798 1.00 0.00 H new ATOM 0 HA SER A 133 1.135 -6.116 -11.120 1.00 0.00 H new ATOM 0 HB2 SER A 133 0.083 -7.835 -12.615 1.00 0.00 H new ATOM 0 HB3 SER A 133 -0.771 -6.565 -13.469 1.00 0.00 H new ATOM 0 HG SER A 133 1.190 -7.177 -14.535 1.00 0.00 H new ATOM 853 N ARG A 134 1.357 -3.900 -12.594 1.00 0.00 N ATOM 854 CA ARG A 134 1.387 -2.526 -13.112 1.00 0.00 C ATOM 855 C ARG A 134 0.277 -2.282 -14.144 1.00 0.00 C ATOM 856 O ARG A 134 -0.265 -3.230 -14.713 1.00 0.00 O ATOM 857 CB ARG A 134 2.693 -2.183 -13.812 1.00 0.00 C ATOM 858 CG ARG A 134 3.871 -2.112 -12.844 1.00 0.00 C ATOM 859 CD ARG A 134 5.037 -1.277 -13.383 1.00 0.00 C ATOM 860 NE ARG A 134 4.720 0.158 -13.312 1.00 0.00 N ATOM 861 CZ ARG A 134 5.612 1.163 -13.297 1.00 0.00 C ATOM 862 NH1 ARG A 134 6.928 0.931 -13.424 1.00 0.00 N ATOM 863 NH2 ARG A 134 5.180 2.423 -13.151 1.00 0.00 N ATOM 0 H ARG A 134 2.245 -4.397 -12.659 1.00 0.00 H new ATOM 0 HA ARG A 134 1.256 -1.901 -12.228 1.00 0.00 H new ATOM 0 HB2 ARG A 134 2.900 -2.932 -14.577 1.00 0.00 H new ATOM 0 HB3 ARG A 134 2.588 -1.226 -14.323 1.00 0.00 H new ATOM 0 HG2 ARG A 134 3.533 -1.687 -11.899 1.00 0.00 H new ATOM 0 HG3 ARG A 134 4.222 -3.122 -12.632 1.00 0.00 H new ATOM 0 HD2 ARG A 134 5.938 -1.485 -12.806 1.00 0.00 H new ATOM 0 HD3 ARG A 134 5.247 -1.558 -14.415 1.00 0.00 H new ATOM 0 HE ARG A 134 3.733 0.413 -13.270 1.00 0.00 H new ATOM 0 HH11 ARG A 134 7.269 -0.024 -13.535 1.00 0.00 H new ATOM 0 HH12 ARG A 134 7.587 1.710 -13.410 1.00 0.00 H new ATOM 0 HH21 ARG A 134 4.183 2.612 -13.053 1.00 0.00 H new ATOM 0 HH22 ARG A 134 5.849 3.193 -13.138 1.00 0.00 H new ATOM 877 N LEU A 135 -0.046 -0.995 -14.356 1.00 0.00 N ATOM 878 CA LEU A 135 -1.154 -0.544 -15.198 1.00 0.00 C ATOM 879 C LEU A 135 -1.277 -1.316 -16.505 1.00 0.00 C ATOM 880 O LEU A 135 -0.337 -1.400 -17.295 1.00 0.00 O ATOM 881 CB LEU A 135 -1.061 0.946 -15.557 1.00 0.00 C ATOM 882 CG LEU A 135 -2.220 1.752 -14.949 1.00 0.00 C ATOM 883 CD1 LEU A 135 -2.054 3.227 -15.311 1.00 0.00 C ATOM 884 CD2 LEU A 135 -3.571 1.325 -15.517 1.00 0.00 C ATOM 0 H LEU A 135 0.472 -0.225 -13.934 1.00 0.00 H new ATOM 0 HA LEU A 135 -2.034 -0.729 -14.582 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -0.112 1.347 -15.200 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -1.068 1.060 -16.641 1.00 0.00 H new ATOM 0 HG LEU A 135 -2.196 1.579 -13.873 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -2.875 3.802 -14.881 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -1.107 3.594 -14.915 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -2.062 3.339 -16.395 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -4.362 1.920 -15.060 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -3.577 1.480 -16.596 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -3.740 0.270 -15.301 1.00 0.00 H new ATOM 896 N TYR A 136 -2.482 -1.845 -16.709 1.00 0.00 N ATOM 897 CA TYR A 136 -2.892 -2.513 -17.924 1.00 0.00 C ATOM 898 C TYR A 136 -3.343 -1.454 -18.939 1.00 0.00 C ATOM 899 O TYR A 136 -2.965 -1.544 -20.104 1.00 0.00 O ATOM 900 CB TYR A 136 -4.047 -3.481 -17.616 1.00 0.00 C ATOM 901 CG TYR A 136 -3.797 -4.536 -16.547 1.00 0.00 C ATOM 902 CD1 TYR A 136 -2.588 -5.258 -16.514 1.00 0.00 C ATOM 903 CD2 TYR A 136 -4.836 -4.892 -15.663 1.00 0.00 C ATOM 904 CE1 TYR A 136 -2.427 -6.330 -15.620 1.00 0.00 C ATOM 905 CE2 TYR A 136 -4.664 -5.948 -14.751 1.00 0.00 C ATOM 906 CZ TYR A 136 -3.457 -6.665 -14.723 1.00 0.00 C ATOM 907 OH TYR A 136 -3.292 -7.683 -13.829 1.00 0.00 O ATOM 0 H TYR A 136 -3.218 -1.815 -16.004 1.00 0.00 H new ATOM 0 HA TYR A 136 -2.061 -3.084 -18.338 1.00 0.00 H new ATOM 0 HB2 TYR A 136 -4.912 -2.891 -17.314 1.00 0.00 H new ATOM 0 HB3 TYR A 136 -4.316 -3.992 -18.540 1.00 0.00 H new ATOM 0 HD1 TYR A 136 -1.781 -4.986 -17.179 1.00 0.00 H new ATOM 0 HD2 TYR A 136 -5.770 -4.350 -15.687 1.00 0.00 H new ATOM 0 HE1 TYR A 136 -1.509 -6.899 -15.622 1.00 0.00 H new ATOM 0 HE2 TYR A 136 -5.462 -6.208 -14.071 1.00 0.00 H new ATOM 0 HH TYR A 136 -3.513 -7.367 -12.928 1.00 0.00 H new ATOM 917 N GLU A 137 -4.141 -0.470 -18.481 1.00 0.00 N ATOM 918 CA GLU A 137 -4.796 0.600 -19.245 1.00 0.00 C ATOM 919 C GLU A 137 -5.608 1.462 -18.269 1.00 0.00 C ATOM 920 O GLU A 137 -5.925 1.029 -17.161 1.00 0.00 O ATOM 921 CB GLU A 137 -5.828 0.115 -20.288 1.00 0.00 C ATOM 922 CG GLU A 137 -5.433 -0.948 -21.317 1.00 0.00 C ATOM 923 CD GLU A 137 -6.536 -1.131 -22.358 1.00 0.00 C ATOM 924 OE1 GLU A 137 -7.469 -1.911 -22.069 1.00 0.00 O ATOM 925 OE2 GLU A 137 -6.430 -0.483 -23.422 1.00 0.00 O ATOM 0 H GLU A 137 -4.359 -0.401 -17.487 1.00 0.00 H new ATOM 0 HA GLU A 137 -3.988 1.117 -19.763 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -6.688 -0.268 -19.739 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -6.167 0.991 -20.841 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -4.506 -0.656 -21.810 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -5.242 -1.895 -20.813 1.00 0.00 H new ATOM 932 N GLY A 138 -5.994 2.661 -18.717 1.00 0.00 N ATOM 933 CA GLY A 138 -6.844 3.596 -18.028 1.00 0.00 C ATOM 934 C GLY A 138 -6.334 3.911 -16.634 1.00 0.00 C ATOM 935 O GLY A 138 -5.151 4.144 -16.390 1.00 0.00 O ATOM 0 H GLY A 138 -5.695 3.011 -19.627 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -6.911 4.518 -18.606 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.852 3.187 -17.961 1.00 0.00 H new ATOM 939 N GLU A 139 -7.315 3.889 -15.749 1.00 0.00 N ATOM 940 CA GLU A 139 -7.199 4.037 -14.303 1.00 0.00 C ATOM 941 C GLU A 139 -6.874 2.682 -13.669 1.00 0.00 C ATOM 942 O GLU A 139 -6.951 1.647 -14.331 1.00 0.00 O ATOM 943 CB GLU A 139 -8.511 4.588 -13.728 1.00 0.00 C ATOM 944 CG GLU A 139 -8.779 6.024 -14.188 1.00 0.00 C ATOM 945 CD GLU A 139 -10.017 6.593 -13.498 1.00 0.00 C ATOM 946 OE1 GLU A 139 -9.883 6.979 -12.316 1.00 0.00 O ATOM 947 OE2 GLU A 139 -11.076 6.628 -14.162 1.00 0.00 O ATOM 0 H GLU A 139 -8.284 3.758 -16.040 1.00 0.00 H new ATOM 0 HA GLU A 139 -6.394 4.736 -14.077 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -9.339 3.948 -14.035 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.471 4.557 -12.639 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -7.914 6.649 -13.966 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -8.918 6.044 -15.269 1.00 0.00 H new ATOM 954 N ALA A 140 -6.507 2.702 -12.380 1.00 0.00 N ATOM 955 CA ALA A 140 -6.099 1.521 -11.630 1.00 0.00 C ATOM 956 C ALA A 140 -6.866 1.408 -10.312 1.00 0.00 C ATOM 957 O ALA A 140 -7.785 2.179 -10.039 1.00 0.00 O ATOM 958 CB ALA A 140 -4.593 1.605 -11.373 1.00 0.00 C ATOM 0 H ALA A 140 -6.487 3.558 -11.826 1.00 0.00 H new ATOM 0 HA ALA A 140 -6.328 0.628 -12.211 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -4.270 0.728 -10.812 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -4.063 1.642 -12.325 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -4.371 2.505 -10.799 1.00 0.00 H new ATOM 964 N ASP A 141 -6.463 0.426 -9.498 1.00 0.00 N ATOM 965 CA ASP A 141 -7.007 0.172 -8.176 1.00 0.00 C ATOM 966 C ASP A 141 -6.447 1.230 -7.222 1.00 0.00 C ATOM 967 O ASP A 141 -7.184 1.960 -6.566 1.00 0.00 O ATOM 968 CB ASP A 141 -6.617 -1.254 -7.748 1.00 0.00 C ATOM 969 CG ASP A 141 -7.332 -1.746 -6.489 1.00 0.00 C ATOM 970 OD1 ASP A 141 -7.311 -1.014 -5.475 1.00 0.00 O ATOM 971 OD2 ASP A 141 -7.872 -2.870 -6.554 1.00 0.00 O ATOM 0 H ASP A 141 -5.726 -0.230 -9.757 1.00 0.00 H new ATOM 0 HA ASP A 141 -8.095 0.238 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -6.834 -1.940 -8.567 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -5.541 -1.289 -7.579 1.00 0.00 H new ATOM 976 N ILE A 142 -5.115 1.273 -7.185 1.00 0.00 N ATOM 977 CA ILE A 142 -4.241 2.106 -6.373 1.00 0.00 C ATOM 978 C ILE A 142 -3.130 2.606 -7.276 1.00 0.00 C ATOM 979 O ILE A 142 -2.309 1.830 -7.767 1.00 0.00 O ATOM 980 CB ILE A 142 -3.766 1.313 -5.126 1.00 0.00 C ATOM 981 CG1 ILE A 142 -3.834 -0.222 -5.252 1.00 0.00 C ATOM 982 CG2 ILE A 142 -4.696 1.726 -4.028 1.00 0.00 C ATOM 983 CD1 ILE A 142 -2.791 -0.792 -6.199 1.00 0.00 C ATOM 0 H ILE A 142 -4.569 0.658 -7.789 1.00 0.00 H new ATOM 0 HA ILE A 142 -4.749 2.981 -5.967 1.00 0.00 H new ATOM 0 HB ILE A 142 -2.713 1.540 -4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 142 -3.702 -0.667 -4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 142 -4.826 -0.508 -5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 142 -4.426 1.207 -3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 142 -4.621 2.802 -3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 142 -5.719 1.470 -4.302 1.00 0.00 H new ATOM 0 HD11 ILE A 142 -2.893 -1.876 -6.243 1.00 0.00 H new ATOM 0 HD12 ILE A 142 -2.936 -0.374 -7.195 1.00 0.00 H new ATOM 0 HD13 ILE A 142 -1.794 -0.535 -5.840 1.00 0.00 H new ATOM 995 N MET A 143 -3.115 3.930 -7.492 1.00 0.00 N ATOM 996 CA MET A 143 -2.040 4.547 -8.244 1.00 0.00 C ATOM 997 C MET A 143 -1.479 5.527 -7.218 1.00 0.00 C ATOM 998 O MET A 143 -2.145 6.156 -6.380 1.00 0.00 O ATOM 999 CB MET A 143 -2.389 4.993 -9.697 1.00 0.00 C ATOM 1000 CG MET A 143 -2.825 6.404 -10.115 1.00 0.00 C ATOM 1001 SD MET A 143 -4.591 6.622 -10.357 1.00 0.00 S ATOM 1002 CE MET A 143 -4.936 5.873 -8.780 1.00 0.00 C ATOM 0 H MET A 143 -3.829 4.577 -7.157 1.00 0.00 H new ATOM 0 HA MET A 143 -1.248 3.881 -8.588 1.00 0.00 H new ATOM 0 HB2 MET A 143 -1.509 4.764 -10.297 1.00 0.00 H new ATOM 0 HB3 MET A 143 -3.184 4.326 -10.030 1.00 0.00 H new ATOM 0 HG2 MET A 143 -2.489 7.110 -9.355 1.00 0.00 H new ATOM 0 HG3 MET A 143 -2.313 6.665 -11.041 1.00 0.00 H new ATOM 0 HE1 MET A 143 -5.880 6.258 -8.393 1.00 0.00 H new ATOM 0 HE2 MET A 143 -5.006 4.792 -8.898 1.00 0.00 H new ATOM 0 HE3 MET A 143 -4.134 6.110 -8.081 1.00 0.00 H new ATOM 1012 N ILE A 144 -0.162 5.480 -7.245 1.00 0.00 N ATOM 1013 CA ILE A 144 0.711 6.115 -6.304 1.00 0.00 C ATOM 1014 C ILE A 144 1.697 7.100 -6.863 1.00 0.00 C ATOM 1015 O ILE A 144 2.535 6.820 -7.702 1.00 0.00 O ATOM 1016 CB ILE A 144 1.439 4.975 -5.626 1.00 0.00 C ATOM 1017 CG1 ILE A 144 0.427 4.344 -4.679 1.00 0.00 C ATOM 1018 CG2 ILE A 144 2.681 5.456 -4.877 1.00 0.00 C ATOM 1019 CD1 ILE A 144 0.088 2.923 -5.125 1.00 0.00 C ATOM 0 H ILE A 144 0.346 4.968 -7.967 1.00 0.00 H new ATOM 0 HA ILE A 144 0.107 6.733 -5.640 1.00 0.00 H new ATOM 0 HB ILE A 144 1.806 4.255 -6.357 1.00 0.00 H new ATOM 0 HG12 ILE A 144 0.830 4.327 -3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -0.480 4.948 -4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 144 3.173 4.606 -4.405 1.00 0.00 H new ATOM 0 HG22 ILE A 144 3.368 5.930 -5.578 1.00 0.00 H new ATOM 0 HG23 ILE A 144 2.389 6.176 -4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -0.636 2.489 -4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -0.336 2.948 -6.129 1.00 0.00 H new ATOM 0 HD13 ILE A 144 0.994 2.317 -5.129 1.00 0.00 H new ATOM 1031 N SER A 145 1.601 8.271 -6.278 1.00 0.00 N ATOM 1032 CA SER A 145 2.408 9.418 -6.598 1.00 0.00 C ATOM 1033 C SER A 145 3.463 9.584 -5.510 1.00 0.00 C ATOM 1034 O SER A 145 3.627 8.729 -4.637 1.00 0.00 O ATOM 1035 CB SER A 145 1.488 10.643 -6.701 1.00 0.00 C ATOM 1036 OG SER A 145 0.843 10.877 -5.465 1.00 0.00 O ATOM 0 H SER A 145 0.928 8.455 -5.534 1.00 0.00 H new ATOM 0 HA SER A 145 2.922 9.298 -7.552 1.00 0.00 H new ATOM 0 HB2 SER A 145 2.069 11.520 -6.988 1.00 0.00 H new ATOM 0 HB3 SER A 145 0.745 10.484 -7.482 1.00 0.00 H new ATOM 0 HG SER A 145 0.261 11.661 -5.543 1.00 0.00 H new ATOM 1042 N PHE A 146 4.173 10.709 -5.552 1.00 0.00 N ATOM 1043 CA PHE A 146 5.138 11.015 -4.509 1.00 0.00 C ATOM 1044 C PHE A 146 5.099 12.502 -4.172 1.00 0.00 C ATOM 1045 O PHE A 146 5.057 13.381 -5.031 1.00 0.00 O ATOM 1046 CB PHE A 146 6.508 10.526 -4.914 1.00 0.00 C ATOM 1047 CG PHE A 146 7.283 11.504 -5.747 1.00 0.00 C ATOM 1048 CD1 PHE A 146 6.773 12.027 -6.932 1.00 0.00 C ATOM 1049 CD2 PHE A 146 8.398 12.117 -5.199 1.00 0.00 C ATOM 1050 CE1 PHE A 146 7.581 12.837 -7.730 1.00 0.00 C ATOM 1051 CE2 PHE A 146 9.255 12.874 -5.988 1.00 0.00 C ATOM 1052 CZ PHE A 146 8.861 13.226 -7.290 1.00 0.00 C ATOM 0 H PHE A 146 4.098 11.412 -6.287 1.00 0.00 H new ATOM 0 HA PHE A 146 4.877 10.487 -3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 146 7.081 10.296 -4.016 1.00 0.00 H new ATOM 0 HB3 PHE A 146 6.400 9.595 -5.471 1.00 0.00 H new ATOM 0 HD1 PHE A 146 5.759 11.807 -7.231 1.00 0.00 H new ATOM 0 HD2 PHE A 146 8.604 12.005 -4.145 1.00 0.00 H new ATOM 0 HE1 PHE A 146 7.222 13.169 -8.693 1.00 0.00 H new ATOM 0 HE2 PHE A 146 10.214 13.189 -5.605 1.00 0.00 H new ATOM 0 HZ PHE A 146 9.524 13.781 -7.937 1.00 0.00 H new ATOM 1062 N ALA A 147 5.055 12.730 -2.868 1.00 0.00 N ATOM 1063 CA ALA A 147 5.063 14.029 -2.192 1.00 0.00 C ATOM 1064 C ALA A 147 5.019 13.763 -0.699 1.00 0.00 C ATOM 1065 O ALA A 147 4.863 12.612 -0.334 1.00 0.00 O ATOM 1066 CB ALA A 147 3.830 14.869 -2.544 1.00 0.00 C ATOM 0 H ALA A 147 5.009 11.959 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 147 5.954 14.575 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 147 3.878 15.824 -2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.805 15.046 -3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 147 2.928 14.335 -2.243 1.00 0.00 H new ATOM 1072 N VAL A 148 5.065 14.818 0.124 1.00 0.00 N ATOM 1073 CA VAL A 148 4.831 14.833 1.574 1.00 0.00 C ATOM 1074 C VAL A 148 5.131 16.164 2.182 1.00 0.00 C ATOM 1075 O VAL A 