USER MOD reduce.3.24.130724 H: found=0, std=0, add=1290, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1296 hydrogens (18 hets) HEADER HYDROLASE 18-JUN-98 3USN TITLE STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST TITLE 2 STROMELYSIN-1 INHIBITED WITH THE THIADIAZOLE INHIBITOR TITLE 3 IPNU-107859, NMR, 1 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: STROMELYSIN-1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CATALYTIC DOMAIN, RESIDUES 83(1) - 250(168); COMPND 5 SYNONYM: MATRIX METALLOPROTEINASE-3, PROTEOGLYCANASE; 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 CELL_LINE: BL21; SOURCE 6 CELL: FIBROBLAST; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSEE (PSTRO255); SOURCE 0 EXPRESSION_SYSTEM_PLASMID: BL21 KEYWDS HYDROLASE, METALLOPROTEASE EXPDTA SOLUTION NMR AUTHOR B.J.STOCKMAN REVDAT 2 24-FEB-09 3USN 1 VERSN REVDAT 1 20-JAN-99 3USN 0 JRNL AUTH B.J.STOCKMAN,D.J.WALDON,J.A.GATES,T.A.SCAHILL, JRNL AUTH 2 D.A.KLOOSTERMAN,S.A.MIZSAK,E.J.JACOBSEN, JRNL AUTH 3 K.L.BELONGA,M.A.MITCHELL,B.MAO,J.D.PETKE,L.GOODMAN, JRNL AUTH 4 E.A.POWERS,S.R.LEDBETTER,P.S.KAYTES,G.VOGELI, JRNL AUTH 5 V.P.MARSHALL,G.L.PETZOLD,R.A.POORMAN JRNL TITL SOLUTION STRUCTURES OF STROMELYSIN COMPLEXED TO JRNL TITL 2 THIADIAZOLE INHIBITORS. JRNL REF PROTEIN SCI. V. 7 2281 1998 JRNL REFN ISSN 0961-8368 JRNL PMID 9827994 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER REMARK 3 AUTHORS : MSI REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3USN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 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) : 300 REMARK 210 PH : 6.6 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DISCOVER REMARK 210 METHOD USED : RESTRAINED ENERGY REMARK 210 MINIMIZATION AND RESTRAINED REMARK 210 MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 HIS A 14 CG HIS A 14 CD2 0.088 REMARK 500 GLU A 36 CD GLU A 36 OE2 0.126 REMARK 500 TRP A 42 CB TRP A 42 CG 0.112 REMARK 500 GLU A 43 CD GLU A 43 OE2 0.092 REMARK 500 GLU A 44 CD GLU A 44 OE2 0.069 REMARK 500 GLU A 55 CD GLU A 55 OE2 0.072 REMARK 500 GLU A 57 CD GLU A 57 OE2 0.108 REMARK 500 GLU A 68 CD GLU A 68 OE2 0.095 REMARK 500 HIS A 97 CG HIS A 97 CD2 0.090 REMARK 500 GLU A 102 CD GLU A 102 OE2 0.109 REMARK 500 HIS A 119 CG HIS A 119 CD2 0.060 REMARK 500 GLU A 120 CD GLU A 120 OE2 0.092 REMARK 500 HIS A 123 CG HIS A 123 CD2 0.072 REMARK 500 GLU A 134 CD GLU A 134 OE2 0.118 REMARK 500 HIS A 142 CG HIS A 142 CD2 0.056 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 ARG A 2 NE - CZ - NH1 ANGL. DEV. = 5.7 DEGREES REMARK 500 TRP A 10 CD1 - NE1 - CE2 ANGL. DEV. = -5.5 DEGREES REMARK 500 ARG A 11 NE - CZ - NH1 ANGL. DEV. = 4.8 DEGREES REMARK 500 ARG A 11 NE - CZ - NH2 ANGL. DEV. = -3.6 DEGREES REMARK 500 HIS A 14 ND1 - CE1 - NE2 ANGL. DEV. = 8.7 DEGREES REMARK 500 ARG A 18 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES REMARK 500 ARG A 18 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES REMARK 500 ASP A 25 CB - CG - OD1 ANGL. DEV. = 5.9 DEGREES REMARK 500 ASP A 25 CB - CG - OD2 ANGL. DEV. = -6.5 DEGREES REMARK 500 VAL A 31 CA - CB - CG2 ANGL. DEV. = 9.8 DEGREES REMARK 500 TRP A 42 CB - CA - C ANGL. DEV. = 14.1 DEGREES REMARK 500 VAL A 45 CG1 - CB - CG2 ANGL. DEV. = -10.3 DEGREES REMARK 500 VAL A 45 CA - CB - CG2 ANGL. DEV. = 15.1 DEGREES REMARK 500 ARG A 52 NE - CZ - NH1 ANGL. DEV. = 5.7 DEGREES REMARK 500 ARG A 52 NE - CZ - NH2 ANGL. DEV. = -6.7 DEGREES REMARK 500 ASP A 59 CB - CG - OD1 ANGL. DEV. = 9.7 DEGREES REMARK 500 ASP A 59 CB - CG - OD2 ANGL. DEV. = -7.1 DEGREES REMARK 500 SER A 63 N - CA - C ANGL. DEV. = 20.6 DEGREES REMARK 500 HIS A 69 ND1 - CE1 - NE2 ANGL. DEV. = 8.3 DEGREES REMARK 500 ASP A 71 CB - CG - OD1 ANGL. DEV. = 6.1 DEGREES REMARK 500 ASP A 71 CB - CG - OD2 ANGL. DEV. = -6.8 DEGREES REMARK 500 TYR A 73 CB - CG - CD1 ANGL. DEV. = -3.8 DEGREES REMARK 500 ASP A 76 CB - CG - OD1 ANGL. DEV. = 9.9 DEGREES REMARK 500 ASP A 76 CB - CG - OD2 ANGL. DEV. = -10.9 DEGREES REMARK 500 HIS A 84 N - CA - CB ANGL. DEV. = 12.0 DEGREES REMARK 500 HIS A 84 N - CA - C ANGL. DEV. = -19.6 DEGREES REMARK 500 ALA A 85 N - CA - CB ANGL. DEV. = 9.6 DEGREES REMARK 500 ASP A 95 CB - CG - OD1 ANGL. DEV. = 5.8 DEGREES REMARK 500 GLY A 94 CA - C - N ANGL. DEV. = -16.4 DEGREES REMARK 500 ALA A 96 CB - CA - C ANGL. DEV. = 10.5 DEGREES REMARK 500 HIS A 97 ND1 - CE1 - NE2 ANGL. DEV. = 12.0 DEGREES REMARK 500 ASP A 99 CB - CG - OD1 ANGL. DEV. = 8.2 DEGREES REMARK 500 ASP A 99 CB - CG - OD2 ANGL. DEV. = -12.3 DEGREES REMARK 500 ASP A 100 CB - CG - OD1 ANGL. DEV. = 5.9 DEGREES REMARK 500 ASP A 100 N - CA - C ANGL. DEV. = -17.2 DEGREES REMARK 500 ASP A 101 CB - CG - OD1 ANGL. DEV. = 6.0 DEGREES REMARK 500 ASP A 101 CB - CG - OD2 ANGL. DEV. = -11.0 DEGREES REMARK 500 TRP A 104 CD1 - NE1 - CE2 ANGL. DEV. = -6.3 DEGREES REMARK 500 ASP A 107 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES REMARK 500 PHE A 114 CB - CG - CD2 ANGL. DEV. = -5.0 DEGREES REMARK 500 HIS A 119 ND1 - CE1 - NE2 ANGL. DEV. = 8.7 DEGREES REMARK 500 HIS A 123 ND1 - CE1 - NE2 ANGL. DEV. = 12.0 DEGREES REMARK 500 HIS A 142 ND1 - CE1 - NE2 ANGL. DEV. = 9.4 DEGREES REMARK 500 ARG A 149 NE - CZ - NH2 ANGL. DEV. = -3.7 DEGREES REMARK 500 PHE A 150 CB - CG - CD2 ANGL. DEV. = -4.6 DEGREES REMARK 500 ARG A 151 NE - CZ - NH1 ANGL. DEV. = 5.4 DEGREES REMARK 500 ARG A 151 NE - CZ - NH2 ANGL. DEV. = -5.4 DEGREES REMARK 500 ASP A 155 CB - CG - OD1 ANGL. DEV. = 6.3 DEGREES REMARK 500 ASP A 156 CB - CG - OD1 ANGL. DEV. = 7.6 DEGREES REMARK 500 ASP A 156 CB - CG - OD2 ANGL. DEV. = -6.3 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 ILE A 7 65.75 72.44 REMARK 500 LYS A 12 130.55 -176.37 REMARK 500 VAL A 45 -84.67 -47.34 REMARK 500 THR A 46 -151.09 -120.53 REMARK 500 PRO A 47 46.25 -85.43 REMARK 500 THR A 49 -167.25 -79.83 REMARK 500 PHE A 50 126.24 179.40 REMARK 500 ALA A 58 100.17 -170.90 REMARK 500 ASP A 59 61.21 -63.99 REMARK 500 ILE A 60 75.17 -167.64 REMARK 500 ARG A 67 -61.81 78.23 REMARK 500 HIS A 69 -52.85 -145.33 REMARK 500 ASP A 71 -90.18 -145.55 REMARK 500 PHE A 72 -38.32 -149.07 REMARK 500 ASN A 80 -101.46 62.14 REMARK 500 HIS A 97 91.96 -164.13 REMARK 500 ASP A 101 -90.90 -80.37 REMARK 500 THR A 111 112.04 -164.77 REMARK 500 PHE A 128 -102.90 -96.08 REMARK 500 ASN A 132 -45.14 -139.90 REMARK 500 THR A 133 -65.41 104.20 REMARK 500 ALA A 135 7.80 -68.91 REMARK 500 LEU A 136 -55.56 73.59 REMARK 500 MET A 137 40.23 -71.87 REMARK 500 HIS A 142 -111.44 -90.49 REMARK 500 SER A 143 84.48 -172.79 REMARK 500 LEU A 163 -68.75 -91.24 REMARK 500 PRO A 166 159.28 -40.33 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 HIS A 84 0.08 SIDE_CHAIN REMARK 500 TYR A 86 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 THR A 23 -10.36 REMARK 500 SER A 63 14.43 REMARK 500 ASN A 93 12.15 REMARK 500 GLY A 94 18.67 REMARK 500 ASP A 100 -11.07 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 170 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 71 OD2 REMARK 620 2 HIS A 97 ND1 139.7 REMARK 620 3 HIS A 69 NE2 109.6 110.3 REMARK 620 4 HIS A 84 NE2 67.0 110.7 99.6 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 169 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 123 NE2 REMARK 620 2 HIS A 129 NE2 77.9 REMARK 620 3 HIS A 119 NE2 93.9 127.1 REMARK 620 4 ATT A 174 S2 124.6 113.2 114.1 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 171 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 101 OD2 REMARK 620 2 ASP A 76 OD1 123.9 REMARK 620 3 GLY A 79 O 147.8 69.8 REMARK 620 4 VAL A 81 O 55.8 94.8 96.9 REMARK 620 5 ASP A 99 OD2 63.5 73.6 142.7 93.4 REMARK 620 6 GLU A 102 OE2 71.7 162.2 101.6 101.9 111.1 REMARK 620 7 GLY A 77 O 106.0 78.4 105.4 152.4 59.0 89.4 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 172 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLY A 94 N REMARK 620 2 ASP A 95 N 65.3 REMARK 620 3 ASP A 59 OD1 89.5 89.1 REMARK 620 4 GLY A 91 O 116.6 145.7 57.4 REMARK 620 5 ILE A 92 O 85.2 127.2 135.6 86.1 REMARK 620 6 ASP A 95 O 87.8 52.6 138.5 153.3 85.4 REMARK 620 7 ASP A 95 OD2 144.5 93.6 60.5 64.9 129.2 102.0 REMARK 620 8 ASN A 93 O 44.6 97.1 58.1 72.6 89.3 132.4 117.3 REMARK 620 N 1 2 3 4 5 6 7 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 173 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 25 OD2 REMARK 620 2 ASP A 100 OD1 135.9 REMARK 620 3 GLU A 102 O 67.4 156.4 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 169 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 170 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 171 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 172 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 173 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ATT A 174 DBREF 3USN A 1 168 UNP P08254 MMP3_HUMAN 100 267 SEQRES 1 A 168 PHE ARG THR PHE PRO GLY ILE PRO LYS TRP ARG LYS THR SEQRES 2 A 168 HIS LEU THR TYR ARG ILE VAL ASN TYR THR PRO ASP LEU SEQRES 3 A 168 PRO LYS ASP ALA VAL ASP SER ALA VAL GLU LYS ALA LEU SEQRES 4 A 168 LYS VAL TRP GLU GLU VAL THR PRO LEU THR PHE SER ARG SEQRES 5 A 168 LEU TYR GLU GLY GLU ALA ASP ILE MET ILE SER PHE ALA SEQRES 6 A 168 VAL ARG GLU HIS GLY ASP PHE TYR PRO PHE ASP GLY PRO SEQRES 7 A 168 GLY ASN VAL LEU ALA HIS ALA TYR ALA PRO GLY PRO GLY SEQRES 8 A 168 ILE ASN GLY ASP ALA HIS PHE ASP ASP ASP GLU GLN TRP SEQRES 9 A 168 THR LYS ASP THR THR GLY THR ASN LEU PHE LEU VAL ALA SEQRES 10 A 168 ALA HIS GLU ILE GLY HIS SER LEU GLY LEU PHE HIS SER SEQRES 11 A 168 ALA ASN THR GLU ALA LEU MET TYR PRO LEU TYR HIS SER SEQRES 12 A 168 LEU THR ASP LEU THR ARG PHE ARG LEU SER GLN ASP ASP SEQRES 13 A 168 ILE ASN GLY ILE GLN SER LEU TYR GLY PRO PRO PRO HET ZN A 169 1 HET ZN A 170 1 HET CA A 171 1 HET CA A 172 1 HET CA A 173 1 HET ATT A 174 36 HETNAM ZN ZINC ION HETNAM CA CALCIUM ION HETNAM ATT 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YL)-UREIDO]-N- HETNAM 2 ATT METHYL-3-PHENYL-PROPIONAMIDE FORMUL 2 ZN 2(ZN 2+) FORMUL 4 CA 3(CA 2+) FORMUL 7 ATT C13 H15 N5 O2 S2 FORMUL 8 HOH *2(H2 O) HELIX 1 1 LYS A 28 VAL A 45 1 18 HELIX 2 2 LEU A 113 LEU A 125 1 13 HELIX 3 3 GLN A 154 LEU A 163 1 10 SHEET 1 A 3 ILE A 62 ALA A 65 0 SHEET 2 A 3 ASP A 95 ASP A 99 1 N ALA A 96 O SER A 63 SHEET 3 A 3 HIS A 84 TYR A 86 -1 N TYR A 86 O ASP A 95 LINK ZN ZN A 170 OD2 ASP A 71 1555 1555 2.34 LINK ZN ZN A 169 NE2 HIS A 123 1555 1555 2.61 LINK ZN ZN A 169 NE2 HIS A 129 1555 1555 2.61 LINK ZN ZN A 169 NE2 HIS A 119 1555 1555 2.59 LINK ZN ZN A 169 S2 ATT A 174 1555 1555 2.67 LINK ZN ZN A 170 ND1 HIS A 97 1555 1555 2.61 LINK ZN ZN A 170 NE2 HIS A 69 1555 1555 2.61 LINK ZN ZN A 170 NE2 HIS A 84 1555 1555 2.62 LINK CA CA A 171 OD2 ASP A 101 1555 1555 2.75 LINK CA CA A 171 OD1 ASP A 76 1555 1555 2.68 LINK CA CA A 171 O GLY A 79 1555 1555 2.71 LINK CA CA A 171 O VAL A 81 1555 1555 2.69 LINK CA CA A 171 OD2 ASP A 99 1555 1555 2.62 LINK CA CA A 171 OE2 GLU A 102 1555 1555 2.69 LINK CA CA A 171 O GLY A 77 1555 1555 2.67 LINK CA CA A 172 N GLY A 94 1555 1555 2.66 LINK CA CA A 172 N ASP A 95 1555 1555 2.59 LINK CA CA A 172 OD1 ASP A 59 1555 1555 2.97 LINK CA CA A 172 O GLY A 91 1555 1555 2.70 LINK CA CA A 172 O ILE A 92 1555 1555 2.57 LINK CA CA A 172 O ASP A 95 1555 1555 3.35 LINK CA CA A 172 OD2 ASP A 95 1555 1555 3.04 LINK CA CA A 172 O ASN A 93 1555 1555 3.03 LINK CA CA A 173 OD2 ASP A 25 1555 1555 2.66 LINK CA CA A 173 OD1 ASP A 100 1555 1555 2.66 LINK CA CA A 173 O GLU A 102 1555 1555 2.64 SITE *** AC1 4 HIS A 119 HIS A 123 HIS A 129 ATT A 174 SITE *** AC2 5 HIS A 69 ASP A 71 HIS A 84 TYR A 86 SITE *** AC2 5 HIS A 97 SITE *** AC3 7 ASP A 76 GLY A 77 GLY A 79 VAL A 81 SITE *** AC3 7 ASP A 99 ASP A 101 GLU A 102 SITE *** AC4 6 ASP A 59 GLY A 91 ILE A 92 ASN A 93 SITE *** AC4 6 GLY A 94 ASP A 95 SITE *** AC5 3 ASP A 25 ASP A 100 GLU A 102 SITE *** AC6 6 PHE A 4 ALA A 83 ALA A 85 GLU A 120 SITE *** AC6 6 HIS A 123 ZN A 169 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 95 ASP H : A 95 ASP N : A 172 CACA :(H bumps) USER MOD Set 1.1: A 154 GLN : amide:sc= 0.511 K(o=1,f=-0.026) USER MOD Set 1.2: A 158 ASN : amide:sc= 0.491 K(o=1,f=-0.24) USER MOD Set 2.1: A 123 HIS : no HE2:sc= 0.06 K(o=0.06,f=-0.68) USER MOD Set 2.2: A 137 MET CE :methyl -154:sc= 0 (180deg=-0.128) USER MOD Set 3.1: A 69 HIS : no HD1:sc= -0.033 K(o=-1.4,f=-2) USER MOD Set 3.2: A 84 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-3.8) USER MOD Set 4.1: A 63 SER OG : rot -67:sc= 0.827 USER MOD Set 4.2: A 97 HIS :FLIP no HD1:sc= -0.208 F(o=0.034,f=0.62) USER MOD Set 5.1: A 1 PHE N :NH3+ -178:sc= 0.827 (180deg=0.826) USER MOD Set 5.2: A 130 SER OG : rot 138:sc= 0.0048 USER MOD Single : A 3 THR OG1 : rot -170:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= 0.153 (180deg=0.095) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.42) USER MOD Single : A 16 THR OG1 : rot 40:sc= 0.00793 USER MOD Single : A 17 TYR OH : rot 0:sc= -0.126 USER MOD Single : A 21 ASN : amide:sc= -0.0459 K(o=-0.046,f=-3.5!) USER MOD Single : A 22 TYR OH : rot -38:sc= 0.884 USER MOD Single : A 23 THR OG1 : rot 150:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 55:sc= 1.31 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00514 USER MOD Single : A 51 SER OG : rot 160:sc= -0.849 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.399 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 1.25 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.071) USER MOD Single : A 105 THR OG1 : rot 112:sc= 2.09 USER MOD Single : A 106 LYS NZ :NH3+ 143:sc= 0.571 (180deg=0.0766) USER MOD Single : A 108 THR OG1 : rot 173:sc= 1.29 USER MOD Single : A 109 THR OG1 : rot -99:sc= 1.09 USER MOD Single : A 111 THR OG1 : rot -25:sc= 0.971 USER MOD Single : A 112 ASN : amide:sc= 0.176 K(o=0.18,f=-7.4!) USER MOD Single : A 119 HIS : no HD1:sc= -0.288 K(o=-0.29,f=-2.4!) USER MOD Single : A 124 SER OG : rot -44:sc= 1.23 USER MOD Single : A 129 HIS : no HE2:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 132 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 133 THR OG1 : rot -37:sc= 0.915 USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 TYR OH : rot 130:sc= 0.376 USER MOD Single : A 142 HIS : no HE2:sc= -0.145 K(o=-0.15,f=-1.4!) USER MOD Single : A 143 SER OG : rot 7:sc= 1.2 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 140:sc= -0.0725 USER MOD Single : A 161 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 162 SER OG : rot 1:sc= 1.14 USER MOD Single : A 164 TYR OH : rot 161:sc= 0.855 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -4.137 -14.163 9.458 1.00 0.00 N ATOM 2 CA PHE A 1 -4.786 -13.066 8.730 1.00 0.00 C ATOM 3 C PHE A 1 -6.138 -12.615 9.377 1.00 0.00 C ATOM 4 O PHE A 1 -6.855 -13.400 10.006 1.00 0.00 O ATOM 5 CB PHE A 1 -4.847 -13.479 7.212 1.00 0.00 C ATOM 6 CG PHE A 1 -6.005 -14.372 6.747 1.00 0.00 C ATOM 7 CD1 PHE A 1 -5.934 -15.757 6.884 1.00 0.00 C ATOM 8 CD2 PHE A 1 -7.206 -13.793 6.270 1.00 0.00 C ATOM 9 CE1 PHE A 1 -7.004 -16.552 6.511 1.00 0.00 C ATOM 10 CE2 PHE A 1 -8.325 -14.569 6.006 1.00 0.00 C ATOM 11 CZ PHE A 1 -8.204 -15.972 6.097 1.00 0.00 C ATOM 0 H1 PHE A 1 -3.231 -14.394 9.002 1.00 0.00 H new ATOM 0 H2 PHE A 1 -3.965 -13.873 10.442 1.00 0.00 H new ATOM 0 H3 PHE A 1 -4.754 -15.000 9.447 1.00 0.00 H new ATOM 0 HA PHE A 1 -4.201 -12.149 8.800 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -4.874 -12.565 6.619 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -3.915 -13.989 6.969 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -5.040 -16.212 7.283 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -7.252 -12.726 6.109 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -6.910 -17.627 6.541 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -9.265 -14.111 5.737 1.00 0.00 H new ATOM 0 HZ PHE A 1 -9.045 -16.601 5.845 1.00 0.00 H new ATOM 22 N ARG A 2 -6.496 -11.313 9.194 1.00 0.00 N ATOM 23 CA ARG A 2 -7.792 -10.731 9.678 1.00 0.00 C ATOM 24 C ARG A 2 -8.392 -9.755 8.647 1.00 0.00 C ATOM 25 O ARG A 2 -7.633 -9.118 7.866 1.00 0.00 O ATOM 26 CB ARG A 2 -7.631 -10.061 11.062 1.00 0.00 C ATOM 27 CG ARG A 2 -7.325 -11.059 12.192 1.00 0.00 C ATOM 28 CD ARG A 2 -7.176 -10.444 13.619 1.00 0.00 C ATOM 29 NE ARG A 2 -8.500 -10.092 14.246 1.00 0.00 N ATOM 30 CZ ARG A 2 -9.197 -10.911 15.022 1.00 0.00 C ATOM 31 NH1 ARG A 2 -8.823 -12.082 15.419 1.00 0.00 N ATOM 32 NH2 ARG A 2 -10.388 -10.558 15.354 1.00 0.00 N ATOM 0 H ARG A 2 -5.903 -10.638 8.711 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.495 -11.556 9.795 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.829 -9.325 11.010 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -8.545 -9.519 11.304 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.121 -11.804 12.219 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.403 -11.586 11.946 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.652 -11.152 14.261 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.558 -9.548 13.561 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.885 -9.165 14.062 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.916 -12.451 15.134 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.435 -12.637 16.017 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.769 -9.672 15.022 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.952 -11.164 15.950 1.00 0.00 H new ATOM 45 N THR A 3 -9.700 -9.645 8.554 1.00 0.00 N ATOM 46 CA THR A 3 -10.337 -8.687 7.597 1.00 0.00 C ATOM 47 C THR A 3 -11.172 -7.665 8.396 1.00 0.00 C ATOM 48 O THR A 3 -11.694 -7.966 9.459 1.00 0.00 O ATOM 49 CB THR A 3 -11.180 -9.431 6.521 1.00 0.00 C ATOM 50 OG1 THR A 3 -12.042 -10.390 7.149 1.00 0.00 O ATOM 51 CG2 THR A 3 -10.374 -10.202 5.492 1.00 0.00 C ATOM 0 H THR A 3 -10.360 -10.188 9.111 1.00 0.00 H new ATOM 0 HA THR A 3 -9.563 -8.150 7.048 1.00 0.00 H new ATOM 0 HB THR A 3 -11.718 -8.635 6.007 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.450 -10.960 6.465 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.051 -10.685 4.787 1.00 0.00 H new ATOM 0 HG22 THR A 3 -9.719 -9.516 4.955 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.772 -10.960 5.994 1.00 0.00 H new ATOM 59 N PHE A 4 -11.369 -6.480 7.798 1.00 0.00 N ATOM 60 CA PHE A 4 -12.119 -5.328 8.365 1.00 0.00 C ATOM 61 C PHE A 4 -13.631 -5.760 8.699 1.00 0.00 C ATOM 62 O PHE A 4 -14.134 -6.671 8.020 1.00 0.00 O ATOM 63 CB PHE A 4 -12.086 -4.132 7.386 1.00 0.00 C ATOM 64 CG PHE A 4 -10.752 -3.543 6.929 1.00 0.00 C ATOM 65 CD1 PHE A 4 -10.054 -2.626 7.723 1.00 0.00 C ATOM 66 CD2 PHE A 4 -10.199 -3.945 5.704 1.00 0.00 C ATOM 67 CE1 PHE A 4 -8.806 -2.174 7.340 1.00 0.00 C ATOM 68 CE2 PHE A 4 -8.958 -3.475 5.285 1.00 0.00 C ATOM 69 CZ PHE A 4 -8.253 -2.607 6.147 1.00 0.00 C ATOM 0 H PHE A 4 -10.999 -6.281 6.869 1.00 0.00 H new ATOM 0 HA PHE A 4 -11.641 -5.017 9.294 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -12.629 -4.434 6.490 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -12.655 -3.324 7.846 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -10.494 -2.269 8.642 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.746 -4.631 5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.263 -1.485 7.970 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -8.547 -3.765 4.330 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.263 -2.274 5.870 1.00 0.00 H new ATOM 79 N PRO A 5 -14.386 -5.150 9.661 1.00 0.00 N ATOM 80 CA PRO A 5 -15.789 -5.550 9.924 1.00 0.00 C ATOM 81 C PRO A 5 -16.724 -5.636 8.708 1.00 0.00 C ATOM 82 O PRO A 5 -16.852 -4.647 8.012 1.00 0.00 O ATOM 83 CB PRO A 5 -16.213 -4.524 10.981 1.00 0.00 C ATOM 84 CG PRO A 5 -15.246 -3.354 10.905 1.00 0.00 C ATOM 85 CD PRO A 5 -13.941 -4.057 10.507 1.00 0.00 C ATOM 0 HA PRO A 5 -15.861 -6.587 10.252 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -17.234 -4.188 10.800 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.196 -4.970 11.975 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -15.555 -2.615 10.166 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -15.157 -2.834 11.859 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -13.270 -3.384 9.973 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -13.399 -4.421 11.380 1.00 0.00 H new ATOM 93 N GLY A 6 -17.324 -6.777 8.476 1.00 0.00 N ATOM 94 CA GLY A 6 -18.205 -7.000 7.293 1.00 0.00 C ATOM 95 C GLY A 6 -17.584 -7.622 6.013 1.00 0.00 C ATOM 96 O GLY A 6 -18.337 -8.095 5.164 1.00 0.00 O ATOM 0 H GLY A 6 -17.234 -7.592 9.083 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -19.027 -7.643 7.608 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -18.639 -6.039 7.017 1.00 0.00 H new ATOM 100 N ILE A 7 -16.261 -7.680 5.915 1.00 0.00 N ATOM 101 CA ILE A 7 -15.489 -8.272 4.788 1.00 0.00 C ATOM 102 C ILE A 7 -15.546 -7.383 3.485 1.00 0.00 C ATOM 103 O ILE A 7 -16.105 -7.807 2.463 1.00 0.00 O ATOM 104 CB ILE A 7 -15.714 -9.835 4.595 1.00 0.00 C ATOM 105 CG1 ILE A 7 -15.688 -10.633 5.949 1.00 0.00 C ATOM 106 CG2 ILE A 7 -14.727 -10.416 3.552 1.00 0.00 C ATOM 107 CD1 ILE A 7 -16.135 -12.094 5.792 1.00 0.00 C ATOM 0 H ILE A 7 -15.654 -7.303 6.643 1.00 0.00 H new ATOM 0 HA ILE A 7 -14.438 -8.239 5.075 1.00 0.00 H new ATOM 0 HB ILE A 7 -16.723 -9.962 4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -14.678 -10.610 6.359 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -16.337 -10.136 6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -14.904 -11.486 3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -14.878 -9.921 2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -13.703 -10.250 3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -16.096 -12.593 6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -17.155 -12.123 5.410 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -15.471 -12.604 5.094 1.00 0.00 H new ATOM 119 N PRO A 8 -14.961 -6.119 3.469 1.00 0.00 N ATOM 120 CA PRO A 8 -15.004 -5.198 2.296 1.00 0.00 C ATOM 121 C PRO A 8 -13.898 -5.584 1.242 1.00 0.00 C ATOM 122 O PRO A 8 -12.703 -5.539 1.532 1.00 0.00 O ATOM 123 CB PRO A 8 -14.874 -3.811 2.953 1.00 0.00 C ATOM 124 CG PRO A 8 -13.938 -4.051 4.101 1.00 0.00 C ATOM 125 CD PRO A 8 -14.237 -5.456 4.595 1.00 0.00 C ATOM 0 HA PRO A 8 -15.910 -5.241 1.691 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -14.474 -3.074 2.257 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -15.839 -3.437 3.294 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.899 -3.961 3.783 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.094 -3.317 4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.320 -5.990 4.843 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.847 -5.435 5.498 1.00 0.00 H new ATOM 133 N LYS A 9 -14.363 -6.055 0.052 1.00 0.00 N ATOM 134 CA LYS A 9 -13.500 -6.420 -1.090 1.00 0.00 C ATOM 135 C LYS A 9 -14.001 -5.772 -2.394 1.00 0.00 C ATOM 136 O LYS A 9 -15.200 -5.407 -2.524 1.00 0.00 O ATOM 137 CB LYS A 9 -13.309 -7.973 -1.134 1.00 0.00 C ATOM 138 CG LYS A 9 -14.525 -8.761 -1.600 1.00 0.00 C ATOM 139 CD LYS A 9 -14.319 -10.296 -1.588 1.00 0.00 C ATOM 140 CE LYS A 9 -15.578 -10.983 -2.157 1.00 0.00 C ATOM 141 NZ LYS A 9 -15.418 -12.414 -1.971 1.00 0.00 N ATOM 0 H LYS A 9 -15.356 -6.190 -0.136 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.499 -6.008 -0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.472 -8.202 -1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.032 -8.318 -0.138 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.373 -8.513 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.784 -8.447 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.445 -10.562 -2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.130 -10.641 -0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.473 -10.628 -1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.700 -10.745 -3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -16.100 -12.920 -2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.451 -12.692 -2.