USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 938 hydrogens (9 hets) HEADER PROTEIN BINDING 03-MAR-03 1OO4 TITLE P395S MUTANT OF THE P85 REGULATORY SUBUNIT OF THE N- TITLE 2 TERMINAL SRC HOMOLOGY 2 DOMAIN OF PI3-KINASE COMPLEXED TO TITLE 3 A PEPTIDE DERIVED FROM PDGFR COMPND MOL_ID: 1; COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY ALPHA COMPND 3 SUBUNIT; COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: P85 N-SH2; COMPND 6 SYNONYM: PI3-KINASE P85-ALPHA SUBUNIT; COMPND 7 ENGINEERED: YES; COMPND 8 MUTATION: YES; COMPND 9 MOL_ID: 2; COMPND 0 MOLECULE: 8-MER PEPTIDE FROM PDGFR; COMPND 1 CHAIN: B; COMPND 2 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 MOL_ID: 2; SOURCE 9 SYNTHETIC: YES; SOURCE 0 OTHER_DETAILS: CHEMICALLY SYNTHESIZED KEYWDS SRC HOMOLOGY 2 DOMAIN P85 REGULATORY SUBUNIT MUTANT, PDGFR KEYWDS 2 COMPLEX, PROTEIN BINDING EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR U.L.GUENTHER,B.WEYRAUCH,B.SCHAFFHAUSEN REVDAT 4 24-FEB-09 1OO4 1 VERSN REVDAT 3 19-JUL-05 1OO4 1 REMARK REVDAT 2 03-MAY-05 1OO4 1 JRNL ATOM REVDAT 1 25-MAR-03 1OO4 0 JRNL AUTH U.L.GUENTHER,B.WEYRAUCH,X.ZHANG,B.SCHAFFHAUSEN JRNL TITL NUCLEAR MAGNETIC RESONANCE STRUCTURE OF THE P395S JRNL TITL 2 MUTANT OF THE N-SH2 DOMAIN OF THE P85 SUBUNIT OF JRNL TITL 3 PI3 KINASE: AN SH2 DOMAIN WITH ALTERED SPECIFICITY JRNL REF BIOCHEMISTRY V. 42 11120 2003 JRNL REFN ISSN 0006-2960 JRNL PMID 14503862 JRNL DOI 10.1021/BI034353X REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER 97.0 REMARK 3 AUTHORS : MSI INC. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 1022 NOE-DERIVED DISTANCE REMARK 3 CONSTRAINTS, 91 DIHEDRAL ANGLE RESTRAINTS, 37 NOE-DERIVED REMARK 3 DISTANCE CONSTRAINTS FOR THE PEPTIDE LIGAND FROM 13C{F1}- REMARK 3 FILTERED 2D-NOESY REMARK 4 REMARK 4 1OO4 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 17-MAR-03. REMARK 100 THE RCSB ID CODE IS RCSB018491. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.8 REMARK 210 IONIC STRENGTH : 0.1M KCL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.5MM P395S-15N, 13C, 0.1M KCL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, HNCA, REMARK 210 HN(CO)CA, HCC(CO)NH REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 800 MHZ REMARK 210 SPECTROMETER MODEL : AMX, DMX, DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA 1.5, XWINNMR 2.5, REMARK 210 PRONTO 3D 19990506, TALOS REMARK 210 1999.019.15.47, NMR2ST 1.1 REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL 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: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY. 