148 4.342 16.634 2.990 1.00 0.00 O ATOM 1076 CB VAL A 148 5.478 13.796 2.495 1.00 0.00 C ATOM 1077 CG1 VAL A 148 4.690 12.456 2.577 1.00 0.00 C ATOM 1078 CG2 VAL A 148 6.970 13.916 2.166 1.00 0.00 C ATOM 0 H VAL A 148 5.282 15.749 -0.231 1.00 0.00 H new ATOM 0 HA VAL A 148 3.776 14.559 1.545 1.00 0.00 H new ATOM 0 HB VAL A 148 5.415 13.944 3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 148 5.208 11.770 3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.686 12.647 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 148 4.623 12.012 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 148 7.535 13.210 2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 148 7.129 13.693 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 148 7.309 14.930 2.378 1.00 0.00 H new ATOM 1088 N ARG A 149 6.273 16.705 1.774 1.00 0.00 N ATOM 1089 CA ARG A 149 6.877 17.917 2.317 1.00 0.00 C ATOM 1090 C ARG A 149 5.896 19.087 2.187 1.00 0.00 C ATOM 1091 O ARG A 149 5.852 19.857 1.229 1.00 0.00 O ATOM 1092 CB ARG A 149 8.207 18.159 1.592 1.00 0.00 C ATOM 1093 CG ARG A 149 8.097 18.246 0.061 1.00 0.00 C ATOM 1094 CD ARG A 149 9.001 17.198 -0.596 1.00 0.00 C ATOM 1095 NE ARG A 149 8.911 17.255 -2.058 1.00 0.00 N ATOM 1096 CZ ARG A 149 9.579 18.105 -2.855 1.00 0.00 C ATOM 1097 NH1 ARG A 149 10.384 19.051 -2.348 1.00 0.00 N ATOM 1098 NH2 ARG A 149 9.438 18.002 -4.184 1.00 0.00 N ATOM 0 H ARG A 149 6.828 16.294 1.023 1.00 0.00 H new ATOM 0 HA ARG A 149 7.091 17.813 3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 149 8.645 19.085 1.964 1.00 0.00 H new ATOM 0 HB3 ARG A 149 8.897 17.355 1.848 1.00 0.00 H new ATOM 0 HG2 ARG A 149 7.063 18.088 -0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 149 8.381 19.243 -0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 149 10.034 17.361 -0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 149 8.718 16.204 -0.251 1.00 0.00 H new ATOM 0 HE ARG A 149 8.285 16.589 -2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 149 10.499 19.136 -1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 149 10.882 19.686 -2.973 1.00 0.00 H new ATOM 0 HH21 ARG A 149 8.829 17.285 -4.578 1.00 0.00 H new ATOM 0 HH22 ARG A 149 9.939 18.641 -4.801 1.00 0.00 H new ATOM 1112 N GLU A 150 5.096 19.114 3.263 1.00 0.00 N ATOM 1113 CA GLU A 150 3.938 19.888 3.652 1.00 0.00 C ATOM 1114 C GLU A 150 3.089 20.277 2.448 1.00 0.00 C ATOM 1115 O GLU A 150 3.055 21.409 1.971 1.00 0.00 O ATOM 1116 CB GLU A 150 4.371 21.005 4.579 1.00 0.00 C ATOM 1117 CG GLU A 150 5.340 22.046 4.004 1.00 0.00 C ATOM 1118 CD GLU A 150 5.743 23.051 5.078 1.00 0.00 C ATOM 1119 OE1 GLU A 150 6.724 22.756 5.795 1.00 0.00 O ATOM 1120 OE2 GLU A 150 5.061 24.095 5.167 1.00 0.00 O ATOM 0 H GLU A 150 5.305 18.457 4.015 1.00 0.00 H new ATOM 0 HA GLU A 150 3.243 19.287 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 150 3.478 21.526 4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 150 4.836 20.557 5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 150 6.227 21.548 3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.871 22.566 3.169 1.00 0.00 H new ATOM 1127 N HIS A 151 2.377 19.239 2.011 1.00 0.00 N ATOM 1128 CA HIS A 151 1.474 19.144 0.890 1.00 0.00 C ATOM 1129 C HIS A 151 0.035 19.476 1.312 1.00 0.00 C ATOM 1130 O HIS A 151 -0.659 20.202 0.603 1.00 0.00 O ATOM 1131 CB HIS A 151 1.620 17.695 0.448 1.00 0.00 C ATOM 1132 CG HIS A 151 0.913 17.263 -0.800 1.00 0.00 C ATOM 1133 ND1 HIS A 151 1.644 17.100 -1.968 1.00 0.00 N ATOM 1134 CD2 HIS A 151 -0.390 16.891 -0.956 1.00 0.00 C ATOM 1135 CE1 HIS A 151 0.737 16.474 -2.723 1.00 0.00 C ATOM 1136 NE2 HIS A 151 -0.468 16.231 -2.184 1.00 0.00 N ATOM 0 H HIS A 151 2.434 18.346 2.500 1.00 0.00 H new ATOM 0 HA HIS A 151 1.700 19.848 0.090 1.00 0.00 H new ATOM 0 HB2 HIS A 151 2.683 17.492 0.316 1.00 0.00 H new ATOM 0 HB3 HIS A 151 1.273 17.061 1.264 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -1.201 17.071 -0.266 1.00 0.00 H new ATOM 0 HE1 HIS A 151 0.966 16.173 -3.735 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -1.246 15.698 -2.574 1.00 0.00 H new ATOM 1143 N GLY A 152 -0.406 18.939 2.463 1.00 0.00 N ATOM 1144 CA GLY A 152 -1.735 19.153 3.028 1.00 0.00 C ATOM 1145 C GLY A 152 -2.703 18.090 2.513 1.00 0.00 C ATOM 1146 O GLY A 152 -3.413 18.331 1.538 1.00 0.00 O ATOM 0 H GLY A 152 0.175 18.328 3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -1.686 19.115 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -2.097 20.146 2.760 1.00 0.00 H new ATOM 1150 N ASP A 153 -2.718 16.918 3.167 1.00 0.00 N ATOM 1151 CA ASP A 153 -3.501 15.759 2.723 1.00 0.00 C ATOM 1152 C ASP A 153 -4.093 14.908 3.870 1.00 0.00 C ATOM 1153 O ASP A 153 -5.188 15.212 4.340 1.00 0.00 O ATOM 1154 CB ASP A 153 -2.560 14.926 1.822 1.00 0.00 C ATOM 1155 CG ASP A 153 -2.750 14.996 0.303 1.00 0.00 C ATOM 1156 OD1 ASP A 153 -3.698 15.673 -0.149 1.00 0.00 O ATOM 1157 OD2 ASP A 153 -1.924 14.353 -0.387 1.00 0.00 O ATOM 0 H ASP A 153 -2.185 16.749 4.020 1.00 0.00 H new ATOM 0 HA ASP A 153 -4.384 16.107 2.186 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -1.536 15.229 2.042 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -2.654 13.882 2.120 1.00 0.00 H new ATOM 1162 N PHE A 154 -3.403 13.830 4.287 1.00 0.00 N ATOM 1163 CA PHE A 154 -3.839 12.818 5.246 1.00 0.00 C ATOM 1164 C PHE A 154 -2.881 12.743 6.448 1.00 0.00 C ATOM 1165 O PHE A 154 -3.150 13.395 7.456 1.00 0.00 O ATOM 1166 CB PHE A 154 -3.932 11.510 4.441 1.00 0.00 C ATOM 1167 CG PHE A 154 -4.547 10.309 5.129 1.00 0.00 C ATOM 1168 CD1 PHE A 154 -5.934 10.291 5.366 1.00 0.00 C ATOM 1169 CD2 PHE A 154 -3.821 9.105 5.204 1.00 0.00 C ATOM 1170 CE1 PHE A 154 -6.564 9.111 5.800 1.00 0.00 C ATOM 1171 CE2 PHE A 154 -4.459 7.914 5.589 1.00 0.00 C ATOM 1172 CZ PHE A 154 -5.824 7.923 5.918 1.00 0.00 C ATOM 0 H PHE A 154 -2.465 13.637 3.935 1.00 0.00 H new ATOM 0 HA PHE A 154 -4.806 13.049 5.694 1.00 0.00 H new ATOM 0 HB2 PHE A 154 -4.507 11.711 3.537 1.00 0.00 H new ATOM 0 HB3 PHE A 154 -2.925 11.237 4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -6.517 11.187 5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 154 -2.768 9.097 4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -7.616 9.118 6.042 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -3.899 6.991 5.632 1.00 0.00 H new ATOM 0 HZ PHE A 154 -6.304 7.018 6.261 1.00 0.00 H new ATOM 1182 N TYR A 155 -1.773 11.981 6.355 1.00 0.00 N ATOM 1183 CA TYR A 155 -0.723 11.907 7.378 1.00 0.00 C ATOM 1184 C TYR A 155 0.629 12.478 6.891 1.00 0.00 C ATOM 1185 O TYR A 155 1.656 11.852 7.157 1.00 0.00 O ATOM 1186 CB TYR A 155 -0.482 10.435 7.767 1.00 0.00 C ATOM 1187 CG TYR A 155 -1.683 9.561 8.099 1.00 0.00 C ATOM 1188 CD1 TYR A 155 -2.812 10.085 8.757 1.00 0.00 C ATOM 1189 CD2 TYR A 155 -1.607 8.176 7.851 1.00 0.00 C ATOM 1190 CE1 TYR A 155 -3.878 9.239 9.112 1.00 0.00 C ATOM 1191 CE2 TYR A 155 -2.651 7.324 8.250 1.00 0.00 C ATOM 1192 CZ TYR A 155 -3.796 7.857 8.865 1.00 0.00 C ATOM 1193 OH TYR A 155 -4.827 7.037 9.220 1.00 0.00 O ATOM 0 H TYR A 155 -1.584 11.389 5.547 1.00 0.00 H new ATOM 0 HA TYR A 155 -1.073 12.502 8.222 1.00 0.00 H new ATOM 0 HB2 TYR A 155 0.056 9.960 6.946 1.00 0.00 H new ATOM 0 HB3 TYR A 155 0.182 10.426 8.631 1.00 0.00 H new ATOM 0 HD1 TYR A 155 -2.860 11.139 8.990 1.00 0.00 H new ATOM 0 HD2 TYR A 155 -0.741 7.767 7.351 1.00 0.00 H new ATOM 0 HE1 TYR A 155 -4.762 9.652 9.575 1.00 0.00 H new ATOM 0 HE2 TYR A 155 -2.573 6.260 8.084 1.00 0.00 H new ATOM 0 HH TYR A 155 -4.519 6.107 9.222 1.00 0.00 H new ATOM 1203 N PRO A 156 0.709 13.617 6.179 1.00 0.00 N ATOM 1204 CA PRO A 156 1.941 13.958 5.496 1.00 0.00 C ATOM 1205 C PRO A 156 3.093 14.397 6.372 1.00 0.00 C ATOM 1206 O PRO A 156 3.089 14.367 7.602 1.00 0.00 O ATOM 1207 CB PRO A 156 1.645 15.157 4.581 1.00 0.00 C ATOM 1208 CG PRO A 156 0.219 15.591 4.892 1.00 0.00 C ATOM 1209 CD PRO A 156 -0.382 14.443 5.694 1.00 0.00 C ATOM 0 HA PRO A 156 2.250 13.040 4.996 1.00 0.00 H new ATOM 0 HB2 PRO A 156 2.348 15.970 4.766 1.00 0.00 H new ATOM 0 HB3 PRO A 156 1.747 14.880 3.532 1.00 0.00 H new ATOM 0 HG2 PRO A 156 0.206 16.520 5.463 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -0.346 15.771 3.978 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -0.969 14.827 6.528 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -1.057 13.856 5.072 1.00 0.00 H new ATOM 1217 N PHE A 157 4.050 14.864 5.580 1.00 0.00 N ATOM 1218 CA PHE A 157 5.289 15.547 5.933 1.00 0.00 C ATOM 1219 C PHE A 157 6.039 15.177 7.216 1.00 0.00 C ATOM 1220 O PHE A 157 6.771 16.055 7.674 1.00 0.00 O ATOM 1221 CB PHE A 157 4.959 17.063 5.987 1.00 0.00 C ATOM 1222 CG PHE A 157 4.356 17.637 7.266 1.00 0.00 C ATOM 1223 CD1 PHE A 157 2.980 17.499 7.535 1.00 0.00 C ATOM 1224 CD2 PHE A 157 5.139 18.456 8.105 1.00 0.00 C ATOM 1225 CE1 PHE A 157 2.421 18.071 8.690 1.00 0.00 C ATOM 1226 CE2 PHE A 157 4.580 19.032 9.259 1.00 0.00 C ATOM 1227 CZ PHE A 157 3.223 18.828 9.559 1.00 0.00 C ATOM 0 H PHE A 157 3.969 14.763 4.568 1.00 0.00 H new ATOM 0 HA PHE A 157 5.988 15.221 5.163 1.00 0.00 H new ATOM 0 HB2 PHE A 157 5.880 17.609 5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 157 4.271 17.281 5.170 1.00 0.00 H new ATOM 0 HD1 PHE A 157 2.351 16.950 6.849 1.00 0.00 H new ATOM 0 HD2 PHE A 157 6.174 18.642 7.860 1.00 0.00 H new ATOM 0 HE1 PHE A 157 1.373 17.928 8.910 1.00 0.00 H new ATOM 0 HE2 PHE A 157 5.194 19.631 9.915 1.00 0.00 H new ATOM 0 HZ PHE A 157 2.797 19.253 10.456 1.00 0.00 H new ATOM 1237 N ASP A 158 6.008 13.960 7.795 1.00 0.00 N ATOM 1238 CA ASP A 158 6.904 13.796 8.942 1.00 0.00 C ATOM 1239 C ASP A 158 8.378 13.672 8.474 1.00 0.00 C ATOM 1240 O ASP A 158 9.242 13.478 9.327 1.00 0.00 O ATOM 1241 CB ASP A 158 6.433 12.637 9.833 1.00 0.00 C ATOM 1242 CG ASP A 158 6.168 11.336 9.098 1.00 0.00 C ATOM 1243 OD1 ASP A 158 6.507 11.286 7.899 1.00 0.00 O ATOM 1244 OD2 ASP A 158 5.624 10.419 9.751 1.00 0.00 O ATOM 0 H ASP A 158 5.438 13.159 7.523 1.00 0.00 H new ATOM 0 HA ASP A 158 6.865 14.689 9.566 1.00 0.00 H new ATOM 0 HB2 ASP A 158 7.186 12.458 10.600 1.00 0.00 H new ATOM 0 HB3 ASP A 158 5.521 12.940 10.347 1.00 0.00 H new ATOM 1249 N GLY A 159 8.687 13.835 7.163 1.00 0.00 N ATOM 1250 CA GLY A 159 10.093 13.852 6.663 1.00 0.00 C ATOM 1251 C GLY A 159 10.905 12.570 6.947 1.00 0.00 C ATOM 1252 O GLY A 159 10.266 11.666 7.499 1.00 0.00 O ATOM 0 H GLY A 159 7.986 13.957 6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 159 10.077 14.022 5.587 1.00 0.00 H new ATOM 0 HA3 GLY A 159 10.612 14.699 7.112 1.00 0.00 H new ATOM 1256 N PRO A 160 12.222 12.418 6.552 1.00 0.00 N ATOM 1257 CA PRO A 160 12.864 11.111 6.495 1.00 0.00 C ATOM 1258 C PRO A 160 12.814 10.457 7.817 1.00 0.00 C ATOM 1259 O PRO A 160 12.993 11.041 8.886 1.00 0.00 O ATOM 1260 CB PRO A 160 14.276 11.071 5.952 1.00 0.00 C ATOM 1261 CG PRO A 160 14.528 12.592 5.868 1.00 0.00 C ATOM 1262 CD PRO A 160 13.156 13.330 5.920 1.00 0.00 C ATOM 0 HA PRO A 160 12.277 10.564 5.757 1.00 0.00 H new ATOM 0 HB2 PRO A 160 14.972 10.562 6.619 1.00 0.00 H new ATOM 0 HB3 PRO A 160 14.344 10.576 4.983 1.00 0.00 H new ATOM 0 HG2 PRO A 160 15.163 12.916 6.693 1.00 0.00 H new ATOM 0 HG3 PRO A 160 15.054 12.837 4.946 1.00 0.00 H new ATOM 0 HD2 PRO A 160 13.236 14.258 6.486 1.00 0.00 H new ATOM 0 HD3 PRO A 160 12.820 13.596 4.918 1.00 0.00 H new ATOM 1270 N GLY A 161 12.516 9.191 7.636 1.00 0.00 N ATOM 1271 CA GLY A 161 12.258 8.332 8.698 1.00 0.00 C ATOM 1272 C GLY A 161 10.822 8.597 9.111 1.00 0.00 C ATOM 1273 O GLY A 161 10.320 9.718 9.243 1.00 0.00 O ATOM 0 H GLY A 161 12.453 8.751 6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 161 12.393 7.292 8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 161 12.943 8.518 9.525 1.00 0.00 H new ATOM 1277 N ASN A 162 10.209 7.466 9.342 1.00 0.00 N ATOM 1278 CA ASN A 162 8.922 7.244 9.914 1.00 0.00 C ATOM 1279 C ASN A 162 8.073 6.538 8.918 1.00 0.00 C ATOM 1280 O ASN A 162 8.594 5.664 8.224 1.00 0.00 O ATOM 1281 CB ASN A 162 8.277 8.532 10.525 1.00 0.00 C ATOM 1282 CG ASN A 162 9.034 9.068 11.742 1.00 0.00 C ATOM 1283 OD1 ASN A 162 9.871 8.379 12.323 1.00 0.00 O ATOM 1284 ND2 ASN A 162 8.733 10.309 12.132 1.00 0.00 N ATOM 0 H ASN A 162 10.658 6.582 9.103 1.00 0.00 H new ATOM 0 HA ASN A 162 9.025 6.598 10.786 1.00 0.00 H new ATOM 0 HB2 ASN A 162 8.236 9.308 9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 162 7.248 8.314 10.813 1.00 0.00 H new ATOM 0 HD21 ASN A 162 9.204 10.718 12.939 1.00 0.00 H new ATOM 0 HD22 ASN A 162 8.032 10.848 11.623 1.00 0.00 H new ATOM 1291 N VAL A 163 6.798 6.922 8.833 1.00 0.00 N ATOM 1292 CA VAL A 163 6.019 6.387 7.763 1.00 0.00 C ATOM 1293 C VAL A 163 5.540 7.669 7.133 1.00 0.00 C ATOM 1294 O VAL A 163 6.023 8.781 7.476 1.00 0.00 O ATOM 1295 CB VAL A 163 5.089 5.194 7.927 1.00 0.00 C ATOM 1296 CG1 VAL A 163 5.948 3.934 8.018 1.00 0.00 C ATOM 1297 CG2 VAL A 163 4.199 5.329 9.083 1.00 0.00 C ATOM 0 H VAL A 163 6.321 7.566 9.463 1.00 0.00 H new ATOM 0 HA VAL A 163 6.591 5.729 7.109 1.00 0.00 H new ATOM 0 HB VAL A 163 4.428 5.134 7.062 1.00 0.00 H new ATOM 0 HG11 VAL A 163 5.304 3.062 8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 163 6.537 3.829 7.107 1.00 0.00 H new ATOM 0 HG13 VAL A 163 6.616 4.010 8.876 1.00 0.00 H new ATOM 0 HG21 VAL A 163 3.557 4.451 9.153 1.00 0.00 H new ATOM 0 HG22 VAL A 163 4.794 5.417 