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -15.588 -12.656 -0.974 1.00 0.00 H new ATOM 154 N TRP A 10 -13.125 -5.666 -3.393 1.00 0.00 N ATOM 155 CA TRP A 10 -13.494 -5.015 -4.712 1.00 0.00 C ATOM 156 C TRP A 10 -14.153 -5.977 -5.771 1.00 0.00 C ATOM 157 O TRP A 10 -13.501 -6.871 -6.350 1.00 0.00 O ATOM 158 CB TRP A 10 -12.186 -4.404 -5.295 1.00 0.00 C ATOM 159 CG TRP A 10 -11.569 -3.202 -4.605 1.00 0.00 C ATOM 160 CD1 TRP A 10 -10.286 -3.165 -3.996 1.00 0.00 C ATOM 161 CD2 TRP A 10 -12.060 -1.848 -4.552 1.00 0.00 C ATOM 162 NE1 TRP A 10 -9.957 -1.913 -3.480 1.00 0.00 N ATOM 163 CE2 TRP A 10 -11.032 -1.086 -3.905 1.00 0.00 C ATOM 164 CE3 TRP A 10 -13.283 -1.217 -4.911 1.00 0.00 C ATOM 165 CZ2 TRP A 10 -11.221 0.297 -3.657 1.00 0.00 C ATOM 166 CZ3 TRP A 10 -13.490 0.136 -4.623 1.00 0.00 C ATOM 167 CH2 TRP A 10 -12.465 0.877 -4.003 1.00 0.00 C ATOM 0 H TRP A 10 -12.165 -6.006 -3.346 1.00 0.00 H new ATOM 0 HA TRP A 10 -14.261 -4.268 -4.508 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -11.435 -5.193 -5.317 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -12.385 -4.124 -6.330 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.631 -4.022 -3.939 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -9.139 -1.652 -2.929 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -14.055 -1.785 -5.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.436 0.893 -3.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -14.428 0.609 -4.874 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -12.634 1.921 -3.785 1.00 0.00 H new ATOM 178 N ARG A 11 -15.465 -5.709 -6.043 1.00 0.00 N ATOM 179 CA ARG A 11 -16.271 -6.503 -7.026 1.00 0.00 C ATOM 180 C ARG A 11 -15.985 -6.070 -8.519 1.00 0.00 C ATOM 181 O ARG A 11 -16.905 -5.652 -9.207 1.00 0.00 O ATOM 182 CB ARG A 11 -17.757 -6.499 -6.619 1.00 0.00 C ATOM 183 CG ARG A 11 -18.124 -7.239 -5.299 1.00 0.00 C ATOM 184 CD ARG A 11 -19.608 -6.987 -4.896 1.00 0.00 C ATOM 185 NE ARG A 11 -19.802 -5.593 -4.373 1.00 0.00 N ATOM 186 CZ ARG A 11 -21.010 -5.170 -3.930 1.00 0.00 C ATOM 187 NH1 ARG A 11 -22.066 -5.931 -3.778 1.00 0.00 N ATOM 188 NH2 ARG A 11 -21.120 -3.920 -3.660 1.00 0.00 N ATOM 0 H ARG A 11 -15.986 -4.953 -5.598 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.953 -7.545 -6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -18.082 -5.462 -6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -18.333 -6.945 -7.430 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -17.956 -8.309 -5.422 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -17.466 -6.903 -4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.254 -7.147 -5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -19.908 -7.708 -4.136 1.00 0.00 H new ATOM 0 HE ARG A 11 -19.009 -4.952 -4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -22.014 -6.925 -4.000 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -22.940 -5.529 -3.438 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -20.320 -3.299 -3.783 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -22.008 -3.547 -3.323 1.00 0.00 H new ATOM 201 N LYS A 12 -14.761 -6.331 -9.021 1.00 0.00 N ATOM 202 CA LYS A 12 -14.291 -6.021 -10.391 1.00 0.00 C ATOM 203 C LYS A 12 -12.803 -6.610 -10.533 1.00 0.00 C ATOM 204 O LYS A 12 -11.924 -6.312 -9.707 1.00 0.00 O ATOM 205 CB LYS A 12 -14.309 -4.464 -10.667 1.00 0.00 C ATOM 206 CG LYS A 12 -13.684 -3.526 -9.638 1.00 0.00 C ATOM 207 CD LYS A 12 -13.645 -2.070 -10.072 1.00 0.00 C ATOM 208 CE LYS A 12 -13.419 -1.175 -8.851 1.00 0.00 C ATOM 209 NZ LYS A 12 -13.339 0.258 -9.227 1.00 0.00 N ATOM 0 H LYS A 12 -14.040 -6.784 -8.460 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.955 -6.475 -11.127 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.806 -4.292 -11.618 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -15.349 -4.164 -10.798 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.243 -3.602 -8.706 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.668 -3.859 -9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.847 -1.918 -10.799 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.580 -1.802 -10.564 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.231 -1.319 -8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.498 -1.471 -8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.186 0.833 -8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.548 0.400 -9.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.227 0.547 -9.684 1.00 0.00 H new ATOM 222 N THR A 13 -12.474 -7.385 -11.611 1.00 0.00 N ATOM 223 CA THR A 13 -11.131 -8.011 -11.876 1.00 0.00 C ATOM 224 C THR A 13 -10.079 -7.052 -12.408 1.00 0.00 C ATOM 225 O THR A 13 -9.018 -6.957 -11.856 1.00 0.00 O ATOM 226 CB THR A 13 -11.321 -9.198 -12.830 1.00 0.00 C ATOM 227 OG1 THR A 13 -12.108 -8.946 -14.016 1.00 0.00 O ATOM 228 CG2 THR A 13 -11.841 -10.461 -12.160 1.00 0.00 C ATOM 0 H THR A 13 -13.152 -7.600 -12.342 1.00 0.00 H new ATOM 0 HA THR A 13 -10.740 -8.342 -10.914 1.00 0.00 H new ATOM 0 HB THR A 13 -10.293 -9.357 -13.156 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.164 -9.765 -14.552 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.947 -11.250 -12.904 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.139 -10.780 -11.390 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.811 -10.259 -11.705 1.00 0.00 H new ATOM 236 N HIS A 14 -10.282 -6.306 -13.498 1.00 0.00 N ATOM 237 CA HIS A 14 -9.324 -5.376 -14.073 1.00 0.00 C ATOM 238 C HIS A 14 -9.221 -4.005 -13.303 1.00 0.00 C ATOM 239 O HIS A 14 -10.236 -3.288 -13.446 1.00 0.00 O ATOM 240 CB HIS A 14 -9.606 -5.259 -15.651 1.00 0.00 C ATOM 241 CG HIS A 14 -8.692 -4.352 -16.472 1.00 0.00 C ATOM 242 ND1 HIS A 14 -8.728 -2.973 -16.366 1.00 0.00 N ATOM 243 CD2 HIS A 14 -7.820 -4.754 -17.548 1.00 0.00 C ATOM 244 CE1 HIS A 14 -7.900 -2.654 -17.392 1.00 0.00 C ATOM 245 NE2 HIS A 14 -7.281 -3.653 -18.124 1.00 0.00 N ATOM 0 H HIS A 14 -11.157 -6.340 -14.021 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.317 -5.773 -13.945 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.553 -6.261 -16.076 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.630 -4.911 -15.783 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.627 -5.773 -17.848 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.723 -1.618 -17.639 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.606 -3.580 -18.886 1.00 0.00 H new ATOM 253 N LEU A 15 -8.105 -3.520 -12.651 1.00 0.00 N ATOM 254 CA LEU A 15 -8.178 -2.239 -11.940 1.00 0.00 C ATOM 255 C LEU A 15 -7.858 -0.930 -12.688 1.00 0.00 C ATOM 256 O LEU A 15 -7.539 -0.909 -13.911 1.00 0.00 O ATOM 257 CB LEU A 15 -7.686 -2.430 -10.440 1.00 0.00 C ATOM 258 CG LEU A 15 -8.586 -3.376 -9.618 1.00 0.00 C ATOM 259 CD1 LEU A 15 -7.819 -3.774 -8.356 1.00 0.00 C ATOM 260 CD2 LEU A 15 -9.878 -2.763 -9.074 1.00 0.00 C ATOM 0 H LEU A 15 -7.199 -3.988 -12.616 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.233 -1.971 -11.890 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.669 -2.822 -10.446 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.650 -1.457 -9.950 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.842 -4.179 -10.309 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.432 -4.444 -7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.895 -4.280 -8.636 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.582 -2.881 -7.777 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.431 -3.517 -8.513 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.636 -1.928 -8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.489 -2.407 -9.903 1.00 0.00 H new ATOM 272 N THR A 16 -8.023 0.161 -11.935 1.00 0.00 N ATOM 273 CA THR A 16 -7.798 1.562 -12.464 1.00 0.00 C ATOM 274 C THR A 16 -7.181 2.359 -11.239 1.00 0.00 C ATOM 275 O THR A 16 -7.885 2.573 -10.227 1.00 0.00 O ATOM 276 CB THR A 16 -9.091 2.216 -13.042 1.00 0.00 C ATOM 277 OG1 THR A 16 -10.257 2.036 -12.151 1.00 0.00 O ATOM 278 CG2 THR A 16 -9.614 1.648 -14.362 1.00 0.00 C ATOM 0 H THR A 16 -8.310 0.130 -10.957 1.00 0.00 H new ATOM 0 HA THR A 16 -7.126 1.566 -13.322 1.00 0.00 H new ATOM 0 HB THR A 16 -8.751 3.244 -13.166 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.976 2.146 -11.219 1.00 0.00 H new ATOM 0 HG21 THR A 16 -10.515 2.186 -14.658 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.853 1.762 -15.134 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.847 0.591 -14.236 1.00 0.00 H new ATOM 286 N TYR A 17 -5.919 2.694 -11.257 1.00 0.00 N ATOM 287 CA TYR A 17 -5.258 3.481 -10.141 1.00 0.00 C ATOM 288 C TYR A 17 -4.746 4.903 -10.579 1.00 0.00 C ATOM 289 O TYR A 17 -4.351 5.089 -11.736 1.00 0.00 O ATOM 290 CB TYR A 17 -4.019 2.821 -9.468 1.00 0.00 C ATOM 291 CG TYR A 17 -2.765 2.684 -10.299 1.00 0.00 C ATOM 292 CD1 TYR A 17 -2.713 1.923 -11.474 1.00 0.00 C ATOM 293 CD2 TYR A 17 -1.651 3.463 -9.975 1.00 0.00 C ATOM 294 CE1 TYR A 17 -1.511 1.799 -12.171 1.00 0.00 C ATOM 295 CE2 TYR A 17 -0.487 3.408 -10.766 1.00 0.00 C ATOM 296 CZ TYR A 17 -0.413 2.515 -11.813 1.00 0.00 C ATOM 297 OH TYR A 17 0.708 2.293 -12.514 1.00 0.00 O ATOM 0 H TYR A 17 -5.287 2.452 -12.020 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.088 3.528 -9.436 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -3.771 3.400 -8.578 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.309 1.826 -9.131 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.603 1.433 -11.840 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.683 4.112 -9.112 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.452 1.122 -13.010 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.345 4.063 -10.553 1.00 0.00 H new ATOM 0 HH TYR A 17 0.536 1.616 -13.201 1.00 0.00 H new ATOM 307 N ARG A 18 -4.717 5.849 -9.644 1.00 0.00 N ATOM 308 CA ARG A 18 -4.230 7.232 -9.870 1.00 0.00 C ATOM 309 C ARG A 18 -3.129 7.519 -8.839 1.00 0.00 C ATOM 310 O ARG A 18 -3.298 7.215 -7.653 1.00 0.00 O ATOM 311 CB ARG A 18 -5.373 8.203 -9.846 1.00 0.00 C ATOM 312 CG ARG A 18 -4.921 9.697 -10.028 1.00 0.00 C ATOM 313 CD ARG A 18 -6.044 10.729 -10.032 1.00 0.00 C ATOM 314 NE ARG A 18 -5.336 12.063 -10.016 1.00 0.00 N ATOM 315 CZ ARG A 18 -5.966 13.251 -9.901 1.00 0.00 C ATOM 316 NH1 ARG A 18 -7.249 13.377 -9.821 1.00 0.00 N ATOM 317 NH2 ARG A 18 -5.215 14.294 -9.862 1.00 0.00 N ATOM 0 H ARG A 18 -5.034 5.686 -8.688 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.790 7.348 -10.860 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.077 7.945 -10.637 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.905 8.104 -8.900 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.225 9.947 -9.228 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.372 9.780 -10.966 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.674 10.625 -10.915 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.692 10.613 -9.163 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.319 12.066 -10.097 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.845 12.550 -9.843 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.666 14.304 -9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.201 14.195 -9.917 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.633 15.220 -9.776 1.00 0.00 H new ATOM 330 N ILE A 19 -1.979 8.074 -9.279 1.00 0.00 N ATOM 331 CA ILE A 19 -0.883 8.531 -8.352 1.00 0.00 C ATOM 332 C ILE A 19 -1.194 10.028 -7.979 1.00 0.00 C ATOM 333 O ILE A 19 -1.288 10.855 -8.907 1.00 0.00 O ATOM 334 CB ILE A 19 0.490 8.298 -8.942 1.00 0.00 C ATOM 335 CG1 ILE A 19 0.699 6.798 -9.318 1.00 0.00 C ATOM 336 CG2 ILE A 19 1.590 8.706 -7.960 1.00 0.00 C ATOM 337 CD1 ILE A 19 1.956 6.349 -10.033 1.00 0.00 C ATOM 0 H ILE A 19 -1.771 8.223 -10.266 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.862 7.942 -7.435 1.00 0.00 H new ATOM 0 HB ILE A 19 0.552 8.912 -9.840 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.633 6.223 -8.394 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.147 6.502 -9.939 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.566 8.527 -8.412 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.490 9.765 -7.720 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.499 8.117 -7.047 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.912 5.274 -10.205 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.035 6.866 -10.989 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.827 6.583 -9.420 1.00 0.00 H new ATOM 349 N VAL A 20 -1.285 10.377 -6.653 1.00 0.00 N ATOM 350 CA VAL A 20 -1.621 11.841 -6.290 1.00 0.00 C ATOM 351 C VAL A 20 -0.357 12.731 -6.386 1.00 0.00 C ATOM 352 O VAL A 20 -0.300 13.635 -7.192 1.00 0.00 O ATOM 353 CB VAL A 20 -2.502 11.947 -4.983 1.00 0.00 C ATOM 354 CG1 VAL A 20 -2.856 13.374 -4.447 1.00 0.00 C ATOM 355 CG2 VAL A 20 -3.859 11.275 -5.245 1.00 0.00 C ATOM 0 H VAL A 20 -1.148 9.745 -5.864 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.290 12.271 -7.036 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.868 11.479 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.464 13.284 -3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.938 13.913 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.413 13.921 -5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.477 11.342 -4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.361 11.779 -6.071 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.703 10.227 -5.501 1.00 0.00 H new ATOM 365 N ASN A 21 0.665 12.544 -5.543 1.00 0.00 N ATOM 366 CA ASN A 21 1.898 13.361 -5.559 1.00 0.00 C ATOM 367 C ASN A 21 3.141 12.512 -5.135 1.00 0.00 C ATOM 368 O ASN A 21 3.031 11.500 -4.469 1.00 0.00 O ATOM 369 CB ASN A 21 1.714 14.751 -4.816 1.00 0.00 C ATOM 370 CG ASN A 21 1.386 14.677 -3.338 1.00 0.00 C ATOM 371 OD1 ASN A 21 0.318 14.269 -2.901 1.00 0.00 O ATOM 372 ND2 ASN A 21 2.296 15.061 -2.457 1.00 0.00 N ATOM 0 H ASN A 21 0.666 11.820 -4.825 1.00 0.00 H new ATOM 0 HA ASN A 21 2.110 13.661 -6.585 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.631 15.328 -4.936 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.920 15.306 -5.317 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.093 15.010 -1.459 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.200 15.408 -2.776 1.00 0.00 H new ATOM 379 N TYR A 22 4.321 13.032 -5.439 1.00 0.00 N ATOM 380 CA TYR A 22 5.628 12.398 -5.135 1.00 0.00 C ATOM 381 C TYR A 22 6.204 13.024 -3.867 1.00 0.00 C ATOM 382 O TYR A 22 6.167 14.218 -3.694 1.00 0.00 O ATOM 383 CB TYR A 22 6.610 12.618 -6.368 1.00 0.00 C ATOM 384 CG TYR A 22 6.252 11.815 -7.642 1.00 0.00 C ATOM 385 CD1 TYR A 22 6.535 10.468 -7.649 1.00 0.00 C ATOM 386 CD2 TYR A 22 5.639 12.411 -8.722 1.00 0.00 C ATOM 387 CE1 TYR A 22 6.206 9.687 -8.751 1.00 0.00 C ATOM 388 CE2 TYR A 22 5.306 11.654 -9.822 1.00 0.00 C ATOM 389 CZ TYR A 22 5.593 10.297 -9.863 1.00 0.00 C ATOM 390 OH TYR A 22 5.308 9.571 -10.957 1.00 0.00 O ATOM 0 H TYR A 22 4.416 13.929 -5.916 1.00 0.00 H new ATOM 0 HA TYR A 22 5.503 11.328 -4.971 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.623 13.679 -6.617 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.621 12.350 -6.060 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.015 10.015 -6.794 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.420 13.469 -8.706 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.417 8.628 -8.755 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.816 12.122 -10.663 1.00 0.00 H new ATOM 0 HH TYR A 22 6.029 8.927 -11.119 1.00 0.00 H new ATOM 400 N THR A 23 6.786 12.166 -3.016 1.00 0.00 N ATOM 401 CA THR A 23 7.440 12.693 -1.748 1.00 0.00 C ATOM 402 C THR A 23 8.835 13.332 -1.997 1.00 0.00 C ATOM 403 O THR A 23 9.679 12.576 -2.548 1.00 0.00 O ATOM 404 CB THR A 23 7.522 11.548 -0.703 1.00 0.00 C ATOM 405 OG1 THR A 23 8.017 12.088 0.514 1.00 0.00 O ATOM 406 CG2 THR A 23 8.261 10.271 -1.050 1.00 0.00 C ATOM 0 H THR A 23 6.833 11.155 -3.145 1.00 0.00 H new ATOM 0 HA THR A 23 6.816 13.500 -1.363 1.00 0.00 H new ATOM 0 HB THR A 23 6.495 11.187 -0.644 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.650 11.583 1.269 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.217 9.584 -0.205 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.796 9.807 -1.920 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.302 10.503 -1.275 1.00 0.00 H new ATOM 414 N PRO A 24 9.294 14.482 -1.360 1.00 0.00 N ATOM 415 CA PRO A 24 10.680 15.071 -1.539 1.00 0.00 C ATOM 416 C PRO A 24 11.941 14.238 -1.208 1.00 0.00 C ATOM 417 O PRO A 24 13.054 14.428 -1.757 1.00 0.00 O ATOM 418 CB PRO A 24 10.671 16.368 -0.745 1.00 0.00 C ATOM 419 CG PRO A 24 9.184 16.746 -0.817 1.00 0.00 C ATOM 420 CD PRO A 24 8.437 15.434 -0.651 1.00 0.00 C ATOM 0 HA PRO A 24 10.812 15.164 -2.617 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.011 16.226 0.281 1.00 0.00 H new ATOM 0 HB3 PRO A 24 11.312 17.129 -1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.918 17.454 -0.032 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.943 17.220 -1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.317 15.167 0.399 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.438 15.480 -1.084 1.00 0.00 H new ATOM 428 N ASP A 25 11.784 13.212 -0.352 1.00 0.00 N ATOM 429 CA ASP A 25 12.895 12.267 0.101 1.00 0.00 C ATOM 430 C ASP A 25 13.339 11.185 -0.935 1.00 0.00 C ATOM 431 O ASP A 25 14.361 10.524 -0.741 1.00 0.00 O ATOM 432 CB ASP A 25 12.349 11.587 1.397 1.00 0.00 C ATOM 433 CG ASP A 25 11.923 12.532 2.552 1.00 0.00 C ATOM 434 OD1 ASP A 25 12.613 13.423 2.991 1.00 0.00 O ATOM 435 OD2 ASP A 25 10.695 12.177 3.081 1.00 0.00 O ATOM 0 H ASP A 25 10.881 12.988 0.067 1.00 0.00 H new ATOM 0 HA ASP A 25 13.804 12.850 0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.490 10.974 1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.115 10.911 1.775 1.00 0.00 H new ATOM 441 N LEU A 26 12.548 10.994 -2.049 1.00 0.00 N ATOM 442 CA LEU A 26 12.844 10.020 -3.106 1.00 0.00 C ATOM 443 C LEU A 26 12.593 10.519 -4.562 1.00 0.00 C ATOM 444 O LEU A 26 11.669 11.364 -4.725 1.00 0.00 O ATOM 445 CB LEU A 26 12.025 8.621 -2.908 1.00 0.00 C ATOM 446 CG LEU A 26 12.601 7.561 -1.971 1.00 0.00 C ATOM 447 CD1 LEU A 26 11.551 6.425 -1.818 1.00 0.00 C ATOM 448 CD2 LEU A 26 13.940 6.985 -2.381 1.00 0.00 C ATOM 0 H LEU A 26 11.692 11.524 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 26 13.916 9.862 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.026 8.870 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.907 8.165 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 26 12.804 8.063 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.942 5.656 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.631 6.834 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.343 5.988 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.257 6.243 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.849 6.513 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.680 7.784 -2.432 1.00 0.00 H new ATOM 460 N PRO A 27 13.330 10.071 -5.630 1.00 0.00 N ATOM 461 CA PRO A 27 13.027 10.495 -7.008 1.00 0.00 C ATOM 462 C PRO A 27 11.792 9.772 -7.556 1.00 0.00 C ATOM 463 O PRO A 27 11.368 8.692 -7.109 1.00 0.00 O ATOM 464 CB PRO A 27 14.313 10.046 -7.674 1.00 0.00 C ATOM 465 CG PRO A 27 14.860 8.833 -6.896 1.00 0.00 C ATOM 466 CD PRO A 27 14.428 9.082 -5.510 1.00 0.00 C ATOM 0 HA PRO A 27 12.780 11.548 -7.146 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.129 9.779 -8.715 1.00 0.00 H new ATOM 0 HB3 PRO A 27 15.042 10.856 -7.677 1.00 0.00 H new ATOM 0 HG2 PRO A 27 14.455 7.896 -7.279 1.00 0.00 H new ATOM 0 HG3 PRO A 27 15.945 8.766 -6.971 1.00 0.00 H new ATOM 0 HD2 PRO A 27 14.084 8.165 -5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.246 9.470 -4.904 1.00 0.00 H new ATOM 474 N LYS A 28 11.231 10.252 -8.660 1.00 0.00 N ATOM 475 CA LYS A 28 10.000 9.692 -9.311 1.00 0.00 C ATOM 476 C LYS A 28 9.998 8.177 -9.723 1.00 0.00 C ATOM 477 O LYS A 28 9.010 7.497 -9.440 1.00 0.00 O ATOM 478 CB LYS A 28 9.571 10.535 -10.492 1.00 0.00 C ATOM 479 CG LYS A 28 9.172 11.985 -10.174 1.00 0.00 C ATOM 480 CD LYS A 28 8.465 12.771 -11.300 1.00 0.00 C ATOM 481 CE LYS A 28 8.166 14.223 -10.991 1.00 0.00 C ATOM 482 NZ LYS A 28 7.519 14.957 -12.101 1.00 0.00 N ATOM 0 H LYS A 28 11.609 11.059 -9.156 1.00 0.00 H new ATOM 0 HA LYS A 28 9.281 9.739 -8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.386 10.554 -11.215 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.727 10.044 -10.976 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.517 11.975 -9.303 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.071 12.531 -9.890 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.086 12.728 -12.195 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.528 12.268 -11.538 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.521 14.271 -10.114 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.097 14.727 -10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.347 15.941 -11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.141 14.944 -12.