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 GLU A 12 CD GLU A 12 OE2 0.114 REMARK 500 GLU A 21 CD GLU A 21 OE2 0.113 REMARK 500 GLU A 22 CD GLU A 22 OE2 0.111 REMARK 500 GLU A 25 CD GLU A 25 OE2 0.111 REMARK 500 GLU A 83 CD GLU A 83 OE2 0.113 REMARK 500 GLU A 91 CD GLU A 91 OE2 0.110 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 TRP A 15 CD1 - NE1 - CE2 ANGL. DEV. = -5.5 DEGREES REMARK 500 ASP A 17 CB - CG - OD1 ANGL. DEV. = 5.6 DEGREES REMARK 500 ASP A 17 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES REMARK 500 ARG A 20 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES REMARK 500 ARG A 20 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES REMARK 500 ARG A 28 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES REMARK 500 ARG A 28 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES REMARK 500 ASP A 29 CB - CG - OD2 ANGL. DEV. = -5.6 DEGREES REMARK 500 ASP A 32 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 ARG A 38 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES REMARK 500 ARG A 38 NE - CZ - NH2 ANGL. DEV. = -3.7 DEGREES REMARK 500 ASP A 39 CB - CG - OD1 ANGL. DEV. = 5.4 DEGREES REMARK 500 ASP A 39 CB - CG - OD2 ANGL. DEV. = -6.3 DEGREES REMARK 500 HIS A 45 ND1 - CE1 - NE2 ANGL. DEV. = 8.4 DEGREES REMARK 500 ASP A 47 CB - CG - OD1 ANGL. DEV. = 5.4 DEGREES REMARK 500 ASP A 47 CB - CG - OD2 ANGL. DEV. = -6.3 DEGREES REMARK 500 ARG A 53 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES REMARK 500 HIS A 65 ND1 - CE1 - NE2 ANGL. DEV. = 8.5 DEGREES REMARK 500 ARG A 66 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES REMARK 500 ASP A 67 CB - CG - OD1 ANGL. DEV. = 5.6 DEGREES REMARK 500 ASP A 67 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES REMARK 500 ASP A 74 CB - CG - OD2 ANGL. DEV. = -5.6 DEGREES REMARK 500 HIS A 87 ND1 - CE1 - NE2 ANGL. DEV. = 8.5 DEGREES REMARK 500 ARG A 89 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES REMARK 500 ARG A 89 NE - CZ - NH2 ANGL. DEV. = -3.7 DEGREES REMARK 500 TYR A 96 CB - CG - CD2 ANGL. DEV. = -3.7 DEGREES REMARK 500 ASP A 101 CB - CG - OD2 ANGL. DEV. = -5.7 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 MET A 2 -70.77 -159.50 REMARK 500 ASN A 5 -46.43 -147.81 REMARK 500 MET A 6 74.51 68.98 REMARK 500 SER A 7 88.65 -166.03 REMARK 500 LEU A 8 -73.54 -168.09 REMARK 500 ASP A 10 75.40 -119.33 REMARK 500 ALA A 11 -108.02 -92.87 REMARK 500 GLU A 12 -76.51 -94.94 REMARK 500 LEU A 27 -107.71 -160.39 REMARK 500 THR A 42 -68.28 -154.21 REMARK 500 MET A 44 -102.16 62.84 REMARK 500 TYR A 48 63.55 -110.25 REMARK 500 ILE A 63 -99.04 -104.14 REMARK 500 PHE A 64 127.85 97.11 REMARK 500 HIS A 65 95.55 -67.98 REMARK 500 LYS A 69 79.35 74.34 REMARK 500 PHE A 72 89.65 -69.70 REMARK 500 SER A 73 75.96 -102.28 REMARK 500 ASP A 74 -76.37 -118.61 REMARK 500 GLU A 91 -89.77 -150.63 REMARK 500 ASN A 97 -61.87 167.67 REMARK 500 LEU A 105 -78.48 -94.41 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 ARG A 53 0.12 SIDE_CHAIN REMARK 500 TYR A 96 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1OO3 RELATED DB: PDB REMARK 900 P395S MUTANT OF THE P85 REGULATORY SUBUNIT OF THE N- REMARK 900 TERMINAL SRC HOMOLOGY 2 DOMAIN OF PI3-KINASE DBREF 1OO4 A 1 111 UNP P23727 P85A_BOVIN 321 431 DBREF 1OO4 B 182 189 PDB 1OO4 1OO4 182 189 SEQADV 1OO4 SER A 60 UNP P23727 LEU 380 CONFLICT SEQADV 1OO4 SER