9.992 1.00 0.00 H new ATOM 0 HG23 VAL A 163 3.582 6.220 8.965 1.00 0.00 H new ATOM 1307 N LEU A 164 4.768 7.402 6.084 1.00 0.00 N ATOM 1308 CA LEU A 164 4.468 8.460 5.176 1.00 0.00 C ATOM 1309 C LEU A 164 3.601 8.283 3.950 1.00 0.00 C ATOM 1310 O LEU A 164 3.565 9.247 3.171 1.00 0.00 O ATOM 1311 CB LEU A 164 5.854 8.769 4.665 1.00 0.00 C ATOM 1312 CG LEU A 164 6.815 7.550 4.575 1.00 0.00 C ATOM 1313 CD1 LEU A 164 7.948 7.479 5.615 1.00 0.00 C ATOM 1314 CD2 LEU A 164 6.308 6.108 4.364 1.00 0.00 C ATOM 0 H LEU A 164 4.361 6.494 5.862 1.00 0.00 H new ATOM 0 HA LEU A 164 3.862 9.173 5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 164 5.767 9.216 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 164 6.305 9.519 5.315 1.00 0.00 H new ATOM 0 HG LEU A 164 7.162 7.873 3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 164 8.545 6.583 5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 164 8.582 8.361 5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 164 7.520 7.443 6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 164 7.157 5.425 4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 164 5.648 5.830 5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 164 5.760 6.049 3.423 1.00 0.00 H new ATOM 1326 N ALA A 165 2.927 7.152 3.722 1.00 0.00 N ATOM 1327 CA ALA A 165 2.028 7.213 2.563 1.00 0.00 C ATOM 1328 C ALA A 165 0.907 8.111 3.081 1.00 0.00 C ATOM 1329 O ALA A 165 0.402 7.833 4.171 1.00 0.00 O ATOM 1330 CB ALA A 165 1.517 5.868 2.085 1.00 0.00 C ATOM 0 H ALA A 165 2.970 6.280 4.250 1.00 0.00 H new ATOM 0 HA ALA A 165 2.531 7.586 1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.861 6.012 1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 165 2.360 5.240 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.962 5.383 2.888 1.00 0.00 H new ATOM 1336 N HIS A 166 0.517 9.178 2.360 1.00 0.00 N ATOM 1337 CA HIS A 166 -0.457 10.093 2.911 1.00 0.00 C ATOM 1338 C HIS A 166 -1.439 9.985 1.782 1.00 0.00 C ATOM 1339 O HIS A 166 -1.320 10.628 0.752 1.00 0.00 O ATOM 1340 CB HIS A 166 0.223 11.399 3.337 1.00 0.00 C ATOM 1341 CG HIS A 166 0.626 12.447 2.338 1.00 0.00 C ATOM 1342 ND1 HIS A 166 -0.110 13.595 2.327 1.00 0.00 N ATOM 1343 CD2 HIS A 166 1.675 12.562 1.477 1.00 0.00 C ATOM 1344 CE1 HIS A 166 0.503 14.278 1.361 1.00 0.00 C ATOM 1345 NE2 HIS A 166 1.486 13.699 0.679 1.00 0.00 N ATOM 0 H HIS A 166 0.857 9.410 1.427 1.00 0.00 H new ATOM 0 HA HIS A 166 -0.970 9.930 3.859 1.00 0.00 H new ATOM 0 HB2 HIS A 166 -0.444 11.884 4.050 1.00 0.00 H new ATOM 0 HB3 HIS A 166 1.125 11.121 3.883 1.00 0.00 H new ATOM 0 HD2 HIS A 166 2.516 11.887 1.419 1.00 0.00 H new ATOM 0 HE1 HIS A 166 0.204 15.291 1.135 1.00 0.00 H new ATOM 0 HE2 HIS A 166 1.962 13.995 -0.173 1.00 0.00 H new ATOM 1352 N ALA A 167 -2.271 8.967 2.010 1.00 0.00 N ATOM 1353 CA ALA A 167 -3.263 8.359 1.143 1.00 0.00 C ATOM 1354 C ALA A 167 -4.744 8.606 1.419 1.00 0.00 C ATOM 1355 O ALA A 167 -5.131 9.288 2.363 1.00 0.00 O ATOM 1356 CB ALA A 167 -3.011 6.843 1.276 1.00 0.00 C ATOM 0 H ALA A 167 -2.258 8.499 2.916 1.00 0.00 H new ATOM 0 HA ALA A 167 -3.123 8.815 0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 167 -3.720 6.300 0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 167 -1.995 6.614 0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 167 -3.140 6.543 2.316 1.00 0.00 H new ATOM 1362 N TYR A 168 -5.548 7.977 0.544 1.00 0.00 N ATOM 1363 CA TYR A 168 -6.997 7.887 0.545 1.00 0.00 C ATOM 1364 C TYR A 168 -7.418 6.498 0.054 1.00 0.00 C ATOM 1365 O TYR A 168 -6.742 5.884 -0.775 1.00 0.00 O ATOM 1366 CB TYR A 168 -7.594 8.951 -0.371 1.00 0.00 C ATOM 1367 CG TYR A 168 -7.195 10.356 -0.001 1.00 0.00 C ATOM 1368 CD1 TYR A 168 -7.507 10.836 1.281 1.00 0.00 C ATOM 1369 CD2 TYR A 168 -6.325 11.083 -0.831 1.00 0.00 C ATOM 1370 CE1 TYR A 168 -6.904 12.009 1.752 1.00 0.00 C ATOM 1371 CE2 TYR A 168 -5.718 12.254 -0.361 1.00 0.00 C ATOM 1372 CZ TYR A 168 -6.042 12.741 0.918 1.00 0.00 C ATOM 1373 OH TYR A 168 -5.536 13.927 1.351 1.00 0.00 O ATOM 0 H TYR A 168 -5.151 7.476 -0.251 1.00 0.00 H new ATOM 0 HA TYR A 168 -7.362 8.049 1.559 1.00 0.00 H new ATOM 0 HB2 TYR A 168 -7.283 8.752 -1.397 1.00 0.00 H new ATOM 0 HB3 TYR A 168 -8.681 8.872 -0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 168 -8.210 10.302 1.903 1.00 0.00 H new ATOM 0 HD2 TYR A 168 -6.124 10.738 -1.834 1.00 0.00 H new ATOM 0 HE1 TYR A 168 -7.102 12.351 2.757 1.00 0.00 H new ATOM 0 HE2 TYR A 168 -5.005 12.781 -0.978 1.00 0.00 H new ATOM 0 HH TYR A 168 -5.331 14.496 0.580 1.00 0.00 H new ATOM 1383 N ALA A 169 -8.549 6.044 0.605 1.00 0.00 N ATOM 1384 CA ALA A 169 -9.204 4.741 0.478 1.00 0.00 C ATOM 1385 C ALA A 169 -9.651 4.413 -0.981 1.00 0.00 C ATOM 1386 O ALA A 169 -9.191 5.099 -1.887 1.00 0.00 O ATOM 1387 CB ALA A 169 -10.323 4.783 1.537 1.00 0.00 C ATOM 0 H ALA A 169 -9.088 6.653 1.221 1.00 0.00 H new ATOM 0 HA ALA A 169 -8.534 3.903 0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -10.876 3.844 1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -9.884 4.928 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -11.002 5.607 1.317 1.00 0.00 H new ATOM 1393 N PRO A 170 -10.453 3.352 -1.268 1.00 0.00 N ATOM 1394 CA PRO A 170 -10.652 2.770 -2.601 1.00 0.00 C ATOM 1395 C PRO A 170 -11.215 3.833 -3.492 1.00 0.00 C ATOM 1396 O PRO A 170 -10.635 4.275 -4.460 1.00 0.00 O ATOM 1397 CB PRO A 170 -11.587 1.558 -2.468 1.00 0.00 C ATOM 1398 CG PRO A 170 -12.291 1.764 -1.123 1.00 0.00 C ATOM 1399 CD PRO A 170 -11.498 2.867 -0.400 1.00 0.00 C ATOM 0 HA PRO A 170 -9.718 2.420 -3.040 1.00 0.00 H new ATOM 0 HB2 PRO A 170 -12.303 1.517 -3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 170 -11.029 0.622 -2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 170 -13.330 2.060 -1.267 1.00 0.00 H new ATOM 0 HG3 PRO A 170 -12.299 0.843 -0.541 1.00 0.00 H new ATOM 0 HD2 PRO A 170 -12.163 3.684 -0.121 1.00 0.00 H new ATOM 0 HD3 PRO A 170 -11.068 2.476 0.522 1.00 0.00 H new ATOM 1407 N GLY A 171 -12.380 4.203 -3.056 1.00 0.00 N ATOM 1408 CA GLY A 171 -13.212 5.298 -3.552 1.00 0.00 C ATOM 1409 C GLY A 171 -12.501 6.670 -3.404 1.00 0.00 C ATOM 1410 O GLY A 171 -12.087 7.233 -4.415 1.00 0.00 O ATOM 0 H GLY A 171 -12.826 3.716 -2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -13.455 5.125 -4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -14.155 5.316 -3.005 1.00 0.00 H new ATOM 1414 N PRO A 172 -12.362 7.221 -2.178 1.00 0.00 N ATOM 1415 CA PRO A 172 -11.648 8.461 -1.820 1.00 0.00 C ATOM 1416 C PRO A 172 -10.299 8.693 -2.507 1.00 0.00 C ATOM 1417 O PRO A 172 -9.517 7.763 -2.699 1.00 0.00 O ATOM 1418 CB PRO A 172 -11.468 8.369 -0.305 1.00 0.00 C ATOM 1419 CG PRO A 172 -12.770 7.707 0.124 1.00 0.00 C ATOM 1420 CD PRO A 172 -12.990 6.679 -0.986 1.00 0.00 C ATOM 0 HA PRO A 172 -12.234 9.314 -2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 172 -10.597 7.773 -0.032 1.00 0.00 H new ATOM 0 HB3 PRO A 172 -11.338 9.350 0.152 1.00 0.00 H new ATOM 0 HG2 PRO A 172 -12.684 7.237 1.104 1.00 0.00 H new ATOM 0 HG3 PRO A 172 -13.590 8.423 0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 172 -12.550 5.718 -0.718 1.00 0.00 H new ATOM 0 HD3 PRO A 172 -14.054 6.508 -1.151 1.00 0.00 H new ATOM 1428 N GLY A 173 -10.044 9.963 -2.869 1.00 0.00 N ATOM 1429 CA GLY A 173 -8.839 10.410 -3.546 1.00 0.00 C ATOM 1430 C GLY A 173 -8.933 9.984 -4.990 1.00 0.00 C ATOM 1431 O GLY A 173 -10.011 9.603 -5.452 1.00 0.00 O ATOM 0 H GLY A 173 -10.700 10.722 -2.687 1.00 0.00 H new ATOM 0 HA2 GLY A 173 -8.740 11.493 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 173 -7.955 9.977 -3.077 1.00 0.00 H new ATOM 1435 N ILE A 174 -7.784 9.988 -5.677 1.00 0.00 N ATOM 1436 CA ILE A 174 -7.735 9.397 -7.004 1.00 0.00 C ATOM 1437 C ILE A 174 -7.755 7.982 -6.479 1.00 0.00 C ATOM 1438 O ILE A 174 -6.784 7.489 -5.925 1.00 0.00 O ATOM 1439 CB ILE A 174 -6.508 9.689 -7.866 1.00 0.00 C ATOM 1440 CG1 ILE A 174 -5.198 9.676 -7.073 1.00 0.00 C ATOM 1441 CG2 ILE A 174 -6.734 11.070 -8.507 1.00 0.00 C ATOM 1442 CD1 ILE A 174 -4.261 8.456 -7.148 1.00 0.00 C ATOM 0 H ILE A 174 -6.905 10.383 -5.343 1.00 0.00 H new ATOM 0 HA ILE A 174 -8.496 9.739 -7.705 1.00 0.00 H new ATOM 0 HB ILE A 174 -6.402 8.904 -8.615 1.00 0.00 H new ATOM 0 HG12 ILE A 174 -4.622 10.546 -7.386 1.00 0.00 H new ATOM 0 HG13 ILE A 174 -5.453 9.824 -6.024 1.00 0.00 H new ATOM 0 HG21 ILE A 174 -5.880 11.324 -9.135 1.00 0.00 H new ATOM 0 HG22 ILE A 174 -7.638 11.045 -9.116 1.00 0.00 H new ATOM 0 HG23 ILE A 174 -6.845 11.821 -7.724 1.00 0.00 H new ATOM 0 HD11 ILE A 174 -3.386 8.630 -6.522 1.00 0.00 H new ATOM 0 HD12 ILE A 174 -4.789 7.570 -6.796 1.00 0.00 H new ATOM 0 HD13 ILE A 174 -3.944 8.304 -8.180 1.00 0.00 H new ATOM 1454 N ASN A 175 -8.930 7.405 -6.629 1.00 0.00 N ATOM 1455 CA ASN A 175 -9.376 6.130 -6.092 1.00 0.00 C ATOM 1456 C ASN A 175 -8.181 5.244 -5.765 1.00 0.00 C ATOM 1457 O ASN A 175 -7.426 4.835 -6.647 1.00 0.00 O ATOM 1458 CB ASN A 175 -10.361 5.474 -7.064 1.00 0.00 C ATOM 1459 CG ASN A 175 -9.899 5.496 -8.523 1.00 0.00 C ATOM 1460 OD1 ASN A 175 -9.231 4.570 -8.979 1.00 0.00 O ATOM 1461 ND2 ASN A 175 -10.263 6.548 -9.263 1.00 0.00 N ATOM 0 H ASN A 175 -9.663 7.854 -7.178 1.00 0.00 H new ATOM 0 HA ASN A 175 -9.908 6.288 -5.154 1.00 0.00 H new ATOM 0 HB2 ASN A 175 -10.522 4.440 -6.760 1.00 0.00 H new ATOM 0 HB3 ASN A 175 -11.323 5.982 -6.990 1.00 0.00 H new ATOM 0 HD21 ASN A 175 -9.986 6.602 -10.243 1.00 0.00 H new ATOM 0 HD22 ASN A 175 -10.818 7.296 -8.847 1.00 0.00 H new ATOM 1468 N GLY A 176 -8.013 4.997 -4.453 1.00 0.00 N ATOM 1469 CA GLY A 176 -6.854 4.312 -3.951 1.00 0.00 C ATOM 1470 C GLY A 176 -5.645 5.234 -4.141 1.00 0.00 C ATOM 1471 O GLY A 176 -4.713 4.897 -4.866 1.00 0.00 O ATOM 0 H GLY A 176 -8.682 5.272 -3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 176 -6.983 4.064 -2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 176 -6.705 3.373 -4.483 1.00 0.00 H new ATOM 1475 N ASP A 177 -5.636 6.422 -3.527 1.00 0.00 N ATOM 1476 CA ASP A 177 -4.501 7.316 -3.768 1.00 0.00 C ATOM 1477 C ASP A 177 -3.413 7.245 -2.729 1.00 0.00 C ATOM 1478 O ASP A 177 -3.749 7.302 -1.556 1.00 0.00 O ATOM 1479 CB ASP A 177 -4.954 8.779 -3.601 1.00 0.00 C ATOM 1480 CG ASP A 177 -3.965 9.888 -3.984 1.00 0.00 C ATOM 1481 OD1 ASP A 177 -2.815 9.586 -4.369 1.00 0.00 O ATOM 1482 OD2 ASP A 177 -4.401 11.056 -3.887 1.00 0.00 O ATOM 0 H ASP A 177 -6.356 6.772 -2.895 1.00 0.00 H new ATOM 0 HA ASP A 177 -4.146 7.017 -4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -5.858 8.918 -4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -5.232 8.925 -2.557 1.00 0.00 H new ATOM 1487 N ALA A 178 -2.138 7.176 -3.128 1.00 0.00 N ATOM 1488 CA ALA A 178 -1.125 7.328 -2.056 1.00 0.00 C ATOM 1489 C ALA A 178 0.095 8.132 -2.503 1.00 0.00 C ATOM 1490 O ALA A 178 0.591 7.923 -3.603 1.00 0.00 O ATOM 1491 CB ALA A 178 -0.727 5.999 -1.475 1.00 0.00 C ATOM 0 H ALA A 178 -1.797 7.032 -4.078 1.00 0.00 H new ATOM 0 HA ALA A 178 -1.603 7.906 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 178 0.017 6.152 -0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 178 -1.604 5.510 -1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 178 -0.305 5.371 -2.259 1.00 0.00 H new ATOM 1497 N HIS A 179 0.577 9.057 -1.646 1.00 0.00 N ATOM 1498 CA HIS A 179 1.749 9.875 -1.941 1.00 0.00 C ATOM 1499 C HIS A 179 2.783 9.510 -0.892 1.00 0.00 C ATOM 1500 O HIS A 179 2.509 9.607 0.301 1.00 0.00 O ATOM 1501 CB HIS A 179 1.451 11.377 -1.885 1.00 0.00 C ATOM 1502 CG HIS A 179 0.107 11.814 -2.393 1.00 0.00 C ATOM 1503 ND1 HIS A 179 -0.062 13.005 -3.102 1.00 0.00 N ATOM 1504 CD2 HIS A 179 -1.122 11.322 -2.065 1.00 0.00 C ATOM 1505 CE1 HIS A 179 -1.384 13.108 -3.277 1.00 0.00 C ATOM 1506 NE2 HIS A 179 -2.066 12.139 -2.645 1.00 0.00 N ATOM 0 H HIS A 179 0.159 9.249 -0.736 1.00 0.00 H new ATOM 0 HA HIS A 179 2.094 9.679 -2.956 1.00 0.00 H new ATOM 0 HB2 HIS A 179 1.548 11.705 -0.850 1.00 0.00 H new ATOM 0 HB3 HIS A 179 2.218 11.898 -2.458 1.00 0.00 H new ATOM 0 HD2 HIS A 179 -1.319 10.449 -1.460 1.00 0.00 H new ATOM 0 HE1 HIS A 179 -1.852 13.886 -3.863 1.00 0.00 H new ATOM 0 HE2 HIS A 179 -3.079 12.030 -2.603 1.00 0.00 H new ATOM 1514 N PHE A 180 3.963 9.082 -1.331 1.00 0.00 N ATOM 1515 CA PHE A 180 5.000 8.585 -0.434 1.00 0.00 C ATOM 1516 C PHE A 180 5.901 9.698 -0.061 1.00 0.00 C ATOM 1517 O PHE A 180 6.240 10.393 -1.012 1.00 0.00 O ATOM 1518 CB PHE A 180 5.807 7.517 -1.149 1.00 0.00 C ATOM 1519 CG PHE A 180 5.005 6.263 -1.336 1.00 0.00 C ATOM 1520 CD1 PHE A 180 3.836 6.341 -2.100 1.00 0.00 C ATOM 1521 CD2 PHE A 180 5.135 5.241 -0.394 1.00 0.00 C ATOM 1522 CE1 PHE A 180 2.725 5.559 -1.773 1.00 0.00 C ATOM 1523 CE2 PHE A 180 4.095 4.322 -0.226 1.00 0.00 C ATOM 1524 CZ PHE A 180 2.866 4.503 -0.872 1.00 0.00 C ATOM 0 H PHE A 180 4.226 9.070 -2.316 1.00 0.00 H new ATOM 0 HA PHE A 180 4.539 8.167 0.461 1.00 0.00 H new ATOM 0 HB2 PHE A 180 6.132 7.892 -2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 180 6.707 7.294 -0.576 1.00 0.00 H new ATOM 0 HD1 PHE A 180 3.792 7.009 -2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 180 6.033 5.161 0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 180 1.763 5.771 -2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 180 4.241 3.462 0.410 1.00 0.00 H new ATOM 0 HZ PHE A 180 2.040 3.836 -0.676 1.00 0.00 H new ATOM 1534 N ASP A 181 