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.614 14.502 -12.337 1.00 0.00 H new ATOM 495 N ASP A 29 11.111 7.768 -10.392 1.00 0.00 N ATOM 496 CA ASP A 29 11.270 6.348 -10.897 1.00 0.00 C ATOM 497 C ASP A 29 11.312 5.255 -9.806 1.00 0.00 C ATOM 498 O ASP A 29 10.805 4.165 -10.138 1.00 0.00 O ATOM 499 CB ASP A 29 12.574 6.238 -11.712 1.00 0.00 C ATOM 500 CG ASP A 29 12.676 6.995 -13.003 1.00 0.00 C ATOM 501 OD1 ASP A 29 12.125 6.572 -14.046 1.00 0.00 O ATOM 502 OD2 ASP A 29 13.319 8.187 -12.877 1.00 0.00 O ATOM 0 H ASP A 29 11.903 8.376 -10.598 1.00 0.00 H new ATOM 0 HA ASP A 29 10.375 6.164 -11.492 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.394 6.563 -11.071 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.740 5.183 -11.932 1.00 0.00 H new ATOM 508 N ALA A 30 11.782 5.463 -8.531 1.00 0.00 N ATOM 509 CA ALA A 30 11.702 4.405 -7.492 1.00 0.00 C ATOM 510 C ALA A 30 10.221 4.265 -6.922 1.00 0.00 C ATOM 511 O ALA A 30 9.723 3.129 -6.828 1.00 0.00 O ATOM 512 CB ALA A 30 12.804 4.644 -6.410 1.00 0.00 C ATOM 0 H ALA A 30 12.208 6.334 -8.215 1.00 0.00 H new ATOM 0 HA ALA A 30 11.916 3.431 -7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.742 3.866 -5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 30 13.787 4.615 -6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.652 5.618 -5.945 1.00 0.00 H new ATOM 518 N VAL A 31 9.545 5.362 -6.558 1.00 0.00 N ATOM 519 CA VAL A 31 8.120 5.406 -6.107 1.00 0.00 C ATOM 520 C VAL A 31 7.154 4.656 -7.145 1.00 0.00 C ATOM 521 O VAL A 31 6.273 3.877 -6.777 1.00 0.00 O ATOM 522 CB VAL A 31 7.662 6.882 -5.869 1.00 0.00 C ATOM 523 CG1 VAL A 31 6.192 7.032 -5.422 1.00 0.00 C ATOM 524 CG2 VAL A 31 8.414 7.794 -4.857 1.00 0.00 C ATOM 0 H VAL A 31 9.978 6.285 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 31 8.051 4.874 -5.158 1.00 0.00 H new ATOM 0 HB VAL A 31 7.888 7.217 -6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.961 8.088 -5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.535 6.616 -6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.041 6.498 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.945 8.778 -4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.369 7.349 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.455 7.895 -5.163 1.00 0.00 H new ATOM 534 N ASP A 32 7.433 4.869 -8.407 1.00 0.00 N ATOM 535 CA ASP A 32 6.672 4.217 -9.474 1.00 0.00 C ATOM 536 C ASP A 32 7.125 2.730 -9.725 1.00 0.00 C ATOM 537 O ASP A 32 6.251 1.952 -10.004 1.00 0.00 O ATOM 538 CB ASP A 32 6.775 5.064 -10.820 1.00 0.00 C ATOM 539 CG ASP A 32 6.229 6.477 -10.803 1.00 0.00 C ATOM 540 OD1 ASP A 32 5.342 6.812 -10.050 1.00 0.00 O ATOM 541 OD2 ASP A 32 6.830 7.368 -11.641 1.00 0.00 O ATOM 0 H ASP A 32 8.178 5.485 -8.733 1.00 0.00 H new ATOM 0 HA ASP A 32 5.633 4.178 -9.146 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.826 5.113 -11.106 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.256 4.513 -11.604 1.00 0.00 H new ATOM 547 N SER A 33 8.415 2.410 -9.528 1.00 0.00 N ATOM 548 CA SER A 33 8.924 0.987 -9.660 1.00 0.00 C ATOM 549 C SER A 33 8.171 0.092 -8.642 1.00 0.00 C ATOM 550 O SER A 33 7.576 -0.896 -9.049 1.00 0.00 O ATOM 551 CB SER A 33 10.425 0.890 -9.399 1.00 0.00 C ATOM 552 OG SER A 33 11.245 1.598 -10.322 1.00 0.00 O ATOM 0 H SER A 33 9.134 3.089 -9.279 1.00 0.00 H new ATOM 0 HA SER A 33 8.743 0.655 -10.682 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.628 1.263 -8.395 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.713 -0.161 -9.413 1.00 0.00 H new ATOM 0 HG SER A 33 10.960 2.535 -10.360 1.00 0.00 H new ATOM 558 N ALA A 34 8.103 0.436 -7.318 1.00 0.00 N ATOM 559 CA ALA A 34 7.305 -0.378 -6.311 1.00 0.00 C ATOM 560 C ALA A 34 5.788 -0.094 -6.291 1.00 0.00 C ATOM 561 O ALA A 34 5.087 -0.998 -5.835 1.00 0.00 O ATOM 562 CB ALA A 34 7.875 -0.528 -4.960 1.00 0.00 C ATOM 0 H ALA A 34 8.574 1.248 -6.919 1.00 0.00 H new ATOM 0 HA ALA A 34 7.420 -1.373 -6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.204 -1.130 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.845 -1.020 -5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.998 0.455 -4.506 1.00 0.00 H new ATOM 568 N VAL A 35 5.202 1.040 -6.742 1.00 0.00 N ATOM 569 CA VAL A 35 3.700 1.113 -6.883 1.00 0.00 C ATOM 570 C VAL A 35 3.375 -0.079 -7.891 1.00 0.00 C ATOM 571 O VAL A 35 2.606 -0.967 -7.576 1.00 0.00 O ATOM 572 CB VAL A 35 3.371 2.566 -7.325 1.00 0.00 C ATOM 573 CG1 VAL A 35 2.019 2.699 -8.091 1.00 0.00 C ATOM 574 CG2 VAL A 35 3.412 3.570 -6.189 1.00 0.00 C ATOM 0 H VAL A 35 5.704 1.888 -7.007 1.00 0.00 H new ATOM 0 HA VAL A 35 3.079 0.964 -6.000 1.00 0.00 H new ATOM 0 HB VAL A 35 4.176 2.807 -8.020 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.858 3.741 -8.367 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.049 2.086 -8.992 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.203 2.363 -7.451 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.172 4.562 -6.571 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.684 3.289 -5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.409 3.582 -5.750 1.00 0.00 H new ATOM 584 N GLU A 36 4.136 -0.168 -9.002 1.00 0.00 N ATOM 585 CA GLU A 36 4.138 -1.281 -9.967 1.00 0.00 C ATOM 586 C GLU A 36 4.428 -2.679 -9.229 1.00 0.00 C ATOM 587 O GLU A 36 3.652 -3.620 -9.627 1.00 0.00 O ATOM 588 CB GLU A 36 5.126 -1.005 -11.118 1.00 0.00 C ATOM 589 CG GLU A 36 4.720 0.109 -12.110 1.00 0.00 C ATOM 590 CD GLU A 36 5.578 0.386 -13.306 1.00 0.00 C ATOM 591 OE1 GLU A 36 5.465 -0.082 -14.403 1.00 0.00 O ATOM 592 OE2 GLU A 36 6.590 1.235 -12.913 1.00 0.00 O ATOM 0 H GLU A 36 4.794 0.568 -9.260 1.00 0.00 H new ATOM 0 HA GLU A 36 3.146 -1.359 -10.412 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.092 -0.744 -10.686 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.267 -1.929 -11.679 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.720 -0.128 -12.474 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.642 1.037 -11.543 1.00 0.00 H new ATOM 600 N LYS A 37 5.341 -2.804 -8.192 1.00 0.00 N ATOM 601 CA LYS A 37 5.451 -4.081 -7.439 1.00 0.00 C ATOM 602 C LYS A 37 4.098 -4.424 -6.662 1.00 0.00 C ATOM 603 O LYS A 37 3.661 -5.560 -6.728 1.00 0.00 O ATOM 604 CB LYS A 37 6.672 -4.131 -6.418 1.00 0.00 C ATOM 605 CG LYS A 37 8.090 -4.141 -7.057 1.00 0.00 C ATOM 606 CD LYS A 37 9.356 -4.021 -6.109 1.00 0.00 C ATOM 607 CE LYS A 37 10.671 -3.863 -6.919 1.00 0.00 C ATOM 608 NZ LYS A 37 11.872 -3.884 -6.036 1.00 0.00 N ATOM 0 H LYS A 37 5.974 -2.065 -7.884 1.00 0.00 H new ATOM 0 HA LYS A 37 5.641 -4.835 -8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.600 -3.270 -5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.567 -5.022 -5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.190 -5.066 -7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.135 -3.321 -7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.233 -3.165 -5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.422 -4.907 -5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.745 -4.666 -7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.645 -2.926 -7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.730 -3.776 -6.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.814 -3.102 -5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.911 -4.789 -5.524 1.00 0.00 H new ATOM 621 N ALA A 38 3.402 -3.529 -5.955 1.00 0.00 N ATOM 622 CA ALA A 38 2.052 -3.904 -5.286 1.00 0.00 C ATOM 623 C ALA A 38 0.825 -4.167 -6.264 1.00 0.00 C ATOM 624 O ALA A 38 -0.125 -4.847 -5.986 1.00 0.00 O ATOM 625 CB ALA A 38 1.619 -2.851 -4.227 1.00 0.00 C ATOM 0 H ALA A 38 3.696 -2.564 -5.806 1.00 0.00 H new ATOM 0 HA ALA A 38 2.281 -4.863 -4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.670 -3.151 -3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.379 -2.784 -3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.504 -1.879 -4.706 1.00 0.00 H new ATOM 631 N LEU A 39 0.838 -3.425 -7.384 1.00 0.00 N ATOM 632 CA LEU A 39 -0.178 -3.477 -8.533 1.00 0.00 C ATOM 633 C LEU A 39 -0.070 -4.867 -9.092 1.00 0.00 C ATOM 634 O LEU A 39 -1.106 -5.588 -9.293 1.00 0.00 O ATOM 635 CB LEU A 39 0.062 -2.422 -9.631 1.00 0.00 C ATOM 636 CG LEU A 39 -0.127 -0.977 -9.161 1.00 0.00 C ATOM 637 CD1 LEU A 39 0.373 -0.088 -10.328 1.00 0.00 C ATOM 638 CD2 LEU A 39 -1.497 -0.522 -8.662 1.00 0.00 C ATOM 0 H LEU A 39 1.570 -2.736 -7.554 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.174 -3.245 -8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.075 -2.538 -10.016 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.618 -2.615 -10.460 1.00 0.00 H new ATOM 0 HG LEU A 39 0.442 -0.886 -8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.266 0.962 -10.057 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.422 -0.306 -10.528 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.217 -0.294 -11.221 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.448 0.527 -8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.233 -0.644 -9.457 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.789 -1.124 -7.802 1.00 0.00 H new ATOM 650 N LYS A 40 1.147 -5.272 -9.521 1.00 0.00 N ATOM 651 CA LYS A 40 1.413 -6.711 -9.720 1.00 0.00 C ATOM 652 C LYS A 40 0.962 -7.445 -8.496 1.00 0.00 C ATOM 653 O LYS A 40 0.491 -8.533 -8.747 1.00 0.00 O ATOM 654 CB LYS A 40 2.983 -6.913 -9.791 1.00 0.00 C ATOM 655 CG LYS A 40 3.611 -8.252 -9.332 1.00 0.00 C ATOM 656 CD LYS A 40 3.457 -8.685 -7.855 1.00 0.00 C ATOM 657 CE LYS A 40 4.649 -9.478 -7.303 1.00 0.00 C ATOM 658 NZ LYS A 40 5.820 -8.654 -6.927 1.00 0.00 N ATOM 0 H LYS A 40 1.929 -4.651 -9.728 1.00 0.00 H new ATOM 0 HA LYS A 40 0.908 -7.064 -10.619 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.285 -6.751 -10.826 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.439 -6.120 -9.198 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.190 -9.043 -9.952 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.678 -8.208 -9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.311 -7.796 -7.241 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.556 -9.291 -7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.321 -10.039 -6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.960 -10.207 -8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.576 -9.270 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.164 -8.138 -7.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.544 -7.975 -6.189 1.00 0.00 H new ATOM 671 N VAL A 41 1.178 -7.000 -7.150 1.00 0.00 N ATOM 672 CA VAL A 41 0.815 -7.844 -5.923 1.00 0.00 C ATOM 673 C VAL A 41 -0.554 -8.658 -6.137 1.00 0.00 C ATOM 674 O VAL A 41 -0.733 -9.858 -5.859 1.00 0.00 O ATOM 675 CB VAL A 41 0.970 -7.286 -4.433 1.00 0.00 C ATOM 676 CG1 VAL A 41 0.312 -8.210 -3.306 1.00 0.00 C ATOM 677 CG2 VAL A 41 2.488 -7.193 -3.997 1.00 0.00 C ATOM 0 H VAL A 41 1.587 -6.094 -6.919 1.00 0.00 H new ATOM 0 HA VAL A 41 1.683 -8.503 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 41 0.468 -6.320 -4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.465 -7.755 -2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.756 -8.311 -3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.779 -9.195 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.551 -6.810 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.940 -8.184 -4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.020 -6.522 -4.671 1.00 0.00 H new ATOM 687 N TRP A 42 -1.442 -7.744 -6.562 1.00 0.00 N ATOM 688 CA TRP A 42 -2.851 -7.984 -6.909 1.00 0.00 C ATOM 689 C TRP A 42 -3.002 -8.925 -8.161 1.00 0.00 C ATOM 690 O TRP A 42 -3.520 -10.076 -8.146 1.00 0.00 O ATOM 691 CB TRP A 42 -3.436 -6.540 -6.814 1.00 0.00 C ATOM 692 CG TRP A 42 -3.468 -5.861 -5.355 1.00 0.00 C ATOM 693 CD1 TRP A 42 -2.760 -4.670 -5.127 1.00 0.00 C ATOM 694 CD2 TRP A 42 -3.446 -6.457 -4.085 1.00 0.00 C ATOM 695 NE1 TRP A 42 -2.291 -4.527 -3.831 1.00 0.00 N ATOM 696 CE2 TRP A 42 -2.675 -5.619 -3.196 1.00 0.00 C ATOM 697 CE3 TRP A 42 -4.016 -7.675 -3.583 1.00 0.00 C ATOM 698 CZ2 TRP A 42 -2.534 -6.001 -1.827 1.00 0.00 C ATOM 699 CZ3 TRP A 42 -3.835 -7.999 -2.247 1.00 0.00 C ATOM 700 CH2 TRP A 42 -3.134 -7.181 -1.388 1.00 0.00 C ATOM 0 H TRP A 42 -1.181 -6.765 -6.679 1.00 0.00 H new ATOM 0 HA TRP A 42 -3.474 -8.611 -6.271 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -2.857 -5.895 -7.475 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.455 -6.561 -7.201 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.595 -3.929 -5.896 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.761 -3.744 -3.448 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.577 -8.328 -4.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.971 -5.385 -1.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.256 -8.919 -1.869 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -3.047 -7.461 -0.348 1.00 0.00 H new ATOM 711 N GLU A 43 -2.369 -8.525 -9.274 1.00 0.00 N ATOM 712 CA GLU A 43 -2.226 -9.332 -10.529 1.00 0.00 C ATOM 713 C GLU A 43 -1.578 -10.775 -10.351 1.00 0.00 C ATOM 714 O GLU A 43 -1.946 -11.627 -11.177 1.00 0.00 O ATOM 715 CB GLU A 43 -1.463 -8.433 -11.535 1.00 0.00 C ATOM 716 CG GLU A 43 -1.680 -8.680 -13.020 1.00 0.00 C ATOM 717 CD GLU A 43 -0.776 -7.819 -13.913 1.00 0.00 C ATOM 718 OE1 GLU A 43 -1.140 -6.885 -14.639 1.00 0.00 O ATOM 719 OE2 GLU A 43 0.493 -8.259 -13.876 1.00 0.00 O ATOM 0 H GLU A 43 -1.925 -7.609 -9.344 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.217 -9.593 -10.899 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.730 -7.397 -11.326 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.397 -8.535 -11.332 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.499 -9.733 -13.237 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.722 -8.479 -13.267 1.00 0.00 H new ATOM 727 N GLU A 44 -0.651 -10.980 -9.416 1.00 0.00 N ATOM 728 CA GLU A 44 -0.096 -12.325 -9.055 1.00 0.00 C ATOM 729 C GLU A 44 -1.127 -13.100 -8.171 1.00 0.00 C ATOM 730 O GLU A 44 -1.305 -14.298 -8.353 1.00 0.00 O ATOM 731 CB GLU A 44 1.275 -12.252 -8.389 1.00 0.00 C ATOM 732 CG GLU A 44 2.427 -12.219 -9.488 1.00 0.00 C ATOM 733 CD GLU A 44 3.862 -12.597 -9.054 1.00 0.00 C ATOM 734 OE1 GLU A 44 4.109 -13.129 -7.971 1.00 0.00 O ATOM 735 OE2 GLU A 44 4.765 -12.208 -9.936 1.00 0.00 O ATOM 0 H GLU A 44 -0.246 -10.220 -8.869 1.00 0.00 H new ATOM 0 HA GLU A 44 0.064 -12.873 -9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.335 -11.361 -7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.414 -13.112 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.136 -12.890 -10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.460 -11.213 -9.906 1.00 0.00 H new ATOM 743 N VAL A 45 -1.978 -12.392 -7.289 1.00 0.00 N ATOM 744 CA VAL A 45 -3.127 -13.029 -6.503 1.00 0.00 C ATOM 745 C VAL A 45 -4.033 -13.941 -7.372 1.00 0.00 C ATOM 746 O VAL A 45 -4.162 -15.133 -7.237 1.00 0.00 O ATOM 747 CB VAL A 45 -4.064 -12.029 -5.557 1.00 0.00 C ATOM 748 CG1 VAL A 45 -3.183 -10.979 -4.954 1.00 0.00 C ATOM 749 CG2 VAL A 45 -5.297 -11.122 -6.069 1.00 0.00 C ATOM 0 H VAL A 45 -1.880 -11.392 -7.116 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.568 -13.634 -5.790 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.529 -12.826 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.782 -10.315 -4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.415 -11.455 -4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.709 -10.402 -5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.720 -10.574 -5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.942 -10.416 -6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.063 -11.763 -6.506 1.00 0.00 H new ATOM 759 N THR A 46 -4.948 -13.218 -7.982 1.00 0.00 N ATOM 760 CA THR A 46 -5.966 -13.807 -8.888 1.00 0.00 C ATOM 761 C THR A 46 -5.670 -13.059 -10.231 1.00 0.00 C ATOM 762 O THR A 46 -4.569 -12.527 -10.402 1.00 0.00 O ATOM 763 CB THR A 46 -7.359 -13.672 -8.173 1.00 0.00 C ATOM 764 OG1 THR A 46 -7.786 -12.348 -8.122 1.00 0.00 O ATOM 765 CG2 THR A 46 -7.420 -14.247 -6.802 1.00 0.00 C ATOM 0 H THR A 46 -5.025 -12.206 -7.878 1.00 0.00 H new ATOM 0 HA THR A 46 -5.953 -14.872 -9.118 1.00 0.00 H new ATOM 0 HB THR A 46 -8.027 -14.266 -8.797 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.656 -12.302 -7.673 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.420 -14.105 -6.392 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.193 -15.312 -6.844 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.692 -13.745 -6.164 1.00 0.00 H new ATOM 773 N PRO A 47 -6.629 -12.823 -11.150 1.00 0.00 N ATOM 774 CA PRO A 47 -6.285 -11.931 -12.296 1.00 0.00 C ATOM 775 C PRO A 47 -6.516 -10.404 -11.867 1.00 0.00 C ATOM 776 O PRO A 47 -7.012 -9.713 -12.750 1.00 0.00 O ATOM 777 CB PRO A 47 -7.308 -12.477 -13.332 1.00 0.00 C ATOM 778 CG PRO A 47 -8.576 -12.834 -12.572 1.00 0.00 C ATOM 779 CD PRO A 47 -8.020 -13.251 -11.191 1.00 0.00 C ATOM 0 HA PRO A 47 -5.259 -11.935 -12.663 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.516 -11.729 -14.097 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.907 -13.352 -13.843 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.259 -11.987 -12.498 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.124 -13.644 -13.052 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.591 -12.786 -10.388 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.097 -14.330 -11.053 1.00 0.00 H new ATOM 787 N LEU A 48 -6.132 -9.747 -10.712 1.00 0.00 N ATOM 788 CA LEU A 48 -6.457 -8.311 -10.498 1.00 0.00 C ATOM 789 C LEU A 48 -5.557 -7.310 -11.309 1.00 0.00 C ATOM 790 O LEU A 48 -4.332 -7.093 -11.119 1.00 0.00 O ATOM 791 CB LEU A 48 -6.509 -7.997 -9.024 1.00 0.00 C ATOM 792 CG LEU A 48 -7.574 -8.706 -8.146 1.00 0.00 C ATOM 793 CD1 LEU A 48 -7.466 -8.107 -6.701 1.00 0.00 C ATOM 794 CD2 LEU A 48 -8.927 -8.540 -8.774 1.00 0.00 C ATOM 0 H LEU A 48 -5.616 -10.184 -9.949 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.451 -8.153 -10.915 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.530 -8.225 -8.603 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.658 -6.922 -8.921 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.408 -9.781 -8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.202 -8.583 -6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.466 -8.287 -6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.655 -7.034 -6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.677 -9.037 -8.159 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.165 -7.479 -8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.923 -8.983 -9.770 1.00 0.00 H new ATOM 806 N THR A 49 -6.162 -6.694 -12.335 1.00 0.00 N ATOM 807 CA THR A 49 -5.461 -5.743 -13.265 1.00 0.00 C ATOM 808 C THR A 49 -5.322 -4.352 -12.643 1.00 0.00 C ATOM 809 O THR A 49 -5.226 -4.296 -11.449 1.00 0.00 O ATOM 810 CB THR A 49 -5.871 -5.812 -14.782 1.00 0.00 C ATOM 811 OG1 THR A 49 -6.476 -7.099 -15.064 1.00 0.00 O ATOM 812 CG2 THR A 49 -4.743 -5.528 -15.857 1.00 0.00 C ATOM 0 H THR A 49 -7.148 -6.828 -12.559 1.00 0.00 H new ATOM 0 HA THR A 49 -4.441 -6.116 -13.362 1.00 0.00 H new ATOM 0 HB THR A 49 -6.566 -4.980 -14.896 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.732 -7.140 -16.009 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.166 -5.609 -16.858 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.346 -4.523 -15.711 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.940 -6.256 -15.742 1.00 0.00 H new ATOM 820 N PHE A 50 -4.966 -3.306 -13.372 1.00 0.00 N ATOM 821 CA PHE A 50 -4.642 -1.959 -12.962 1.00 0.00 C ATOM 822 C PHE A 50 -4.258 -1.039 -14.158 1.00 0.00 C ATOM 823 O PHE A 50 -3.304 -1.323 -14.928 1.00 0.00 O ATOM 824 CB PHE A 50 -3.440 -1.851 -11.933 1.00 0.00 C ATOM 825 CG PHE A 50 -3.982 -1.826 -10.457 1.00 0.00 C ATOM 826 CD1 PHE A 50 -4.716 -0.657 -9.953 1.00 0.00 C ATOM 827 CD2 PHE A 50 -3.710 -2.860 -9.579 1.00 0.00 C ATOM 828 CE1 PHE A 50 -5.102 -0.606 -8.607 1.00 0.00 C ATOM 829 CE2 PHE A 50 -4.131 -2.802 -8.269 1.00 0.00 C ATOM 830 CZ PHE A 50 -4.881 -1.730 -7.775 1.00 0.00 C ATOM 0 H PHE A 50 -4.890 -3.399 -14.385 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.567 -1.635 -12.484 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.764 -2.696 -12.064 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.864 -0.947 -12.131 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.957 0.160 -10.617 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.161 -3.723 -9.925 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.565 0.284 -8.207 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.874 -3.611 -7.601 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.285 -1.759 -6.774 1.00 0.00 H new ATOM 840 N SER A 51 -4.941 0.123 -14.281 1.00 0.00 N ATOM 841 CA SER A 51 -4.652 1.132 -15.385 1.00 0.00 C ATOM 842 C SER A 51 -4.118 2.466 -14.743 1.00 0.00 C ATOM 843 O SER A 51 -4.777 2.974 -13.865 1.00 0.00 O ATOM 844 CB SER A 51 -5.882 1.326 -16.303 1.00 0.00 C ATOM 845 OG SER A 51 -6.747 2.333 -15.728 1.00 0.00 O ATOM 0 H SER A 51 -5.691 0.404 -13.649 1.00 0.00 H new ATOM 0 HA SER A 51 -3.867 0.754 -16.041 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.563 1.629 -17.300 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.421 0.385 -16.413 1.00 0.00 H new ATOM 0 HG SER A 51 -7.338 2.692 -16.423 1.00 0.00 H new ATOM 851 N ARG A 52 -2.938 2.968 -15.087 1.00 0.00 N ATOM 852 CA ARG A 52 -2.283 4.217 -14.467 1.00 0.00 C ATOM 853 C ARG A 52 -2.972 5.519 -14.974 1.00 0.00 C ATOM 854 O ARG A 52 -3.135 5.777 -16.165 1.00 0.00 O ATOM 855 CB ARG A 52 -0.779 4.180 -14.904 1.00 0.00 C ATOM 856 CG ARG A 52 0.177 5.171 -14.194 1.00 0.00 C ATOM 857 CD ARG A 52 1.639 4.821 -14.442 1.00 0.00 C ATOM 858 NE ARG A 52 2.436 5.875 -13.847 1.00 0.00 N ATOM 859 CZ ARG A 52 3.748 5.950 -13.759 1.00 0.00 C ATOM 860 NH1 ARG A 52 4.591 5.035 -14.129 1.00 0.00 N ATOM 861 NH2 ARG A 52 4.182 7.094 -13.245 1.00 0.00 N ATOM 0 H ARG A 52 -2.362 2.544 -15.814 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.383 4.215 -13.382 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.403 3.170 -14.743 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.732 4.371 -15.976 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.020 6.183 -14.548 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.022 5.164 -13.122 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.884 3.856 -13.999 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.840 4.742 -15.510 1.00 0.00 H new ATOM 0 HE ARG A 52 1.916 6.656 -13.447 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.251 4.161 -14.530 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.593 5.190 -14.019 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.515 7.812 -12.962 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.183 7.255 -13.133 1.00 0.00 H new ATOM 874 N LEU A 53 -3.309 6.363 -14.011 1.00 0.00 N ATOM 875 CA LEU A 53 -3.913 7.667 -14.242 1.00 0.00 C ATOM 876 C LEU A 53 -3.175 8.781 -13.400 1.00 0.00 C ATOM 877 O LEU A 53 -2.553 8.584 -12.313 1.00 0.00 O ATOM 878 CB LEU A 53 -5.434 7.528 -13.823 1.00 0.00 C ATOM 879 CG LEU A 53 -6.363 6.591 -14.592 1.00 0.00 C ATOM 880 CD1 LEU A 53 -7.702 6.364 -13.862 1.00 0.00 C ATOM 881 CD2 LEU A 53 -6.647 7.008 -16.026 1.00 0.00 C ATOM 0 H LEU A 53 -3.167 6.155 -13.023 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.828 7.971 -15.285 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.454 7.216 -12.779 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.873 8.525 -13.866 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.800 5.658 -14.634 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.327 5.691 -14.449 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.513 5.922 -12.884 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.214 7.318 -13.737 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.315 6.282 -16.490 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.118 7.991 -16.033 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.712 7.050 -16.585 1.00 0.00 H new ATOM 893 N TYR A 54 -3.351 10.001 -13.913 1.00 0.00 N ATOM 894 CA TYR A 54 -2.798 11.251 -13.455 1.00 0.00 C ATOM 895 C TYR A 54 -3.928 12.356 -13.230 1.00 0.00 C ATOM 896 O TYR A 54 -3.610 13.400 -12.616 1.00 0.00 O ATOM 897 CB TYR A 54 -1.732 11.792 -14.455 1.00 0.00 C ATOM 898 CG TYR A 54 -0.605 10.794 -14.860 1.00 0.00 C ATOM 899 CD1 TYR A 54 0.358 10.427 -13.920 1.00 0.00 C ATOM 900 CD2 TYR A 54 -0.573 10.217 -16.169 1.00 0.00 C ATOM 901 CE1 TYR A 54 1.241 9.410 -14.239 1.00 0.00 C ATOM 902 CE2 TYR A 54 0.398 9.241 -16.478 1.00 0.00 C ATOM 903 CZ TYR A 54 1.293 8.826 -15.511 1.00 0.00 C ATOM 904 OH TYR A 54 2.102 7.784 -15.801 1.00 0.00 O ATOM 0 H TYR A 54 -3.940 10.137 -14.734 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.321 11.049 -12.496 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.244 12.117 -15.360 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.267 12.675 -14.017 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.413 10.926 -12.964 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.288 10.527 -16.917 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.917 9.052 -13.476 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.442 8.818 -17.471 1.00 0.00 H new ATOM 0 HH TYR A 54 1.984 7.530 -16.740 1.00 0.00 H new ATOM 914 N GLU A 55 -5.144 12.138 -13.798 1.00 0.00 N ATOM 915 CA GLU A 55 -6.296 13.028 -13.674 1.00 0.00 C ATOM 916 C GLU A 55 -7.636 12.157 -13.413 1.00 0.00 C ATOM 917 O GLU A 55 -7.604 10.922 -13.461 1.00 0.00 O ATOM 918 CB GLU A 55 -6.543 13.931 -14.929 1.00 0.00 C ATOM 919 CG GLU A 55 -5.334 14.714 -15.493 1.00 0.00 C ATOM 920 CD GLU A 55 -5.680 15.706 -16.628 1.00 0.00 C ATOM 921 OE1 GLU A 55 -5.671 15.379 -17.815 1.00 0.00 O ATOM 922 OE2 GLU A 55 -6.021 16.917 -16.216 1.00 0.00 O ATOM 0 H GLU A 55 -5.340 11.314 -14.366 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.069 13.687 -12.836 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.936 13.300 -15.726 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.322 14.650 -14.678 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.863 15.264 -14.679 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.598 14.001 -15.864 1.00 0.00 H new ATOM 930 N GLY A 56 -8.764 12.797 -13.124 1.00 0.00 N ATOM 931 CA GLY A 56 -10.055 12.043 -12.850 1.00 0.00 C ATOM 932 C GLY A 56 -10.176 11.270 -11.522 1.00 0.00 C ATOM 933 O GLY A 56 -9.431 11.487 -10.566 1.00 0.00 O ATOM 0 H GLY A 56 -8.846 13.812 -13.066 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.875 12.759 -12.895 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.206 11.334 -13.664 1.00 0.00 H new ATOM 937 N GLU A 57 -11.249 10.433 -11.530 1.00 0.00 N ATOM 938 CA GLU A 57 -11.664 9.571 -10.390 1.00 0.00 C ATOM 939 C GLU A 57 -11.617 7.994 -10.748 1.00 0.00 C ATOM 940 O GLU A 57 -11.894 7.532 -11.897 1.00 0.00 O ATOM 941 CB GLU A 57 -13.096 9.951 -9.942 1.00 0.00 C ATOM 942 CG GLU A 57 -13.474 9.549 -8.436 1.00 0.00 C ATOM 943 CD GLU A 57 -14.838 9.988 -8.038 1.00 0.00 C ATOM 944 OE1 GLU A 57 -15.843 9.311 -8.172 1.00 0.00 O ATOM 945 OE2 GLU A 57 -14.851 11.207 -7.434 1.00 0.00 O ATOM 0 H GLU A 57 -11.859 10.337 -12.342 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.951 9.744 -9.584 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.220 11.028 -10.055 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.808 9.476 -10.617 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.401 8.467 -8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.745 9.988 -7.755 1.00 0.00 H new ATOM 953 N ALA A 58 -11.091 7.262 -9.812 1.00 0.00 N ATOM 954 CA ALA A 58 -10.863 5.813 -9.900 1.00 0.00 C ATOM 955 C ALA A 58 -10.463 5.521 -8.444 1.00 0.00 C ATOM 956 O ALA A 58 -9.298 5.679 -8.124 1.00 0.00 O ATOM 957 CB ALA A 58 -9.814 5.447 -10.980 1.00 0.00 C ATOM 0 H ALA A 58 -10.789 7.655 -8.921 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.707 5.209 -10.234 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.681 4.365 -11.006 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.159 5.794 -11.954 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.864 5.924 -10.740 1.00 0.00 H new ATOM 963 N ASP A 59 -11.330 4.997 -7.524 1.00 0.00 N ATOM 964 CA ASP A 59 -11.112 4.756 -6.030 1.00 0.00 C ATOM 965 C ASP A 59 -10.028 3.729 -5.506 1.00 0.00 C ATOM 966 O ASP A 59 -10.127 2.845 -4.651 1.00 0.00 O ATOM 967 CB ASP A 59 -12.453 4.588 -5.283 1.00 0.00 C ATOM 968 CG ASP A 59 -12.470 4.942 -3.827 1.00 0.00 C ATOM 969 OD1 ASP A 59 -11.605 5.552 -3.178 1.00 0.00 O ATOM 970 OD2 ASP A 59 -13.563 4.435 -3.214 1.00 0.00 O ATOM 0 H ASP A 59 -12.266 4.707 -7.808 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.606 5.688 -5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.201 5.198 -5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.768 3.549 -5.383 1.00 0.00 H new ATOM 976 N ILE A 60 -8.894 4.174 -5.938 1.00 0.00 N ATOM 977 CA ILE A 60 -7.511 3.712 -5.628 1.00 0.00 C ATOM 978 C ILE A 60 -6.613 4.832 -6.192 1.00 0.00 C ATOM 979 O ILE A 60 -5.901 4.778 -7.205 1.00 0.00 O ATOM 980 CB ILE A 60 -7.136 2.192 -5.870 1.00 0.00 C ATOM 981 CG1 ILE A 60 -5.570 1.959 -5.851 1.00 0.00 C ATOM 982 CG2 ILE A 60 -7.600 1.560 -7.195 1.00 0.00 C ATOM 983 CD1 ILE A 60 -4.808 2.683 -4.737 1.00 0.00 C ATOM 0 H ILE A 60 -8.872 4.957 -6.591 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.350 3.599 -4.556 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.669 1.717 -5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.381 0.889 -5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.162 2.275 -6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.279 0.519 -7.234 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.687 1.607 -7.260 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.163 2.106 -8.031 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.745 2.455 -4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.957 3.758 -4.834 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.179 2.351 -3.767 1.00 0.00 H new ATOM 995 N MET A 61 -6.680 5.863 -5.377 1.00 0.00 N ATOM 996 CA MET A 61 -5.913 7.098 -5.606 1.00 0.00 C ATOM 997 C MET A 61 -4.856 6.960 -4.493 1.00 0.00 C ATOM 998 O MET A 61 -5.098 7.133 -3.257 1.00 0.00 O ATOM 999 CB MET A 61 -6.811 8.344 -5.364 1.00 0.00 C ATOM 1000 CG MET A 61 -8.142 8.530 -6.136 1.00 0.00 C ATOM 1001 SD MET A 61 -7.999 9.452 -7.646 1.00 0.00 S ATOM 1002 CE MET A 61 -8.760 10.977 -7.104 1.00 0.00 C ATOM 0 H MET A 61 -7.260 5.883 -4.538 1.00 0.00 H new ATOM 0 HA MET A 61 -5.511 7.222 -6.612 1.00 0.00 H new ATOM 0 HB2 MET A 61 -7.053 8.362 -4.301 1.00 0.00 H new ATOM 0 HB3 MET A 61 -6.199 9.223 -5.566 1.00 0.00 H new ATOM 0 HG2 MET A 61 -8.555 7.547 -6.364 1.00 0.00 H new ATOM 0 HG3 MET A 61 -8.857 9.033 -5.485 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.764 11.693 -7.925 1.00 0.00 H new ATOM 0 HE2 MET A 61 -9.785 10.780 -6.789 1.00 0.00 H new ATOM 0 HE3 MET A 61 -8.195 11.388 -6.267 1.00 0.00 H new ATOM 1012 N ILE A 62 -3.609 6.673 -4.879 1.00 0.00 N ATOM 1013 CA ILE A 62 -2.537 6.458 -3.918 1.00 0.00 C ATOM 1014 C ILE A 62 -2.152 7.855 -3.273 1.00 0.00 C ATOM 1015 O ILE A 62 -1.454 8.634 -3.967 1.00 0.00 O ATOM 1016 CB ILE A 62 -1.377 5.718 -4.731 1.00 0.00 C ATOM 1017 CG1 ILE A 62 -1.794 4.398 -5.481 1.00 0.00 C ATOM 1018 CG2 ILE A 62 -0.173 5.438 -3.877 1.00 0.00 C ATOM 1019 CD1 ILE A 62 -0.611 3.799 -6.295 1.00 0.00 C ATOM 0 H ILE A 62 -3.322 6.585 -5.854 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.796 5.827 -3.068 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.132 6.443 -5.507 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.146 3.664 -4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.627 4.608 -6.152 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.587 4.934 -4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.228 6.377 -3.495 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.460 4.799 -3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.939 2.889 -6.798 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.276 4.524 -7.037 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.213 3.564 -5.621 1.00 0.00 H new ATOM 1031 N SER A 63 -2.490 8.116 -1.945 1.00 0.00 N ATOM 1032 CA SER A 63 -2.074 9.378 -1.373 1.00 0.00 C ATOM 1033 C SER A 63 -1.285 9.725 -0.021 1.00 0.00 C ATOM 1034 O SER A 63 -0.403 8.994 0.356 1.00 0.00 O ATOM 1035 CB SER A 63 -3.180 10.389 -1.878 1.00 0.00 C ATOM 1036 OG SER A 63 -4.096 10.749 -0.885 1.00 0.00 O ATOM 0 H SER A 63 -3.011 7.493 -1.328 1.00 0.00 H new ATOM 0 HA SER A 63 -1.020 9.413 -1.647 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.694 11.288 -2.257 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.718 9.941 -2.713 1.00 0.00 H new ATOM 0 HG SER A 63 -4.640 9.970 -0.644 1.00 0.00 H new ATOM 1042 N PHE A 64 -1.333 11.091 0.070 1.00 0.00 N ATOM 1043 CA PHE A 64 -0.546 11.997 0.999 1.00 0.00 C ATOM 1044 C PHE A 64 -1.192 13.277 1.684 1.00 0.00 C ATOM 1045 O PHE A 64 -2.032 13.981 1.175 1.00 0.00 O ATOM 1046 CB PHE A 64 0.658 12.544 0.150 1.00 0.00 C ATOM 1047 CG PHE A 64 1.781 11.553 -0.209 1.00 0.00 C ATOM 1048 CD1 PHE A 64 1.691 10.819 -1.425 1.00 0.00 C ATOM 1049 CD2 PHE A 64 2.950 11.387 0.574 1.00 0.00 C ATOM 1050 CE1 PHE A 64 2.765 10.028 -1.816 1.00 0.00 C ATOM 1051 CE2 PHE A 64 4.026 10.652 0.123 1.00 0.00 C ATOM 1052 CZ PHE A 64 3.934 9.966 -1.067 1.00 0.00 C ATOM 0 H PHE A 64 -1.955 11.629 -0.533 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.359 11.341 1.849 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.258 12.950 -0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.104 13.375 0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.801 10.876 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.000 11.848 1.549 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.689 9.448 -2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.937 10.615 0.701 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.770 9.380 -1.418 1.00 0.00 H new ATOM 1062 N ALA A 65 -0.597 13.581 2.859 1.00 0.00 N ATOM 1063 CA ALA A 65 -0.935 14.731 3.731 1.00 0.00 C ATOM 1064 C ALA A 65 0.213 15.155 4.721 1.00 0.00 C ATOM 1065 O ALA A 65 0.535 14.623 5.811 1.00 0.00 O ATOM 1066 CB ALA A 65 -2.252 14.519 4.489 1.00 0.00 C ATOM 0 H ALA A 65 0.159 13.013 3.241 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.063 15.564 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.456 15.388 5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.065 14.386 3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.172 13.632 5.117 1.00 0.00 H new ATOM 1072 N VAL A 66 0.717 16.317 4.364 1.00 0.00 N ATOM 1073 CA VAL A 66 1.747 17.016 5.191 1.00 0.00 C ATOM 1074 C VAL A 66 1.050 17.678 6.460 1.00 0.00 C ATOM 1075 O VAL A 66 0.787 18.889 6.504 1.00 0.00 O ATOM 1076 CB VAL A 66 2.706 17.988 4.294 1.00 0.00 C ATOM 1077 CG1 VAL A 66 3.387 17.230 3.139 1.00 0.00 C ATOM 1078 CG2 VAL A 66 2.040 19.232 3.659 1.00 0.00 C ATOM 0 H VAL A 66 0.449 16.816 3.516 1.00 0.00 H new ATOM 0 HA VAL A 66 2.461 16.298 5.595 1.00 0.00 H new ATOM 0 HB VAL A 66 3.414 18.336 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.014 17.918 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.004 16.428 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.626 16.807 2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.783 19.792 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.237 18.915 2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.630 19.867 4.445 1.00 0.00 H new ATOM 1088 N ARG A 67 0.934 16.854 7.505 1.00 0.00 N ATOM 1089 CA ARG A 67 0.257 17.228 8.819 1.00 0.00 C ATOM 1090 C ARG A 67 -1.349 17.203 8.813 1.00 0.00 C ATOM 1091 O ARG A 67 -1.955 16.457 9.550 1.00 0.00 O ATOM 1092 CB ARG A 67 0.868 18.463 9.537 1.00 0.00 C ATOM 1093 CG ARG A 67 2.167 18.300 10.397 1.00 0.00 C ATOM 1094 CD ARG A 67 1.948 17.384 11.582 1.00 0.00 C ATOM 1095 NE ARG A 67 3.158 17.421 12.488 1.00 0.00 N ATOM 1096 CZ ARG A 67 3.224 17.147 13.761 1.00 0.00 C ATOM 1097 NH1 ARG A 67 2.195 16.717 14.427 1.00 0.00 N ATOM 1098 NH2 ARG A 67 4.359 17.205 14.389 1.00 0.00 N ATOM 0 H ARG A 67 1.296 15.901 7.497 1.00 0.00 H new ATOM 0 HA ARG A 67 0.514 16.383 9.457 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.075 19.213 8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.097 18.875 10.188 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.968 17.902 9.774 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.494 19.278 10.750 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.060 17.693 12.133 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.771 16.365 11.238 1.00 0.00 H new ATOM 0 HE ARG A 67 4.036 17.696 12.046 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.301 16.584 13.954 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.281 16.512 15.422 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.207 17.466 13.886 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.402 16.989 15.385 1.00 0.00 H new ATOM 1111 N GLU A 68 -1.963 18.044 7.976 1.00 0.00 N ATOM 1112 CA GLU A 68 -3.455 18.090 7.919 1.00 0.00 C ATOM 1113 C GLU A 68 -3.941 18.505 6.502 1.00 0.00 C ATOM 1114 O GLU A 68 -3.306 19.179 5.705 1.00 0.00 O ATOM 1115 CB GLU A 68 -3.983 19.083 9.012 1.00 0.00 C ATOM 1116 CG GLU A 68 -4.476 18.429 10.309 1.00 0.00 C ATOM 1117 CD GLU A 68 -5.734 17.590 10.073 1.00 0.00 C ATOM 1118 OE1 GLU A 68 -5.785 16.470 9.545 1.00 0.00 O ATOM 1119 OE2 GLU A 68 -6.854 18.238 10.449 1.00 0.00 O ATOM 0 H GLU A 68 -1.485 18.686 7.344 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.855 17.096 8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.185 19.784 9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.799 19.666 8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.689 17.798 10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.686 19.201 11.050 1.00 0.00 H new ATOM 1127 N HIS A 69 -5.217 18.164 6.256 1.00 0.00 N ATOM 1128 CA HIS A 69 -5.878 18.537 4.953 1.00 0.00 C ATOM 1129 C HIS A 69 -7.409 18.866 5.150 1.00 0.00 C ATOM 1130 O HIS A 69 -7.822 19.939 4.722 1.00 0.00 O ATOM 1131 CB HIS A 69 -5.507 17.535 3.817 1.00 0.00 C ATOM 1132 CG HIS A 69 -6.073 16.123 3.945 1.00 0.00 C ATOM 1133 ND1 HIS A 69 -5.439 15.196 4.708 1.00 0.00 N ATOM 1134 CD2 HIS A 69 -7.029 15.517 3.163 1.00 0.00 C ATOM 1135 CE1 HIS A 69 -5.997 14.065 4.230 1.00 0.00 C ATOM 1136 NE2 HIS A 69 -7.012 14.141 3.315 1.00 0.00 N ATOM 0 H HIS A 69 -5.811 17.648 6.905 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.471 19.481 4.592 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -5.844 17.954 2.869 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -4.421 17.464 3.766 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -7.708 16.048 2.512 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.644 13.102 4.568 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -7.578 13.412 2.881 1.00 0.00 H new ATOM 1144 N GLY A 70 -8.234 17.995 5.775 1.00 0.00 N ATOM 1145 CA GLY A 70 -9.695 18.242 5.987 1.00 0.00 C ATOM 1146 C GLY A 70 -10.612 17.009 5.775 1.00 0.00 C ATOM 1147 O GLY A 70 -11.436 16.980 4.860 1.00 0.00 O ATOM 0 H GLY A 70 -7.915 17.101 6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.841 18.613 7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.015 19.033 5.309 1.00 0.00 H new ATOM 1151 N ASP A 71 -10.541 16.054 6.700 1.00 0.00 N ATOM 1152 CA ASP A 71 -11.352 14.803 6.587 1.00 0.00 C ATOM 1153 C ASP A 71 -11.757 14.357 7.982 1.00 0.00 C ATOM 1154 O ASP A 71 -12.820 14.712 8.472 1.00 0.00 O ATOM 1155 CB ASP A 71 -10.727 13.669 5.659 1.00 0.00 C ATOM 1156 CG ASP A 71 -9.319 13.093 6.032 1.00 0.00 C ATOM 1157 OD1 ASP A 71 -8.487 13.686 6.695 1.00 0.00 O ATOM 1158 OD2 ASP A 71 -9.228 11.771 5.737 1.00 0.00 O ATOM 0 H ASP A 71 -9.948 16.102 7.528 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.260 15.032 6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.430 12.836 5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.665 14.066 4.646 1.00 0.00 H new ATOM 1164 N PHE A 72 -10.923 13.516 8.630 1.00 0.00 N ATOM 1165 CA PHE A 72 -11.265 12.997 9.989 1.00 0.00 C ATOM 1166 C PHE A 72 -10.098 12.680 10.979 1.00 0.00 C ATOM 1167 O PHE A 72 -10.244 12.914 12.177 1.00 0.00 O ATOM 1168 CB PHE A 72 -12.136 11.699 9.871 1.00 0.00 C ATOM 1169 CG PHE A 72 -13.587 11.767 9.241 1.00 0.00 C ATOM 1170 CD1 PHE A 72 -14.624 12.255 10.041 1.00 0.00 C ATOM 1171 CD2 PHE A 72 -13.833 11.260 7.922 1.00 0.00 C ATOM 1172 CE1 PHE A 72 -15.934 12.258 9.518 1.00 0.00 C ATOM 1173 CE2 PHE A 72 -15.144 11.274 7.442 1.00 0.00 C ATOM 1174 CZ PHE A 72 -16.165 11.759 8.235 1.00 0.00 C ATOM 0 H PHE A 72 -10.033 13.185 8.256 1.00 0.00 H new ATOM 0 HA PHE A 72 -11.788 13.848 10.426 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.564 10.978 9.287 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -12.239 11.287 10.875 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -14.427 12.622 11.038 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -13.025 10.877 7.316 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -16.753 12.644 10.107 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -15.360 10.905 6.450 1.00 0.00 H new ATOM 0 HZ PHE A 72 -17.174 11.752 7.850 1.00 0.00 H new ATOM 1184 N TYR A 73 -8.977 12.131 10.500 1.00 0.00 N ATOM 1185 CA TYR A 73 -7.861 11.704 11.358 1.00 0.00 C ATOM 1186 C TYR A 73 -6.575 12.619 11.285 1.00 0.00 C ATOM 1187 O TYR A 73 -5.787 12.361 10.392 1.00 0.00 O ATOM 1188 CB TYR A 73 -7.504 10.219 11.032 1.00 0.00 C ATOM 1189 CG TYR A 73 -8.518 9.120 11.295 1.00 0.00 C ATOM 1190 CD1 TYR A 73 -9.438 8.860 10.303 1.00 0.00 C ATOM 1191 CD2 TYR A 73 -8.495 8.315 12.451 1.00 0.00 C ATOM 1192 CE1 TYR A 73 -10.352 7.798 10.453 1.00 0.00 C ATOM 1193 CE2 TYR A 73 -9.355 7.198 12.575 1.00 0.00 C ATOM 1194 CZ TYR A 73 -10.281 6.942 11.561 1.00 0.00 C ATOM 1195 OH TYR A 73 -11.171 5.937 11.723 1.00 0.00 O ATOM 0 H TYR A 73 -8.815 11.969 9.506 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.209 11.804 12.386 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.243 10.173 9.975 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.604 9.971 11.594 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.459 