A 75 UNP P23727 PRO 395 ENGINEERED SEQRES 1 A 111 GLY MET ASN ASN ASN MET SER LEU GLN ASP ALA GLU TRP SEQRES 2 A 111 TYR TRP GLY ASP ILE SER ARG GLU GLU VAL ASN GLU LYS SEQRES 3 A 111 LEU ARG ASP THR ALA ASP GLY THR PHE LEU VAL ARG ASP SEQRES 4 A 111 ALA SER THR LYS MET HIS GLY ASP TYR THR LEU THR LEU SEQRES 5 A 111 ARG LYS GLY GLY ASN ASN LYS SER ILE LYS ILE PHE HIS SEQRES 6 A 111 ARG ASP GLY LYS TYR GLY PHE SER ASP SER LEU THR PHE SEQRES 7 A 111 ASN SER VAL VAL GLU LEU ILE ASN HIS TYR ARG ASN GLU SEQRES 8 A 111 SER LEU ALA GLN TYR ASN PRO LYS LEU ASP VAL LYS LEU SEQRES 9 A 111 LEU TYR PRO VAL SER LYS TYR SEQRES 1 B 8 SER VAL ASP PTR VAL PRO MET LEU MODRES 1OO4 PTR B 185 TYR O-PHOSPHOTYROSINE HET PTR B 185 25 HETNAM PTR O-PHOSPHOTYROSINE HETSYN PTR PHOSPHONOTYROSINE FORMUL 2 PTR C9 H12 N O6 P HELIX 1 1 SER A 19 GLU A 25 1 7 HELIX 2 2 SER A 80 ASN A 90 1 11 HELIX 3 3 SER A 92 TYR A 96 5 5 SHEET 1 A 3 ASP A 32 ALA A 40 0 SHEET 2 A 3 GLY A 46 LYS A 54 -1 O THR A 51 N LEU A 36 SHEET 3 A 3 ASN A 58 LYS A 62 -1 O ILE A 61 N LEU A 50 LINK C ASP B 184 N PTR B 185 1555 1555 1.35 LINK C PTR B 185 N VAL B 186 1555 1555 1.35 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: B 185 PTR HN2 : B 185 PTR N : B 184 ASP C :(H bumps) USER MOD Set 1.1: A 70 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 87 HIS : no HD1:sc= 0 X(o=0,f=0.44) USER MOD Set 2.1: A 51 THR OG1 : rot -89:sc= 1.11 USER MOD Set 2.2: A 60 SER OG : rot 140:sc= 1.9 USER MOD Set 3.1: A 41 SER OG : rot -45:sc= 1.26 USER MOD Set 3.2: A 45 HIS : no HD1:sc= -0.0914 K(o=1.2,f=0.42) USER MOD Set 4.1: A 1 GLY N :NH3+ 138:sc= 1.08 (180deg=0.162) USER MOD Set 4.2: A 65 HIS : no HE2:sc= 0.0068 K(o=1.1,f=-1.9!) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0.543 K(o=0.54,f=-3.7!) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= 1.16 K(o=1.2,f=-6.9!) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 11:sc= 1.13 USER MOD Single : A 9 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.066) USER MOD Single : A 14 TYR OH : rot 30:sc= 0 USER MOD Single : A 19 SER OG : rot 65:sc= 0.304 USER MOD Single : A 24 ASN : amide:sc= 1.29 K(o=1.3,f=-4.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 37:sc= 1.09 USER MOD Single : A 42 THR OG1 : rot -14:sc= 1.13 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.738 K(o=0.74,f=-0.19) USER MOD Single : A 58 ASN : amide:sc= -0.147 K(o=-0.15,f=-3!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 49:sc= 1.27 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.0228 X(o=0.023,f=-0.17) USER MOD Single : A 80 SER OG : rot 17:sc= 0.761 USER MOD Single : A 86 ASN : amide:sc= 0.891 K(o=0.89,f=-6!