6.255 9.837 1.243 1.00 0.00 N ATOM 1535 CA ASP A 181 7.163 10.884 1.683 1.00 0.00 C ATOM 1536 C ASP A 181 8.306 11.037 0.690 1.00 0.00 C ATOM 1537 O ASP A 181 9.356 10.444 0.810 1.00 0.00 O ATOM 1538 CB ASP A 181 7.819 10.754 3.128 1.00 0.00 C ATOM 1539 CG ASP A 181 7.411 11.423 4.499 1.00 0.00 C ATOM 1540 OD1 ASP A 181 6.777 12.491 4.555 1.00 0.00 O ATOM 1541 OD2 ASP A 181 7.857 10.913 5.556 1.00 0.00 O ATOM 0 H ASP A 181 5.918 9.231 1.991 1.00 0.00 H new ATOM 0 HA ASP A 181 6.500 11.747 1.742 1.00 0.00 H new ATOM 0 HB2 ASP A 181 7.813 9.684 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 181 8.859 11.045 2.982 1.00 0.00 H new ATOM 1546 N ASP A 182 8.097 11.888 -0.302 1.00 0.00 N ATOM 1547 CA ASP A 182 9.074 12.311 -1.268 1.00 0.00 C ATOM 1548 C ASP A 182 10.235 12.922 -0.496 1.00 0.00 C ATOM 1549 O ASP A 182 11.375 12.969 -0.956 1.00 0.00 O ATOM 1550 CB ASP A 182 8.355 13.371 -2.099 1.00 0.00 C ATOM 1551 CG ASP A 182 9.141 14.238 -3.089 1.00 0.00 C ATOM 1552 OD1 ASP A 182 10.385 14.155 -3.133 1.00 0.00 O ATOM 1553 OD2 ASP A 182 8.450 14.987 -3.814 1.00 0.00 O ATOM 0 H ASP A 182 7.186 12.321 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 182 9.461 11.512 -1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 182 7.573 12.863 -2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 182 7.858 14.046 -1.402 1.00 0.00 H new ATOM 1558 N ASP A 183 9.895 13.371 0.715 1.00 0.00 N ATOM 1559 CA ASP A 183 10.764 14.035 1.617 1.00 0.00 C ATOM 1560 C ASP A 183 11.799 12.996 2.066 1.00 0.00 C ATOM 1561 O ASP A 183 12.926 13.396 2.353 1.00 0.00 O ATOM 1562 CB ASP A 183 9.985 14.524 2.815 1.00 0.00 C ATOM 1563 CG ASP A 183 10.693 15.576 3.673 1.00 0.00 C ATOM 1564 OD1 ASP A 183 11.934 15.686 3.583 1.00 0.00 O ATOM 1565 OD2 ASP A 183 9.960 16.278 4.405 1.00 0.00 O ATOM 0 H ASP A 183 8.951 13.262 1.087 1.00 0.00 H new ATOM 0 HA ASP A 183 11.239 14.896 1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 183 9.039 14.940 2.467 1.00 0.00 H new ATOM 0 HB3 ASP A 183 9.744 13.668 3.445 1.00 0.00 H new ATOM 1570 N GLU A 184 11.450 11.679 2.137 1.00 0.00 N ATOM 1571 CA GLU A 184 12.361 10.689 2.661 1.00 0.00 C ATOM 1572 C GLU A 184 13.654 10.561 1.867 1.00 0.00 C ATOM 1573 O GLU A 184 13.999 11.343 0.982 1.00 0.00 O ATOM 1574 CB GLU A 184 11.603 9.346 2.761 1.00 0.00 C ATOM 1575 CG GLU A 184 11.229 8.968 4.183 1.00 0.00 C ATOM 1576 CD GLU A 184 10.416 10.000 4.947 1.00 0.00 C ATOM 1577 OE1 GLU A 184 10.350 11.167 4.520 1.00 0.00 O ATOM 1578 OE2 GLU A 184 10.022 9.646 6.073 1.00 0.00 O ATOM 0 H GLU A 184 10.549 11.309 1.835 1.00 0.00 H new ATOM 0 HA GLU A 184 12.689 11.011 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 184 10.697 9.403 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 184 12.221 8.556 2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 184 10.665 8.036 4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 184 12.145 8.769 4.740 1.00 0.00 H new ATOM 1585 N GLN A 185 14.364 9.517 2.259 1.00 0.00 N ATOM 1586 CA GLN A 185 15.630 9.051 1.771 1.00 0.00 C ATOM 1587 C GLN A 185 15.405 7.563 1.889 1.00 0.00 C ATOM 1588 O GLN A 185 15.954 6.922 2.784 1.00 0.00 O ATOM 1589 CB GLN A 185 16.784 9.596 2.623 1.00 0.00 C ATOM 1590 CG GLN A 185 18.141 9.156 2.064 1.00 0.00 C ATOM 1591 CD GLN A 185 19.291 9.691 2.913 1.00 0.00 C ATOM 1592 OE1 GLN A 185 19.933 8.936 3.641 1.00 0.00 O ATOM 1593 NE2 GLN A 185 19.556 10.997 2.819 1.00 0.00 N ATOM 0 H GLN A 185 14.021 8.917 3.009 1.00 0.00 H new ATOM 0 HA GLN A 185 15.918 9.366 0.768 1.00 0.00 H new ATOM 0 HB2 GLN A 185 16.735 10.685 2.652 1.00 0.00 H new ATOM 0 HB3 GLN A 185 16.679 9.245 3.649 1.00 0.00 H new ATOM 0 HG2 GLN A 185 18.187 8.067 2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 185 18.247 9.511 1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 185 18.998 11.588 2.202 1.00 0.00 H new ATOM 0 HE22 GLN A 185 20.316 11.404 3.364 1.00 0.00 H new ATOM 1602 N TRP A 186 14.482 7.092 1.033 1.00 0.00 N ATOM 1603 CA TRP A 186 13.934 5.751 0.949 1.00 0.00 C ATOM 1604 C TRP A 186 15.058 4.770 1.264 1.00 0.00 C ATOM 1605 O TRP A 186 16.215 4.998 0.905 1.00 0.00 O ATOM 1606 CB TRP A 186 13.140 5.677 -0.352 1.00 0.00 C ATOM 1607 CG TRP A 186 11.887 6.490 -0.204 1.00 0.00 C ATOM 1608 CD1 TRP A 186 11.649 7.783 -0.524 1.00 0.00 C ATOM 1609 CD2 TRP A 186 10.822 6.169 0.700 1.00 0.00 C ATOM 1610 NE1 TRP A 186 10.377 8.178 -0.125 1.00 0.00 N ATOM 1611 CE2 TRP A 186 9.945 7.281 0.802 1.00 0.00 C ATOM 1612 CE3 TRP A 186 10.595 5.085 1.551 1.00 0.00 C ATOM 1613 CZ2 TRP A 186 8.951 7.349 1.760 1.00 0.00 C ATOM 1614 CZ3 TRP A 186 9.547 5.136 2.470 1.00 0.00 C ATOM 1615 CH2 TRP A 186 9.006 6.376 2.757 1.00 0.00 C ATOM 0 H TRP A 186 14.073 7.703 0.326 1.00 0.00 H new ATOM 0 HA TRP A 186 13.187 5.459 1.688 1.00 0.00 H new ATOM 0 HB2 TRP A 186 13.739 6.055 -1.181 1.00 0.00 H new ATOM 0 HB3 TRP A 186 12.892 4.641 -0.584 1.00 0.00 H new ATOM 0 HD1 TRP A 186 12.357 8.426 -1.025 1.00 0.00 H new ATOM 0 HE1 TRP A 186 9.863 8.991 -0.465 1.00 0.00 H new ATOM 0 HE3 TRP A 186 11.228 4.212 1.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 186 8.182 8.107 1.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 186 9.171 4.239 2.941 1.00 0.00 H new ATOM 0 HH2 TRP A 186 8.629 6.589 3.746 1.00 0.00 H new ATOM 1626 N THR A 187 14.706 3.713 2.005 1.00 0.00 N ATOM 1627 CA THR A 187 15.721 2.826 2.566 1.00 0.00 C ATOM 1628 C THR A 187 15.104 1.590 3.227 1.00 0.00 C ATOM 1629 O THR A 187 13.963 1.222 2.969 1.00 0.00 O ATOM 1630 CB THR A 187 16.554 3.688 3.581 1.00 0.00 C ATOM 1631 OG1 THR A 187 17.606 2.988 4.211 1.00 0.00 O ATOM 1632 CG2 THR A 187 15.670 4.311 4.664 1.00 0.00 C ATOM 0 H THR A 187 13.743 3.457 2.225 1.00 0.00 H new ATOM 0 HA THR A 187 16.364 2.430 1.780 1.00 0.00 H new ATOM 0 HB THR A 187 16.997 4.467 2.961 1.00 0.00 H new ATOM 0 HG1 THR A 187 17.922 3.500 4.985 1.00 0.00 H new ATOM 0 HG21 THR A 187 16.287 4.898 5.344 1.00 0.00 H new ATOM 0 HG22 THR A 187 14.926 4.958 4.199 1.00 0.00 H new ATOM 0 HG23 THR A 187 15.166 3.521 5.222 1.00 0.00 H new ATOM 1640 N LYS A 188 15.910 0.973 4.090 1.00 0.00 N ATOM 1641 CA LYS A 188 15.676 -0.137 4.972 1.00 0.00 C ATOM 1642 C LYS A 188 16.928 -0.284 5.806 1.00 0.00 C ATOM 1643 O LYS A 188 17.808 -1.102 5.539 1.00 0.00 O ATOM 1644 CB LYS A 188 15.404 -1.397 4.204 1.00 0.00 C ATOM 1645 CG LYS A 188 15.233 -2.667 5.056 1.00 0.00 C ATOM 1646 CD LYS A 188 15.138 -3.932 4.195 1.00 0.00 C ATOM 1647 CE LYS A 188 13.962 -3.898 3.216 1.00 0.00 C ATOM 1648 NZ LYS A 188 13.826 -5.175 2.498 1.00 0.00 N ATOM 0 H LYS A 188 16.872 1.297 4.188 1.00 0.00 H new ATOM 0 HA LYS A 188 14.799 0.041 5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 188 14.500 -1.253 3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 188 16.222 -1.558 3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 188 16.075 -2.759 5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 188 14.334 -2.576 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 188 16.066 -4.056 3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 188 15.038 -4.801 4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 188 13.041 -3.683 3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 188 14.106 -3.089 2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 13.021 -5.121 1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 14.696 -5.366 1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 13.665 -5.942 3.181 1.00 0.00 H new ATOM 1662 N ASP A 189 16.956 0.527 6.852 1.00 0.00 N ATOM 1663 CA ASP A 189 18.019 0.427 7.875 1.00 0.00 C ATOM 1664 C ASP A 189 17.350 -0.354 9.009 1.00 0.00 C ATOM 1665 O ASP A 189 17.440 0.017 10.177 1.00 0.00 O ATOM 1666 CB ASP A 189 18.447 1.827 8.330 1.00 0.00 C ATOM 1667 CG ASP A 189 18.896 2.703 7.163 1.00 0.00 C ATOM 1668 OD1 ASP A 189 19.799 2.254 6.425 1.00 0.00 O ATOM 1669 OD2 ASP A 189 18.327 3.809 7.030 1.00 0.00 O ATOM 0 H ASP A 189 16.268 1.260 7.026 1.00 0.00 H new ATOM 0 HA ASP A 189 18.926 -0.060 7.517 1.00 0.00 H new ATOM 0 HB2 ASP A 189 17.616 2.309 8.845 1.00 0.00 H new ATOM 0 HB3 ASP A 189 19.261 1.740 9.050 1.00 0.00 H new ATOM 1674 N THR A 190 16.588 -1.378 8.580 1.00 0.00 N ATOM 1675 CA THR A 190 15.636 -2.215 9.289 1.00 0.00 C ATOM 1676 C THR A 190 14.371 -1.361 9.178 1.00 0.00 C ATOM 1677 O THR A 190 13.271 -1.907 9.128 1.00 0.00 O ATOM 1678 CB THR A 190 15.890 -2.525 10.779 1.00 0.00 C ATOM 1679 OG1 THR A 190 16.941 -3.460 10.886 1.00 0.00 O ATOM 1680 CG2 THR A 190 14.589 -3.106 11.393 1.00 0.00 C ATOM 0 H THR A 190 16.643 -1.663 7.602 1.00 0.00 H new ATOM 0 HA THR A 190 15.643 -3.215 8.855 1.00 0.00 H new ATOM 0 HB THR A 190 16.170 -1.618 11.315 1.00 0.00 H new ATOM 0 HG1 THR A 190 17.107 -3.659 11.831 1.00 0.00 H new ATOM 0 HG21 THR A 190 14.753 -3.330 12.447 1.00 0.00 H new ATOM 0 HG22 THR A 190 13.785 -2.377 11.298 1.00 0.00 H new ATOM 0 HG23 THR A 190 14.314 -4.020 10.866 1.00 0.00 H new ATOM 1688 N THR A 191 14.529 -0.020 9.148 1.00 0.00 N ATOM 1689 CA THR A 191 13.496 0.930 9.165 1.00 0.00 C ATOM 1690 C THR A 191 13.962 2.085 8.267 1.00 0.00 C ATOM 1691 O THR A 191 14.249 1.883 7.091 1.00 0.00 O ATOM 1692 CB THR A 191 13.192 1.286 10.632 1.00 0.00 C ATOM 1693 OG1 THR A 191 13.287 0.168 11.491 1.00 0.00 O ATOM 1694 CG2 THR A 191 11.755 1.766 10.705 1.00 0.00 C ATOM 0 H THR A 191 15.453 0.411 9.109 1.00 0.00 H new ATOM 0 HA THR A 191 12.544 0.583 8.763 1.00 0.00 H new ATOM 0 HB THR A 191 13.917 2.036 10.947 1.00 0.00 H new ATOM 0 HG1 THR A 191 13.087 0.444 12.410 1.00 0.00 H new ATOM 0 HG21 THR A 191 11.510 2.026 11.735 1.00 0.00 H new ATOM 0 HG22 THR A 191 11.632 2.643 10.070 1.00 0.00 H new ATOM 0 HG23 THR A 191 11.089 0.974 10.363 1.00 0.00 H new ATOM 1702 N GLY A 192 14.006 3.300 8.814 1.00 0.00 N ATOM 1703 CA GLY A 192 14.254 4.558 8.152 1.00 0.00 C ATOM 1704 C GLY A 192 12.864 4.518 7.580 1.00 0.00 C ATOM 1705 O GLY A 192 11.873 4.391 8.310 1.00 0.00 O ATOM 0 H GLY A 192 13.855 3.428 9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 192 14.453 5.397 8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 192 15.056 4.539 7.414 1.00 0.00 H new ATOM 1709 N THR A 193 12.801 4.575 6.267 1.00 0.00 N ATOM 1710 CA THR A 193 11.543 4.354 5.629 1.00 0.00 C ATOM 1711 C THR A 193 11.758 3.464 4.426 1.00 0.00 C ATOM 1712 O THR A 193 12.789 3.583 3.792 1.00 0.00 O ATOM 1713 CB THR A 193 10.999 5.666 5.198 1.00 0.00 C ATOM 1714 OG1 THR A 193 11.754 6.142 4.099 1.00 0.00 O ATOM 1715 CG2 THR A 193 11.041 6.667 6.328 1.00 0.00 C ATOM 0 H THR A 193 13.586 4.767 5.645 1.00 0.00 H new ATOM 0 HA THR A 193 10.842 3.874 6.311 1.00 0.00 H new ATOM 0 HB THR A 193 9.958 5.537 4.903 1.00 0.00 H new ATOM 0 HG1 THR A 193 11.173 6.225 3.314 1.00 0.00 H new ATOM 0 HG21 THR A 193 10.637 7.620 5.985 1.00 0.00 H new ATOM 0 HG22 THR A 193 10.444 6.299 7.163 1.00 0.00 H new ATOM 0 HG23 THR A 193 12.072 6.806 6.653 1.00 0.00 H new ATOM 1723 N ASN A 194 10.794 2.610 4.098 1.00 0.00 N ATOM 1724 CA ASN A 194 10.834 1.812 2.872 1.00 0.00 C ATOM 1725 C ASN A 194 9.504 2.040 2.168 1.00 0.00 C ATOM 1726 O ASN A 194 8.448 1.828 2.766 1.00 0.00 O ATOM 1727 CB ASN A 194 11.067 0.328 3.137 1.00 0.00 C ATOM 1728 CG ASN A 194 11.502 -0.446 1.892 1.00 0.00 C ATOM 1729 OD1 ASN A 194 11.590 0.099 0.793 1.00 0.00 O ATOM 1730 ND2 ASN A 194 11.768 -1.741 2.071 1.00 0.00 N ATOM 0 H ASN A 194 9.965 2.450 4.670 1.00 0.00 H new ATOM 0 HA ASN A 194 11.676 2.124 2.254 1.00 0.00 H new ATOM 0 HB2 ASN A 194 11.829 0.219 3.909 1.00 0.00 H new ATOM 0 HB3 ASN A 194 10.150 -0.113 3.529 1.00 0.00 H new ATOM 0 HD21 ASN A 194 12.056 -2.317 1.280 1.00 0.00 H new ATOM 0 HD22 ASN A 194 11.683 -2.156 2.999 1.00 0.00 H new ATOM 1737 N LEU A 195 9.566 2.521 0.916 1.00 0.00 N ATOM 1738 CA LEU A 195 8.461 2.917 0.077 1.00 0.00 C ATOM 1739 C LEU A 195 7.483 1.712 0.008 1.00 0.00 C ATOM 1740 O LEU A 195 6.276 1.860 -0.138 1.00 0.00 O ATOM 1741 CB LEU A 195 9.207 3.382 -1.201 1.00 0.00 C ATOM 1742 CG LEU A 195 8.673 4.417 -2.191 1.00 0.00 C ATOM 1743 CD1 LEU A 195 7.318 3.833 -2.575 1.00 0.00 C ATOM 1744 CD2 LEU A 195 8.637 5.923 -1.741 1.00 0.00 C ATOM 0 H LEU A 195 10.462 2.646 0.444 1.00 0.00 H new ATOM 0 HA LEU A 195 7.797 3.724 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 195 10.174 3.757 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 195 9.399 2.480 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 195 9.362 4.542 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 195 6.827 4.492 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 195 7.460 2.850 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 195 6.697 3.739 -1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 195 8.234 6.534 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 195 8.004 6.024 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 195 9.647 6.256 -1.503 1.00 0.00 H new ATOM 1756 N PHE A 196 8.065 0.515 0.154 1.00 0.00 N ATOM 1757 CA PHE A 196 7.540 -0.844 0.265 1.00 0.00 C ATOM 1758 C PHE A 196 6.336 -1.016 1.185 1.00 0.00 C ATOM 1759 O PHE A 196 5.282 -1.451 0.735 1.00 0.00 O ATOM 1760 CB PHE A 196 8.648 -1.783 0.817 1.00 0.00 C ATOM 1761 CG PHE A 196 8.182 -3.206 1.082 1.00 0.00 C ATOM 1762 CD1 PHE A 196 7.865 -4.012 -0.021 1.00 0.00 C ATOM 1763 CD2 PHE A 196 7.638 -3.541 2.339 1.00 0.00 C ATOM 1764 CE1 PHE A 196 6.739 -4.846 0.038 1.00 0.00 C ATOM 1765 CE2 PHE A 196 6.506 -4.372 2.395 1.00 0.00 C ATOM 1766 CZ PHE A 196 5.980 -4.898 1.212 1.00 0.00 C ATOM 0 H PHE A 196 9.083 0.481 0.204 1.00 0.00 H new ATOM 0 HA PHE A 196 7.216 -1.088 -0.747 1.00 0.00 H new ATOM 0 HB2 PHE A 196 9.474 -1.809 0.106 1.00 0.00 H new ATOM 0 HB3 PHE A 196 9.038 -1.361 1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 196 8.482 -3.991 -0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 196 8.085 -3.164 3.247 1.00 0.00 H new ATOM 0 HE1 PHE A 196 6.460 -5.444 -0.817 1.00 0.00 H new ATOM 0 HE2 PHE A 196 6.046 -4.602 3.345 1.00 0.00 H new ATOM 0 HZ PHE A 196 4.995 -5.341 1.204 1.00 0.00 H new ATOM 1776 N LEU A 197 6.502 -0.776 2.488 1.00 0.00 N ATOM 1777 CA LEU A 197 5.433 -1.080 3.424 1.00 0.00 C ATOM 1778 C LEU A 197 4.337 -0.063 3.423 1.00 0.00 C ATOM 1779 O LEU A 197 3.192 -0.464 3.576 1.00 0.00 O ATOM 1780 CB LEU A 197 5.992 -1.112 4.811 1.00 0.00 C ATOM 1781 CG LEU A 197 5.368 -2.082 5.812 1.00 0.00 C ATOM 1782 CD1 LEU A 197 6.217 -1.756 7.018 1.00 0.00 C ATOM 1783 CD2 LEU A 197 3.943 -1.898 6.299 1.00 0.00 C ATOM 0 H LEU A 197 7.346 -0.382 2.905 1.00 0.00 H new ATOM 0 HA LEU A 197 5.017 -2.038 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 197 7.054 -1.345 4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 197 5.914 -0.107 5.226 1.00 0.00 H new ATOM 0 HG LEU A 197 5.336 -3.065 5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 197 5.905 -2.373 7.860 1.00 0.00 H new ATOM 0 HD12 LEU A 197 7.264 -1.955 6.790 1.00 0.00 H new ATOM 0 HD13 LEU A 197 6.095 -0.704 7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 197 3.694 -2.692 7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 197 3.850 -0.931 6.794 1.00 0.00 H new ATOM 0 HD23 LEU A 197 3.260 -1.939 5.450 1.00 0.00 H new ATOM 1795 N VAL A 198 4.642 1.231 3.261 1.00 0.00 N ATOM 1796 CA VAL A 198 3.587 2.170 3.151 1.00 0.00 C ATOM 1797 C VAL A 198 2.829 1.892 1.875 1.00 0.00 C ATOM 1798 O VAL A 198 1.646 2.202 1.800 1.00 0.00 O ATOM 1799 CB VAL A 198 4.164 3.563 3.202 1.00 0.00 C ATOM 1800 CG1 VAL A 198 4.059 3.921 4.686 1.00 0.00 C ATOM 1801 CG2 VAL A 198 5.614 3.688 2.697 1.00 0.00 C ATOM 0 H VAL A 198 5.586 1.615 3.208 1.00 0.00 H new ATOM 0 HA VAL A 198 2.882 2.084 3.978 1.00 0.00 H new ATOM 0 HB VAL A 198 3.624 4.233 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 198 4.453 4.924 4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 198 3.014 3.888 4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 198 4.635 3.206 5.274 1.00 0.00 H new ATOM 0 HG21 VAL A 198 5.938 4.726 2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 198 6.266 3.059 3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 198 5.666 3.368 1.656 1.00 0.00 H new ATOM 1811 N ALA A 199 3.521 1.296 0.896 1.00 0.00 N ATOM 1812 CA ALA A 199 2.863 0.860 -0.317 1.00 0.00 C ATOM 1813 C ALA A 199 1.791 -0.107 0.135 1.00 0.00 C ATOM 1814 O ALA A 199 0.656 0.184 -0.153 1.00 0.00 O ATOM 1815 CB ALA A 199 3.747 0.165 -1.339 1.00 0.00 C ATOM 0 H ALA A 199 4.524 1.111 0.929 1.00 0.00 H new ATOM 0 HA ALA A 199 2.497 1.747 -0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 199 3.149 -0.117 -2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 199 4.542 0.841 -1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 199 4.185 -0.728 -0.894 1.00 0.00 H new ATOM 1821 N ALA A 200 2.102 -1.176 0.883 1.00 0.00 N ATOM 1822 CA ALA A 200 1.108 -2.091 1.448 1.00 0.00 C ATOM 1823 C ALA A 200 0.047 -1.334 2.222 1.00 0.00 C ATOM 1824 O ALA A 200 -1.123 -1.452 1.883 1.00 0.00 O ATOM 1825 CB ALA A 200 1.837 -3.157 2.263 1.00 0.00 C ATOM 0 H ALA A 200 3.063 -1.429 1.113 1.00 0.00 H new ATOM 0 HA ALA A 200 0.560 -2.603 0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 200 1.111 -3.848 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 200 2.521 -3.706 1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 200 2.401 -2.680 3.065 1.00 0.00 H new ATOM 1831 N HIS A 201 0.410 -0.549 3.231 1.00 0.00 N ATOM 1832 CA HIS A 201 -0.560 0.292 3.911 1.00 0.00 C ATOM 1833 C HIS A 201 -1.470 1.046 2.929 1.00 0.00 C ATOM 1834 O HIS A 201 -2.628 1.225 3.267 1.00 0.00 O ATOM 1835 CB HIS A 201 0.210 1.264 4.805 1.00 0.00 C ATOM 1836 CG HIS A 201 -0.600 2.285 5.552 1.00 0.00 C ATOM 1837 ND1 HIS A 201 -0.635 3.590 5.075 1.00 0.00 N ATOM 1838 CD2 HIS A 201 -1.317 2.144 6.706 1.00 0.00 C ATOM 1839 CE1 HIS A 201 -1.366 4.170 6.032 1.00 0.00 C ATOM 1840 NE2 HIS A 201 -1.805 3.407 7.042 1.00 0.00 N ATOM 0 H HIS A 201 1.362 -0.480 3.591 1.00 0.00 H new ATOM 0 HA HIS A 201 -1.222 -0.334 4.508 1.00 0.00 H new ATOM 0 HB2 HIS A 201 0.776 0.681 5.532 1.00 0.00 H new ATOM 0 HB3 HIS A 201 0.935 1.792 4.186 1.00 0.00 H new ATOM 0 HD1 HIS A 201 -0.221 3.991 4.234 1.00 0.00 H new ATOM 0 HD2 HIS A 201 -1.476 1.228 7.255 1.00 0.00 H new ATOM 0 HE1 HIS A 201 -1.596 5.224 5.992 1.00 0.00 H new ATOM 1847 N GLU A 202 -0.992 1.421 1.731 1.00 0.00 N ATOM 1848 CA GLU A 202 -1.760 2.044 0.652 1.00 0.00 C ATOM 1849 C GLU A 202 -2.566 1.014 -0.156 1.00 0.00 C ATOM 1850 O GLU A 202 -3.763 1.219 -0.315 1.00 0.00 O ATOM 1851 CB GLU A 202 -0.825 2.837 -0.275 1.00 0.00 C ATOM 1852 CG GLU A 202 -1.182 2.820 -1.775 1.00 0.00 C ATOM 1853 CD GLU A 202 -2.455 3.579 -2.165 1.00 0.00 C ATOM 1854 OE1 GLU A 202 -3.344 3.751 -1.303 1.00 0.00 O ATOM 1855 OE2 GLU A 202 -2.503 4.012 -3.335 1.00 0.00 O ATOM 0 H GLU A 202 -0.012 1.290 1.481 1.00 0.00 H new ATOM 0 HA GLU A 202 -2.476 2.725 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 202 -0.807 3.874 0.061 1.00 0.00 H new ATOM 0 HB3 GLU A 202 0.186 2.446 -0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 202 -0.345 3.240 -2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 202 -1.288 1.783 -2.092 1.00 0.00 H new ATOM 1862 N ILE A 203 -1.950 -0.038 -0.724 1.00 0.00 N ATOM 1863 CA ILE A 203 -2.598 -0.998 -1.592 1.00 0.00 C ATOM 1864 C ILE A 203 -3.783 -1.566 -0.804 1.00 0.00 C ATOM 1865 O ILE A 203 -4.888 -1.684 -1.319 1.00 0.00 O ATOM 1866 CB ILE A 203 -1.676 -2.173 -2.014 1.00 0.00 C ATOM 1867 CG1 ILE A 203 -0.144 -2.011 -2.175 1.00 0.00 C ATOM 1868 CG2 ILE A 203 -2.132 -2.754 -3.347 1.00 0.00 C ATOM 1869 CD1 ILE A 203 0.536 -1.028 -3.139 1.00 0.00 C ATOM 0 H ILE A 203 -0.960 -0.236 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 203 -2.891 -0.491 -2.511 1.00 0.00 H new ATOM 0 HB ILE A 203 -1.797 -2.782 -1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 203 0.239 -1.772 -1.183 1.00 0.00 H new ATOM 0 HG13 ILE A 203 0.237 -2.999 -2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 203 -1.475 -3.577 -3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 203 -3.154 -3.121 -3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 203 -2.093 -1.980 -4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 203 1.618 -1.121 -3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 203 0.236 -1.255 -4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 203 0.237 -0.010 -2.891 1.00 0.00 H new ATOM 1881 N GLY A 204 -3.516 -1.864 0.474 1.00 0.00 N ATOM 1882 CA GLY A 204 -4.439 -2.313 1.486 1.00 0.00 C ATOM 1883 C GLY A 204 -5.434 -1.229 1.843 1.00 0.00 C ATOM 1884 O GLY A 204 -6.636 -1.493 1.878 1.00 0.00 O ATOM 0 H GLY A 204 -2.568 -1.786 0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -4.971 -3.195 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -3.888 -2.611 2.378 1.00 0.00 H new ATOM 1888 N HIS A 205 -4.917 -0.023 2.124 1.00 0.00 N ATOM 1889 CA HIS A 205 -5.799 1.073 2.572 1.00 0.00 C ATOM 1890 C HIS A 205 -6.890 1.305 1.543 1.00 0.00 C ATOM 1891 O HIS A 205 -8.046 1.466 1.934 1.00 0.00 O ATOM 1892 CB HIS A 205 -5.108 2.432 2.795 1.00 0.00 C ATOM 1893 CG HIS A 205 -4.880 2.795 4.246 1.00 0.00 C ATOM 1894 ND1 HIS A 205 -4.886 4.143 4.587 1.00 0.00 N ATOM 1895 CD2 HIS A 205 -4.710 1.995 5.348 1.00 0.00 C ATOM 1896 CE1 HIS A 205 -4.765 4.051 5.914 1.00 0.00 C ATOM 1897 NE2 HIS A 205 -4.656 2.832 6.462 1.00 0.00 N ATOM 0 H HIS A 205 -3.928 0.217 2.054 1.00 0.00 H new ATOM 0 HA HIS A 205 -6.176 0.735 3.537 1.00 0.00 H new ATOM 0 HB2 HIS A 205 -4.147 2.424 2.281 1.00 0.00 H new ATOM 0 HB3 HIS A 205 -5.711 3.212 2.330 1.00 0.00 H new ATOM 0 HD1 HIS A 205 -4.961 4.968 3.992 1.00 0.00 H new ATOM 0 HD2 HIS A 205 -4.632 0.918 5.352 1.00 0.00 H new ATOM 0 HE1 HIS A 205 -4.755 4.937 6.531 1.00 0.00 H new ATOM 1904 N SER A 206 -6.536 1.323 0.250 1.00 0.00 N ATOM 1905 CA SER A 206 -7.518 1.450 -0.782 1.00 0.00 C ATOM 1906 C SER A 206 -8.620 0.425 -0.645 1.00 0.00 C ATOM 1907 O SER A 206 -9.747 0.792 -0.379 1.00 0.00 O ATOM 1908 CB SER A 206 -6.822 1.266 -2.109 1.00 0.00 C ATOM 1909 OG SER A 206 -7.735 1.152 -3.178 1.00 0.00 O ATOM 0 H SER A 206 -5.575 1.250 -0.083 1.00 0.00 H new ATOM 0 HA SER A 206 -7.981 2.434 -0.708 1.00 0.00 H new ATOM 0 HB2 SER A 206 -6.158 2.111 -2.289 1.00 0.00 H new ATOM 0 HB3 SER A 206 -6.198 0.373 -2.069 1.00 0.00 H new ATOM 0 HG SER A 206 -7.469 0.407 -3.757 1.00 0.00 H new ATOM 1915 N LEU A 207 -8.323 -0.852 -0.844 1.00 0.00 N ATOM 1916 CA LEU A 207 -9.372 -1.853 -0.875 1.00 0.00 C ATOM 1917 C LEU A 207 -10.300 -1.815 0.339 1.00 0.00 C ATOM 1918 O LEU A 207 -11.501 -1.614 0.156 1.00 0.00 O ATOM 1919 CB LEU A 207 -8.724 -3.255 -1.082 1.00 0.00 C ATOM 1920 CG LEU A 207 -7.478 -3.374 -2.012 1.00 0.00 C ATOM 1921 CD1 LEU A 207 -6.411 -4.329 -1.416 1.00 0.00 C ATOM 1922 CD2 LEU A 207 -7.857 -3.873 -3.406 1.00 0.00 C ATOM 0 H LEU A 207 -7.379 -1.212 -0.984 1.00 0.00 H new ATOM 0 HA LEU A 207 -10.027 -1.626 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 207 -8.442 -3.637 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 207 -9.494 -3.920 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 207 -7.062 -2.370 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 207 -5.557 -4.387 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 207 -6.083 -3.950 -0.448 1.00 0.00 H new ATOM 0 HD13 LEU A 207 -6.842 -5.322 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 207 -6.962 -3.942 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 207 -8.320 -4.856 -3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 207 -8.560 -3.177 -3.863 1.00 0.00 H new ATOM 1934 N GLY A 208 -9.784 -1.972 1.559 1.00 0.00 N ATOM 1935 CA GLY A 208 -10.621 -1.815 2.727 1.00 0.00 C ATOM 1936 C GLY A 208 -10.185 -2.584 3.961 1.00 0.00 C ATOM 1937 O GLY A 208 -10.803 -2.361 5.001 1.00 0.00 O ATOM 0 H GLY A 208 -8.810 -2.203 1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 208 -10.665 -0.755 2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 208 -11.634 -2.124 2.469 1.00 0.00 H new ATOM 1941 N LEU A 209 -9.146 -3.441 3.903 1.00 0.00 N ATOM 1942 CA LEU A 209 -8.678 -4.077 5.173 1.00 0.00 C ATOM 1943 C LEU A 209 -8.099 -3.081 6.204 1.00 0.00 C ATOM 1944 O LEU A 209 -7.743 -3.439 7.325 1.00 0.00 O ATOM 1945 CB LEU A 209 -7.706 -5.251 4.951 1.00 0.00 C ATOM 1946 CG LEU A 209 -6.211 -4.887 4.969 1.00 0.00 C ATOM 1947 CD1 LEU A 209 -5.296 -6.092 5.003 1.00 0.00 C ATOM 1948 CD2 LEU A 209 -5.919 -4.125 3.715 1.00 0.00 C ATOM 0 H LEU A 209 -8.638 -3.703 3.058 1.00 0.00 H new ATOM 0 HA LEU A 209 -9.593 -4.483 5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 209 -7.888 -6.001 5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 209 -7.937 -5.715 3.992 1.00 0.00 H new ATOM 0 HG LEU A 209 -6.023 -4.313 5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 209 -4.258 -5.760 5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 209 -5.499 -6.678 5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 209 -5.471 -6.707 4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 209 -4.865 -3.850 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 209 -6.149 -4.746 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 209 -6.530 -3.223 3.687 1.00 0.00 H new ATOM 1960 N PHE A 210 -8.085 -1.826 5.780 1.00 0.00 N ATOM 1961 CA PHE A 210 -7.752 -0.553 6.401 1.00 0.00 C ATOM 1962 C PHE A 210 -7.961 -0.548 7.925 1.00 0.00 C ATOM 1963 O PHE A 210 -9.087 -0.681 8.397 1.00 0.00 O ATOM 1964 CB PHE A 210 -8.704 0.443 5.706 1.00 0.00 C ATOM 1965 CG PHE A 210 -8.755 1.884 6.181 1.00 0.00 C ATOM 1966 CD1 PHE A 210 -9.725 2.268 7.129 1.00 0.00 C ATOM 1967 CD2 PHE A 210 -8.103 2.879 5.430 1.00 0.00 C ATOM 1968 CE1 PHE A 210 -9.966 3.629 7.387 1.00 0.00 C ATOM 1969 CE2 PHE A 210 -8.321 4.240 5.704 1.00 0.00 C ATOM 1970 CZ PHE A 210 -9.251 4.616 6.687 1.00 0.00 C ATOM 0 H PHE A 210 -8.359 -1.652 4.813 1.00 0.00 H new ATOM 0 HA PHE A 210 -6.697 -0.310 6.279 1.00 0.00 H new ATOM 0 HB2 PHE A 210 -8.446 0.457 4.647 1.00 0.00 H new ATOM 0 HB3 PHE A 210 -9.713 0.038 5.783 1.00 0.00 H new ATOM 0 HD1 PHE A 210 -10.286 1.513 7.660 1.00 0.00 H new ATOM 0 HD2 PHE A 210 -7.429 2.594 4.636 1.00 0.00 H new ATOM 0 HE1 PHE A 210 -10.701 3.916 8.124 1.00 0.00 H new ATOM 0 HE2 PHE A 210 -7.774 4.996 5.160 1.00 0.00 H new ATOM 0 HZ PHE A 210 -9.416 5.661 6.904 1.00 0.00 H new ATOM 1980 N HIS A 211 -6.856 -0.384 8.672 1.00 0.00 N ATOM 1981 CA HIS A 211 -6.741 -0.228 10.128 1.00 0.00 C ATOM 1982 C HIS A 211 -7.197 -1.453 10.941 1.00 0.00 C ATOM 1983 O HIS A 211 -8.270 -2.010 10.722 1.00 0.00 O ATOM 1984 CB HIS A 211 -7.500 1.026 10.580 1.00 0.00 C ATOM 1985 CG HIS A 211 -6.834 2.288 10.093 1.00 0.00 C ATOM 1986 ND1 HIS A 211 -7.452 3.041 9.106 1.00 0.00 N ATOM 1987 CD2 HIS A 211 -5.641 2.839 10.479 1.00 0.00 C ATOM 1988 CE1 HIS A 211 -6.554 4.019 8.953 1.00 0.00 C ATOM 1989 NE2 HIS A 211 -5.446 