9.469 9.412 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.812 8.553 13.253 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.116 7.642 9.706 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.296 6.554 13.440 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.966 5.448 12.547 1.00 0.00 H new ATOM 1205 N PRO A 74 -6.250 13.568 12.228 1.00 0.00 N ATOM 1206 CA PRO A 74 -4.965 14.349 12.205 1.00 0.00 C ATOM 1207 C PRO A 74 -3.675 13.490 12.343 1.00 0.00 C ATOM 1208 O PRO A 74 -3.689 12.403 12.916 1.00 0.00 O ATOM 1209 CB PRO A 74 -5.144 15.301 13.438 1.00 0.00 C ATOM 1210 CG PRO A 74 -6.679 15.406 13.577 1.00 0.00 C ATOM 1211 CD PRO A 74 -7.157 13.999 13.279 1.00 0.00 C ATOM 0 HA PRO A 74 -4.815 14.848 11.248 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.685 14.888 14.336 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.687 16.275 13.265 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -6.971 15.726 14.577 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.097 16.129 12.877 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.094 13.356 14.157 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.195 13.986 12.948 1.00 0.00 H new ATOM 1219 N PHE A 75 -2.531 13.993 11.886 1.00 0.00 N ATOM 1220 CA PHE A 75 -1.253 13.231 11.940 1.00 0.00 C ATOM 1221 C PHE A 75 -0.307 13.728 13.095 1.00 0.00 C ATOM 1222 O PHE A 75 -0.318 14.870 13.548 1.00 0.00 O ATOM 1223 CB PHE A 75 -0.533 13.321 10.580 1.00 0.00 C ATOM 1224 CG PHE A 75 -1.186 12.447 9.493 1.00 0.00 C ATOM 1225 CD1 PHE A 75 -0.923 11.086 9.443 1.00 0.00 C ATOM 1226 CD2 PHE A 75 -1.993 13.052 8.512 1.00 0.00 C ATOM 1227 CE1 PHE A 75 -1.590 10.312 8.490 1.00 0.00 C ATOM 1228 CE2 PHE A 75 -2.629 12.296 7.537 1.00 0.00 C ATOM 1229 CZ PHE A 75 -2.454 10.929 7.578 1.00 0.00 C ATOM 0 H PHE A 75 -2.446 14.921 11.472 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.499 12.191 12.156 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.525 14.359 10.247 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.507 13.019 10.705 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.218 10.635 10.126 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.120 14.124 8.518 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.440 9.243 8.457 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.238 12.761 6.775 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.003 10.312 6.882 1.00 0.00 H new ATOM 1239 N ASP A 76 0.537 12.718 13.445 1.00 0.00 N ATOM 1240 CA ASP A 76 1.593 12.878 14.493 1.00 0.00 C ATOM 1241 C ASP A 76 2.995 13.462 14.009 1.00 0.00 C ATOM 1242 O ASP A 76 3.709 13.976 14.850 1.00 0.00 O ATOM 1243 CB ASP A 76 1.878 11.460 15.079 1.00 0.00 C ATOM 1244 CG ASP A 76 2.585 10.335 14.280 1.00 0.00 C ATOM 1245 OD1 ASP A 76 2.535 10.114 13.066 1.00 0.00 O ATOM 1246 OD2 ASP A 76 3.321 9.613 15.161 1.00 0.00 O ATOM 0 H ASP A 76 0.510 11.790 13.022 1.00 0.00 H new ATOM 0 HA ASP A 76 1.193 13.607 15.198 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.468 11.613 15.983 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.915 11.057 15.392 1.00 0.00 H new ATOM 1252 N GLY A 77 3.372 13.289 12.724 1.00 0.00 N ATOM 1253 CA GLY A 77 4.708 13.744 12.248 1.00 0.00 C ATOM 1254 C GLY A 77 5.678 12.509 12.291 1.00 0.00 C ATOM 1255 O GLY A 77 5.264 11.521 11.649 1.00 0.00 O ATOM 0 H GLY A 77 2.792 12.850 12.009 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.638 14.140 11.235 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.085 14.548 12.879 1.00 0.00 H new ATOM 1259 N PRO A 78 6.819 12.431 12.965 1.00 0.00 N ATOM 1260 CA PRO A 78 7.631 11.190 13.070 1.00 0.00 C ATOM 1261 C PRO A 78 7.057 10.001 13.862 1.00 0.00 C ATOM 1262 O PRO A 78 6.366 10.145 14.908 1.00 0.00 O ATOM 1263 CB PRO A 78 8.959 11.676 13.702 1.00 0.00 C ATOM 1264 CG PRO A 78 8.913 13.194 13.624 1.00 0.00 C ATOM 1265 CD PRO A 78 7.437 13.550 13.718 1.00 0.00 C ATOM 0 HA PRO A 78 7.703 10.751 12.075 1.00 0.00 H new ATOM 0 HB2 PRO A 78 9.049 11.338 14.734 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.819 11.281 13.161 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.481 13.648 14.436 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.347 13.554 12.691 1.00 0.00 H new ATOM 0 HD2 PRO A 78 7.089 13.592 14.750 1.00 0.00 H new ATOM 0 HD3 PRO A 78 7.218 14.518 13.268 1.00 0.00 H new ATOM 1273 N GLY A 79 7.345 8.765 13.460 1.00 0.00 N ATOM 1274 CA GLY A 79 6.923 7.529 14.181 1.00 0.00 C ATOM 1275 C GLY A 79 5.401 7.084 14.120 1.00 0.00 C ATOM 1276 O GLY A 79 4.538 7.866 13.749 1.00 0.00 O ATOM 0 H GLY A 79 7.884 8.573 12.616 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.523 6.704 13.798 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.187 7.654 15.231 1.00 0.00 H new ATOM 1280 N ASN A 80 5.149 5.797 14.420 1.00 0.00 N ATOM 1281 CA ASN A 80 3.728 5.145 14.482 1.00 0.00 C ATOM 1282 C ASN A 80 2.904 5.135 13.134 1.00 0.00 C ATOM 1283 O ASN A 80 3.166 4.274 12.319 1.00 0.00 O ATOM 1284 CB ASN A 80 3.034 5.711 15.782 1.00 0.00 C ATOM 1285 CG ASN A 80 3.716 5.585 17.158 1.00 0.00 C ATOM 1286 OD1 ASN A 80 3.744 4.515 17.741 1.00 0.00 O ATOM 1287 ND2 ASN A 80 4.250 6.654 17.683 1.00 0.00 N ATOM 0 H ASN A 80 5.895 5.135 14.635 1.00 0.00 H new ATOM 0 HA ASN A 80 3.803 4.062 14.580 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.851 6.772 15.611 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.060 5.228 15.862 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.701 6.603 18.597 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.217 7.541 17.180 1.00 0.00 H new ATOM 1294 N VAL A 81 1.939 6.040 12.964 1.00 0.00 N ATOM 1295 CA VAL A 81 1.022 6.120 11.766 1.00 0.00 C ATOM 1296 C VAL A 81 1.834 6.304 10.426 1.00 0.00 C ATOM 1297 O VAL A 81 2.538 7.307 10.283 1.00 0.00 O ATOM 1298 CB VAL A 81 0.023 7.295 12.017 1.00 0.00 C ATOM 1299 CG1 VAL A 81 -0.946 7.453 10.864 1.00 0.00 C ATOM 1300 CG2 VAL A 81 -0.822 7.183 13.298 1.00 0.00 C ATOM 0 H VAL A 81 1.748 6.765 13.655 1.00 0.00 H new ATOM 0 HA VAL A 81 0.470 5.187 11.647 1.00 0.00 H new ATOM 0 HB VAL A 81 0.681 8.157 12.124 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.627 8.279 11.071 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.392 7.660 9.949 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.518 6.533 10.741 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.481 8.048 13.376 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.421 6.273 13.260 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.164 7.148 14.166 1.00 0.00 H new ATOM 1310 N LEU A 82 1.640 5.342 9.534 1.00 0.00 N ATOM 1311 CA LEU A 82 2.188 5.388 8.167 1.00 0.00 C ATOM 1312 C LEU A 82 1.164 6.286 7.416 1.00 0.00 C ATOM 1313 O LEU A 82 1.514 7.418 7.108 1.00 0.00 O ATOM 1314 CB LEU A 82 2.353 3.938 7.606 1.00 0.00 C ATOM 1315 CG LEU A 82 3.405 3.053 8.376 1.00 0.00 C ATOM 1316 CD1 LEU A 82 3.377 1.562 7.972 1.00 0.00 C ATOM 1317 CD2 LEU A 82 4.881 3.534 8.363 1.00 0.00 C ATOM 0 H LEU A 82 1.097 4.501 9.730 1.00 0.00 H new ATOM 0 HA LEU A 82 3.192 5.802 8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.385 3.438 7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.647 3.999 6.558 1.00 0.00 H new ATOM 0 HG LEU A 82 3.048 3.179 9.398 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.128 1.016 8.543 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.391 1.147 8.180 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.593 1.469 6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.497 2.835 8.929 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.239 3.583 7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.945 4.523 8.817 1.00 0.00 H new ATOM 1329 N ALA A 83 -0.110 5.966 7.230 1.00 0.00 N ATOM 1330 CA ALA A 83 -1.074 6.817 6.588 1.00 0.00 C ATOM 1331 C ALA A 83 -2.429 6.608 7.308 1.00 0.00 C ATOM 1332 O ALA A 83 -2.619 5.790 8.221 1.00 0.00 O ATOM 1333 CB ALA A 83 -1.331 6.172 5.232 1.00 0.00 C ATOM 0 H ALA A 83 -0.503 5.076 7.536 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.738 7.854 6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.059 6.765 4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.399 6.125 4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.719 5.164 5.376 1.00 0.00 H new ATOM 1339 N HIS A 84 -3.347 7.405 6.819 1.00 0.00 N ATOM 1340 CA HIS A 84 -4.752 6.941 6.974 1.00 0.00 C ATOM 1341 C HIS A 84 -4.749 6.307 5.491 1.00 0.00 C ATOM 1342 O HIS A 84 -4.543 6.884 4.330 1.00 0.00 O ATOM 1343 CB HIS A 84 -5.901 7.887 7.421 1.00 0.00 C ATOM 1344 CG HIS A 84 -5.819 9.365 7.128 1.00 0.00 C ATOM 1345 ND1 HIS A 84 -5.559 10.370 8.025 1.00 0.00 N ATOM 1346 CD2 HIS A 84 -6.403 9.934 6.003 1.00 0.00 C ATOM 1347 CE1 HIS A 84 -5.948 11.498 7.346 1.00 0.00 C ATOM 1348 NE2 HIS A 84 -6.540 11.357 6.138 1.00 0.00 N ATOM 0 H HIS A 84 -3.199 8.298 6.350 1.00 0.00 H new ATOM 0 HA HIS A 84 -4.995 6.322 7.838 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -6.820 7.517 6.967 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -6.011 7.776 8.500 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -5.172 10.297 8.966 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -6.716 9.375 5.134 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -5.785 12.479 7.768 1.00 0.00 H new ATOM 1356 N ALA A 85 -4.548 4.965 5.654 1.00 0.00 N ATOM 1357 CA ALA A 85 -4.355 4.017 4.559 1.00 0.00 C ATOM 1358 C ALA A 85 -5.893 3.591 4.322 1.00 0.00 C ATOM 1359 O ALA A 85 -6.299 2.693 5.073 1.00 0.00 O ATOM 1360 CB ALA A 85 -3.426 2.777 4.762 1.00 0.00 C ATOM 0 H ALA A 85 -4.518 4.524 6.573 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.804 4.475 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.402 2.186 3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.418 3.113 5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.809 2.165 5.579 1.00 0.00 H new ATOM 1366 N TYR A 86 -6.742 4.134 3.384 1.00 0.00 N ATOM 1367 CA TYR A 86 -8.189 3.689 3.456 1.00 0.00 C ATOM 1368 C TYR A 86 -8.633 2.513 2.496 1.00 0.00 C ATOM 1369 O TYR A 86 -8.396 2.602 1.278 1.00 0.00 O ATOM 1370 CB TYR A 86 -9.112 4.908 3.248 1.00 0.00 C ATOM 1371 CG TYR A 86 -9.093 6.066 4.244 1.00 0.00 C ATOM 1372 CD1 TYR A 86 -9.567 5.914 5.565 1.00 0.00 C ATOM 1373 CD2 TYR A 86 -8.939 7.353 3.763 1.00 0.00 C ATOM 1374 CE1 TYR A 86 -9.759 7.037 6.378 1.00 0.00 C ATOM 1375 CE2 TYR A 86 -9.136 8.463 4.605 1.00 0.00 C ATOM 1376 CZ TYR A 86 -9.613 8.292 5.879 1.00 0.00 C ATOM 1377 OH TYR A 86 -9.847 9.364 6.703 1.00 0.00 O ATOM 0 H TYR A 86 -6.497 4.800 2.651 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.285 3.259 4.453 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.883 5.323 2.266 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.135 4.535 3.206 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -9.782 4.928 5.950 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.665 7.508 2.730 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -10.027 6.904 7.416 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.910 9.456 4.245 1.00 0.00 H new ATOM 0 HH TYR A 86 -9.701 10.196 6.206 1.00 0.00 H new ATOM 1387 N ALA A 87 -9.343 1.558 3.162 1.00 0.00 N ATOM 1388 CA ALA A 87 -9.886 0.264 2.699 1.00 0.00 C ATOM 1389 C ALA A 87 -11.077 0.173 1.673 1.00 0.00 C ATOM 1390 O ALA A 87 -11.737 1.192 1.491 1.00 0.00 O ATOM 1391 CB ALA A 87 -10.343 -0.429 4.058 1.00 0.00 C ATOM 0 H ALA A 87 -9.569 1.701 4.146 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.096 -0.184 2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.768 -1.409 3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.481 -0.544 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.093 0.192 4.549 1.00 0.00 H new ATOM 1397 N PRO A 88 -11.522 -0.959 1.056 1.00 0.00 N ATOM 1398 CA PRO A 88 -12.584 -0.959 0.029 1.00 0.00 C ATOM 1399 C PRO A 88 -14.015 -0.315 0.428 1.00 0.00 C ATOM 1400 O PRO A 88 -14.643 -0.584 1.465 1.00 0.00 O ATOM 1401 CB PRO A 88 -12.604 -2.441 -0.359 1.00 0.00 C ATOM 1402 CG PRO A 88 -11.192 -2.964 -0.126 1.00 0.00 C ATOM 1403 CD PRO A 88 -10.834 -2.242 1.183 1.00 0.00 C ATOM 0 HA PRO A 88 -12.371 -0.278 -0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -13.327 -2.991 0.244 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.898 -2.566 -1.401 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -11.164 -4.049 -0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -10.515 -2.705 -0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.176 -2.798 2.056 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.757 -2.112 1.290 1.00 0.00 H new ATOM 1411 N GLY A 89 -14.519 0.440 -0.538 1.00 0.00 N ATOM 1412 CA GLY A 89 -15.772 1.138 -0.378 1.00 0.00 C ATOM 1413 C GLY A 89 -15.883 2.423 -1.254 1.00 0.00 C ATOM 1414 O GLY A 89 -15.077 2.687 -2.162 1.00 0.00 O ATOM 0 H GLY A 89 -14.071 0.581 -1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -16.590 0.463 -0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -15.896 1.410 0.670 1.00 0.00 H new ATOM 1418 N PRO A 90 -16.837 3.351 -1.002 1.00 0.00 N ATOM 1419 CA PRO A 90 -17.010 4.582 -1.822 1.00 0.00 C ATOM 1420 C PRO A 90 -16.212 5.854 -1.364 1.00 0.00 C ATOM 1421 O PRO A 90 -16.291 6.296 -0.212 1.00 0.00 O ATOM 1422 CB PRO A 90 -18.532 4.744 -1.766 1.00 0.00 C ATOM 1423 CG PRO A 90 -18.902 4.196 -0.374 1.00 0.00 C ATOM 1424 CD PRO A 90 -17.872 3.174 -0.006 1.00 0.00 C ATOM 0 HA PRO A 90 -16.590 4.480 -2.823 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -18.829 5.787 -1.879 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -19.025 4.185 -2.561 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -18.924 5.000 0.361 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -19.897 3.750 -0.389 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -17.489 3.337 1.002 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -18.283 2.165 -0.032 1.00 0.00 H new ATOM 1432 N GLY A 91 -15.572 6.586 -2.319 1.00 0.00 N ATOM 1433 CA GLY A 91 -14.823 7.816 -2.039 1.00 0.00 C ATOM 1434 C GLY A 91 -13.619 7.733 -1.025 1.00 0.00 C ATOM 1435 O GLY A 91 -12.488 7.380 -1.346 1.00 0.00 O ATOM 0 H GLY A 91 -15.570 6.326 -3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.437 8.195 -2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -15.527 8.558 -1.662 1.00 0.00 H new ATOM 1439 N ILE A 92 -13.868 8.208 0.195 1.00 0.00 N ATOM 1440 CA ILE A 92 -12.837 8.138 1.318 1.00 0.00 C ATOM 1441 C ILE A 92 -12.323 6.616 1.538 1.00 0.00 C ATOM 1442 O ILE A 92 -11.128 6.435 1.847 1.00 0.00 O ATOM 1443 CB ILE A 92 -13.213 8.768 2.719 1.00 0.00 C ATOM 1444 CG1 ILE A 92 -14.147 7.998 3.659 1.00 0.00 C ATOM 1445 CG2 ILE A 92 -13.655 10.230 2.591 1.00 0.00 C ATOM 1446 CD1 ILE A 92 -15.499 7.494 3.143 1.00 0.00 C ATOM 0 H ILE A 92 -14.750 8.645 0.463 1.00 0.00 H new ATOM 0 HA ILE A 92 -12.050 8.791 0.941 1.00 0.00 H new ATOM 0 HB ILE A 92 -12.256 8.691 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -13.596 7.133 4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -14.345 8.639 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -13.904 10.623 3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -12.845 10.819 2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -14.531 10.290 1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -16.023 6.973 3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -16.099 8.340 2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -15.338 6.810 2.310 1.00 0.00 H new ATOM 1458 N ASN A 93 -13.156 5.567 1.420 1.00 0.00 N ATOM 1459 CA ASN A 93 -12.711 4.134 1.503 1.00 0.00 C ATOM 1460 C ASN A 93 -12.009 3.703 0.138 1.00 0.00 C ATOM 1461 O ASN A 93 -12.570 4.004 -0.906 1.00 0.00 O ATOM 1462 CB ASN A 93 -14.012 3.339 1.804 1.00 0.00 C ATOM 1463 CG ASN A 93 -14.318 3.228 3.278 1.00 0.00 C ATOM 1464 OD1 ASN A 93 -15.251 3.876 3.764 1.00 0.00 O ATOM 1465 ND2 ASN A 93 -13.806 2.195 3.924 1.00 0.00 N ATOM 0 H ASN A 93 -14.159 5.671 1.264 1.00 0.00 H new ATOM 0 HA ASN A 93 -11.965 3.949 2.276 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.850 3.823 1.302 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.923 2.338 1.382 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -14.181 1.925 4.833 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.036 1.667 3.513 1.00 0.00 H new ATOM 1472 N GLY A 94 -10.686 3.423 0.043 1.00 0.00 N ATOM 1473 CA GLY A 94 -10.030 2.954 -1.268 1.00 0.00 C ATOM 1474 C GLY A 94 -8.531 3.135 -1.533 1.00 0.00 C ATOM 1475 O GLY A 94 -7.907 2.571 -2.485 1.00 0.00 O ATOM 0 H GLY A 94 -10.037 3.502 0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.240 1.889 -1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.556 3.455 -2.080 1.00 0.00 H new ATOM 1479 N ASP A 95 -8.387 4.426 -1.274 1.00 0.00 N ATOM 1480 CA ASP A 95 -7.261 5.339 -1.510 1.00 0.00 C ATOM 1481 C ASP A 95 -6.560 5.705 -0.210 1.00 0.00 C ATOM 1482 O ASP A 95 -7.270 5.731 0.831 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.949 6.741 -1.822 1.00 0.00 C ATOM 1484 CG ASP A 95 -8.979 6.875 -2.930 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -9.042 6.131 -3.908 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -9.820 7.965 -2.798 1.00 0.00 O ATOM 0 HA ASP A 95 -6.596 4.889 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.425 7.075 -0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.149 7.448 -2.042 1.00 0.00 H new ATOM 1492 N ALA A 96 -5.235 5.978 -0.423 1.00 0.00 N ATOM 1493 CA ALA A 96 -4.267 6.432 0.595 1.00 0.00 C ATOM 1494 C ALA A 96 -4.176 7.976 0.797 1.00 0.00 C ATOM 1495 O ALA A 96 -4.803 8.699 0.072 1.00 0.00 O ATOM 1496 CB ALA A 96 -2.975 5.583 0.365 1.00 0.00 C ATOM 0 H ALA A 96 -4.810 5.880 -1.345 1.00 0.00 H new ATOM 0 HA ALA A 96 -4.597 6.231 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.215 5.873 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.208 4.525 0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -2.599 5.758 -0.643 1.00 0.00 H new ATOM 1502 N HIS A 97 -3.518 8.296 1.924 1.00 0.00 N ATOM 1503 CA HIS A 97 -3.295 9.628 2.553 1.00 0.00 C ATOM 1504 C HIS A 97 -2.132 9.447 3.605 1.00 0.00 C ATOM 1505 O HIS A 97 -2.409 9.211 4.763 1.00 0.00 O ATOM 1506 CB HIS A 97 -4.608 10.151 3.195 1.00 0.00 C ATOM 1507 CG HIS A 97 -5.707 10.621 2.207 1.00 0.00 C ATOM 1508 ND1 HIS A 97 -5.657 11.791 1.362 1.00 0.00 N flip ATOM 1509 CD2 HIS A 97 -6.958 10.042 2.061 1.00 0.00 C flip ATOM 1510 CE1 HIS A 97 -6.891 12.041 0.767 1.00 0.00 C flip ATOM 1511 NE2 HIS A 97 -7.513 10.917 1.194 1.00 0.00 N flip ATOM 0 H HIS A 97 -3.081 7.561 2.480 1.00 0.00 H new ATOM 0 HA HIS A 97 -3.006 10.379 1.818 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.023 9.361 3.820 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -4.360 10.983 3.855 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.370 9.150 2.510 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.239 12.865 0.161 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -8.450 10.720 0.843 1.00 0.00 H new ATOM 1519 N PHE A 98 -0.840 9.660 3.266 1.00 0.00 N ATOM 1520 CA PHE A 98 0.302 9.629 4.187 1.00 0.00 C ATOM 1521 C PHE A 98 0.300 10.897 5.061 1.00 0.00 C ATOM 1522 O PHE A 98 -0.494 11.842 4.979 1.00 0.00 O ATOM 1523 CB PHE A 98 1.548 9.718 3.241 1.00 0.00 C ATOM 1524 CG PHE A 98 2.242 8.379 2.914 1.00 0.00 C ATOM 1525 CD1 PHE A 98 2.886 7.627 3.876 1.00 0.00 C ATOM 1526 CD2 PHE A 98 2.341 7.973 1.585 1.00 0.00 C ATOM 1527 CE1 PHE A 98 3.587 6.452 3.519 1.00 0.00 C ATOM 1528 CE2 PHE A 98 3.086 6.882 1.232 1.00 0.00 C ATOM 1529 CZ PHE A 98 3.690 6.128 2.176 1.00 0.00 C ATOM 0 H PHE A 98 -0.562 9.865 2.306 1.00 0.00 H new ATOM 0 HA PHE A 98 0.287 8.751 4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.237 10.182 2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 98 2.281 10.383 3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.854 7.939 4.910 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.820 8.530 0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.032 5.822 4.275 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.192 6.621 0.189 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.261 5.261 1.880 1.00 0.00 H new ATOM 1539 N ASP A 99 1.152 10.815 6.043 1.00 0.00 N ATOM 1540 CA ASP A 99 1.490 11.959 6.857 1.00 0.00 C ATOM 1541 C ASP A 99 2.684 12.650 6.062 1.00 0.00 C ATOM 1542 O ASP A 99 3.278 12.039 5.160 1.00 0.00 O ATOM 1543 CB ASP A 99 2.131 11.309 8.110 1.00 0.00 C ATOM 1544 CG ASP A 99 2.623 12.038 9.354 1.00 0.00 C ATOM 1545 OD1 ASP A 99 2.585 13.222 9.551 1.00 0.00 O ATOM 1546 OD2 ASP A 99 3.195 11.112 10.120 1.00 0.00 O ATOM 0 H ASP A 99 1.634 9.956 6.306 1.00 0.00 H new ATOM 0 HA ASP A 99 0.672 12.643 7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 99 1.403 10.581 8.467 1.00 0.00 H new ATOM 0 HB3 ASP A 99 2.989 10.747 7.741 1.00 0.00 H new ATOM 1552 N ASP A 100 3.242 13.794 6.525 1.00 0.00 N ATOM 1553 CA ASP A 100 4.687 14.162 6.141 1.00 0.00 C ATOM 1554 C ASP A 100 5.328 13.134 7.147 1.00 0.00 C ATOM 1555 O ASP A 100 6.042 13.474 8.098 1.00 0.00 O ATOM 1556 CB ASP A 100 5.122 15.631 6.225 1.00 0.00 C ATOM 1557 CG ASP A 100 6.563 15.809 5.756 1.00 0.00 C ATOM 1558 OD1 ASP A 100 7.281 14.892 5.373 1.00 0.00 O ATOM 1559 OD2 ASP A 100 6.927 17.117 5.634 1.00 0.00 O ATOM 0 H ASP A 100 2.772 14.465 7.132 1.00 0.00 H new ATOM 0 HA ASP A 100 4.963 14.089 5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.460 16.244 5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.025 15.983 7.252 1.00 0.00 H new ATOM 1565 N ASP A 101 5.420 11.910 6.623 1.00 0.00 N ATOM 1566 CA ASP A 101 5.697 10.738 7.431 1.00 0.00 C ATOM 1567 C ASP A 101 7.140 10.454 7.834 1.00 0.00 C ATOM 1568 O ASP A 101 7.560 10.889 8.877 1.00 0.00 O ATOM 1569 CB ASP A 101 4.845 9.566 6.718 1.00 0.00 C ATOM 1570 CG ASP A 101 4.584 8.361 7.608 1.00 0.00 C ATOM 1571 OD1 ASP A 101 4.999 7.245 7.385 1.00 0.00 O ATOM 1572 OD2 ASP A 101 3.802 8.780 8.634 1.00 0.00 O ATOM 0 H ASP A 101 5.304 11.712 5.629 1.00 0.00 H new ATOM 0 HA ASP A 101 5.377 10.884 8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 101 3.890 9.975 6.388 1.00 0.00 H new ATOM 0 HB3 ASP A 101 5.376 9.237 5.825 1.00 0.00 H new ATOM 1578 N GLU A 102 7.854 9.693 7.035 1.00 0.00 N ATOM 1579 CA GLU A 102 9.217 9.308 7.377 1.00 0.00 C ATOM 1580 C GLU A 102 10.255 9.752 6.276 1.00 0.00 C ATOM 1581 O GLU A 102 9.923 10.425 5.313 1.00 0.00 O ATOM 1582 CB GLU A 102 9.196 7.764 7.747 1.00 0.00 C ATOM 1583 CG GLU A 102 8.193 7.161 8.792 1.00 0.00 C ATOM 1584 CD GLU A 102 7.899 8.021 10.024 1.00 0.00 C ATOM 1585 OE1 GLU A 102 8.731 8.488 10.798 1.00 0.00 O ATOM 1586 OE2 GLU A 102 6.580 8.337 10.131 1.00 0.00 O ATOM 0 H GLU A 102 7.520 9.326 6.144 1.00 0.00 H new ATOM 0 HA GLU A 102 9.581 9.843 8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.038 7.222 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.198 7.513 8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.250 6.958 8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.586 6.202 9.130 1.00 0.00 H new ATOM 1594 N GLN A 103 11.511 9.407 6.541 1.00 0.00 N ATOM 1595 CA GLN A 103 12.636 9.720 5.581 1.00 0.00 C ATOM 1596 C GLN A 103 12.696 8.472 4.613 1.00 0.00 C ATOM 1597 O GLN A 103 13.401 7.477 4.806 1.00 0.00 O ATOM 1598 CB GLN A 103 13.943 9.961 6.404 1.00 0.00 C ATOM 1599 CG GLN A 103 15.278 10.159 5.584 1.00 0.00 C ATOM 1600 CD GLN A 103 15.195 11.280 4.499 1.00 0.00 C ATOM 1601 OE1 GLN A 103 15.262 11.129 3.301 1.00 0.00 O ATOM 1602 NE2 GLN A 103 15.035 12.532 4.855 1.00 0.00 N ATOM 0 H GLN A 103 11.802 8.919 7.388 1.00 0.00 H new ATOM 0 HA GLN A 103 12.496 10.626 4.991 1.00 0.00 H new ATOM 0 HB2 GLN A 103 13.794 10.843 7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 103 14.081 9.115 7.077 1.00 0.00 H new ATOM 0 HG2 GLN A 103 16.086 10.396 6.276 1.00 0.00 H new ATOM 0 HG3 GLN A 103 15.539 9.218 5.100 1.00 0.00 H new ATOM 0 HE21 GLN A 103 14.966 12.776 5.843 1.00 0.00 H new ATOM 0 HE22 GLN A 103 14.980 13.261 4.144 1.00 0.00 H new ATOM 1611 N TRP A 104 11.932 8.652 3.465 1.00 0.00 N ATOM 1612 CA TRP A 104 11.798 7.587 2.477 1.00 0.00 C ATOM 1613 C TRP A 104 13.088 7.150 1.769 1.00 0.00 C ATOM 1614 O TRP A 104 13.837 7.889 1.162 1.00 0.00 O ATOM 1615 CB TRP A 104 10.593 7.899 1.540 1.00 0.00 C ATOM 1616 CG TRP A 104 9.220 7.917 2.229 1.00 0.00 C ATOM 1617 CD1 TRP A 104 8.509 9.117 2.574 1.00 0.00 C ATOM 1618 CD2 TRP A 104 8.582 6.913 2.982 1.00 0.00 C ATOM 1619 NE1 TRP A 104 7.446 8.910 3.472 1.00 0.00 N ATOM 1620 CE2 TRP A 104 7.520 7.545 3.725 1.00 0.00 C ATOM 1621 CE3 TRP A 104 8.940 5.582 3.246 1.00 0.00 C ATOM 1622 CZ2 TRP A 104 6.863 6.874 4.785 1.00 0.00 C ATOM 1623 CZ3 TRP A 104 8.160 4.881 4.170 1.00 0.00 C ATOM 1624 CH2 TRP A 104 7.172 5.500 4.919 1.00 0.00 C ATOM 0 H TRP A 104 11.428 9.510 3.239 1.00 0.00 H new ATOM 0 HA TRP A 104 11.573 6.671 3.024 1.00 0.00 H new ATOM 0 HB2 TRP A 104 10.759 8.868 1.070 1.00 0.00 H new ATOM 0 HB3 TRP A 104 10.572 7.157 0.742 1.00 0.00 H new ATOM 0 HD1 TRP A 104 8.767 10.089 2.180 1.00 0.00 H new ATOM 0 HE1 TRP A 104 6.785 9.592 3.845 1.00 0.00 H new ATOM 0 HE3 TRP A 104 9.783 5.119 2.