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.0933 X(o=0.093,f=0) USER MOD Single : A 92 SER OG : rot 21:sc= 1.01 USER MOD Single : A 95 GLN : amide:sc= 0.13 X(o=0.13,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00304) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 32:sc= 0.813 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : B 182 SER OG : rot 33:sc= 0.0175 USER MOD Single : B 188 MET CE :methyl 172:sc=-0.00317 (180deg=-0.0551) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.620 -0.721 -2.179 1.00 0.00 N ATOM 2 CA GLY A 1 3.494 0.422 -1.808 1.00 0.00 C ATOM 3 C GLY A 1 4.548 0.172 -0.711 1.00 0.00 C ATOM 4 O GLY A 1 4.647 0.957 0.234 1.00 0.00 O ATOM 0 H1 GLY A 1 1.642 -0.386 -2.297 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.954 -1.138 -3.072 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.651 -1.440 -1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.013 0.756 -2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.856 1.244 -1.484 1.00 0.00 H new ATOM 8 N MET A 2 5.351 -0.890 -0.862 1.00 0.00 N ATOM 9 CA MET A 2 6.573 -1.139 -0.039 1.00 0.00 C ATOM 10 C MET A 2 7.501 -2.129 -0.815 1.00 0.00 C ATOM 11 O MET A 2 8.545 -1.721 -1.328 1.00 0.00 O ATOM 12 CB MET A 2 6.227 -1.556 1.426 1.00 0.00 C ATOM 13 CG MET A 2 7.424 -1.640 2.395 1.00 0.00 C ATOM 14 SD MET A 2 8.377 -3.147 2.105 1.00 0.00 S ATOM 15 CE MET A 2 10.055 -2.546 2.355 1.00 0.00 C ATOM 0 H MET A 2 5.181 -1.614 -1.560 1.00 0.00 H new ATOM 0 HA MET A 2 7.134 -0.215 0.099 1.00 0.00 H new ATOM 0 HB2 MET A 2 5.507 -0.843 1.827 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.734 -2.528 1.401 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.065 -0.768 2.265 1.00 0.00 H new ATOM 0 HG3 MET A 2 7.067 -1.622 3.425 1.00 0.00 H new ATOM 0 HE1 MET A 2 10.760 -3.364 2.210 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.268 -1.752 1.639 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.155 -2.157 3.368 1.00 0.00 H new ATOM 25 N ASN A 3 7.106 -3.413 -0.926 1.00 0.00 N ATOM 26 CA ASN A 3 7.722 -4.386 -1.873 1.00 0.00 C ATOM 27 C ASN A 3 6.765 -4.644 -3.100 1.00 0.00 C ATOM 28 O ASN A 3 5.659 -4.092 -3.196 1.00 0.00 O ATOM 29 CB ASN A 3 8.093 -5.632 -1.008 1.00 0.00 C ATOM 30 CG ASN A 3 9.079 -6.640 -1.618 1.00 0.00 C ATOM 31 OD1 ASN A 3 9.509 -6.558 -2.765 1.00 0.00 O ATOM 32 ND2 ASN A 3 9.474 -7.639 -0.867 1.00 0.00 N ATOM 0 H ASN A 3 6.353 -3.812 -0.366 1.00 0.00 H new ATOM 0 HA ASN A 3 8.633 -4.026 -2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 3 8.512 -5.277 -0.066 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.172 -6.163 -0.768 1.00 0.00 H new ATOM 0 HD21 ASN A 3 10.126 -8.329 -1.239 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.129 -7.726 0.089 1.00 0.00 H new ATOM 39 N ASN A 4 7.191 -5.484 -4.062 1.00 0.00 N ATOM 40 CA ASN A 4 6.438 -5.738 -5.326 1.00 0.00 C ATOM 41 C ASN A 4 5.191 -6.680 -5.142 1.00 0.00 C ATOM 42 O ASN A 4 5.175 -7.843 -5.557 1.00 0.00 O ATOM 43 CB ASN A 4 7.483 -6.231 -6.367 1.00 0.00 C ATOM 44 CG ASN A 4 7.020 -6.163 -7.825 1.00 0.00 C ATOM 45 OD1 ASN A 4 7.186 -5.160 -8.509 1.00 0.00 O ATOM 46 ND2 ASN A 4 6.421 -7.205 -8.345 1.00 0.00 N ATOM 0 H ASN A 4 8.063 -6.009 -3.995 1.00 0.00 H new ATOM 0 HA ASN A 4 5.967 -4.824 -5.687 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.390 -5.635 -6.260 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.749 -7.262 -6.133 1.00 0.00 H new ATOM 0 HD21 ASN A 4 6.097 -7.177 -9.312 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.278 -8.044 -7.783 1.00 0.00 H new ATOM 53 N ASN A 5 4.136 -6.128 -4.523 1.00 0.00 N ATOM 54 CA ASN A 5 2.840 -6.826 -4.283 1.00 0.00 C ATOM 55 C ASN A 5 1.608 -5.851 -4.313 1.00 0.00 C ATOM 56 O ASN A 5 0.620 -6.176 -4.973 1.00 0.00 O ATOM 57 CB ASN A 5 2.964 -7.679 -2.986 1.00 0.00 C ATOM 58 CG ASN A 5 1.842 -8.687 -2.724 1.00 0.00 C ATOM 59 OD1 ASN A 5 1.080 -8.564 -1.771 1.00 0.00 O ATOM 60 ND2 ASN A 5 1.715 -9.725 -3.516 1.00 0.00 N ATOM 0 H ASN A 5 4.148 -5.172 -4.166 1.00 0.00 H new ATOM 0 HA ASN A 5 2.632 -7.509 -5.107 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.909 -8.221 -3.023 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.019 -7.000 -2.135 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.989 -10.418 -3.336 1.00 0.00 H new ATOM 0 HD22 ASN A 5 2.342 -9.839 -4.312 1.00 0.00 H new ATOM 67 N MET A 6 1.656 -4.677 -3.638 1.00 0.00 N ATOM 68 CA MET A 6 0.689 -3.550 -3.844 1.00 0.00 C ATOM 69 C MET A 6 -0.775 -3.825 -3.354 1.00 0.00 C ATOM 70 O MET A 6 -1.689 -4.018 -4.163 1.00 0.00 O ATOM 71 CB MET A 6 0.755 -2.951 -5.288 1.00 0.00 C ATOM 72 CG MET A 6 2.013 -2.133 -5.661 1.00 0.00 C ATOM 73 SD MET A 6 3.515 -3.131 -5.742 1.00 0.00 S ATOM 74 CE MET A 6 3.343 -3.897 -7.366 1.00 0.00 C ATOM 0 H MET A 6 2.364 -4.476 -2.932 1.00 0.00 H new ATOM 0 HA MET A 6 1.041 -2.771 -3.167 1.00 0.00 H new ATOM 0 HB2 MET A 6 0.665 -3.773 -5.998 1.00 0.00 H new ATOM 0 HB3 MET A 6 -0.117 -2.312 -5.428 1.00 0.00 H new ATOM 0 HG2 MET A 6 1.852 -1.652 -6.626 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.152 -1.339 -4.928 1.00 0.00 H new ATOM 0 HE1 MET A 6 4.200 -4.544 -7.556 1.00 0.00 H new ATOM 0 HE2 MET A 6 2.428 -4.489 -7.394 1.00 0.00 H new ATOM 0 HE3 MET A 6 3.297 -3.122 -8.131 1.00 0.00 H new ATOM 84 N SER A 7 -1.016 -3.809 -2.026 1.00 0.00 N ATOM 85 CA SER A 7 -2.392 -3.797 -1.441 1.00 0.00 C ATOM 86 C SER A 7 -2.354 -3.428 0.077 1.00 0.00 C ATOM 87 O SER A 7 -2.299 -4.306 0.946 1.00 0.00 O ATOM 88 CB SER A 7 -3.194 -5.105 -1.694 1.00 0.00 C ATOM 89 OG SER A 7 -3.576 -5.218 -3.063 1.00 0.00 O ATOM 0 H SER A 7 -0.274 -3.804 -1.326 1.00 0.00 H new ATOM 0 HA SER A 7 -2.938 -3.017 -1.972 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.589 -5.966 -1.410 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.083 -5.118 -1.063 1.00 0.00 H new ATOM 0 HG SER A 7 -3.113 -4.533 -3.589 1.00 0.00 H new ATOM 95 N LEU A 8 -2.420 -2.117 0.386 1.00 0.00 N ATOM 96 CA LEU A 8 -2.904 -1.600 1.706 1.00 0.00 C ATOM 97 C LEU A 8 -3.131 -0.059 1.609 1.00 0.00 C ATOM 98 O LEU A 8 -4.275 0.389 1.510 1.00 0.00 O ATOM 99 CB LEU A 8 -2.070 -2.025 2.959 1.00 0.00 C ATOM 100 CG LEU A 8 -2.836 -2.217 4.292 1.00 0.00 C ATOM 101 CD1 LEU A 8 -3.637 -0.991 4.734 1.00 0.00 C ATOM 102 CD2 LEU A 8 -3.724 -3.470 4.267 1.00 0.00 C ATOM 0 H LEU