3.984 9.706 1.00 0.00 N ATOM 0 H HIS A 211 -5.938 -0.355 8.229 1.00 0.00 H new ATOM 0 HA HIS A 211 -5.676 -0.124 10.334 1.00 0.00 H new ATOM 0 HB2 HIS A 211 -8.523 0.987 10.206 1.00 0.00 H new ATOM 0 HB3 HIS A 211 -7.559 1.043 11.668 1.00 0.00 H new ATOM 0 HD1 HIS A 211 -8.342 2.891 8.630 1.00 0.00 H new ATOM 0 HD2 HIS A 211 -4.976 2.458 11.240 1.00 0.00 H new ATOM 0 HE1 HIS A 211 -6.717 4.816 8.242 1.00 0.00 H new ATOM 1996 N SER A 212 -6.350 -1.829 11.914 1.00 0.00 N ATOM 1997 CA SER A 212 -6.529 -2.875 12.921 1.00 0.00 C ATOM 1998 C SER A 212 -5.386 -2.749 13.939 1.00 0.00 C ATOM 1999 O SER A 212 -4.667 -1.749 13.950 1.00 0.00 O ATOM 2000 CB SER A 212 -6.532 -4.272 12.277 1.00 0.00 C ATOM 2001 OG SER A 212 -7.118 -5.213 13.150 1.00 0.00 O ATOM 0 H SER A 212 -5.447 -1.366 12.020 1.00 0.00 H new ATOM 0 HA SER A 212 -7.492 -2.751 13.416 1.00 0.00 H new ATOM 0 HB2 SER A 212 -7.083 -4.245 11.337 1.00 0.00 H new ATOM 0 HB3 SER A 212 -5.512 -4.573 12.039 1.00 0.00 H new ATOM 0 HG SER A 212 -7.845 -5.680 12.687 1.00 0.00 H new ATOM 2007 N ALA A 213 -5.211 -3.772 14.785 1.00 0.00 N ATOM 2008 CA ALA A 213 -4.142 -3.828 15.775 1.00 0.00 C ATOM 2009 C ALA A 213 -3.763 -5.285 16.057 1.00 0.00 C ATOM 2010 O ALA A 213 -4.230 -5.870 17.033 1.00 0.00 O ATOM 2011 CB ALA A 213 -4.605 -3.112 17.050 1.00 0.00 C ATOM 0 H ALA A 213 -5.818 -4.591 14.797 1.00 0.00 H new ATOM 0 HA ALA A 213 -3.253 -3.324 15.395 1.00 0.00 H new ATOM 0 HB1 ALA A 213 -3.812 -3.149 17.797 1.00 0.00 H new ATOM 0 HB2 ALA A 213 -4.838 -2.073 16.819 1.00 0.00 H new ATOM 0 HB3 ALA A 213 -5.495 -3.605 17.442 1.00 0.00 H new ATOM 2017 N ASN A 214 -2.905 -5.859 15.201 1.00 0.00 N ATOM 2018 CA ASN A 214 -2.385 -7.219 15.333 1.00 0.00 C ATOM 2019 C ASN A 214 -0.916 -7.253 14.887 1.00 0.00 C ATOM 2020 O ASN A 214 -0.446 -6.337 14.214 1.00 0.00 O ATOM 2021 CB ASN A 214 -3.244 -8.185 14.503 1.00 0.00 C ATOM 2022 CG ASN A 214 -4.660 -8.335 15.056 1.00 0.00 C ATOM 2023 OD1 ASN A 214 -4.928 -9.244 15.839 1.00 0.00 O ATOM 2024 ND2 ASN A 214 -5.573 -7.451 14.644 1.00 0.00 N ATOM 0 H ASN A 214 -2.547 -5.374 14.378 1.00 0.00 H new ATOM 0 HA ASN A 214 -2.432 -7.535 16.375 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -3.296 -7.827 13.475 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -2.763 -9.163 14.477 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -6.534 -7.516 14.980 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -5.309 -6.711 13.993 1.00 0.00 H new ATOM 2031 N THR A 215 -0.193 -8.310 15.287 1.00 0.00 N ATOM 2032 CA THR A 215 1.243 -8.487 15.072 1.00 0.00 C ATOM 2033 C THR A 215 1.567 -8.608 13.576 1.00 0.00 C ATOM 2034 O THR A 215 2.100 -7.681 12.981 1.00 0.00 O ATOM 2035 CB THR A 215 1.698 -9.721 15.875 1.00 0.00 C ATOM 2036 OG1 THR A 215 1.427 -9.497 17.243 1.00 0.00 O ATOM 2037 CG2 THR A 215 3.198 -9.984 15.717 1.00 0.00 C ATOM 0 H THR A 215 -0.613 -9.093 15.788 1.00 0.00 H new ATOM 0 HA THR A 215 1.791 -7.613 15.425 1.00 0.00 H new ATOM 0 HB THR A 215 1.156 -10.588 15.496 1.00 0.00 H new ATOM 0 HG1 THR A 215 1.711 -10.277 17.765 1.00 0.00 H new ATOM 0 HG21 THR A 215 3.477 -10.862 16.299 1.00 0.00 H new ATOM 0 HG22 THR A 215 3.428 -10.157 14.666 1.00 0.00 H new ATOM 0 HG23 THR A 215 3.758 -9.120 16.073 1.00 0.00 H new ATOM 2045 N GLU A 216 1.243 -9.747 12.965 1.00 0.00 N ATOM 2046 CA GLU A 216 1.536 -10.109 11.584 1.00 0.00 C ATOM 2047 C GLU A 216 0.984 -9.140 10.534 1.00 0.00 C ATOM 2048 O GLU A 216 1.451 -9.145 9.396 1.00 0.00 O ATOM 2049 CB GLU A 216 0.847 -11.458 11.326 1.00 0.00 C ATOM 2050 CG GLU A 216 -0.686 -11.279 11.301 1.00 0.00 C ATOM 2051 CD GLU A 216 -1.412 -12.622 11.314 1.00 0.00 C ATOM 2052 OE1 GLU A 216 -1.340 -13.299 12.362 1.00 0.00 O ATOM 2053 OE2 GLU A 216 -2.031 -12.948 10.278 1.00 0.00 O ATOM 0 H GLU A 216 0.737 -10.486 13.454 1.00 0.00 H new ATOM 0 HA GLU A 216 2.621 -10.112 11.483 1.00 0.00 H new ATOM 0 HB2 GLU A 216 1.187 -11.873 10.377 1.00 0.00 H new ATOM 0 HB3 GLU A 216 1.124 -12.170 12.103 1.00 0.00 H new ATOM 0 HG2 GLU A 216 -0.997 -10.689 12.163 1.00 0.00 H new ATOM 0 HG3 GLU A 216 -0.972 -10.719 10.411 1.00 0.00 H new ATOM 2060 N ALA A 217 -0.035 -8.350 10.890 1.00 0.00 N ATOM 2061 CA ALA A 217 -0.777 -7.494 10.050 1.00 0.00 C ATOM 2062 C ALA A 217 -0.005 -6.420 9.352 1.00 0.00 C ATOM 2063 O ALA A 217 1.051 -5.988 9.804 1.00 0.00 O ATOM 2064 CB ALA A 217 -1.798 -6.857 11.005 1.00 0.00 C ATOM 0 H ALA A 217 -0.363 -8.313 11.855 1.00 0.00 H new ATOM 0 HA ALA A 217 -1.192 -8.072 9.225 1.00 0.00 H new ATOM 0 HB1 ALA A 217 -2.433 -6.166 10.450 1.00 0.00 H new ATOM 0 HB2 ALA A 217 -2.414 -7.637 11.452 1.00 0.00 H new ATOM 0 HB3 ALA A 217 -1.272 -6.315 11.791 1.00 0.00 H new ATOM 2070 N LEU A 218 -0.611 -5.953 8.260 1.00 0.00 N ATOM 2071 CA LEU A 218 -0.100 -4.787 7.598 1.00 0.00 C ATOM 2072 C LEU A 218 -0.710 -3.674 8.442 1.00 0.00 C ATOM 2073 O LEU A 218 -0.225 -2.544 8.400 1.00 0.00 O ATOM 2074 CB LEU A 218 -0.559 -4.715 6.154 1.00 0.00 C ATOM 2075 CG LEU A 218 0.397 -5.508 5.263 1.00 0.00 C ATOM 2076 CD1 LEU A 218 0.625 -6.913 5.815 1.00 0.00 C ATOM 2077 CD2 LEU A 218 -0.270 -5.558 3.900 1.00 0.00 C ATOM 0 H LEU A 218 -1.440 -6.366 7.833 1.00 0.00 H new ATOM 0 HA LEU A 218 0.987 -4.751 7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -1.569 -5.115 6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -0.597 -3.676 5.827 1.00 0.00 H new ATOM 0 HG LEU A 218 1.381 -5.041 5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 218 1.309 -7.454 5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 218 1.055 -6.846 6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 218 -0.326 -7.443 5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 218 0.361 -6.114 3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -1.237 -6.053 3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -0.413 -4.544 3.528 1.00 0.00 H new ATOM 2089 N MET A 219 -1.750 -4.016 9.243 1.00 0.00 N ATOM 2090 CA MET A 219 -2.290 -3.027 10.158 1.00 0.00 C ATOM 2091 C MET A 219 -1.324 -2.807 11.333 1.00 0.00 C ATOM 2092 O MET A 219 -1.463 -1.797 12.022 1.00 0.00 O ATOM 2093 CB MET A 219 -3.697 -3.436 10.562 1.00 0.00 C ATOM 2094 CG MET A 219 -4.679 -3.045 9.446 1.00 0.00 C ATOM 2095 SD MET A 219 -4.330 -3.641 7.770 1.00 0.00 S ATOM 2096 CE MET A 219 -3.667 -2.160 6.952 1.00 0.00 C ATOM 0 H MET A 219 -2.202 -4.930 9.264 1.00 0.00 H new ATOM 0 HA MET A 219 -2.380 -2.054 9.676 1.00 0.00 H new ATOM 0 HB2 MET A 219 -3.739 -4.511 10.739 1.00 0.00 H new ATOM 0 HB3 MET A 219 -3.976 -2.948 11.496 1.00 0.00 H new ATOM 0 HG2 MET A 219 -5.669 -3.402 9.730 1.00 0.00 H new ATOM 0 HG3 MET A 219 -4.731 -1.957 9.411 1.00 0.00 H new ATOM 0 HE1 MET A 219 -3.566 -2.349 5.883 1.00 0.00 H new ATOM 0 HE2 MET A 219 -4.347 -1.322 7.109 1.00 0.00 H new ATOM 0 HE3 MET A 219 -2.691 -1.919 7.372 1.00 0.00 H new ATOM 2106 N TYR A 220 -0.345 -3.709 11.554 1.00 0.00 N ATOM 2107 CA TYR A 220 0.715 -3.530 12.557 1.00 0.00 C ATOM 2108 C TYR A 220 1.370 -2.132 12.445 1.00 0.00 C ATOM 2109 O TYR A 220 1.349 -1.555 11.361 1.00 0.00 O ATOM 2110 CB TYR A 220 1.789 -4.585 12.297 1.00 0.00 C ATOM 2111 CG TYR A 220 2.982 -4.587 13.233 1.00 0.00 C ATOM 2112 CD1 TYR A 220 2.855 -5.086 14.543 1.00 0.00 C ATOM 2113 CD2 TYR A 220 4.224 -4.088 12.793 1.00 0.00 C ATOM 2114 CE1 TYR A 220 3.968 -5.101 15.403 1.00 0.00 C ATOM 2115 CE2 TYR A 220 5.334 -4.095 13.654 1.00 0.00 C ATOM 2116 CZ TYR A 220 5.209 -4.608 14.957 1.00 0.00 C ATOM 2117 OH TYR A 220 6.293 -4.628 15.786 1.00 0.00 O ATOM 0 H TYR A 220 -0.271 -4.585 11.037 1.00 0.00 H new ATOM 0 HA TYR A 220 0.279 -3.628 13.551 1.00 0.00 H new ATOM 0 HB2 TYR A 220 1.319 -5.567 12.343 1.00 0.00 H new ATOM 0 HB3 TYR A 220 2.155 -4.454 11.279 1.00 0.00 H new ATOM 0 HD1 TYR A 220 1.902 -5.458 14.888 1.00 0.00 H new ATOM 0 HD2 TYR A 220 4.323 -3.699 11.790 1.00 0.00 H new ATOM 0 HE1 TYR A 220 3.871 -5.491 16.406 1.00 0.00 H new ATOM 0 HE2 TYR A 220 6.283 -3.706 13.315 1.00 0.00 H new ATOM 0 HH TYR A 220 7.068 -4.252 15.320 1.00 0.00 H new ATOM 2127 N PRO A 221 1.950 -1.563 13.521 1.00 0.00 N ATOM 2128 CA PRO A 221 2.355 -0.165 13.571 1.00 0.00 C ATOM 2129 C PRO A 221 3.481 0.379 12.714 1.00 0.00 C ATOM 2130 O PRO A 221 3.551 1.608 12.701 1.00 0.00 O ATOM 2131 CB PRO A 221 2.927 0.047 14.965 1.00 0.00 C ATOM 2132 CG PRO A 221 2.021 -0.836 15.806 1.00 0.00 C ATOM 2133 CD PRO A 221 1.941 -2.060 14.897 1.00 0.00 C ATOM 0 HA PRO A 221 1.448 0.333 13.229 1.00 0.00 H new ATOM 0 HB2 PRO A 221 3.971 -0.258 15.030 1.00 0.00 H new ATOM 0 HB3 PRO A 221 2.881 1.092 15.272 1.00 0.00 H new ATOM 0 HG2 PRO A 221 2.450 -1.067 16.781 1.00 0.00 H new ATOM 0 HG3 PRO A 221 1.046 -0.384 15.985 1.00 0.00 H new ATOM 0 HD2 PRO A 221 2.784 -2.728 15.073 1.00 0.00 H new ATOM 0 HD3 PRO A 221 1.034 -2.631 15.096 1.00 0.00 H new ATOM 2141 N LEU A 222 4.368 -0.385 12.045 1.00 0.00 N ATOM 2142 CA LEU A 222 5.459 0.337 11.423 1.00 0.00 C ATOM 2143 C LEU A 222 6.328 -0.529 10.485 1.00 0.00 C ATOM 2144 O LEU A 222 6.058 -1.707 10.257 1.00 0.00 O ATOM 2145 CB LEU A 222 6.356 0.879 12.562 1.00 0.00 C ATOM 2146 CG LEU A 222 7.276 2.052 12.195 1.00 0.00 C ATOM 2147 CD1 LEU A 222 8.727 1.550 12.067 1.00 0.00 C ATOM 2148 CD2 LEU A 222 6.778 2.834 10.943 1.00 0.00 C ATOM 0 H LEU A 222 4.350 -1.399 11.934 1.00 0.00 H new ATOM 0 HA LEU A 222 5.027 1.124 10.804 1.00 0.00 H new ATOM 0 HB2 LEU A 222 5.714 1.191 13.386 1.00 0.00 H new ATOM 0 HB3 LEU A 222 6.974 0.061 12.932 1.00 0.00 H new ATOM 0 HG LEU A 222 7.248 2.784 13.002 1.00 0.00 H new ATOM 0 HD11 LEU A 222 9.379 2.384 11.806 1.00 0.00 H new ATOM 0 HD12 LEU A 222 9.049 1.121 13.016 1.00 0.00 H new ATOM 0 HD13 LEU A 222 8.782 0.790 11.288 1.00 0.00 H new ATOM 0 HD21 LEU A 222 7.465 3.652 10.728 1.00 0.00 H new ATOM 0 HD22 LEU A 222 6.736 2.161 10.087 1.00 0.00 H new ATOM 0 HD23 LEU A 222 5.784 3.237 11.137 1.00 0.00 H new ATOM 2160 N TYR A 223 7.379 0.122 9.964 1.00 0.00 N ATOM 2161 CA TYR A 223 8.389 -0.239 8.983 1.00 0.00 C ATOM 2162 C TYR A 223 9.535 -1.105 9.527 1.00 0.00 C ATOM 2163 O TYR A 223 10.687 -0.990 9.135 1.00 0.00 O ATOM 2164 CB TYR A 223 8.814 1.064 8.257 1.00 0.00 C ATOM 2165 CG TYR A 223 9.549 0.829 6.945 1.00 0.00 C ATOM 2166 CD1 TYR A 223 8.946 -0.042 6.037 1.00 0.00 C ATOM 2167 CD2 TYR A 223 10.946 0.902 6.909 1.00 0.00 C ATOM 2168 CE1 TYR A 223 9.622 -1.214 5.659 1.00 0.00 C ATOM 2169 CE2 TYR A 223 11.678 -0.208 6.442 1.00 0.00 C ATOM 2170 CZ TYR A 223 10.991 -1.325 5.935 1.00 0.00 C ATOM 2171 OH TYR A 223 11.636 -2.500 5.695 1.00 0.00 O ATOM 0 H TYR A 223 7.558 1.074 10.285 1.00 0.00 H new ATOM 0 HA TYR A 223 7.964 -0.925 8.250 1.00 0.00 H new ATOM 0 HB2 TYR A 223 7.926 1.665 8.062 1.00 0.00 H new ATOM 0 HB3 TYR A 223 9.453 1.646 8.921 1.00 0.00 H new ATOM 0 HD1 TYR A 223 7.971 0.182 5.630 1.00 0.00 H new ATOM 0 HD2 TYR A 223 11.456 1.797 7.235 1.00 0.00 H new ATOM 0 HE1 TYR A 223 9.095 -2.016 5.164 1.00 0.00 H new ATOM 0 HE2 TYR A 223 12.758 -0.201 6.473 1.00 0.00 H new ATOM 0 HH TYR A 223 11.204 -2.963 4.947 1.00 0.00 H new ATOM 2181 N HIS A 224 9.160 -2.054 10.376 1.00 0.00 N ATOM 2182 CA HIS A 224 9.932 -3.131 10.968 1.00 0.00 C ATOM 2183 C HIS A 224 8.970 -4.293 10.731 1.00 0.00 C ATOM 2184 O HIS A 224 8.445 -4.903 11.661 1.00 0.00 O ATOM 2185 CB HIS A 224 10.233 -2.848 12.445 1.00 0.00 C ATOM 2186 CG HIS A 224 10.894 -4.003 13.153 1.00 0.00 C ATOM 2187 ND1 HIS A 224 11.979 -4.679 12.595 1.00 0.00 N ATOM 2188 CD2 HIS A 224 10.572 -4.591 14.348 1.00 0.00 C ATOM 2189 CE1 HIS A 224 12.271 -5.640 13.475 1.00 0.00 C ATOM 2190 NE2 HIS A 224 11.457 -5.630 14.543 1.00 0.00 N ATOM 0 H HIS A 224 8.194 -2.087 10.701 1.00 0.00 H new ATOM 0 HA HIS A 224 10.927 -3.302 10.556 1.00 0.00 H new ATOM 0 HB2 HIS A 224 10.877 -1.972 12.515 1.00 0.00 H new ATOM 0 HB3 HIS A 224 9.303 -2.602 12.957 1.00 0.00 H new ATOM 0 HD2 HIS A 224 9.774 -4.296 15.013 1.00 0.00 H new ATOM 0 HE1 HIS A 224 13.075 -6.349 13.342 1.00 0.00 H new ATOM 0 HE2 HIS A 224 11.487 -6.265 15.340 1.00 0.00 H new ATOM 2198 N SER A 225 8.711 -4.519 9.435 1.00 0.00 N ATOM 2199 CA SER A 225 7.723 -5.434 8.902 1.00 0.00 C ATOM 2200 C SER A 225 8.069 -6.918 9.049 1.00 0.00 C ATOM 2201 O SER A 225 8.461 -7.605 8.112 1.00 0.00 O ATOM 2202 CB SER A 225 7.443 -4.989 7.462 1.00 0.00 C ATOM 2203 OG SER A 225 8.451 -5.367 6.548 1.00 0.00 O ATOM 0 H SER A 225 9.222 -4.034 8.698 1.00 0.00 H new ATOM 0 HA SER A 225 6.813 -5.375 9.498 1.00 0.00 H new ATOM 0 HB2 SER A 225 6.493 -5.413 7.138 1.00 0.00 H new ATOM 0 HB3 SER A 225 7.332 -3.905 7.440 1.00 0.00 H new ATOM 0 HG SER A 225 8.788 -6.257 6.782 1.00 0.00 H new ATOM 2209 N LEU A 226 7.866 -7.361 10.289 1.00 0.00 N ATOM 2210 CA LEU A 226 7.926 -8.687 10.889 1.00 0.00 C ATOM 2211 C LEU A 226 7.711 -9.805 9.877 1.00 0.00 C ATOM 2212 O LEU A 226 8.590 -10.634 9.651 1.00 0.00 O ATOM 2213 CB LEU A 226 6.808 -8.792 11.963 1.00 0.00 C ATOM 2214 CG LEU A 226 5.793 -7.629 12.034 1.00 0.00 C ATOM 2215 CD1 LEU A 226 4.759 -7.567 10.900 1.00 0.00 C ATOM 2216 CD2 LEU A 226 5.073 -7.792 13.371 1.00 0.00 C ATOM 0 H LEU A 226 7.615 -6.682 11.007 1.00 0.00 H new ATOM 0 HA LEU A 226 8.922 -8.807 11.314 1.00 0.00 H new ATOM 0 HB2 LEU A 226 6.255 -9.714 11.787 1.00 0.00 H new ATOM 0 HB3 LEU A 226 7.284 -8.887 12.939 1.00 0.00 H new ATOM 0 HG LEU A 226 6.348 -6.697 11.930 1.00 0.00 H new ATOM 0 HD11 LEU A 226 4.101 -6.712 11.054 1.00 0.00 H