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 6.173 7.377 5.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 8.333 3.823 4.304 1.00 0.00 H new ATOM 0 HH2 TRP A 104 6.616 4.910 5.633 1.00 0.00 H new ATOM 1635 N THR A 105 13.334 5.830 1.768 1.00 0.00 N ATOM 1636 CA THR A 105 14.494 5.172 1.172 1.00 0.00 C ATOM 1637 C THR A 105 14.043 3.891 0.384 1.00 0.00 C ATOM 1638 O THR A 105 13.051 3.201 0.686 1.00 0.00 O ATOM 1639 CB THR A 105 15.618 4.745 2.207 1.00 0.00 C ATOM 1640 OG1 THR A 105 15.081 3.973 3.287 1.00 0.00 O ATOM 1641 CG2 THR A 105 16.423 5.952 2.762 1.00 0.00 C ATOM 0 H THR A 105 12.695 5.166 2.205 1.00 0.00 H new ATOM 0 HA THR A 105 14.934 5.921 0.513 1.00 0.00 H new ATOM 0 HB THR A 105 16.312 4.122 1.643 1.00 0.00 H new ATOM 0 HG1 THR A 105 15.414 3.053 3.229 1.00 0.00 H new ATOM 0 HG21 THR A 105 17.176 5.595 3.464 1.00 0.00 H new ATOM 0 HG22 THR A 105 16.912 6.472 1.939 1.00 0.00 H new ATOM 0 HG23 THR A 105 15.746 6.637 3.273 1.00 0.00 H new ATOM 1649 N LYS A 106 14.876 3.610 -0.612 1.00 0.00 N ATOM 1650 CA LYS A 106 14.882 2.429 -1.483 1.00 0.00 C ATOM 1651 C LYS A 106 15.369 1.121 -0.655 1.00 0.00 C ATOM 1652 O LYS A 106 14.920 -0.006 -0.854 1.00 0.00 O ATOM 1653 CB LYS A 106 15.752 2.923 -2.695 1.00 0.00 C ATOM 1654 CG LYS A 106 17.205 3.440 -2.421 1.00 0.00 C ATOM 1655 CD LYS A 106 17.272 4.985 -2.140 1.00 0.00 C ATOM 1656 CE LYS A 106 17.704 5.396 -0.683 1.00 0.00 C ATOM 1657 NZ LYS A 106 19.099 5.195 -0.355 1.00 0.00 N ATOM 0 H LYS A 106 15.629 4.253 -0.855 1.00 0.00 H new ATOM 0 HA LYS A 106 13.922 2.075 -1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 106 15.823 2.101 -3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 106 15.204 3.725 -3.189 1.00 0.00 H new ATOM 0 HG2 LYS A 106 17.619 2.904 -1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 106 17.834 3.206 -3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 106 17.970 5.434 -2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 106 16.291 5.415 -2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 106 17.465 6.450 -0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 106 17.099 4.832 0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 19.428 5.972 0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 19.211 4.291 0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 19.662 5.177 -1.229 1.00 0.00 H new ATOM 1670 N ASP A 107 16.321 1.340 0.228 1.00 0.00 N ATOM 1671 CA ASP A 107 16.899 0.328 1.177 1.00 0.00 C ATOM 1672 C ASP A 107 16.319 0.553 2.662 1.00 0.00 C ATOM 1673 O ASP A 107 15.560 1.499 2.906 1.00 0.00 O ATOM 1674 CB ASP A 107 18.433 0.381 1.016 1.00 0.00 C ATOM 1675 CG ASP A 107 19.244 1.517 1.651 1.00 0.00 C ATOM 1676 OD1 ASP A 107 19.445 2.569 1.108 1.00 0.00 O ATOM 1677 OD2 ASP A 107 19.566 1.260 2.958 1.00 0.00 O ATOM 0 H ASP A 107 16.752 2.258 0.333 1.00 0.00 H new ATOM 0 HA ASP A 107 16.598 -0.695 0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 107 18.830 -0.555 1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 107 18.644 0.394 -0.053 1.00 0.00 H new ATOM 1683 N THR A 108 16.686 -0.302 3.631 1.00 0.00 N ATOM 1684 CA THR A 108 16.201 -0.183 5.034 1.00 0.00 C ATOM 1685 C THR A 108 16.834 0.926 5.898 1.00 0.00 C ATOM 1686 O THR A 108 16.269 1.269 6.913 1.00 0.00 O ATOM 1687 CB THR A 108 16.369 -1.618 5.632 1.00 0.00 C ATOM 1688 OG1 THR A 108 15.662 -2.590 4.859 1.00 0.00 O ATOM 1689 CG2 THR A 108 15.877 -1.856 7.101 1.00 0.00 C ATOM 0 H THR A 108 17.318 -1.088 3.477 1.00 0.00 H new ATOM 0 HA THR A 108 15.166 0.158 5.033 1.00 0.00 H new ATOM 0 HB THR A 108 17.454 -1.720 5.616 1.00 0.00 H new ATOM 0 HG1 THR A 108 15.878 -3.488 5.186 1.00 0.00 H new ATOM 0 HG21 THR A 108 16.056 -2.894 7.381 1.00 0.00 H new ATOM 0 HG22 THR A 108 16.422 -1.198 7.778 1.00 0.00 H new ATOM 0 HG23 THR A 108 14.810 -1.642 7.167 1.00 0.00 H new ATOM 1697 N THR A 109 18.017 1.488 5.563 1.00 0.00 N ATOM 1698 CA THR A 109 18.736 2.595 6.301 1.00 0.00 C ATOM 1699 C THR A 109 17.833 3.755 6.812 1.00 0.00 C ATOM 1700 O THR A 109 17.830 4.082 7.998 1.00 0.00 O ATOM 1701 CB THR A 109 19.979 3.161 5.531 1.00 0.00 C ATOM 1702 OG1 THR A 109 19.726 3.555 4.183 1.00 0.00 O ATOM 1703 CG2 THR A 109 21.110 2.173 5.509 1.00 0.00 C ATOM 0 H THR A 109 18.534 1.182 4.738 1.00 0.00 H new ATOM 0 HA THR A 109 19.096 2.082 7.193 1.00 0.00 H new ATOM 0 HB THR A 109 20.241 4.056 6.095 1.00 0.00 H new ATOM 0 HG1 THR A 109 20.018 2.845 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 109 21.955 2.599 4.967 1.00 0.00 H new ATOM 0 HG22 THR A 109 21.413 1.944 6.531 1.00 0.00 H new ATOM 0 HG23 THR A 109 20.785 1.258 5.013 1.00 0.00 H new ATOM 1711 N GLY A 110 17.054 4.398 5.930 1.00 0.00 N ATOM 1712 CA GLY A 110 16.141 5.454 6.310 1.00 0.00 C ATOM 1713 C GLY A 110 14.732 5.005 6.661 1.00 0.00 C ATOM 1714 O GLY A 110 14.312 5.023 7.785 1.00 0.00 O ATOM 0 H GLY A 110 17.049 4.190 4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 110 16.560 5.982 7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.082 6.172 5.492 1.00 0.00 H new ATOM 1718 N THR A 111 13.936 4.605 5.652 1.00 0.00 N ATOM 1719 CA THR A 111 12.603 3.980 5.837 1.00 0.00 C ATOM 1720 C THR A 111 12.182 3.321 4.496 1.00 0.00 C ATOM 1721 O THR A 111 12.100 4.065 3.502 1.00 0.00 O ATOM 1722 CB THR A 111 11.493 4.920 6.344 1.00 0.00 C ATOM 1723 OG1 THR A 111 11.939 5.611 7.477 1.00 0.00 O ATOM 1724 CG2 THR A 111 10.218 4.194 6.845 1.00 0.00 C ATOM 0 H THR A 111 14.199 4.706 4.672 1.00 0.00 H new ATOM 0 HA THR A 111 12.716 3.246 6.635 1.00 0.00 H new ATOM 0 HB THR A 111 11.261 5.547 5.483 1.00 0.00 H new ATOM 0 HG1 THR A 111 12.647 5.096 7.917 1.00 0.00 H new ATOM 0 HG21 THR A 111 9.489 4.930 7.183 1.00 0.00 H new ATOM 0 HG22 THR A 111 9.790 3.607 6.032 1.00 0.00 H new ATOM 0 HG23 THR A 111 10.477 3.533 7.672 1.00 0.00 H new ATOM 1732 N ASN A 112 12.104 1.993 4.416 1.00 0.00 N ATOM 1733 CA ASN A 112 11.818 1.302 3.150 1.00 0.00 C ATOM 1734 C ASN A 112 10.396 1.533 2.593 1.00 0.00 C ATOM 1735 O ASN A 112 9.420 1.149 3.211 1.00 0.00 O ATOM 1736 CB ASN A 112 12.182 -0.183 3.377 1.00 0.00 C ATOM 1737 CG ASN A 112 11.993 -1.059 2.117 1.00 0.00 C ATOM 1738 OD1 ASN A 112 11.124 -1.915 2.033 1.00 0.00 O ATOM 1739 ND2 ASN A 112 12.716 -0.815 1.071 1.00 0.00 N ATOM 0 H ASN A 112 12.235 1.369 5.212 1.00 0.00 H new ATOM 0 HA ASN A 112 12.425 1.724 2.349 1.00 0.00 H new ATOM 0 HB2 ASN A 112 13.219 -0.249 3.705 1.00 0.00 H new ATOM 0 HB3 ASN A 112 11.567 -0.581 4.184 1.00 0.00 H new ATOM 0 HD21 ASN A 112 12.553 -1.331 0.207 1.00 0.00 H new ATOM 0 HD22 ASN A 112 13.448 -0.106 1.111 1.00 0.00 H new ATOM 1746 N LEU A 113 10.353 2.180 1.411 1.00 0.00 N ATOM 1747 CA LEU A 113 9.063 2.409 0.702 1.00 0.00 C ATOM 1748 C LEU A 113 8.372 1.152 0.145 1.00 0.00 C ATOM 1749 O LEU A 113 7.153 1.187 0.142 1.00 0.00 O ATOM 1750 CB LEU A 113 9.149 3.620 -0.255 1.00 0.00 C ATOM 1751 CG LEU A 113 7.855 4.117 -0.936 1.00 0.00 C ATOM 1752 CD1 LEU A 113 6.700 4.548 -0.015 1.00 0.00 C ATOM 1753 CD2 LEU A 113 8.105 5.197 -1.991 1.00 0.00 C ATOM 0 H LEU A 113 11.173 2.549 0.930 1.00 0.00 H new ATOM 0 HA LEU A 113 8.344 2.694 1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.570 4.455 0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.862 3.371 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 113 7.510 3.202 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.854 4.874 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.397 3.706 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.029 5.370 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.156 5.502 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.582 6.058 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.755 4.800 -2.771 1.00 0.00 H new ATOM 1765 N PHE A 114 9.081 0.083 -0.238 1.00 0.00 N ATOM 1766 CA PHE A 114 8.477 -1.240 -0.654 1.00 0.00 C ATOM 1767 C PHE A 114 7.540 -1.844 0.415 1.00 0.00 C ATOM 1768 O PHE A 114 6.344 -2.050 0.198 1.00 0.00 O ATOM 1769 CB PHE A 114 9.636 -2.243 -0.975 1.00 0.00 C ATOM 1770 CG PHE A 114 9.355 -3.544 -1.732 1.00 0.00 C ATOM 1771 CD1 PHE A 114 8.086 -3.894 -2.221 1.00 0.00 C ATOM 1772 CD2 PHE A 114 10.449 -4.349 -1.967 1.00 0.00 C ATOM 1773 CE1 PHE A 114 7.893 -5.165 -2.784 1.00 0.00 C ATOM 1774 CE2 PHE A 114 10.247 -5.590 -2.568 1.00 0.00 C ATOM 1775 CZ PHE A 114 9.003 -6.014 -2.950 1.00 0.00 C ATOM 0 H PHE A 114 10.100 0.087 -0.277 1.00 0.00 H new ATOM 0 HA PHE A 114 7.861 -1.059 -1.535 1.00 0.00 H new ATOM 0 HB2 PHE A 114 10.386 -1.695 -1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 114 10.096 -2.517 -0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 114 7.267 -3.192 -2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 114 11.442 -4.025 -1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 114 6.907 -5.487 -3.085 1.00 0.00 H new ATOM 0 HE2 PHE A 114 11.096 -6.235 -2.737 1.00 0.00 H new ATOM 0 HZ PHE A 114 8.874 -6.997 -3.378 1.00 0.00 H new ATOM 1785 N LEU A 115 8.157 -2.124 1.607 1.00 0.00 N ATOM 1786 CA LEU A 115 7.443 -2.673 2.810 1.00 0.00 C ATOM 1787 C LEU A 115 6.151 -1.845 3.133 1.00 0.00 C ATOM 1788 O LEU A 115 5.064 -2.413 3.171 1.00 0.00 O ATOM 1789 CB LEU A 115 8.437 -2.602 3.948 1.00 0.00 C ATOM 1790 CG LEU A 115 9.313 -3.878 4.031 1.00 0.00 C ATOM 1791 CD1 LEU A 115 10.492 -3.684 5.003 1.00 0.00 C ATOM 1792 CD2 LEU A 115 8.500 -5.054 4.582 1.00 0.00 C ATOM 0 H LEU A 115 9.155 -1.977 1.761 1.00 0.00 H new ATOM 0 HA LEU A 115 7.108 -3.696 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.078 -1.730 3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.903 -2.466 4.889 1.00 0.00 H new ATOM 0 HG LEU A 115 9.669 -4.074 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.088 -4.596 5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 115 11.114 -2.858 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.110 -3.461 5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.132 -5.941 4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 115 8.137 -4.809 5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.652 -5.250 3.925 1.00 0.00 H new ATOM 1804 N VAL A 116 6.268 -0.523 3.345 1.00 0.00 N ATOM 1805 CA VAL A 116 5.170 0.414 3.620 1.00 0.00 C ATOM 1806 C VAL A 116 4.131 0.498 2.452 1.00 0.00 C ATOM 1807 O VAL A 116 2.955 0.336 2.814 1.00 0.00 O ATOM 1808 CB VAL A 116 5.711 1.778 4.193 1.00 0.00 C ATOM 1809 CG1 VAL A 116 4.621 2.869 4.396 1.00 0.00 C ATOM 1810 CG2 VAL A 116 6.538 1.600 5.490 1.00 0.00 C ATOM 0 H VAL A 116 7.176 -0.058 3.328 1.00 0.00 H new ATOM 0 HA VAL A 116 4.562 0.013 4.431 1.00 0.00 H new ATOM 0 HB VAL A 116 6.374 2.141 3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.081 3.774 4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.147 3.092 3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.869 2.506 5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.884 2.574 5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.916 1.141 6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.397 0.960 5.289 1.00 0.00 H new ATOM 1820 N ALA A 117 4.507 0.640 1.174 1.00 0.00 N ATOM 1821 CA ALA A 117 3.551 0.616 0.025 1.00 0.00 C ATOM 1822 C ALA A 117 2.828 -0.750 -0.054 1.00 0.00 C ATOM 1823 O ALA A 117 1.601 -0.705 -0.277 1.00 0.00 O ATOM 1824 CB ALA A 117 4.330 0.884 -1.280 1.00 0.00 C ATOM 0 H ALA A 117 5.478 0.775 0.893 1.00 0.00 H new ATOM 0 HA ALA A 117 2.796 1.389 0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.641 0.869 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.812 1.860 -1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 117 5.088 0.113 -1.416 1.00 0.00 H new ATOM 1830 N ALA A 118 3.459 -1.961 0.000 1.00 0.00 N ATOM 1831 CA ALA A 118 2.752 -3.252 -0.020 1.00 0.00 C ATOM 1832 C ALA A 118 1.774 -3.414 1.230 1.00 0.00 C ATOM 1833 O ALA A 118 0.619 -3.872 0.985 1.00 0.00 O ATOM 1834 CB ALA A 118 3.831 -4.354 -0.098 1.00 0.00 C ATOM 0 H ALA A 118 4.473 -2.055 0.058 1.00 0.00 H new ATOM 0 HA ALA A 118 2.095 -3.324 -0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.351 -5.333 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.420 -4.223 -1.006 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.484 -4.286 0.772 1.00 0.00 H new ATOM 1840 N HIS A 119 2.086 -2.962 2.443 1.00 0.00 N ATOM 1841 CA HIS A 119 1.194 -3.036 3.644 1.00 0.00 C ATOM 1842 C HIS A 119 0.008 -1.984 3.614 1.00 0.00 C ATOM 1843 O HIS A 119 -1.155 -2.368 3.804 1.00 0.00 O ATOM 1844 CB HIS A 119 2.230 -2.873 4.798 1.00 0.00 C ATOM 1845 CG HIS A 119 1.686 -2.792 6.217 1.00 0.00 C ATOM 1846 ND1 HIS A 119 1.372 -3.870 7.058 1.00 0.00 N ATOM 1847 CD2 HIS A 119 1.379 -1.561 6.841 1.00 0.00 C ATOM 1848 CE1 HIS A 119 1.003 -3.162 8.174 1.00 0.00 C ATOM 1849 NE2 HIS A 119 0.994 -1.772 8.150 1.00 0.00 N ATOM 0 H HIS A 119 2.983 -2.520 2.644 1.00 0.00 H new ATOM 0 HA HIS A 119 0.617 -3.957 3.735 1.00 0.00 H new ATOM 0 HB2 HIS A 119 2.924 -3.712 4.750 1.00 0.00 H new ATOM 0 HB3 HIS A 119 2.809 -1.970 4.607 1.00 0.00 H new ATOM 0 HD2 HIS A 119 1.437 -0.595 6.362 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.719 -3.686 9.074 1.00 0.00 H new ATOM 0 HE2 HIS A 119 0.768 -1.103 8.886 1.00 0.00 H new ATOM 1857 N GLU A 120 0.297 -0.689 3.342 1.00 0.00 N ATOM 1858 CA GLU A 120 -0.798 0.325 3.200 1.00 0.00 C ATOM 1859 C GLU A 120 -1.678 0.121 1.932 1.00 0.00 C ATOM 1860 O GLU A 120 -2.878 0.301 2.074 1.00 0.00 O ATOM 1861 CB GLU A 120 -0.174 1.742 3.345 1.00 0.00 C ATOM 1862 CG GLU A 120 0.480 2.153 4.702 1.00 0.00 C ATOM 1863 CD GLU A 120 -0.331 1.895 5.987 1.00 0.00 C ATOM 1864 OE1 GLU A 120 -0.595 0.808 6.448 1.00 0.00 O ATOM 1865 OE2 GLU A 120 -0.637 3.006 6.679 1.00 0.00 O ATOM 0 H GLU A 120 1.241 -0.322 3.219 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.524 0.192 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.586 1.846 2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.956 2.469 3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.430 1.626 4.792 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.710 3.218 4.657 1.00 0.00 H new ATOM 1873 N ILE A 121 -1.115 -0.211 0.736 1.00 0.00 N ATOM 1874 CA ILE A 121 -1.977 -0.619 -0.413 1.00 0.00 C ATOM 1875 C ILE A 121 -2.798 -1.954 0.000 1.00 0.00 C ATOM 1876 O ILE A 121 -3.953 -2.062 -0.358 1.00 0.00 O ATOM 1877 CB ILE A 121 -1.205 -0.718 -1.779 1.00 0.00 C ATOM 1878 CG1 ILE A 121 -0.478 0.638 -2.189 1.00 0.00 C ATOM 1879 CG2 ILE A 121 -2.206 -1.084 -2.895 1.00 0.00 C ATOM 1880 CD1 ILE A 121 -1.313 1.863 -2.429 1.00 0.00 C ATOM 0 H ILE A 121 -0.113 -0.206 0.545 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.701 0.171 -0.613 1.00 0.00 H new ATOM 0 HB ILE A 121 -0.436 -1.480 -1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 121 0.241 0.877 -1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 121 0.093 0.445 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -1.680 -1.155 -3.847 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -2.672 -2.042 -2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.974 -0.314 -2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -0.666 2.697 -2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -2.015 1.671 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -1.865 2.110 -1.522 1.00 0.00 H new ATOM 1892 N GLY A 122 -2.177 -2.868 0.791 1.00 0.00 N ATOM 1893 CA GLY A 122 -2.870 -4.037 1.341 1.00 0.00 C ATOM 1894 C GLY A 122 -4.140 -3.667 2.215 1.00 0.00 C ATOM 1895 O GLY A 122 -5.218 -4.258 2.055 1.00 0.00 O ATOM 0 H GLY A 122 -1.194 -2.807 1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.180 -4.685 0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -2.172 -4.609 1.953 1.00 0.00 H new ATOM 1899 N HIS A 123 -3.977 -2.666 3.098 1.00 0.00 N ATOM 1900 CA HIS A 123 -5.069 -2.016 3.849 1.00 0.00 C ATOM 1901 C HIS A 123 -6.046 -1.413 2.819 1.00 0.00 C ATOM 1902 O HIS A 123 -7.242 -1.676 3.008 1.00 0.00 O ATOM 1903 CB HIS A 123 -4.621 -0.997 4.895 1.00 0.00 C ATOM 1904 CG HIS A 123 -4.172 -1.498 6.290 1.00 0.00 C ATOM 1905 ND1 HIS A 123 -5.030 -2.005 7.251 1.00 0.00 N ATOM 1906 CD2 HIS A 123 -2.825 -1.663 6.729 1.00 0.00 C ATOM 1907 CE1 HIS A 123 -4.106 -2.460 8.137 1.00 0.00 C ATOM 1908 NE2 HIS A 123 -2.766 -2.257 7.997 1.00 0.00 N ATOM 0 H HIS A 123 -3.060 -2.276 3.315 1.00 0.00 H new ATOM 0 HA HIS A 123 -5.561 -2.777 4.455 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -3.794 -0.429 4.468 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -5.443 -0.298 5.046 1.00 0.00 H new ATOM 0 HD1 HIS A 123 -6.049 -2.030 7.284 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -1.959 -1.367 6.156 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -4.452 -3.012 8.998 1.00 0.00 H new ATOM 1916 N SER A 124 -5.654 -0.730 1.719 1.00 0.00 N ATOM 1917 CA SER A 124 -6.628 -0.275 0.717 1.00 0.00 C ATOM 1918 C SER A 124 -7.360 -1.356 -0.088 1.00 0.00 C ATOM 1919 O SER A 124 -8.473 -1.112 -0.596 1.00 0.00 O ATOM 1920 CB SER A 124 -5.948 0.790 -0.164 1.00 0.00 C ATOM 1921 OG SER A 124 -5.860 2.067 0.462 1.00 0.00 O ATOM 0 H SER A 124 -4.685 -0.488 1.510 1.00 0.00 H new ATOM 0 HA SER A 124 -7.463 0.155 1.270 1.00 0.00 H new ATOM 0 HB2 SER A 124 -4.945 0.450 -0.424 1.00 0.00 H new ATOM 0 HB3 SER A 124 -6.503 0.888 -1.097 1.00 0.00 H new ATOM 0 HG SER A 124 -6.713 2.278 0.897 1.00 0.00 H new ATOM 1927 N LEU A 125 -6.794 -2.570 -0.206 1.00 0.00 N ATOM 1928 CA LEU A 125 -7.421 -3.686 -0.992 1.00 0.00 C ATOM 1929 C LEU A 125 -8.286 -4.760 -0.210 1.00 0.00 C ATOM 1930 O LEU A 125 -8.826 -5.657 -0.869 1.00 0.00 O ATOM 1931 CB LEU A 125 -6.280 -4.251 -1.877 1.00 0.00 C ATOM 1932 CG LEU A 125 -6.601 -4.051 -3.396 1.00 0.00 C ATOM 1933 CD1 LEU A 125 -5.523 -3.149 -3.973 1.00 0.00 C ATOM 1934 CD2 LEU A 125 -6.970 -5.351 -4.104 1.00 0.00 C ATOM 0 H LEU A 125 -5.904 -2.819 0.227 1.00 0.00 H new ATOM 0 HA LEU A 125 -8.238 -3.284 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -5.342 -3.753 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.142 -5.312 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 125 -7.534 -3.515 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -5.714 -2.986 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -5.532 -2.192 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.548 -3.621 -3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -7.181 -5.146 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -6.140 -6.053 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -7.853 -5.783 -3.634 1.00 0.00 H new ATOM 1946 N GLY A 126 -8.382 -4.700 1.156 1.00 0.00 N ATOM 1947 CA GLY A 126 -9.213 -5.676 1.946 1.00 0.00 C ATOM 1948 C GLY A 126 -8.672 -6.340 3.234 1.00 