A 8 -2.143 -1.380 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.856 -2.096 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.562 -2.960 2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.297 -1.274 3.120 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.059 -2.357 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.143 -1.207 5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.963 -0.146 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.377 -0.745 3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.243 -3.567 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.455 -3.382 3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.105 -4.351 4.099 1.00 0.00 H new ATOM 114 N GLN A 9 -2.049 0.746 1.572 1.00 0.00 N ATOM 115 CA GLN A 9 -2.105 2.155 1.070 1.00 0.00 C ATOM 116 C GLN A 9 -2.656 2.350 -0.383 1.00 0.00 C ATOM 117 O GLN A 9 -3.346 3.330 -0.656 1.00 0.00 O ATOM 118 CB GLN A 9 -0.720 2.830 1.280 1.00 0.00 C ATOM 119 CG GLN A 9 0.469 2.390 0.368 1.00 0.00 C ATOM 120 CD GLN A 9 1.019 3.386 -0.662 1.00 0.00 C ATOM 121 OE1 GLN A 9 2.207 3.678 -0.697 1.00 0.00 O ATOM 122 NE2 GLN A 9 0.220 3.905 -1.562 1.00 0.00 N ATOM 0 H GLN A 9 -1.122 0.454 1.881 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.862 2.658 1.671 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.853 3.905 1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.423 2.663 2.315 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.294 2.099 1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.158 1.496 -0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.774 3.677 -1.554 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.592 4.537 -2.271 1.00 0.00 H new ATOM 131 N ASP A 10 -2.336 1.414 -1.290 1.00 0.00 N ATOM 132 CA ASP A 10 -2.896 1.319 -2.648 1.00 0.00 C ATOM 133 C ASP A 10 -3.636 -0.047 -2.824 1.00 0.00 C ATOM 134 O ASP A 10 -3.119 -0.976 -3.450 1.00 0.00 O ATOM 135 CB ASP A 10 -1.732 1.604 -3.634 1.00 0.00 C ATOM 136 CG ASP A 10 -0.489 0.700 -3.721 1.00 0.00 C ATOM 137 OD1 ASP A 10 -0.020 0.310 -4.783 1.00 0.00 O ATOM 138 OD2 ASP A 10 0.070 0.430 -2.506 1.00 0.00 O ATOM 0 H ASP A 10 -1.658 0.678 -1.092 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.671 2.057 -2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.168 1.634 -4.633 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.373 2.609 -3.413 1.00 0.00 H new ATOM 144 N ALA A 11 -4.843 -0.173 -2.236 1.00 0.00 N ATOM 145 CA ALA A 11 -5.664 -1.411 -2.318 1.00 0.00 C ATOM 146 C ALA A 11 -6.678 -1.367 -3.511 1.00 0.00 C ATOM 147 O ALA A 11 -6.246 -1.489 -4.659 1.00 0.00 O ATOM 148 CB ALA A 11 -6.212 -1.648 -0.892 1.00 0.00 C ATOM 0 H ALA A 11 -5.279 0.572 -1.693 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.097 -2.301 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.827 -2.548 -0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.380 -1.771 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.816 -0.793 -0.587 1.00 0.00 H new ATOM 154 N