new ATOM 0 HD12 LEU A 226 5.273 -7.462 9.944 1.00 0.00 H new ATOM 0 HD13 LEU A 226 4.169 -8.483 10.895 1.00 0.00 H new ATOM 0 HD21 LEU A 226 4.336 -6.997 13.487 1.00 0.00 H new ATOM 0 HD22 LEU A 226 4.571 -8.759 13.398 1.00 0.00 H new ATOM 0 HD23 LEU A 226 5.797 -7.736 14.184 1.00 0.00 H new ATOM 2228 N THR A 227 6.502 -9.828 9.314 1.00 0.00 N ATOM 2229 CA THR A 227 6.016 -10.845 8.413 1.00 0.00 C ATOM 2230 C THR A 227 6.814 -10.853 7.099 1.00 0.00 C ATOM 2231 O THR A 227 6.984 -11.929 6.531 1.00 0.00 O ATOM 2232 CB THR A 227 4.504 -10.612 8.217 1.00 0.00 C ATOM 2233 OG1 THR A 227 4.026 -11.589 7.321 1.00 0.00 O ATOM 2234 CG2 THR A 227 4.165 -9.198 7.704 1.00 0.00 C ATOM 0 H THR A 227 5.811 -9.098 9.490 1.00 0.00 H new ATOM 0 HA THR A 227 6.162 -11.841 8.831 1.00 0.00 H new ATOM 0 HB THR A 227 4.017 -10.696 9.189 1.00 0.00 H new ATOM 0 HG1 THR A 227 3.090 -11.792 7.527 1.00 0.00 H new ATOM 0 HG21 THR A 227 3.085 -9.102 7.588 1.00 0.00 H new ATOM 0 HG22 THR A 227 4.521 -8.456 8.419 1.00 0.00 H new ATOM 0 HG23 THR A 227 4.649 -9.035 6.741 1.00 0.00 H new ATOM 2242 N ASP A 228 7.304 -9.682 6.648 1.00 0.00 N ATOM 2243 CA ASP A 228 8.096 -9.472 5.413 1.00 0.00 C ATOM 2244 C ASP A 228 7.392 -9.944 4.121 1.00 0.00 C ATOM 2245 O ASP A 228 6.823 -11.033 4.073 1.00 0.00 O ATOM 2246 CB ASP A 228 9.456 -10.179 5.524 1.00 0.00 C ATOM 2247 CG ASP A 228 10.329 -9.592 6.630 1.00 0.00 C ATOM 2248 OD1 ASP A 228 10.753 -8.427 6.463 1.00 0.00 O ATOM 2249 OD2 ASP A 228 10.567 -10.319 7.618 1.00 0.00 O ATOM 0 H ASP A 228 7.153 -8.812 7.158 1.00 0.00 H new ATOM 0 HA ASP A 228 8.221 -8.392 5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 228 9.296 -11.240 5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 228 9.981 -10.103 4.572 1.00 0.00 H new ATOM 2254 N LEU A 229 7.419 -9.121 3.056 1.00 0.00 N ATOM 2255 CA LEU A 229 6.690 -9.416 1.822 1.00 0.00 C ATOM 2256 C LEU A 229 7.444 -10.442 0.968 1.00 0.00 C ATOM 2257 O LEU A 229 8.253 -10.112 0.102 1.00 0.00 O ATOM 2258 CB LEU A 229 6.389 -8.121 1.056 1.00 0.00 C ATOM 2259 CG LEU A 229 5.286 -8.174 -0.036 1.00 0.00 C ATOM 2260 CD1 LEU A 229 5.193 -9.473 -0.818 1.00 0.00 C ATOM 2261 CD2 LEU A 229 3.873 -8.005 0.481 1.00 0.00 C ATOM 0 H LEU A 229 7.942 -8.245 3.032 1.00 0.00 H new ATOM 0 HA LEU A 229 5.733 -9.870 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 229 6.107 -7.358 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 229 7.313 -7.786 0.585 1.00 0.00 H new ATOM 0 HG LEU A 229 5.619 -7.342 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 229 4.391 -9.399 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 229 6.137 -9.658 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 229 4.984 -10.295 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 229 3.172 -8.056 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 229 3.649 -8.799 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 229 3.780 -7.038 0.975 1.00 0.00 H new ATOM 2273 N THR A 230 7.104 -11.701 1.242 1.00 0.00 N ATOM 2274 CA THR A 230 7.515 -12.933 0.568 1.00 0.00 C ATOM 2275 C THR A 230 6.413 -13.994 0.728 1.00 0.00 C ATOM 2276 O THR A 230 6.167 -14.809 -0.159 1.00 0.00 O ATOM 2277 CB THR A 230 8.879 -13.403 1.107 1.00 0.00 C ATOM 2278 OG1 THR A 230 9.280 -14.554 0.394 1.00 0.00 O ATOM 2279 CG2 THR A 230 8.855 -13.745 2.602 1.00 0.00 C ATOM 0 H THR A 230 6.472 -11.904 2.017 1.00 0.00 H new ATOM 0 HA THR A 230 7.645 -12.754 -0.499 1.00 0.00 H new ATOM 0 HB THR A 230 9.576 -12.576 0.972 1.00 0.00 H new ATOM 0 HG1 THR A 230 10.149 -14.860 0.729 1.00 0.00 H new ATOM 0 HG21 THR A 230 9.847 -14.069 2.917 1.00 0.00 H new ATOM 0 HG22 THR A 230 8.563 -12.863 3.172 1.00 0.00 H new ATOM 0 HG23 THR A 230 8.138 -14.546 2.780 1.00 0.00 H new ATOM 2287 N ARG A 231 5.750 -13.921 1.880 1.00 0.00 N ATOM 2288 CA ARG A 231 4.593 -14.645 2.373 1.00 0.00 C ATOM 2289 C ARG A 231 4.152 -13.752 3.532 1.00 0.00 C ATOM 2290 O ARG A 231 4.269 -14.106 4.705 1.00 0.00 O ATOM 2291 CB ARG A 231 4.968 -16.074 2.792 1.00 0.00 C ATOM 2292 CG ARG A 231 3.726 -16.871 3.208 1.00 0.00 C ATOM 2293 CD ARG A 231 4.113 -18.286 3.640 1.00 0.00 C ATOM 2294 NE ARG A 231 2.929 -19.050 4.051 1.00 0.00 N ATOM 2295 CZ ARG A 231 2.949 -20.321 4.487 1.00 0.00 C ATOM 2296 NH1 ARG A 231 4.100 -21.003 4.577 1.00 0.00 N ATOM 2297 NH2 ARG A 231 1.800 -20.916 4.837 1.00 0.00 N ATOM 0 H ARG A 231 6.063 -13.254 2.585 1.00 0.00 H new ATOM 0 HA ARG A 231 3.799 -14.806 1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 231 5.468 -16.579 1.966 1.00 0.00 H new ATOM 0 HB3 ARG A 231 5.676 -16.040 3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 231 3.218 -16.361 4.027 1.00 0.00 H new ATOM 0 HG3 ARG A 231 3.023 -16.919 2.377 1.00 0.00 H new ATOM 0 HD2 ARG A 231 4.614 -18.798 2.818 1.00 0.00 H new ATOM 0 HD3 ARG A 231 4.824 -18.237 4.465 1.00 0.00 H new ATOM 0 HE ARG A 231 2.024 -18.582 4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 231 4.979 -20.558 4.312 1.00 0.00 H new ATOM 0 HH12 ARG A 231 4.097 -21.967 4.910 1.00 0.00 H new ATOM 0 HH21 ARG A 231 0.920 -20.404 4.771 1.00 0.00 H new ATOM 0 HH22 ARG A 231 1.806 -21.880 5.169 1.00 0.00 H new ATOM 2311 N PHE A 232 3.688 -12.552 3.165 1.00 0.00 N ATOM 2312 CA PHE A 232 3.350 -11.468 4.069 1.00 0.00 C ATOM 2313 C PHE A 232 2.129 -11.636 4.955 1.00 0.00 C ATOM 2314 O PHE A 232 1.840 -10.642 5.617 1.00 0.00 O ATOM 2315 CB PHE A 232 3.137 -10.223 3.203 1.00 0.00 C ATOM 2316 CG PHE A 232 3.433 -8.846 3.784 1.00 0.00 C ATOM 2317 CD1 PHE A 232 4.537 -8.631 4.627 1.00 0.00 C ATOM 2318 CD2 PHE A 232 2.737 -7.730 3.286 1.00 0.00 C ATOM 2319 CE1 PHE A 232 4.931 -7.331 4.983 1.00 0.00 C ATOM 2320 CE2 PHE A 232 3.140 -6.428 3.630 1.00 0.00 C ATOM 2321 CZ PHE A 232 4.197 -6.229 4.526 1.00 0.00 C ATOM 0 H PHE A 232 3.534 -12.308 2.186 1.00 0.00 H new ATOM 0 HA PHE A 232 4.179 -11.416 4.775 1.00 0.00 H new ATOM 0 HB2 PHE A 232 3.749 -10.339 2.308 1.00 0.00 H new ATOM 0 HB3 PHE A 232 2.096 -10.224 2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 232 5.090 -9.478 5.006 1.00 0.00 H new ATOM 0 HD2 PHE A 232 1.887 -7.874 2.635 1.00 0.00 H new ATOM 0 HE1 PHE A 232 5.799 -7.181 5.608 1.00 0.00 H new ATOM 0 HE2 PHE A 232 2.632 -5.577 3.201 1.00 0.00 H new ATOM 0 HZ PHE A 232 4.445 -5.233 4.862 1.00 0.00 H new ATOM 2331 N ARG A 233 1.456 -12.809 4.970 1.00 0.00 N ATOM 2332 CA ARG A 233 0.249 -13.147 5.751 1.00 0.00 C ATOM 2333 C ARG A 233 -0.236 -11.900 6.487 1.00 0.00 C ATOM 2334 O ARG A 233 0.138 -11.672 7.639 1.00 0.00 O ATOM 2335 CB ARG A 233 0.585 -14.282 6.730 1.00 0.00 C ATOM 2336 CG ARG A 233 -0.664 -14.754 7.489 1.00 0.00 C ATOM 2337 CD ARG A 233 -0.275 -15.607 8.698 1.00 0.00 C ATOM 2338 NE ARG A 233 -1.464 -15.963 9.482 1.00 0.00 N ATOM 2339 CZ ARG A 233 -1.467 -16.310 10.780 1.00 0.00 C ATOM 2340 NH1 ARG A 233 -0.325 -16.419 11.476 1.00 0.00 N ATOM 2341 NH2 ARG A 233 -2.634 -16.550 11.393 1.00 0.00 N ATOM 0 H ARG A 233 1.764 -13.595 4.398 1.00 0.00 H new ATOM 0 HA ARG A 233 -0.551 -13.488 5.094 1.00 0.00 H new ATOM 0 HB2 ARG A 233 1.019 -15.119 6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 233 1.338 -13.941 7.441 1.00 0.00 H new ATOM 0 HG2 ARG A 233 -1.243 -13.891 7.818 1.00 0.00 H new ATOM 0 HG3 ARG A 233 -1.304 -15.331 6.822 1.00 0.00 H new ATOM 0 HD2 ARG A 233 0.231 -16.512 8.363 1.00 0.00 H new ATOM 0 HD3 ARG A 233 0.430 -15.060 9.324 1.00 0.00 H new ATOM 0 HE ARG A 233 -2.363 -15.945 9.001 1.00 0.00 H new ATOM 0 HH11 ARG A 233 0.569 -16.237 11.020 1.00 0.00 H new ATOM 0 HH12 ARG A 233 -0.351 -16.684 12.461 1.00 0.00 H new ATOM 0 HH21 ARG A 233 -3.509 -16.469 10.875 1.00 0.00 H new ATOM 0 HH22 ARG A 233 -2.648 -16.814 12.378 1.00 0.00 H new ATOM 2355 N LEU A 234 -1.017 -11.063 5.789 1.00 0.00 N ATOM 2356 CA LEU A 234 -1.425 -9.773 6.275 1.00 0.00 C ATOM 2357 C LEU A 234 -2.355 -9.873 7.495 1.00 0.00 C ATOM 2358 O LEU A 234 -2.484 -10.922 8.125 1.00 0.00 O ATOM 2359 CB LEU A 234 -2.063 -9.010 5.096 1.00 0.00 C ATOM 2360 CG LEU A 234 -1.429 -8.889 3.666 1.00 0.00 C ATOM 2361 CD1 LEU A 234 -1.070 -10.161 2.906 1.00 0.00 C ATOM 2362 CD2 LEU A 234 -2.518 -8.244 2.833 1.00 0.00 C ATOM 0 H LEU A 234 -1.378 -11.283 4.861 1.00 0.00 H new ATOM 0 HA LEU A 234 -0.558 -9.221 6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 234 -3.050 -9.449 4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 234 -2.216 -7.989 5.445 1.00 0.00 H new ATOM 0 HG LEU A 234 -0.482 -8.370 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 234 -0.644 -9.898 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 234 -0.342 -10.734 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 234 -1.968 -10.761 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 234 -2.166 -8.117 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 234 -3.403 -8.880 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 234 -2.769 -7.270 3.254 1.00 0.00 H new ATOM 2374 N SER A 235 -2.987 -8.745 7.829 1.00 0.00 N ATOM 2375 CA SER A 235 -3.834 -8.510 8.997 1.00 0.00 C ATOM 2376 C SER A 235 -4.931 -9.546 9.324 1.00 0.00 C ATOM 2377 O SER A 235 -5.193 -10.521 8.624 1.00 0.00 O ATOM 2378 CB SER A 235 -4.417 -7.111 8.721 1.00 0.00 C ATOM 2379 OG SER A 235 -5.433 -6.712 9.623 1.00 0.00 O ATOM 0 H SER A 235 -2.913 -7.912 7.246 1.00 0.00 H new ATOM 0 HA SER A 235 -3.233 -8.600 9.902 1.00 0.00 H new ATOM 0 HB2 SER A 235 -3.609 -6.380 8.757 1.00 0.00 H new ATOM 0 HB3 SER A 235 -4.819 -7.092 7.708 1.00 0.00 H new ATOM 0 HG SER A 235 -5.420 -5.737 9.720 1.00 0.00 H new ATOM 2384 N GLN A 236 -5.602 -9.282 10.442 1.00 0.00 N ATOM 2385 CA GLN A 236 -6.766 -10.001 10.923 1.00 0.00 C ATOM 2386 C GLN A 236 -8.012 -9.406 10.221 1.00 0.00 C ATOM 2387 O GLN A 236 -9.076 -10.024 10.131 1.00 0.00 O ATOM 2388 CB GLN A 236 -6.787 -9.826 12.443 1.00 0.00 C ATOM 2389 CG GLN A 236 -7.935 -10.581 13.118 1.00 0.00 C ATOM 2390 CD GLN A 236 -7.863 -10.439 14.636 1.00 0.00 C ATOM 2391 OE1 GLN A 236 -7.425 -11.355 15.328 1.00 0.00 O ATOM 2392 NE2 GLN A 236 -8.294 -9.286 15.155 1.00 0.00 N ATOM 0 H GLN A 236 -5.330 -8.521 11.065 1.00 0.00 H new ATOM 0 HA GLN A 236 -6.749 -11.068 10.699 1.00 0.00 H new ATOM 0 HB2 GLN A 236 -5.840 -10.173 12.856 1.00 0.00 H new ATOM 0 HB3 GLN A 236 -6.869 -8.765 12.680 1.00 0.00 H new ATOM 0 HG2 GLN A 236 -8.889 -10.197 12.758 1.00 0.00 H new ATOM 0 HG3 GLN A 236 -7.892 -11.635 12.845 1.00 0.00 H new ATOM 0 HE21 GLN A 236 -8.650 -8.552 14.542 1.00 0.00 H new ATOM 0 HE22 GLN A 236 -8.267 -9.139 16.164 1.00 0.00 H new ATOM 2401 N ASP A 237 -7.851 -8.178 9.708 1.00 0.00 N ATOM 2402 CA ASP A 237 -8.815 -7.444 8.909 1.00 0.00 C ATOM 2403 C ASP A 237 -8.517 -7.856 7.482 1.00 0.00 C ATOM 2404 O ASP A 237 -9.427 -7.901 6.663 1.00 0.00 O ATOM 2405 CB ASP A 237 -8.704 -5.933 9.126 1.00 0.00 C ATOM 2406 CG ASP A 237 -9.346 -5.498 10.444 1.00 0.00 C ATOM 2407 OD1 ASP A 237 -9.230 -6.261 11.428 1.00 0.00 O ATOM 2408 OD2 ASP A 237 -9.948 -4.403 10.448 1.00 0.00 O ATOM 0 H ASP A 237 -6.991 -7.649 9.854 1.00 0.00 H new ATOM 0 HA ASP A 237 -9.844 -7.675 9.184 1.00 0.00 H new ATOM 0 HB2 ASP A 237 -7.654 -5.641 9.120 1.00 0.00 H new ATOM 0 HB3 ASP A 237 -9.184 -5.411 8.298 1.00 0.00 H new ATOM 2413 N ASP A 238 -7.247 -8.195 7.202 1.00 0.00 N ATOM 2414 CA ASP A 238 -6.869 -8.764 5.916 1.00 0.00 C ATOM 2415 C ASP A 238 -7.713 -10.026 5.769 1.00 0.00 C ATOM 2416 O ASP A 238 -8.257 -10.278 4.706 1.00 0.00 O ATOM 2417 CB ASP A 238 -5.372 -9.114 5.882 1.00 0.00 C ATOM 2418 CG ASP A 238 -5.107 -10.494 5.258 1.00 0.00 C ATOM 2419 OD1 ASP A 238 -5.144 -10.565 4.011 1.00 0.00 O ATOM 2420 OD2 ASP A 238 -4.856 -11.446 6.028 1.00 0.00 O ATOM 0 H ASP A 238 -6.472 -8.081 7.855 1.00 0.00 H new ATOM 0 HA ASP A 238 -7.040 -8.058 5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 238 -4.836 -8.353 5.315 1.00 0.00 H new ATOM 0 HB3 ASP A 238 -4.974 -9.094 6.897 1.00 0.00 H new ATOM 2425 N ILE A 239 -7.855 -10.829 6.829 1.00 0.00 N ATOM 2426 CA ILE A 239 -8.748 -11.968 6.725 1.00 0.00 C ATOM 2427 C ILE A 239 -10.141 -11.441 6.385 1.00 0.00 C ATOM 2428 O ILE A 239 -10.664 -11.780 5.328 1.00 0.00 O ATOM 2429 CB ILE A 239 -8.754 -12.795 8.025 1.00 0.00 C ATOM 2430 CG1 ILE A 239 -7.340 -13.291 8.378 1.00 0.00 C ATOM 2431 CG2 ILE A 239 -9.685 -14.006 7.866 1.00 0.00 C ATOM 2432 CD1 ILE A 239 -7.250 -13.731 9.841 1.00 0.00 C ATOM 0 H ILE A 239 -7.384 -10.714 7.726 1.00 0.00 H new ATOM 0 HA ILE A 239 -8.407 -12.641 5.939 1.00 0.00 H new ATOM 0 HB ILE A 239 -9.109 -12.151 8.830 1.00 0.00 H new ATOM 0 HG12 ILE A 239 -7.073 -14.125 7.729 1.00 0.00 H new ATOM 0 HG13 ILE A 239 -6.617 -12.497 8.190 1.00 0.00 H new ATOM 0 HG21 ILE A 239 -9.686 -14.588 8.788 1.00 0.00 H new ATOM 0 HG22 ILE A 239 -10.697 -13.661 7.653 1.00 0.00 H new ATOM 0 HG23 ILE A 239 -9.334 -14.630 7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 239 -6.238 -14.075 10.056 1.00 0.00 H new ATOM 0 HD12 ILE A 239 -7.492 -12.889 10.490 1.00 0.00 H new ATOM 0 HD13 ILE A 239 -7.955 -14.542 10.021 1.00 0.00 H new ATOM 2444 N ASN A 240 -10.723 -10.577 7.227 1.00 0.00 N ATOM 2445 CA ASN A 240 -12.076 -10.080 6.977 1.00 0.00 C ATOM 2446 C ASN A 240 -12.095 -8.852 6.060 1.00 0.00 C ATOM 2447 O ASN A 240 -12.723 -7.835 6.349 1.00 0.00 O ATOM 2448 CB ASN A 240 -12.716 -9.748 8.316 1.00 0.00 C ATOM 2449 CG ASN A 240 -12.703 -10.935 9.278 1.00 0.00 C ATOM 2450 OD1 ASN A 240 -12.029 -10.896 10.306 1.00 0.00 O ATOM 2451 