0.00 C ATOM 1949 O GLY A 126 -9.423 -6.591 4.177 1.00 0.00 O ATOM 0 H GLY A 126 -7.905 -4.001 1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -10.134 -5.160 2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -9.488 -6.482 1.265 1.00 0.00 H new ATOM 1953 N LEU A 127 -7.367 -6.656 3.291 1.00 0.00 N ATOM 1954 CA LEU A 127 -6.751 -7.271 4.477 1.00 0.00 C ATOM 1955 C LEU A 127 -6.421 -6.277 5.623 1.00 0.00 C ATOM 1956 O LEU A 127 -5.941 -5.168 5.354 1.00 0.00 O ATOM 1957 CB LEU A 127 -5.495 -8.109 4.062 1.00 0.00 C ATOM 1958 CG LEU A 127 -5.699 -9.318 3.136 1.00 0.00 C ATOM 1959 CD1 LEU A 127 -4.350 -9.814 2.621 1.00 0.00 C ATOM 1960 CD2 LEU A 127 -6.433 -10.456 3.855 1.00 0.00 C ATOM 0 H LEU A 127 -6.715 -6.494 2.523 1.00 0.00 H new ATOM 0 HA LEU A 127 -7.506 -7.934 4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.790 -7.434 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -5.017 -8.466 4.974 1.00 0.00 H new ATOM 0 HG LEU A 127 -6.314 -8.997 2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.504 -10.671 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.857 -9.016 2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.725 -10.109 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.561 -11.295 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.850 -10.777 4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.411 -10.106 4.187 1.00 0.00 H new ATOM 1972 N PHE A 128 -6.749 -6.592 6.883 1.00 0.00 N ATOM 1973 CA PHE A 128 -6.507 -5.676 8.050 1.00 0.00 C ATOM 1974 C PHE A 128 -5.165 -6.040 8.767 1.00 0.00 C ATOM 1975 O PHE A 128 -4.164 -5.624 8.227 1.00 0.00 O ATOM 1976 CB PHE A 128 -7.874 -5.704 8.846 1.00 0.00 C ATOM 1977 CG PHE A 128 -7.955 -4.975 10.202 1.00 0.00 C ATOM 1978 CD1 PHE A 128 -7.601 -3.615 10.230 1.00 0.00 C ATOM 1979 CD2 PHE A 128 -8.498 -5.615 11.319 1.00 0.00 C ATOM 1980 CE1 PHE A 128 -7.802 -2.920 11.427 1.00 0.00 C ATOM 1981 CE2 PHE A 128 -8.689 -4.911 12.500 1.00 0.00 C ATOM 1982 CZ PHE A 128 -8.331 -3.576 12.568 1.00 0.00 C ATOM 0 H PHE A 128 -7.187 -7.477 7.141 1.00 0.00 H new ATOM 0 HA PHE A 128 -6.303 -4.629 7.825 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -8.643 -5.283 8.198 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.137 -6.748 9.016 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.189 -3.125 9.360 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -8.769 -6.659 11.263 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -7.551 -1.871 11.483 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -9.115 -5.403 13.362 1.00 0.00 H new ATOM 0 HZ PHE A 128 -8.455 -3.032 13.493 1.00 0.00 H new ATOM 1992 N HIS A 129 -5.180 -6.731 9.940 1.00 0.00 N ATOM 1993 CA HIS A 129 -3.957 -7.042 10.741 1.00 0.00 C ATOM 1994 C HIS A 129 -3.747 -8.525 11.087 1.00 0.00 C ATOM 1995 O HIS A 129 -4.550 -9.117 11.800 1.00 0.00 O ATOM 1996 CB HIS A 129 -3.915 -6.161 12.010 1.00 0.00 C ATOM 1997 CG HIS A 129 -3.579 -4.673 11.760 1.00 0.00 C ATOM 1998 ND1 HIS A 129 -4.334 -3.586 12.256 1.00 0.00 N ATOM 1999 CD2 HIS A 129 -2.425 -4.205 11.166 1.00 0.00 C ATOM 2000 CE1 HIS A 129 -3.510 -2.532 11.861 1.00 0.00 C ATOM 2001 NE2 HIS A 129 -2.355 -2.822 11.199 1.00 0.00 N ATOM 0 H HIS A 129 -6.038 -7.089 10.359 1.00 0.00 H new ATOM 0 HA HIS A 129 -3.118 -6.803 10.087 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -4.883 -6.221 12.508 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -3.177 -6.574 12.697 1.00 0.00 H new ATOM 0 HD1 HIS A 129 -5.223 -3.575 12.757 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -1.668 -4.840 10.729 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -3.782 -1.509 12.075 1.00 0.00 H new ATOM 2009 N SER A 130 -2.625 -9.083 10.579 1.00 0.00 N ATOM 2010 CA SER A 130 -2.223 -10.455 10.801 1.00 0.00 C ATOM 2011 C SER A 130 -1.228 -10.558 11.972 1.00 0.00 C ATOM 2012 O SER A 130 -0.099 -9.995 11.859 1.00 0.00 O ATOM 2013 CB SER A 130 -1.599 -10.983 9.466 1.00 0.00 C ATOM 2014 OG SER A 130 -1.455 -12.408 9.510 1.00 0.00 O ATOM 0 H SER A 130 -1.971 -8.564 9.992 1.00 0.00 H new ATOM 0 HA SER A 130 -3.083 -11.065 11.077 1.00 0.00 H new ATOM 0 HB2 SER A 130 -2.232 -10.701 8.625 1.00 0.00 H new ATOM 0 HB3 SER A 130 -0.627 -10.518 9.303 1.00 0.00 H new ATOM 0 HG SER A 130 -1.721 -12.790 8.648 1.00 0.00 H new ATOM 2020 N ALA A 131 -1.595 -11.317 13.061 1.00 0.00 N ATOM 2021 CA ALA A 131 -0.647 -11.486 14.211 1.00 0.00 C ATOM 2022 C ALA A 131 0.397 -12.640 13.942 1.00 0.00 C ATOM 2023 O ALA A 131 0.282 -13.761 14.460 1.00 0.00 O ATOM 2024 CB ALA A 131 -1.507 -11.721 15.459 1.00 0.00 C ATOM 0 H ALA A 131 -2.490 -11.795 13.162 1.00 0.00 H new ATOM 0 HA ALA A 131 -0.034 -10.596 14.353 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -0.861 -11.850 16.327 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.160 -10.863 15.618 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.112 -12.617 15.320 1.00 0.00 H new ATOM 2030 N ASN A 132 1.444 -12.317 13.154 1.00 0.00 N ATOM 2031 CA ASN A 132 2.486 -13.273 12.731 1.00 0.00 C ATOM 2032 C ASN A 132 3.958 -12.719 12.721 1.00 0.00 C ATOM 2033 O ASN A 132 4.820 -13.369 13.270 1.00 0.00 O ATOM 2034 CB ASN A 132 2.046 -13.846 11.337 1.00 0.00 C ATOM 2035 CG ASN A 132 2.740 -15.066 10.773 1.00 0.00 C ATOM 2036 OD1 ASN A 132 3.461 -15.048 9.814 1.00 0.00 O ATOM 2037 ND2 ASN A 132 2.536 -16.192 11.407 1.00 0.00 N ATOM 0 H ASN A 132 1.590 -11.375 12.790 1.00 0.00 H new ATOM 0 HA ASN A 132 2.548 -14.059 13.483 1.00 0.00 H new ATOM 0 HB2 ASN A 132 0.983 -14.077 11.401 1.00 0.00 H new ATOM 0 HB3 ASN A 132 2.154 -13.044 10.607 1.00 0.00 H new ATOM 0 HD21 ASN A 132 2.989 -17.048 11.085 1.00 0.00 H new ATOM 0 HD22 ASN A 132 1.924 -16.214 12.223 1.00 0.00 H new ATOM 2044 N THR A 133 4.198 -11.530 12.198 1.00 0.00 N ATOM 2045 CA THR A 133 5.546 -10.817 12.117 1.00 0.00 C ATOM 2046 C THR A 133 6.036 -10.937 10.638 1.00 0.00 C ATOM 2047 O THR A 133 6.079 -9.906 9.959 1.00 0.00 O ATOM 2048 CB THR A 133 6.659 -11.197 13.150 1.00 0.00 C ATOM 2049 OG1 THR A 133 7.032 -12.592 13.095 1.00 0.00 O ATOM 2050 CG2 THR A 133 6.303 -10.843 14.570 1.00 0.00 C ATOM 0 H THR A 133 3.449 -10.973 11.787 1.00 0.00 H new ATOM 0 HA THR A 133 5.360 -9.787 12.423 1.00 0.00 H new ATOM 0 HB THR A 133 7.514 -10.592 12.846 1.00 0.00 H new ATOM 0 HG1 THR A 133 6.237 -13.136 12.914 1.00 0.00 H new ATOM 0 HG21 THR A 133 7.118 -11.134 15.233 1.00 0.00 H new ATOM 0 HG22 THR A 133 6.139 -9.768 14.647 1.00 0.00 H new ATOM 0 HG23 THR A 133 5.394 -11.371 14.860 1.00 0.00 H new ATOM 2058 N GLU A 134 6.334 -12.167 10.152 1.00 0.00 N ATOM 2059 CA GLU A 134 6.787 -12.404 8.743 1.00 0.00 C ATOM 2060 C GLU A 134 5.698 -12.231 7.645 1.00 0.00 C ATOM 2061 O GLU A 134 6.010 -11.951 6.499 1.00 0.00 O ATOM 2062 CB GLU A 134 7.660 -13.703 8.641 1.00 0.00 C ATOM 2063 CG GLU A 134 6.925 -15.071 8.841 1.00 0.00 C ATOM 2064 CD GLU A 134 6.899 -15.656 10.251 1.00 0.00 C ATOM 2065 OE1 GLU A 134 7.491 -16.696 10.523 1.00 0.00 O ATOM 2066 OE2 GLU A 134 6.129 -14.963 11.147 1.00 0.00 O ATOM 0 H GLU A 134 6.271 -13.018 10.711 1.00 0.00 H new ATOM 0 HA GLU A 134 7.448 -11.575 8.492 1.00 0.00 H new ATOM 0 HB2 GLU A 134 8.137 -13.715 7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 134 8.457 -13.635 9.382 1.00 0.00 H new ATOM 0 HG2 GLU A 134 5.894 -14.951 8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 134 7.391 -15.803 8.181 1.00 0.00 H new ATOM 2074 N ALA A 135 4.400 -12.299 7.979 1.00 0.00 N ATOM 2075 CA ALA A 135 3.274 -12.089 6.999 1.00 0.00 C ATOM 2076 C ALA A 135 3.063 -10.661 6.432 1.00 0.00 C ATOM 2077 O ALA A 135 2.041 -10.475 5.756 1.00 0.00 O ATOM 2078 CB ALA A 135 2.014 -12.638 7.673 1.00 0.00 C ATOM 0 H ALA A 135 4.081 -12.499 8.927 1.00 0.00 H new ATOM 0 HA ALA A 135 3.541 -12.621 6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.161 -12.513 7.006 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.151 -13.697 7.892 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.832 -12.096 8.601 1.00 0.00 H new ATOM 2084 N LEU A 136 3.963 -9.652 6.680 1.00 0.00 N ATOM 2085 CA LEU A 136 3.764 -8.254 6.138 1.00 0.00 C ATOM 2086 C LEU A 136 2.657 -7.432 6.846 1.00 0.00 C ATOM 2087 O LEU A 136 2.969 -6.345 7.333 1.00 0.00 O ATOM 2088 CB LEU A 136 3.655 -8.195 4.555 1.00 0.00 C ATOM 2089 CG LEU A 136 3.402 -6.810 3.922 1.00 0.00 C ATOM 2090 CD1 LEU A 136 4.545 -5.858 4.155 1.00 0.00 C ATOM 2091 CD2 LEU A 136 3.184 -6.971 2.370 1.00 0.00 C ATOM 0 H LEU A 136 4.811 -9.771 7.235 1.00 0.00 H new ATOM 0 HA LEU A 136 4.693 -7.745 6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 136 4.578 -8.595 4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.850 -8.861 4.246 1.00 0.00 H new ATOM 0 HG LEU A 136 2.514 -6.394 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 136 4.319 -4.898 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.689 -5.718 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.455 -6.268 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 136 3.005 -5.992 1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 136 4.072 -7.417 1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 136 2.323 -7.615 2.188 1.00 0.00 H new ATOM 2103 N MET A 137 1.375 -7.925 6.933 1.00 0.00 N ATOM 2104 CA MET A 137 0.239 -7.208 7.631 1.00 0.00 C ATOM 2105 C MET A 137 0.320 -7.176 9.212 1.00 0.00 C ATOM 2106 O MET A 137 -0.657 -7.368 9.959 1.00 0.00 O ATOM 2107 CB MET A 137 -1.073 -7.873 7.112 1.00 0.00 C ATOM 2108 CG MET A 137 -1.321 -7.801 5.610 1.00 0.00 C ATOM 2109 SD MET A 137 -0.942 -6.208 4.859 1.00 0.00 S ATOM 2110 CE MET A 137 -2.152 -5.131 5.659 1.00 0.00 C ATOM 0 H MET A 137 1.099 -8.819 6.528 1.00 0.00 H new ATOM 0 HA MET A 137 0.287 -6.147 7.384 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.064 -8.922 7.407 1.00 0.00 H new ATOM 0 HB3 MET A 137 -1.917 -7.406 7.620 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.724 -8.570 5.120 1.00 0.00 H new ATOM 0 HG3 MET A 137 -2.367 -8.039 5.417 1.00 0.00 H new ATOM 0 HE1 MET A 137 -2.364 -4.279 5.013 1.00 0.00 H new ATOM 0 HE2 MET A 137 -3.072 -5.688 5.839 1.00 0.00 H new ATOM 0 HE3 MET A 137 -1.751 -4.775 6.608 1.00 0.00 H new ATOM 2120 N TYR A 138 1.521 -6.974 9.754 1.00 0.00 N ATOM 2121 CA TYR A 138 1.775 -6.888 11.228 1.00 0.00 C ATOM 2122 C TYR A 138 1.584 -5.419 11.717 1.00 0.00 C ATOM 2123 O TYR A 138 2.113 -4.537 11.014 1.00 0.00 O ATOM 2124 CB TYR A 138 3.214 -7.419 11.510 1.00 0.00 C ATOM 2125 CG TYR A 138 3.566 -7.621 12.998 1.00 0.00 C ATOM 2126 CD1 TYR A 138 2.868 -8.598 13.734 1.00 0.00 C ATOM 2127 CD2 TYR A 138 4.529 -6.821 13.634 1.00 0.00 C ATOM 2128 CE1 TYR A 138 3.122 -8.738 15.089 1.00 0.00 C ATOM 2129 CE2 TYR A 138 4.742 -6.945 14.998 1.00 0.00 C ATOM 2130 CZ TYR A 138 4.042 -7.915 15.732 1.00 0.00 C ATOM 2131 OH TYR A 138 4.202 -7.970 17.096 1.00 0.00 O ATOM 0 H TYR A 138 2.366 -6.862 9.193 1.00 0.00 H new ATOM 0 HA TYR A 138 1.063 -7.502 11.780 1.00 0.00 H new ATOM 0 HB2 TYR A 138 3.340 -8.370 10.992 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.931 -6.722 11.076 1.00 0.00 H new ATOM 0 HD1 TYR A 138 2.142 -9.232 13.247 1.00 0.00 H new ATOM 0 HD2 TYR A 138 5.104 -6.109 13.060 1.00 0.00 H new ATOM 0 HE1 TYR A 138 2.599 -9.496 15.654 1.00 0.00 H new ATOM 0 HE2 TYR A 138 5.447 -6.295 15.496 1.00 0.00 H new ATOM 0 HH TYR A 138 4.888 -7.326 17.371 1.00 0.00 H new ATOM 2141 N PRO A 139 0.917 -5.064 12.856 1.00 0.00 N ATOM 2142 CA PRO A 139 0.734 -3.644 13.308 1.00 0.00 C ATOM 2143 C PRO A 139 1.945 -2.640 13.345 1.00 0.00 C ATOM 2144 O PRO A 139 1.723 -1.421 13.249 1.00 0.00 O ATOM 2145 CB PRO A 139 0.063 -3.830 14.662 1.00 0.00 C ATOM 2146 CG PRO A 139 -0.715 -5.181 14.608 1.00 0.00 C ATOM 2147 CD PRO A 139 0.214 -6.045 13.739 1.00 0.00 C ATOM 0 HA PRO A 139 0.171 -3.107 12.544 1.00 0.00 H new ATOM 0 HB2 PRO A 139 0.805 -3.845 15.460 1.00 0.00 H new ATOM 0 HB3 PRO A 139 -0.615 -3.003 14.872 1.00 0.00 H new ATOM 0 HG2 PRO A 139 -0.861 -5.608 15.600 1.00 0.00 H new ATOM 0 HG3 PRO A 139 -1.703 -5.066 14.162 1.00 0.00 H new ATOM 0 HD2 PRO A 139 0.920 -6.607 14.350 1.00 0.00 H new ATOM 0 HD3 PRO A 139 -0.351 -6.772 13.155 1.00 0.00 H new ATOM 2155 N LEU A 140 3.183 -3.107 13.547 1.00 0.00 N ATOM 2156 CA LEU A 140 4.390 -2.221 13.625 1.00 0.00 C ATOM 2157 C LEU A 140 5.485 -2.544 12.575 1.00 0.00 C ATOM 2158 O LEU A 140 5.908 -3.691 12.396 1.00 0.00 O ATOM 2159 CB LEU A 140 5.100 -2.371 14.992 1.00 0.00 C ATOM 2160 CG LEU A 140 4.252 -1.981 16.208 1.00 0.00 C ATOM 2161 CD1 LEU A 140 4.882 -2.456 17.556 1.00 0.00 C ATOM 2162 CD2 LEU A 140 3.976 -0.470 16.280 1.00 0.00 C ATOM 0 H LEU A 140 3.394 -4.098 13.662 1.00 0.00 H new ATOM 0 HA LEU A 140 3.989 -1.222 13.453 1.00 0.00 H new ATOM 0 HB2 LEU A 140 5.419 -3.407 15.107 1.00 0.00 H new ATOM 0 HB3 LEU A 140 6.002 -1.759 14.985 1.00 0.00 H new ATOM 0 HG LEU A 140 3.303 -2.499 16.066 1.00 0.00 H new ATOM 0 HD11 LEU A 140 4.241 -2.154 18.384 1.00 0.00 H new ATOM 0 HD12 LEU A 140 4.979 -3.542 17.550 1.00 0.00 H new ATOM 0 HD13 LEU A 140 5.867 -2.005 17.676 1.00 0.00 H new ATOM 0 HD21 LEU A 140 3.372 -0.252 17.161 1.00 0.00 H new ATOM 0 HD22 LEU A 140 4.921 0.070 16.346 1.00 0.00 H new ATOM 0 HD23 LEU A 140 3.440 -0.155 15.385 1.00 0.00 H new ATOM 2174 N TYR A 141 6.103 -1.495 12.005 1.00 0.00 N ATOM 2175 CA TYR A 141 7.243 -1.595 11.063 1.00 0.00 C ATOM 2176 C TYR A 141 8.569 -1.848 11.889 1.00 0.00 C ATOM 2177 O TYR A 141 9.056 -1.036 12.701 1.00 0.00 O ATOM 2178 CB TYR A 141 7.241 -0.295 10.216 1.00 0.00 C ATOM 2179 CG TYR A 141 8.484 -0.102 9.320 1.00 0.00 C ATOM 2180 CD1 TYR A 141 9.640 0.470 9.873 1.00 0.00 C ATOM 2181 CD2 TYR A 141 8.528 -0.499 7.963 1.00 0.00 C ATOM 2182 CE1 TYR A 141 10.815 0.617 9.166 1.00 0.00 C ATOM 2183 CE2 TYR A 141 9.700 -0.281 7.219 1.00 0.00 C ATOM 2184 CZ TYR A 141 10.842 0.235 7.829 1.00 0.00 C ATOM 2185 OH TYR A 141 11.938 0.414 6.998 1.00 0.00 O ATOM 0 H TYR A 141 5.822 -0.532 12.187 1.00 0.00 H new ATOM 0 HA TYR A 141 7.167 -2.436 10.373 1.00 0.00 H new ATOM 0 HB2 TYR A 141 6.352 -0.291 9.585 1.00 0.00 H new ATOM 0 HB3 TYR A 141 7.159 0.559 10.888 1.00 0.00 H new ATOM 0 HD1 TYR A 141 9.608 0.810 10.898 1.00 0.00 H new ATOM 0 HD2 TYR A 141 7.669 -0.965 7.503 1.00 0.00 H new ATOM 0 HE1 TYR A 141 11.697 1.021 9.641 1.00 0.00 H new ATOM 0 HE2 TYR A 141 9.716 -0.515 6.165 1.00 0.00 H new ATOM 0 HH TYR A 141 12.143 -0.428 6.541 1.00 0.00 H new ATOM 2195 N HIS A 142 9.212 -2.996 11.583 1.00 0.00 N ATOM 2196 CA HIS A 142 10.474 -3.440 12.262 1.00 0.00 C ATOM 2197 C HIS A 142 11.750 -2.970 11.599 1.00 0.00 C ATOM 2198 O HIS A 142 12.058 -1.785 11.759 1.00 0.00 O ATOM 2199 CB HIS A 142 10.246 -4.929 12.644 1.00 0.00 C ATOM 2200 CG HIS A 142 9.850 -5.967 11.597 1.00 0.00 C ATOM 2201 ND1 HIS A 142 8.570 -6.325 11.267 1.00 0.00 N ATOM 2202 CD2 HIS A 142 10.767 -6.857 11.002 1.00 0.00 C ATOM 2203 CE1 HIS A 142 8.852 -7.436 10.463 1.00 0.00 C ATOM 2204 NE2 HIS A 142 10.151 -7.812 10.207 1.00 0.00 N ATOM 0 H HIS A 142 8.884 -3.644 10.867 1.00 0.00 H new ATOM 0 HA HIS A 142 10.684 -2.928 13.201 1.00 0.00 H new ATOM 0 HB2 HIS A 142 11.167 -5.282 13.108 1.00 0.00 H new ATOM 0 HB3 HIS A 142 9.475 -4.945 13.414 1.00 0.00 H new ATOM 0 HD1 HIS A 142 7.677 -5.907 11.529 1.00 0.00 H new ATOM 0 HD2 HIS A 142 11.835 -6.801 11.149 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.039 -8.006 10.038 1.00 0.00 H new ATOM 2212 N SER A 143 12.579 -3.825 10.986 1.00 0.00 N ATOM 2213 CA SER A 143 13.883 -3.461 10.379 1.00 0.00 C ATOM 2214 C SER A 143 14.389 -4.723 9.636 1.00 0.00 C ATOM 2215 O SER A 143 15.215 -5.510 10.156 1.00 0.00 O ATOM 2216 CB SER A 143 14.944 -2.924 11.358 1.00 0.00 C ATOM 2217 OG SER A 143 14.591 -1.625 11.832 1.00 0.00 O ATOM 0 H SER A 143 12.363 -4.817 10.892 1.00 0.00 H new ATOM 0 HA SER A 143 13.721 -2.617 9.708 1.00 0.00 H new ATOM 0 HB2 SER A 143 15.045 -3.608 12.201 1.00 0.00 H new ATOM 0 HB3 SER A 143 15.914 -2.883 10.862 1.00 0.00 H new ATOM 0 HG SER A 143 13.689 -1.398 11.524 1.00 0.00 H new ATOM 2223 N LEU A 144 13.966 -4.982 8.366 1.00 0.00 N ATOM 2224 CA LEU A 144 14.464 -6.115 7.530 1.00 0.00 C ATOM 2225 C LEU A 144 15.766 -5.634 6.800 1.00 0.00 C ATOM 2226 O LEU A 144 15.724 -5.059 5.695 1.00 0.00 O ATOM 2227 CB LEU A 144 13.389 -6.625 6.514 1.00 0.00 C ATOM 2228 CG LEU A 144 12.143 -7.390 7.061 1.00 0.00 C ATOM 2229 CD1 LEU A 144 11.260 -7.853 5.881 1.00 0.00 C ATOM 2230 CD2 LEU A 144 12.535 -8.611 7.950 1.00 0.00 C ATOM 0 H LEU A 144 13.268 -4.409 7.891 1.00 0.00 H new ATOM 0 HA LEU A 144 14.684 -6.969 8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 144 13.028 -5.762 5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 144 13.892 -7.279 5.802 1.00 0.00 H new ATOM 0 HG LEU A 144 11.586 -6.700 7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 144 10.391 -8.387 6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 144 10.930 -6.985 5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.835 -8.515 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 144 11.632 -9.108 8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 144 13.129 -9.312 7.364 1.00 0.00 H new ATOM 0 HD23 LEU A 144 13.119 -8.267 8.804 1.00 0.00 H new ATOM 2242 N THR A 145 16.903 -5.923 7.428 1.00 0.00 N ATOM 2243 CA THR A 145 18.259 -5.595 6.883 1.00 0.00 C ATOM 2244 C THR A 145 18.604 -6.179 5.496 1.00 0.00 C ATOM 2245 O THR A 145 19.196 -5.553 4.611 1.00 0.00 O ATOM 2246 CB THR A 145 19.316 -5.993 7.971 1.00 0.00 C ATOM 2247 OG1 THR A 145 19.174 -7.352 8.334 1.00 0.00 O ATOM 2248 CG2 THR A 145 19.237 -5.256 9.294 1.00 0.00 C ATOM 0 H THR A 145 16.932 -6.393 8.333 1.00 0.00 H new ATOM 0 HA THR A 145 18.269 -4.524 6.682 1.00 0.00 H new ATOM 0 HB THR A 145 20.254 -5.742 7.477 1.00 0.00 H new ATOM 0 HG1 THR A 145 19.843 -7.581 9.012 1.00 0.00 H new ATOM 0 HG21 THR A 145 20.019 -5.620 9.961 1.00 0.00 H new ATOM 0 HG22 THR A 145 19.373 -4.188 9.124 1.00 0.00 H new ATOM 0 HG23 THR A 145 18.262 -5.430 9.750 1.00 0.00 H new ATOM 2256 N ASP A 146 18.243 -7.435 5.360 1.00 0.00 N ATOM 2257 CA ASP A 146 18.418 -8.203 4.104 1.00 0.00 C ATOM 2258 C ASP A 146 17.065 -8.216 3.336 1.00 0.00 C ATOM 2259 O ASP A 146 16.309 -9.202 3.453 1.00 0.00 O ATOM 2260 CB ASP A 146 18.935 -9.629 4.342 1.00 0.00 C ATOM 2261 CG ASP A 146 20.430 -9.663 4.785 1.00 0.00 C ATOM 2262 OD1 ASP A 146 21.367 -9.576 3.998 1.00 0.00 O ATOM 2263 OD2 ASP A 146 20.588 -9.887 6.114 1.00 0.00 O ATOM 0 H ASP A 146 17.814 -7.975 6.112 1.00 0.00 H new ATOM 0 HA ASP A 146 19.184 -7.710 3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 146 18.323 -10.110 5.106 1.00 0.00 H new ATOM 0 HB3 ASP A 146 18.818 -10.210 3.427 1.00 0.00 H new ATOM 2269 N LEU A 147 16.803 -7.181 2.522 1.00 0.00 N ATOM 2270 CA LEU A 147 15.536 -7.075 1.723 1.00 0.00 C ATOM 2271 C LEU A 147 15.252 -8.222 0.692 1.00 0.00 C ATOM 2272 O LEU A 147 14.102 -8.409 0.265 1.00 0.00 O ATOM 2273 CB LEU A 147 15.473 -5.649 1.060 1.00 0.00 C ATOM 2274 CG LEU A 147 14.942 -4.512 1.968 1.00 0.00 C ATOM 2275 CD1 LEU A 147 15.265 -3.195 1.317 1.00 0.00 C ATOM 2276 CD2 LEU A 147 13.410 -4.577 2.181 1.00 0.00 C ATOM 0 H LEU A 147 17.442 -6.397 2.388 1.00 0.00 H new ATOM 0 HA LEU A 147 14.723 -7.211 2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 147 16.474 -5.381 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 147 14.841 -5.707 0.174 1.00 0.00 H new ATOM 0 HG LEU A 147 15.419 -4.622 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 147 14.899 -2.381 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 147 16.345 -3.103 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 147 14.786 -3.145 0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 147 13.097 -3.755 2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 147 12.905 -4.496 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 147 13.148 -5.526 2.650 1.00 0.00 H new ATOM 2288 N THR A 148 16.266 -9.033 0.323 1.00 0.00 N ATOM 2289 CA THR A 148 16.061 -10.216 -0.553 1.00 0.00 C ATOM 2290 C THR A 148 15.202 -11.317 0.142 1.00 0.00 C ATOM 2291 O THR A 148 14.551 -12.067 -0.577 1.00 0.00 O ATOM 2292 CB THR A 148 17.426 -10.701 -1.110 1.00 0.00 C ATOM 2293 OG1 THR A 148 18.366 -11.020 -0.047 1.00 0.00 O ATOM 2294 CG2 THR A 148 18.131 -9.658 -1.966 1.00 0.00 C ATOM 0 H THR A 148 17.234 -8.895 0.615 1.00 0.00 H new ATOM 0 HA THR A 148 15.463 -9.931 -1.419 1.00 0.00 H new ATOM 0 HB THR A 148 17.167 -11.577 -1.704 1.00 0.00 H new ATOM 0 HG1 THR A 148 19.212 -11.323 -0.438 1.00 0.00 H new ATOM 0 HG21 THR A 148 19.079 -10.061 -2.324 1.00 0.00 H new ATOM 0 HG22 THR A 148 17.502 -9.401 -2.818 1.00 0.00 H new ATOM 0 HG23 THR A 148 18.318 -8.765 -1.370 1.00 0.00 H new ATOM 2302 N ARG A 149 15.233 -11.454 1.477 1.00 0.00 N ATOM 2303 CA ARG A 149 14.365 -12.426 2.255 1.00 0.00 C ATOM 2304 C ARG A 149 12.848 -11.968 2.427 1.00 0.00 C ATOM 2305 O ARG A 149 12.109 -12.601 3.154 1.00 0.00 O ATOM 2306 CB ARG A 149 14.972 -12.551 3.672 1.00 0.00 C ATOM 2307 CG ARG A 149 16.448 -12.999 3.846 1.00 0.00 C ATOM 2308 CD ARG A 149 16.673 -14.495 3.545 1.00 0.00 C ATOM 2309 NE ARG A 149 16.975 -14.738 2.102 1.00 0.00 N ATOM 2310 CZ ARG A 149 18.156 -14.569 1.502 1.00 0.00 C ATOM 2311 NH1 ARG A 149 19.248 -14.248 2.147 1.00 0.00 N ATOM 2312 NH2 ARG A 149 18.203 -14.820 0.227 1.00 0.00 N ATOM 0 H ARG A 149 15.853 -10.905 2.072 1.00 0.00 H new ATOM 0 HA ARG A 149 14.351 -13.359 1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 149 14.869 -11.580 4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 149 14.352 -13.253 4.230 1.00 0.00 H new ATOM 0 HG2 ARG A 149 17.081 -12.404 3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 149 16.766 -12.790 4.867 1.00 0.00 H new ATOM 0 HD2 ARG A 149 17.496 -14.867 4.155 1.00 0.00 H new ATOM 0 HD3 ARG A 149 15.785 -15.059 3.829 1.00 0.00 H new ATOM 0 HE ARG A 149 16.205 -15.065 1.519 1.00 0.00 H new ATOM 0 HH11 ARG A 149 19.223 -14.115 3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 149 20.125 -14.131 1.639 1.00 0.00 H new ATOM 0 HH21 ARG A 149 17.364 -15.129 -0.263 1.00 0.00 H new ATOM 0 HH22 ARG A 149 19.079 -14.708 -0.283 1.00 0.00 H new ATOM 2325 N PHE A 150 12.414 -10.842 1.794 1.00 0.00 N ATOM 2326 CA PHE A 150 11.038 -10.345 1.932 1.00 0.00 C ATOM 2327 C PHE A 150 10.086 -11.042 0.956 1.00 0.00 C ATOM 2328 O PHE A 150 9.914 -10.632 -0.166 1.00 0.00 O ATOM 2329 CB PHE A 150 11.068 -8.790 1.827 1.00 0.00 C ATOM 2330 CG PHE A 150 9.682 -8.060 1.812 1.00 0.00 C ATOM 2331 CD1 PHE A 150 8.570 -8.455 2.566 1.00 0.00 C ATOM 2332 CD2 PHE A 150 9.602 -6.906 1.036 1.00 0.00 C ATOM 2333 CE1 PHE A 150 7.358 -7.772 2.437 1.00 0.00 C ATOM 2334 CE2 PHE A 150 8.397 -6.227 0.886 1.00 0.00 C ATOM 2335 CZ PHE A 150 7.254 -6.718 1.519 1.00 0.00 C ATOM 0 H PHE A 150 13.004 -10.272 1.188 1.00 0.00 H new ATOM 0 HA PHE A 150 10.629 -10.595 2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 150 11.647 -8.403 2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 150 11.605 -8.520 0.917 1.00 0.00 H new ATOM 0 HD1 PHE A 150 8.649 -9.289 3.248 1.00 0.00 H new ATOM 0 HD2 PHE A 150 10.488 -6.533 0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 150 6.508 -8.054 3.040 1.00 0.00 H new ATOM 0 HE2 PHE A 150 8.347 -5.330 0.287 1.00 0.00 H new ATOM 0 HZ PHE A 150 6.289 -6.285 1.301 1.00 0.00 H new ATOM 2345 N ARG A 151 9.434 -12.098 1.448 1.00 0.00 N ATOM 2346 CA ARG A 151 8.473 -12.930 0.669 1.00 0.00 C ATOM 2347 C ARG A 151 7.090 -12.934 1.380 1.00 0.00 C ATOM 2348 O ARG A 151 7.005 -12.852 2.618 1.00 0.00 O ATOM 2349 CB ARG A 151 9.055 -14.357 0.486 1.00 0.00 C ATOM 2350 CG ARG A 151 9.430 -15.156 1.795 1.00 0.00 C ATOM 2351 CD ARG A 151 10.011 -16.561 1.559 1.00 0.00 C ATOM 2352 NE ARG A 151 10.175 -17.250 2.888 1.00 0.00 N ATOM 2353 CZ ARG A 151 10.502 -18.533 3.030 1.00 0.00 C ATOM 2354 NH1 ARG A 151 10.736 -19.394 2.034 1.00 0.00 N ATOM 2355 NH2 ARG A 151 10.491 -18.956 4.221 1.00 0.00 N ATOM 0 H ARG A 151 9.550 -12.415 2.410 1.00 0.00 H new ATOM 0 HA ARG A 151 8.323 -12.510 -0.326 1.00 0.00 H new ATOM 0 HB2 ARG A 151 8.331 -14.948 -0.075 1.00 0.00 H new ATOM 0 HB3 ARG A 151 9.950 -14.280 -0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 151 10.153 -14.572 2.364 1.00 0.00 H new ATOM 0 HG3 ARG A 151 8.537 -15.248 2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 151 9.349 -17.139 0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 151 10.972 -16.491 1.049 1.00 0.00 H new ATOM 0 HE ARG A 151 10.026 -16.699 3.733 1.00 0.00 H new ATOM 0 HH11 ARG A 151 10.669 -19.083 1.065 1.00 0.00 H new ATOM 0 HH12 ARG A 151 10.981 -20.362 2.243 1.00 0.00 H new ATOM 0 HH21 ARG A 151 10.244 -18.326 4.984 1.00 0.00 H new ATOM 0 HH22 ARG A 151 10.729 -19.928 4.419 1.00 0.00 H new ATOM 2368 N LEU A 152 5.983 -13.115 0.641 1.00 0.00 N ATOM 2369 CA LEU A 152 4.612 -13.110 1.251 1.00 0.00 C ATOM 2370 C LEU A 152 4.342 -14.530 1.841 1.00 0.00 C ATOM 2371 O LEU A 152 4.423 -15.571 1.174 1.00 0.00 O ATOM 2372 CB LEU A 152 3.521 -12.746 0.197 1.00 0.00 C ATOM 2373 CG LEU A 152 3.507 -11.258 -0.319 1.00 0.00 C ATOM 2374 CD1 LEU A 152 2.488 -11.138 -1.451 1.00 0.00 C ATOM 2375 CD2 LEU A 152 3.197 -10.236 0.769 1.00 0.00 C ATOM 0 H LEU A 152 5.993 -13.266 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 152 4.566 -12.354 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 152 3.646 -13.404 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 152 2.544 -12.966 0.628 1.00 0.00 H new ATOM 0 HG LEU A 152 4.513 -11.029 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 152 2.469 -10.111 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.767 -11.808 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.499 -11.409 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 152 3.205 -9.234 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 152 2.214 -10.442 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 152 3.951 -10.300 1.554 1.00 0.00 H new ATOM 2387 N SER A 153 4.102 -14.592 3.174 1.00 0.00 N ATOM 2388 CA SER A 153 3.878 -15.871 3.863 1.00 0.00 C ATOM 2389 C SER A 153 2.631 -16.651 3.393 1.00 0.00 C ATOM 2390 O SER A 153 1.710 -16.093 2.785 1.00 0.00 O ATOM 2391 CB SER A 153 3.895 -15.726 5.410 1.00 0.00 C ATOM 2392 OG SER A 153 2.699 -15.158 5.961 1.00 0.00 O ATOM 0 H SER A 153 4.060 -13.774 3.782 1.00 0.00 H new ATOM 0 HA SER A 153 4.733 -16.479 3.568 1.00 0.00 H new ATOM 0 HB2 SER A 153 4.055 -16.709 5.854 1.00 0.00 H new ATOM 0 HB3 SER A 153 4.744 -15.105 5.696 1.00 0.00 H new ATOM 0 HG SER A 153 2.466 -15.627 6.790 1.00 0.00 H new ATOM 2398 N GLN A 154 2.607 -17.966 3.712 1.00 0.00 N ATOM 2399 CA GLN A 154 1.520 -18.882 3.271 1.00 0.00 C ATOM 2400 C GLN A 154 0.099 -18.456 3.837 1.00 0.00 C ATOM 2401 O GLN A 154 -0.918 -18.642 3.167 1.00 0.00 O ATOM 2402 CB GLN A 154 1.892 -20.383 3.571 1.00 0.00 C ATOM 2403 CG GLN A 154 0.968 -21.397 2.888 1.00 0.00 C ATOM 2404 CD GLN A 154 1.158 -21.470 1.365 1.00 0.00 C ATOM 2405 OE1 GLN A 154 2.202 -21.872 0.836 1.00 0.00 O ATOM 2406 NE2 GLN A 154 0.156 -21.212 0.540 1.00 0.00 N ATOM 0 H GLN A 154 3.327 -18.420 4.274 1.00 0.00 H new ATOM 0 HA GLN A 154 1.428 -18.793 2.189 1.00 0.00 H new ATOM 0 HB2 GLN A 154 2.917 -20.565 3.249 1.00 0.00 H new ATOM 0 HB3 GLN A 154 1.863 -20.547 4.648 1.00 0.00 H new ATOM 0 HG2 GLN A 154 1.145 -22.384 3.316 1.00 0.00 H new ATOM 0 HG3 GLN A 154 -0.068 -21.136 3.105 1.00 0.00 H new ATOM 0 HE21 GLN A 154 -0.734 -20.877 0.908 1.00 0.00 H new ATOM 0 HE22 GLN A 154 0.274 -21.348 -0.464 1.00 0.00 H new ATOM 2415 N ASP A 155 0.021 -17.942 5.055 1.00 0.00 N ATOM 2416 CA ASP A 155 -1.211 -17.460 5.755 1.00 0.00 C ATOM 2417 C ASP A 155 -2.062 -16.480 4.891 1.00 0.00 C ATOM 2418 O ASP A 155 -3.246 -16.701 4.623 1.00 0.00 O ATOM 2419 CB ASP A 155 -0.686 -16.968 7.157 1.00 0.00 C ATOM 2420 CG ASP A 155 -1.762 -16.441 8.106 1.00 0.00 C ATOM 2421 OD1 ASP A 155 -2.735 -17.080 8.476 1.00 0.00 O ATOM 2422 OD2 ASP A 155 -1.570 -15.139 8.464 1.00 0.00 O ATOM 0 H ASP A 155 0.853 -17.834 5.635 1.00 0.00 H new ATOM 0 HA ASP A 155 -1.968 -18.227 5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -0.168 -17.794 7.644 1.00 0.00 H new ATOM 0 HB3 ASP A 155 0.051 -16.181 6.996 1.00 0.00 H new ATOM 2428 N ASP A 156 -1.385 -15.412 4.411 1.00 0.00 N ATOM 2429 CA ASP A 156 -1.990 -14.416 3.525 1.00 0.00 C ATOM 2430 C ASP A 156 -2.399 -15.105 2.166 1.00 0.00 C ATOM 2431 O ASP A 156 -3.543 -14.920 1.800 1.00 0.00 O ATOM 2432 CB ASP A 156 -1.037 -13.255 3.233 1.00 0.00 C ATOM 2433 CG ASP A 156 -0.530 -12.347 4.405 1.00 0.00 C ATOM 2434 OD1 ASP A 156 -0.979 -12.331 5.555 1.00 0.00 O ATOM 2435 OD2 ASP A 156 0.516 -11.565 4.027 1.00 0.00 O ATOM 0 H ASP A 156 -0.407 -15.225 4.632 1.00 0.00 H new ATOM 0 HA ASP A 156 -2.867 -14.011 4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -0.158 -13.672 2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -1.529 -12.606 2.509 1.00 0.00 H new ATOM 2441 N ILE A 157 -1.534 -15.906 1.468 1.00 0.00 N ATOM 2442 CA ILE A 157 -1.881 -16.620 0.196 1.00 0.00 C ATOM 2443 C ILE A 157 -3.159 -17.493 0.379 1.00 0.00 C ATOM 2444 O ILE A 157 -4.129 -17.293 -0.389 1.00 0.00 O ATOM 2445 CB ILE A 157 -0.598 -17.373 -0.409 1.00 0.00 C ATOM 2446 CG1 ILE A 157 0.547 -16.395 -0.835 1.00 0.00 C ATOM 2447 CG2 ILE A 157 -0.904 -18.151 -1.698 1.00 0.00 C ATOM 2448 CD1 ILE A 157 1.995 -16.965 -0.765 1.00 0.00 C ATOM 0 H ILE A 157 -0.575 -16.074 1.773 1.00 0.00 H new ATOM 0 HA ILE A 157 -2.156 -15.898 -0.573 1.00 0.00 H new ATOM 0 HB ILE A 157 -0.301 -18.028 0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 157 0.356 -16.067 -1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 157 0.496 -15.510 -0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 157 0.005 -18.636 -2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -1.663 -18.906 -1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -1.271 -17.463 -2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 157 2.703 -16.200 -1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 157 2.219 -17.264 0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 157 2.077 -17.831 -1.422 1.00 0.00 H new ATOM 2460 N ASN A 158 -3.199 -18.429 1.383 1.00 0.00 N ATOM 2461 CA ASN A 158 -4.403 -19.301 1.653 1.00 0.00 C ATOM 2462 C ASN A 158 -5.682 -18.411 1.875 1.00 0.00 C ATOM 2463 O ASN A 158 -6.733 -18.616 1.254 1.00 0.00 O ATOM 2464 CB ASN A 158 -4.141 -20.165 2.925 1.00 0.00 C ATOM 2465 CG ASN A 158 -3.100 -21.245 2.808 1.00 0.00 C ATOM 2466 OD1 ASN A 158 -2.403 -21.485 1.824 1.00 0.00 O ATOM 2467 ND2 ASN A 158 -2.875 -21.990 3.882 1.00 0.00 N ATOM 0 H ASN A 158 -2.418 -18.601 2.017 1.00 0.00 H new ATOM 0 HA ASN A 158 -4.571 -19.951 0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 158 -3.848 -19.497 3.735 1.00 0.00 H new ATOM 0 HB3 ASN A 158 -5.082 -20.630 3.220 1.00 0.00 H new ATOM 0 HD21 ASN A 158 -2.156 -22.713 3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 158 -3.421 -21.840 4.731 1.00 0.00 H new ATOM 2474 N GLY A 159 -5.612 -17.402 2.798 1.00 0.00 N ATOM 2475 CA GLY A 159 -6.757 -16.509 3.018 1.00 0.00 C ATOM 2476 C GLY A 159 -7.332 -15.788 1.768 1.00 0.00 C ATOM 2477 O GLY A 159 -8.536 -15.886 1.465 1.00 0.00 O ATOM 0 H GLY A 159 -4.795 -17.204 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -7.559 -17.090 3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -6.462 -15.750 3.742 1.00 0.00 H new ATOM 2481 N ILE A 160 -6.484 -15.101 0.969 1.00 0.00 N ATOM 2482 CA ILE A 160 -7.010 -14.368 -0.265 1.00 0.00 C ATOM 2483 C ILE A 160 -7.311 -15.230 -1.485 1.00 0.00 C ATOM 2484 O ILE A 160 -8.118 -14.784 -2.358 1.00 0.00 O ATOM 2485 CB ILE A 160 -6.380 -12.993 -0.382 1.00 0.00 C ATOM 2486 CG1 ILE A 160 -6.829 -12.117 -1.551 1.00 0.00 C ATOM 2487 CG2 ILE A 160 -4.803 -12.953 -0.358 1.00 0.00 C ATOM 2488 CD1 ILE A 160 -6.755 -10.613 -1.165 1.00 0.00 C ATOM 0 H ILE A 160 -5.478 -15.023 1.121 1.00 0.00 H new ATOM 0 HA ILE A 160 -8.060 -14.109 -0.133 1.00 0.00 H new ATOM 0 HB ILE A 160 -6.778 -12.571 0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.198 -12.307 -2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -7.849 -12.376 -1.836 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -4.464 -11.921 -0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -4.443 -13.373 0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -4.411 -13.538 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.078 -10.004 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -7.406 -10.424 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -5.729 -10.355 -0.903 1.00 0.00 H new ATOM 2500 N GLN A 161 -6.762 -16.414 -1.501 1.00 0.00 N ATOM 2501 CA GLN A 161 -7.176 -17.483 -2.424 1.00 0.00 C ATOM 2502 C GLN A 161 -8.699 -17.816 -2.082 1.00 0.00 C ATOM 2503 O GLN A 161 -9.510 -17.998 -2.970 1.00 0.00 O ATOM 2504 CB GLN A 161 -6.358 -18.736 -2.061 1.00 0.00 C ATOM 2505 CG GLN A 161 -5.219 -19.119 -3.053 1.00 0.00 C ATOM 2506 CD GLN A 161 -4.363 -20.345 -2.628 1.00 0.00 C ATOM 2507 OE1 GLN A 161 -4.758 -21.215 -1.912 1.00 0.00 O ATOM 2508 NE2 GLN A 161 -3.187 -20.490 -3.166 1.00 0.00 N ATOM 0 H GLN A 161 -6.005 -16.686 -0.874 1.00 0.00 H new ATOM 0 HA GLN A 161 -7.039 -17.196 -3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -5.919 -18.586 -1.075 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -7.042 -19.581 -1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -5.661 -19.324 -4.028 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -4.560 -18.259 -3.175 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -2.816 -19.768 -3.783 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -2.636 -21.326 -2.970 1.00 0.00 H new ATOM 2517 N SER A 162 -8.985 -17.997 -0.771 1.00 0.00 N ATOM 2518 CA SER A 162 -10.340 -18.220 -0.268 1.00 0.00 C ATOM 2519 C SER A 162 -11.148 -16.868 -0.338 1.00 0.00 C ATOM 2520 O SER A 162 -12.349 -16.945 -0.198 1.00 0.00 O ATOM 2521 CB SER A 162 -10.295 -18.830 1.137 1.00 0.00 C ATOM 2522 OG SER A 162 -9.770 -18.005 2.181 1.00 0.00 O ATOM 0 H SER A 162 -8.274 -17.991 -0.040 1.00 0.00 H new ATOM 0 HA SER A 162 -10.864 -18.943 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A 162 -11.308 -19.124 1.413 1.00 0.00 H new ATOM 0 HB3 SER A 162 -9.700 -19.742 1.093 1.00 0.00 H new ATOM 0 HG SER A 162 -9.522 -17.131 1.814 1.00 0.00 H new ATOM 2528 N LEU A 163 -10.502 -15.664 -0.597 1.00 0.00 N ATOM 2529 CA LEU A 163 -11.213 -14.330 -0.708 1.00 0.00 C ATOM 2530 C LEU A 163 -11.625 -14.037 -2.191 1.00 0.00 C ATOM 2531 O LEU A 163 -12.804 -14.105 -2.525 1.00 0.00 O ATOM 2532 CB LEU A 163 -10.569 -13.094 -0.010 1.00 0.00 C ATOM 2533 CG LEU A 163 -10.289 -12.973 1.522 1.00 0.00 C ATOM 2534 CD1 LEU A 163 -9.644 -11.669 1.927 1.00 0.00 C ATOM 2535 CD2 LEU A 163 -11.632 -13.097 2.286 1.00 0.00 C ATOM 0 H LEU A 163 -9.493 -15.596 -0.731 1.00 0.00 H new ATOM 0 HA LEU A 163 -12.104 -14.474 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -9.609 -12.939 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -11.200 -12.243 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 163 -9.590 -13.771 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -9.482 -11.662 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -8.687 -11.562 1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -10.296 -10.840 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -11.450 -13.014 3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -12.305 -12.300 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -12.086 -14.064 2.069 1.00 0.00 H new ATOM 2547 N TYR A 164 -10.763 -13.781 -3.156 1.00 0.00 N ATOM 2548 CA TYR A 164 -11.170 -13.485 -4.580 1.00 0.00 C ATOM 2549 C TYR A 164 -11.306 -14.789 -5.537 1.00 0.00 C ATOM 2550 O TYR A 164 -11.958 -14.659 -6.585 1.00 0.00 O ATOM 2551 CB TYR A 164 -10.142 -12.394 -5.047 1.00 0.00 C ATOM 2552 CG TYR A 164 -10.242 -10.942 -4.527 1.00 0.00 C ATOM 2553 CD1 TYR A 164 -11.435 -10.217 -4.743 1.00 0.00 C ATOM 2554 CD2 TYR A 164 -9.195 -10.289 -3.912 1.00 0.00 C ATOM 2555 CE1 TYR A 164 -11.507 -8.878 -4.389 1.00 0.00 C ATOM 2556 CE2 TYR A 164 -9.290 -8.954 -3.526 1.00 0.00 C ATOM 2557 CZ TYR A 164 -10.465 -8.257 -3.710 1.00 0.00 C ATOM 2558 OH TYR A 164 -10.618 -7.026 -3.141 1.00 0.00 O ATOM 0 H TYR A 164 -9.754 -13.764 -3.009 1.00 0.00 H new ATOM 0 HA TYR A 164 -12.193 -13.114 -4.648 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -9.148 -12.759 -4.790 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -10.194 -12.349 -6.135 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -12.291 -10.706 -5.184 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -8.277 -10.827 -3.725 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -12.388 -8.308 -4.645 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -8.438 -8.462 -3.080 1.00 0.00 H new ATOM 0 HH TYR A 164 -9.918 -6.887 -2.469 1.00 0.00 H new ATOM 2568 N GLY A 165 -10.744 -15.969 -5.174 1.00 0.00 N ATOM 2569 CA GLY A 165 -10.772 -17.192 -6.002 1.00 0.00 C ATOM 2570 C GLY A 165 -9.394 -17.425 -6.696 1.00 0.00 C ATOM 2571 O GLY A 165 -8.981 -16.549 -7.432 1.00 0.00 O ATOM 0 H GLY A 165 -10.254 -16.095 -4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -11.021 -18.052 -5.380 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -11.554 -17.108 -6.756 1.00 0.00 H new ATOM 2575 N PRO A 166 -8.621 -18.541 -6.547 1.00 0.00 N ATOM 2576 CA PRO A 166 -7.255 -18.752 -7.137 1.00 0.00 C ATOM 2577 C PRO A 166 -6.876 -18.301 -8.584 1.00 0.00 C ATOM 2578 O PRO A 166 -7.796 -18.070 -9.377 1.00 0.00 O ATOM 2579 CB PRO A 166 -6.997 -20.222 -6.920 1.00 0.00 C ATOM 2580 CG PRO A 166 -8.149 -20.853 -6.124 1.00 0.00 C ATOM 2581 CD PRO A 166 -9.041 -19.714 -5.763 1.00 0.00 C ATOM 0 HA PRO A 166 -6.607 -18.039 -6.627 1.00 0.00 H new ATOM 0 HB2 PRO A 166 -6.891 -20.725 -7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 166 -6.058 -20.358 -6.384 1.00 0.00 H new ATOM 0 HG2 PRO A 166 -8.680 -21.596 -6.720 1.00 0.00 H new ATOM 0 HG3 PRO A 166 -7.780 -21.363 -5.234 1.00 0.00 H new ATOM 0 HD2 PRO A 166 -10.081 -19.962 -5.976 1.00 0.00 H new ATOM 0 HD3 PRO A 166 -8.976 -19.502 -4.696 1.00 0.00 H new ATOM 2589 N PRO A 167 -5.586 -18.116 -8.952 1.00 0.00 N ATOM 2590 CA PRO A 167 -5.234 -17.581 -10.314 1.00 0.00 C ATOM 2591 C PRO A 167 -5.433 -18.613 -11.545 1.00 0.00 C ATOM 2592 O PRO A 167 -5.055 -19.782 -11.380 1.00 0.00 O ATOM 2593 CB PRO A 167 -3.791 -17.193 -10.133 1.00 0.00 C ATOM 2594 CG PRO A 167 -3.234 -18.047 -8.998 1.00 0.00 C ATOM 2595 CD PRO A 167 -4.406 -18.344 -8.071 1.00 0.00 C ATOM 0 HA PRO A 167 -5.899 -16.768 -10.606 1.00 0.00 H new ATOM 0 HB2 PRO A 167 -3.229 -17.360 -11.052 1.00 0.00 H new ATOM 0 HB3 PRO A 167 -3.704 -16.133 -9.895 1.00 0.00 H new ATOM 0 HG2 PRO A 167 -2.799 -18.970 -9.383 1.00 0.00 H new ATOM 0 HG3 PRO A 167 -2.442 -17.519 -8.467 1.00 0.00 H new ATOM 0 HD2 PRO A 167 -4.374 -19.366 -7.693 1.00 0.00 H new ATOM 0 HD3 PRO A 167 -4.414 -17.683 -7.204 1.00 0.00 H new ATOM 2603 N PRO A 168 -5.966 -18.186 -12.752 1.00 0.00 N ATOM 2604 CA PRO A 168 -6.114 -19.104 -13.898 1.00 0.00 C ATOM 2605 C PRO A 168 -4.834 -19.314 -14.816 1.00 0.00 C ATOM 2606 O PRO A 168 -4.550 -20.506 -15.058 1.00 0.00 O ATOM 2607 CB PRO A 168 -7.275 -18.365 -14.653 1.00 0.00 C ATOM 2608 CG PRO A 168 -7.208 -16.848 -14.364 1.00 0.00 C ATOM 2609 CD PRO A 168 -6.467 -16.809 -12.970 1.00 0.00 C ATOM 2610 OXT PRO A 168 -4.372 -18.357 -15.507 1.00 0.00 O ATOM 0 HA PRO A 168 -6.292 -20.136 -13.595 1.00 0.00 H new ATOM 0 HB2 PRO A 168 -7.195 -18.544 -15.725 1.00 0.00 H new ATOM 0 HB3 PRO A 168 -8.239 -18.763 -14.335 1.00 0.00 H new ATOM 0 HG2 PRO A 168 -6.655 -16.310 -15.134 1.00 0.00 H new ATOM 0 HG3 PRO A 168 -8.200 -16.399 -14.311 1.00 0.00 H new ATOM 0 HD2 PRO A 168 -5.648 -16.090 -12.981 1.00 0.00 H new ATOM 0 HD3 PRO A 168 -7.146 -16.507 -12.172 1.00 0.00 H new TER 2618 PRO A 168 HETATM 2619 ZN ZN A 169 -1.042 -1.198 9.638 1.00 0.00 ZN HETATM 2620 ZN ZN A 170 -7.808 11.720 3.875 1.00 0.00 ZN HETATM 2621 CA CA A 171 4.288 9.059 11.329 1.00 0.00 CA HETATM 2622 CA CA A 172 -10.312 5.992 -0.544 1.00 0.00 CA HETATM 2623 CA CA A 173 8.810 12.779 4.856 1.00 0.00 CA HETATM 2624 C1 ATT A 174 -9.288 1.767 8.973 1.00 0.00 C HETATM 2625 C2 ATT A 174 -10.516 0.995 8.353 1.00 0.00 C HETATM 2626 C3 ATT A 174 -10.947 2.512 6.432 1.00 0.00 C HETATM 2627 C7 ATT A 174 -6.221 5.090 10.281 1.00 0.00 C HETATM 2628 C8 ATT A 174 -5.983 4.702 11.609 1.00 0.00 C HETATM 2629 C9 ATT A 174 -6.947 3.969 12.302 1.00 0.00 C HETATM 2630 C10 ATT A 174 -8.091 3.525 11.645 1.00 0.00 C HETATM 2631 C11 ATT A 174 -4.584 1.816 8.467 1.00 0.00 C HETATM 2632 C12 ATT A 174 -2.442 1.649 9.628 1.00 0.00 C HETATM 2633 N3 ATT A 174 -2.511 2.606 8.705 1.00 0.00 N HETATM 2634 N4 ATT A 174 -3.724 2.666 8.123 1.00 0.00 N HETATM 2635 S1 ATT A 174 -3.928 0.732 9.679 1.00 0.00 S HETATM 2636 S2 ATT A 174 -1.101 1.336 10.472 1.00 0.00 S HETATM 2637 N ATT A 174 -5.887 1.787 7.890 1.00 0.00 N HETATM 2638 C ATT A 174 -6.929 1.253 8.472 1.00 0.00 C HETATM 2639 O ATT A 174 -6.755 0.546 9.500 1.00 0.00 O HETATM 2640 N1 ATT A 174 -8.109 1.651 8.061 1.00 0.00 N HETATM 2641 O1 ATT A 174 -11.039 -0.003 8.864 1.00 0.00 O HETATM 2642 N2 ATT A 174 -11.190 1.285 7.256 1.00 0.00 N HETATM 2643 C4 ATT A 174 -9.469 3.228 9.496 1.00 0.00 C HETATM 2644 C5 ATT A 174 -8.313 3.836 10.299 1.00 0.00 C HETATM 2645 C6 ATT A 174 -7.397 4.643 9.647 1.00 0.00 C HETATM 0 HN2 ATT A 174 -11.917 0.637 6.952 1.00 0.00 H new HETATM 0 HN1 ATT A 174 -8.228 1.892 7.077 1.00 0.00 H new HETATM 0 HN ATT A 174 -6.014 2.207 6.969 1.00 0.00 H new HETATM 0 H9 ATT A 174 -6.804 3.744 13.359 1.00 0.00 H new HETATM 0 H8 ATT A 174 -5.047 4.973 12.098 1.00 0.00 H new HETATM 0 H7 ATT A 174 -5.510 5.724 9.751 1.00 0.00 H new HETATM 0 H6 ATT A 174 -7.590 4.940 8.616 1.00 0.00 H new HETATM 0 H42 ATT A 174 -9.659 3.872 8.638 1.00 0.00 H new HETATM 0 H41 ATT A 174 -10.363 3.255 10.119 1.00 0.00 H new HETATM 0 H33 ATT A 174 -11.116 3.399 7.042 1.00 0.00 H new HETATM 0 H32 ATT A 174 -9.918 2.510 6.071 1.00 0.00 H new HETATM 0 H31 ATT A 174 -11.630 2.521 5.582 1.00 0.00 H new HETATM 0 H10 ATT A 174 -8.824 2.927 12.186 1.00 0.00 H new HETATM 0 H1 ATT A 174 -9.138 1.246 9.919 1.00 0.00 H new HETATM 2660 O HOH A 175 -8.173 15.590 8.612 1.00 0.00 O HETATM 2663 O HOH A 176 3.588 19.010 7.374 1.00 0.00 O CONECT 435 2623 CONECT 969 2622 CONECT 1136 2620 CONECT 1158 2620 CONECT 1245 2621 CONECT 1255 2621 CONECT 1276 2621 CONECT 1297 2621 CONECT 1348 2620 CONECT 1435 2622 CONECT 1442 2622 CONECT 1461 2622 CONECT 1472 2622 CONECT 1479 2622 CONECT 1482 2622 CONECT 1486 2622 CONECT 1508 2620 CONECT 1546 2621 CONECT 1558 2623 CONECT 1572 2621 CONECT 1581 2623 CONECT 1586 2621 CONECT 1849 2619 CONECT 1908 2619 CONECT 2001 2619 CONECT 2619 1849 1908 2001 2636 CONECT 2620 1136 1158 1348 1508 CONECT 2621 1245 1255 1276 1297 CONECT 2621 1546 1572 1586 CONECT 2622 969 1435 1442 1461 CONECT 2622 1472 1479 1482 1486 CONECT 2623 435 1558 1581 CONECT 2624 2625 2640 2643 2646 CONECT 2625 2624 2641 2642 CONECT 2626 2642 2647 2648 2649 CONECT 2627 2628 2645 2650 CONECT 2628 2627 2629 2651 CONECT 2629 2628 2630 2652 CONECT 2630 2629 2644 2653 CONECT 2631 2634 2635 2637 CONECT 2632 2633 2635 2636 CONECT 2633 2632 2634 CONECT 2634 2631 2633 CONECT 2635 2631 2632 CONECT 2636 2619 2632 CONECT 2637 2631 2638 2654 CONECT 2638 2637 2639 2640 CONECT 2639 2638 CONECT 2640 2624 2638 2655 CONECT 2641 2625 CONECT 2642 2625 2626 2656 CONECT 2643 2624 2644 2657 2658 CONECT 2644 2630 2643 2645 CONECT 2645 2627 2644 2659 CONECT 2646 2624 CONECT 2647 2626 CONECT 2648 2626 CONECT 2649 2626 CONECT 2650 2627 CONECT 2651 2628 CONECT 2652 2629 CONECT 2653 2630 CONECT 2654 2637 CONECT 2655 2640 CONECT 2656 2642 CONECT 2657 2643 CONECT 2658 2643 CONECT 2659 2645 END