GLU A 12 -7.998 -1.216 -3.279 1.00 0.00 N ATOM 155 CA GLU A 12 -9.025 -1.270 -4.365 1.00 0.00 C ATOM 156 C GLU A 12 -9.359 0.171 -4.870 1.00 0.00 C ATOM 157 O GLU A 12 -8.854 0.592 -5.912 1.00 0.00 O ATOM 158 CB GLU A 12 -10.261 -2.108 -3.905 1.00 0.00 C ATOM 159 CG GLU A 12 -10.039 -3.621 -3.626 1.00 0.00 C ATOM 160 CD GLU A 12 -9.371 -3.977 -2.289 1.00 0.00 C ATOM 161 OE1 GLU A 12 -9.355 -3.236 -1.308 1.00 0.00 O ATOM 162 OE2 GLU A 12 -8.801 -5.218 -2.320 1.00 0.00 O ATOM 0 H GLU A 12 -8.389 -1.055 -2.351 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.629 -1.795 -5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.657 -1.653 -2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.033 -2.017 -4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.006 -4.122 -3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.431 -4.032 -4.432 1.00 0.00 H new ATOM 170 N TRP A 13 -10.151 0.954 -4.115 1.00 0.00 N ATOM 171 CA TRP A 13 -10.329 2.416 -4.335 1.00 0.00 C ATOM 172 C TRP A 13 -9.202 3.374 -3.807 1.00 0.00 C ATOM 173 O TRP A 13 -9.386 4.596 -3.858 1.00 0.00 O ATOM 174 CB TRP A 13 -11.722 2.783 -3.741 1.00 0.00 C ATOM 175 CG TRP A 13 -11.983 2.520 -2.245 1.00 0.00 C ATOM 176 CD1 TRP A 13 -11.718 3.404 -1.177 1.00 0.00 C ATOM 177 CD2 TRP A 13 -12.592 1.418 -1.675 1.00 0.00 C ATOM 178 NE1 TRP A 13 -12.159 2.880 0.054 1.00 0.00 N ATOM 179 CE2 TRP A 13 -12.703 1.650 -0.282 1.00 0.00 C ATOM 180 CE3 TRP A 13 -13.114 0.229 -2.251 1.00 0.00 C ATOM 181 CZ2 TRP A 13 -13.348 0.699 0.542 1.00 0.00 C ATOM 182 CZ3 TRP A 13 -13.729 -0.701 -1.412 1.00 0.00 C ATOM 183 CH2 TRP A 13 -13.847 -0.469 -0.037 1.00 0.00 C ATOM 0 H TRP A 13 -10.692 0.596 -3.328 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.258 2.585 -5.409 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -11.890 3.844 -3.924 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -12.477 2.239 -4.309 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -11.236 4.364 -1.290 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -12.093 3.307 0.978 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -13.037 0.049 -3.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -13.453 0.874 1.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -14.121 -1.616 -1.831 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -14.332 -1.206 0.586 1.00 0.00 H new ATOM 194 N TYR A 14 -8.058 2.874 -3.288 1.00 0.00 N ATOM 195 CA TYR A 14 -7.114 3.697 -2.500 1.00 0.00 C ATOM 196 C TYR A 14 -6.087 4.440 -3.416 1.00 0.00 C ATOM 197 O TYR A 14 -4.943 4.020 -3.595 1.00 0.00 O ATOM 198 CB TYR A 14 -6.490 2.912 -1.305 1.00 0.00 C ATOM 199 CG TYR A 14 -7.317 2.324 -0.130 1.00 0.00 C ATOM 200 CD1 TYR A 14 -8.518 1.622 -0.301 1.00 0.00 C ATOM 201 CD2 TYR A 14 -6.793 2.453 1.165 1.00 0.00 C ATOM 202 CE1 TYR A 14 -9.198 1.102 0.799 1.00 0.00 C ATOM 203 CE2 TYR A 14 -7.476 1.935 2.263 1.00 0.00 C ATOM 204 CZ TYR A 14 -8.684 1.272 2.080 1.00 0.00 C ATOM 205 OH TYR A 14 -9.373 0.791 3.162 1.00 0.00 O ATOM 0 