ND2 ASN A 240 -13.443 -11.995 8.942 1.00 0.00 N ATOM 0 H ASN A 240 -10.284 -10.214 8.073 1.00 0.00 H new ATOM 0 HA ASN A 240 -12.638 -10.857 6.459 1.00 0.00 H new ATOM 0 HB2 ASN A 240 -12.188 -8.910 8.770 1.00 0.00 H new ATOM 0 HB3 ASN A 240 -13.745 -9.426 8.154 1.00 0.00 H new ATOM 0 HD21 ASN A 240 -13.464 -12.815 9.548 1.00 0.00 H new ATOM 0 HD22 ASN A 240 -13.987 -11.984 8.079 1.00 0.00 H new ATOM 2458 N GLY A 241 -11.398 -8.983 4.935 1.00 0.00 N ATOM 2459 CA GLY A 241 -11.271 -7.990 3.891 1.00 0.00 C ATOM 2460 C GLY A 241 -10.826 -8.655 2.591 1.00 0.00 C ATOM 2461 O GLY A 241 -11.573 -8.658 1.620 1.00 0.00 O ATOM 0 H GLY A 241 -10.880 -9.836 4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 241 -12.224 -7.483 3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 241 -10.548 -7.230 4.187 1.00 0.00 H new ATOM 2465 N ILE A 242 -9.614 -9.220 2.572 1.00 0.00 N ATOM 2466 CA ILE A 242 -8.988 -9.858 1.423 1.00 0.00 C ATOM 2467 C ILE A 242 -9.678 -11.200 1.131 1.00 0.00 C ATOM 2468 O ILE A 242 -9.621 -11.716 0.016 1.00 0.00 O ATOM 2469 CB ILE A 242 -7.478 -9.918 1.705 1.00 0.00 C ATOM 2470 CG1 ILE A 242 -6.765 -8.769 0.974 1.00 0.00 C ATOM 2471 CG2 ILE A 242 -6.884 -11.262 1.322 1.00 0.00 C ATOM 2472 CD1 ILE A 242 -7.151 -7.420 1.594 1.00 0.00 C ATOM 0 H ILE A 242 -9.019 -9.243 3.400 1.00 0.00 H new ATOM 0 HA ILE A 242 -9.110 -9.297 0.496 1.00 0.00 H new ATOM 0 HB ILE A 242 -7.328 -9.802 2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 242 -5.685 -8.907 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 242 -7.032 -8.781 -0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 242 -5.815 -11.262 1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 242 -7.370 -12.051 1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 242 -7.040 -11.439 0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 242 -6.638 -6.617 1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 242 -8.229 -7.277 1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 242 -6.861 -7.406 2.645 1.00 0.00 H new ATOM 2484 N GLN A 243 -10.404 -11.748 2.108 1.00 0.00 N ATOM 2485 CA GLN A 243 -11.199 -12.945 1.902 1.00 0.00 C ATOM 2486 C GLN A 243 -12.554 -12.509 1.338 1.00 0.00 C ATOM 2487 O GLN A 243 -13.549 -13.214 1.487 1.00 0.00 O ATOM 2488 CB GLN A 243 -11.356 -13.618 3.263 1.00 0.00 C ATOM 2489 CG GLN A 243 -11.854 -15.062 3.323 1.00 0.00 C ATOM 2490 CD GLN A 243 -12.171 -15.465 4.760 1.00 0.00 C ATOM 2491 OE1 GLN A 243 -13.312 -15.345 5.203 1.00 0.00 O ATOM 2492 NE2 GLN A 243 -11.163 -15.950 5.490 1.00 0.00 N ATOM 0 H GLN A 243 -10.453 -11.372 3.055 1.00 0.00 H new ATOM 0 HA GLN A 243 -10.738 -13.645 1.205 1.00 0.00 H new ATOM 0 HB2 GLN A 243 -10.387 -13.583 3.761 1.00 0.00 H new ATOM 0 HB3 GLN A 243 -12.040 -13.009 3.854 1.00 0.00 H new ATOM 0 HG2 GLN A 243 -12.745 -15.170 2.705 1.00 0.00 H new ATOM 0 HG3 GLN A 243 -11.097 -15.730 2.911 1.00 0.00 H new ATOM 0 HE21 GLN A 243 -10.232 -16.032 5.082 1.00 0.00 H new ATOM 0 HE22 GLN A 243 -11.325 -16.238 6.455 1.00 0.00 H new ATOM 2501 N SER A 244 -12.613 -11.298 0.770 1.00 0.00 N ATOM 2502 CA SER A 244 -13.801 -10.727 0.176 1.00 0.00 C ATOM 2503 C SER A 244 -13.517 -10.359 -1.252 1.00 0.00 C ATOM 2504 O SER A 244 -14.300 -10.600 -2.165 1.00 0.00 O ATOM 2505 CB SER A 244 -14.282 -9.593 1.037 1.00 0.00 C ATOM 2506 OG SER A 244 -14.101 -9.899 2.408 1.00 0.00 O ATOM 0 H SER A 244 -11.804 -10.679 0.716 1.00 0.00 H new ATOM 0 HA SER A 244 -14.621 -11.444 0.137 1.00 0.00 H new ATOM 0 HB2 SER A 244 -13.738 -8.682 0.787 1.00 0.00 H new ATOM 0 HB3 SER A 244 -15.336 -9.399 0.838 1.00 0.00 H new ATOM 0 HG SER A 244 -13.277 -9.478 2.731 1.00 0.00 H new ATOM 2512 N LEU A 245 -12.328 -9.750 -1.352 1.00 0.00 N ATOM 2513 CA LEU A 245 -11.621 -9.336 -2.531 1.00 0.00 C ATOM 2514 C LEU A 245 -11.688 -10.533 -3.449 1.00 0.00 C ATOM 2515 O LEU A 245 -12.236 -10.512 -4.534 1.00 0.00 O ATOM 2516 CB LEU A 245 -10.183 -9.079 -2.139 1.00 0.00 C ATOM 2517 CG LEU A 245 -9.738 -7.658 -1.869 1.00 0.00 C ATOM 2518 CD1 LEU A 245 -9.864 -6.795 -3.130 1.00 0.00 C ATOM 2519 CD2 LEU A 245 -10.523 -7.013 -0.728 1.00 0.00 C ATOM 0 H LEU A 245 -11.799 -9.520 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 245 -12.029 -8.439 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 245 -9.977 -9.664 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 245 -9.550 -9.477 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 245 -8.691 -7.712 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 245 -9.538 -5.779 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 245 -9.240 -7.213 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 245 -10.903 -6.780 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 245 -10.168 -5.994 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 245 -11.583 -6.993 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 245 -10.379 -7.591 0.185 1.00 0.00 H new ATOM 2531 N TYR A 246 -11.133 -11.640 -2.990 1.00 0.00 N ATOM 2532 CA TYR A 246 -11.253 -12.891 -3.682 1.00 0.00 C ATOM 2533 C TYR A 246 -12.670 -13.440 -3.933 1.00 0.00 C ATOM 2534 O TYR A 246 -12.812 -14.630 -4.212 1.00 0.00 O ATOM 2535 CB TYR A 246 -10.476 -13.841 -2.808 1.00 0.00 C ATOM 2536 CG TYR A 246 -10.897 -14.280 -1.423 1.00 0.00 C ATOM 2537 CD1 TYR A 246 -12.251 -14.419 -1.078 1.00 0.00 C ATOM 2538 CD2 TYR A 246 -9.928 -14.952 -0.651 1.00 0.00 C ATOM 2539 CE1 TYR A 246 -12.639 -15.415 -0.169 1.00 0.00 C ATOM 2540 CE2 TYR A 246 -10.311 -15.929 0.277 1.00 0.00 C ATOM 2541 CZ TYR A 246 -11.672 -16.250 0.419 1.00 0.00 C ATOM 2542 OH TYR A 246 -12.058 -17.323 1.168 1.00 0.00 O ATOM 0 H TYR A 246 -10.589 -11.688 -2.128 1.00 0.00 H new ATOM 0 HA TYR A 246 -10.890 -12.761 -4.701 1.00 0.00 H new ATOM 0 HB2 TYR A 246 -10.357 -14.755 -3.390 1.00 0.00 H new ATOM 0 HB3 TYR A 246 -9.484 -13.403 -2.696 1.00 0.00 H new ATOM 0 HD1 TYR A 246 -12.991 -13.762 -1.511 1.00 0.00 H new ATOM 0 HD2 TYR A 246 -8.882 -14.712 -0.776 1.00 0.00 H new ATOM 0 HE1 TYR A 246 -13.682 -15.541 0.080 1.00 0.00 H new ATOM 0 HE2 TYR A 246 -9.567 -16.431 0.878 1.00 0.00 H new ATOM 0 HH TYR A 246 -11.265 -17.793 1.499 1.00 0.00 H new ATOM 2552 N GLY A 247 -13.709 -12.604 -3.837 1.00 0.00 N ATOM 2553 CA GLY A 247 -15.099 -12.970 -4.030 1.00 0.00 C ATOM 2554 C GLY A 247 -15.384 -13.761 -5.311 1.00 0.00 C ATOM 2555 O GLY A 247 -16.154 -14.718 -5.242 1.00 0.00 O ATOM 0 H GLY A 247 -13.590 -11.616 -3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 247 -15.427 -13.561 -3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 247 -15.701 -12.062 -4.039 1.00 0.00 H new ATOM 2559 N PRO A 248 -14.810 -13.399 -6.476 1.00 0.00 N ATOM 2560 CA PRO A 248 -15.119 -14.055 -7.741 1.00 0.00 C ATOM 2561 C PRO A 248 -14.701 -15.528 -7.728 1.00 0.00 C ATOM 2562 O PRO A 248 -15.513 -16.354 -8.197 1.00 0.00 O ATOM 2563 CB PRO A 248 -14.367 -13.273 -8.823 1.00 0.00 C ATOM 2564 CG PRO A 248 -14.128 -11.913 -8.172 1.00 0.00 C ATOM 2565 CD PRO A 248 -13.888 -12.300 -6.715 1.00 0.00 C ATOM 0 HA PRO A 248 -16.193 -14.053 -7.928 1.00 0.00 H new ATOM 0 HB2 PRO A 248 -13.430 -13.760 -9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 248 -14.955 -13.184 -9.737 1.00 0.00 H new ATOM 0 HG2 PRO A 248 -13.270 -11.398 -8.605 1.00 0.00 H new ATOM 0 HG3 PRO A 248 -14.986 -11.251 -8.283 1.00 0.00 H new ATOM 0 HD2 PRO A 248 -12.855 -12.605 -6.550 1.00 0.00 H new ATOM 0 HD3 PRO A 248 -14.084 -11.464 -6.044 1.00 0.00 H new TER 2573 PRO A 248 HETATM 2574 ZN ZN A 1 -3.621 3.338 8.457 1.00 0.00 ZN HETATM 2575 ZN ZN A 2 0.223 14.259 -1.186 1.00 0.00 ZN HETATM 2576 CA CA A 3 8.340 9.957 7.591 1.00 0.00 CA HETATM 2577 C11 0DS A 261 -0.278 1.538 10.708 1.00 0.00 C HETATM 2578 C21 0DS A 261 -1.497 2.326 10.223 1.00 0.00 C HETATM 2579 O21 0DS A 261 -2.359 1.769 9.542 1.00 0.00 O HETATM 2580 N3 0DS A 261 -1.596 3.603 10.615 1.00 0.00 N HETATM 2581 O3 0DS A 261 -2.604 4.251 10.293 1.00 0.00 O HETATM 2582 C1 0DS A 261 1.388 3.486 10.420 1.00 0.00 C HETATM 2583 O1 0DS A 261 0.910 4.322 9.655 1.00 0.00 O HETATM 2584 C2 0DS A 261 1.106 2.000 10.201 1.00 0.00 C HETATM 2585 C3 0DS A 261 1.480 1.628 8.755 1.00 0.00 C HETATM 2586 C4 0DS A 261 2.979 1.286 8.682 1.00 0.00 C HETATM 2587 C5 0DS A 261 3.551 1.671 7.316 1.00 0.00 C HETATM 2588 CM4 0DS A 261 3.211 -0.192 8.979 1.00 0.00 C HETATM 2589 N 0DS A 261 2.195 3.814 11.433 1.00 0.00 N HETATM 2590 CA 0DS A 261 2.633 5.176 11.686 1.00 0.00 C HETATM 2591 C 0DS A 261 3.855 5.122 12.599 1.00 0.00 C HETATM 2592 O 0DS A 261 3.757 4.575 13.698 1.00 0.00 O HETATM 2593 CB 0DS A 261 1.508 6.009 12.269 1.00 0.00 C HETATM 2594 CG 0DS A 261 1.428 7.399 11.582 1.00 0.00 C HETATM 2595 CD1 0DS A 261 2.758 8.177 11.610 1.00 0.00 C HETATM 2596 CD2 0DS A 261 0.950 7.334 10.115 1.00 0.00 C HETATM 2597 N1 0DS A 261 5.007 5.657 12.157 1.00 0.00 N HETATM 2598 CA1 0DS A 261 6.219 5.519 12.942 1.00 0.00 C HETATM 2599 C6 0DS A 261 6.192 6.593 14.038 1.00 0.00 C HETATM 2600 O2 0DS A 261 6.043 6.272 15.216 1.00 0.00 O HETATM 2601 CB1 0DS A 261 7.464 5.609 12.050 1.00 0.00 C HETATM 2602 CG1 0DS A 261 8.734 4.973 12.620 1.00 0.00 C HETATM 2603 CD11 0DS A 261 8.915 4.777 14.003 1.00 0.00 C HETATM 2604 CD21 0DS A 261 9.766 4.557 11.757 1.00 0.00 C HETATM 2605 CE1 0DS A 261 10.130 4.266 14.483 1.00 0.00 C HETATM 2606 CE2 0DS A 261 11.059 4.372 12.253 1.00 0.00 C HETATM 2607 CZ 0DS A 261 11.241 4.169 13.629 1.00 0.00 C HETATM 2608 N2 0DS A 261 6.307 7.869 13.660 1.00 0.00 N HETATM 0 HM43 0DS A 261 2.846 -0.424 9.980 1.00 0.00 H new HETATM 0 HM42 0DS A 261 2.676 -0.798 8.248 1.00 0.00 H new HETATM 0 HM41 0DS A 261 4.277 -0.412 8.922 1.00 0.00 H new HETATM 0 HD23 0DS A 261 1.640 6.722 9.534 1.00 0.00 H new HETATM 0 HD22 0DS A 261 -0.046 6.893 10.076 1.00 0.00 H new HETATM 0 HD21 0DS A 261 0.918 8.341 9.698 1.00 0.00 H new HETATM 0 HD13 0DS A 261 3.061 8.342 12.644 1.00 0.00 H new HETATM 0 HD12 0DS A 261 3.527 7.602 11.093 1.00 0.00 H new HETATM 0 HD11 0DS A 261 2.628 9.138 11.113 1.00 0.00 H new HETATM 0 HB31 0DS A 261 7.239 5.135 11.095 1.00 0.00 H new HETATM 0 HB21 0DS A 261 7.666 6.660 11.845 1.00 0.00 H new HETATM 0 HZ 0DS A 261 12.229 3.940 14.029 1.00 0.00 H new HETATM 0 HN2 0DS A 261 6.293 8.611 14.359 1.00 0.00 H new HETATM 0 HN1 0DS A 261 6.408 8.101 12.672 1.00 0.00 H new HETATM 0 HN 0DS A 261 -0.856 4.035 11.168 1.00 0.00 H new HETATM 0 HG 0DS A 261 0.687 7.929 12.181 1.00 0.00 H new HETATM 0 HE2 0DS A 261 11.916 4.385 11.579 1.00 0.00 H new HETATM 0 HE1 0DS A 261 10.212 3.943 15.521 1.00 0.00 H new HETATM 0 HD2 0DS A 261 9.556 4.379 10.702 1.00 0.00 H new HETATM 0 HD1 0DS A 261 8.113 5.022 14.699 1.00 0.00 H new HETATM 0 HB3 0DS A 261 0.561 5.484 12.146 1.00 0.00 H new HETATM 0 HB2 0DS A 261 1.664 6.138 13.340 1.00 0.00 H new HETATM 0 HA1 0DS A 261 6.267 4.537 13.412 1.00 0.00 H new HETATM 0 HA 0DS A 261 2.913 5.665 10.753 1.00 0.00 H new HETATM 0 H53 0DS A 261 3.025 1.124 6.534 1.00 0.00 H new HETATM 0 H52 0DS A 261 3.424 2.742 7.157 1.00 0.00 H new HETATM 0 H51 0DS A 261 4.612 1.422 7.282 1.00 0.00 H new HETATM 0 H4 0DS A 261 3.503 1.865 9.443 1.00 0.00 H new HETATM 0 H32 0DS A 261 0.886 0.777 8.422 1.00 0.00 H new HETATM 0 H31 0DS A 261 1.253 2.457 8.085 1.00 0.00 H new HETATM 0 H22 0DS A 261 1.752 1.405 10.846 1.00 0.00 H new HETATM 0 H13 0DS A 261 -0.267 1.569 11.797 1.00 0.00 H new HETATM 0 H12 0DS A 261 -0.413 0.495 10.420 1.00 0.00 H new HETATM 0 H1 0DS A 261 5.028 6.160 11.270 1.00 0.00 H new HETATM 0 H 0DS A 261 2.518 3.075 12.057 1.00 0.00 H new CONECT 1136 2575 CONECT 1157 2575 CONECT 1243 2576 CONECT 1252 2576 CONECT 1273 2576 CONECT 1294 2576 CONECT 1345 2575 CONECT 1503 2575 CONECT 1541 2576 CONECT 1578 2576 CONECT 1840 2574 CONECT 1897 2574 CONECT 1989 2574 CONECT 2574 1840 1897 1989 2579 CONECT 2574 2581 CONECT 2575 1136 1157 1345 1503 CONECT 2576 1243 1252 1273 1294 CONECT 2576 1541 1578 CONECT 2577 2578 2584 2609 2610 CONECT 2578 2577 2579 2580 CONECT 2579 2574 2578 CONECT 2580 2578 2581 2611 CONECT 2581 2574 2580 2612 CONECT 2582 2583 2584 2589 CONECT 2583 2582 CONECT 2584 2577 2582 2585 2613 CONECT 2585 2584 2586 2614 2615 CONECT 2586 2585 2587 2588 2616 CONECT 2587 2586 2617 2618 2619 CONECT 2588 2586 2620 2621 2622 CONECT 2589 2582 2590 2623 CONECT 2590 2589 2591 2593 2624 CONECT 2591 2590 2592 2597 CONECT 2592 2591 CONECT 2593 2590 2594 2625 2626 CONECT 2594 2593 2595 2596 2627 CONECT 2595 2594 2628 2629 2630 CONECT 2596 2594 2631 2632 2633 CONECT 2597 2591 2598 2634 CONECT 2598 2597 2599 2601 2635 CONECT 2599 2598 2600 2608 CONECT 2600 2599 CONECT 2601 2598 2602 2636 2637 CONECT 2602 2601 2603 2604 CONECT 2603 2602 2605 2638 CONECT 2604 2602 2606 2639 CONECT 2605 2603 2607 2640 CONECT 2606 2604 2607 2641 CONECT 2607 2605 2606 2642 CONECT 2608 2599 2643 2644 CONECT 2609 2577 CONECT 2610 2577 CONECT 2611 2580 CONECT 2612 2581 CONECT 2613 2584 CONECT 2614 2585 CONECT 2615 2585 CONECT 2616 2586 CONECT 2617 2587 CONECT 2618 2587 CONECT 2619 2587 CONECT 2620 2588 CONECT 2621 2588 CONECT 2622 2588 CONECT 2623 2589 CONECT 2624 2590 CONECT 2625 2593 CONECT 2626 2593 CONECT 2627 2594 CONECT 2628 2595 CONECT 2629 2595 CONECT 2630 2595 CONECT 2631 2596 CONECT 2632 2596 CONECT 2633 2596 CONECT 2634 2597 CONECT 2635 2598 CONECT 2636 2601 CONECT 2637 2601 CONECT 2638 2603 CONECT 2639 2604 CONECT 2640 2605 CONECT 2641 2606 CONECT 2642 2607 CONECT 2643 2608 CONECT 2644 2608 END