H TYR A 14 -7.766 1.903 -3.401 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.684 4.493 -2.020 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.943 2.076 -1.741 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.752 3.576 -0.856 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.920 1.483 -1.294 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.850 2.959 1.312 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.125 0.567 0.656 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.067 2.048 3.256 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.887 -0.000 2.897 1.00 0.00 H new ATOM 215 N TRP A 15 -6.545 5.567 -3.991 1.00 0.00 N ATOM 216 CA TRP A 15 -5.787 6.335 -5.011 1.00 0.00 C ATOM 217 C TRP A 15 -4.830 7.442 -4.457 1.00 0.00 C ATOM 218 O TRP A 15 -3.626 7.365 -4.717 1.00 0.00 O ATOM 219 CB TRP A 15 -6.774 6.782 -6.134 1.00 0.00 C ATOM 220 CG TRP A 15 -7.823 7.893 -5.883 1.00 0.00 C ATOM 221 CD1 TRP A 15 -8.669 8.069 -4.757 1.00 0.00 C ATOM 222 CD2 TRP A 15 -8.168 8.915 -6.753 1.00 0.00 C ATOM 223 NE1 TRP A 15 -9.512 9.192 -4.893 1.00 0.00 N ATOM 224 CE2 TRP A 15 -9.191 9.686 -6.144 1.00 0.00 C ATOM 225 CE3 TRP A 15 -7.687 9.258 -8.046 1.00 0.00 C ATOM 226 CZ2 TRP A 15 -9.737 10.796 -6.821 1.00 0.00 C ATOM 227 CZ3 TRP A 15 -8.235 10.370 -8.688 1.00 0.00 C ATOM 228 CH2 TRP A 15 -9.245 11.128 -8.085 1.00 0.00 C ATOM 0 H TRP A 15 -7.452 5.976 -3.765 1.00 0.00 H new ATOM 0 HA TRP A 15 -5.047 5.671 -5.458 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.168 7.102 -6.982 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.321 5.893 -6.450 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.668 7.418 -3.895 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -10.195 9.553 -4.227 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.915 8.671 -8.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -10.524 11.381 -6.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -7.873 10.650 -9.666 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -9.650 11.983 -8.605 1.00 0.00 H new ATOM 239 N GLY A 16 -5.324 8.482 -3.753 1.00 0.00 N ATOM 240 CA GLY A 16 -4.501 9.669 -3.396 1.00 0.00 C ATOM 241 C GLY A 16 -4.119 10.631 -4.543 1.00 0.00 C ATOM 242 O GLY A 16 -2.963 11.040 -4.643 1.00 0.00 O ATOM 0 H GLY A 16 -6.286 8.529 -3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.041 10.240 -2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.581 9.315 -2.931 1.00 0.00 H new ATOM 246 N ASP A 17 -5.104 11.047 -5.353 1.00 0.00 N ATOM 247 CA ASP A 17 -4.960 12.201 -6.291 1.00 0.00 C ATOM 248 C ASP A 17 -6.203 13.155 -6.192 1.00 0.00 C ATOM 249 O ASP A 17 -6.925 13.418 -7.157 1.00 0.00 O ATOM 250 CB ASP A 17 -4.636 11.635 -7.700 1.00 0.00 C ATOM 251 CG ASP A 17 -4.235 12.684 -8.737 1.00 0.00 C ATOM 252 OD1 ASP A 17 -3.334 13.500 -8.572 1.00 0.00 O ATOM 253 OD2 ASP A 17 -4.988 12.610 -9.868 1.00 0.00 O ATOM 0 H ASP A 17 -6.023 10.605 -5.386 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.126 12.851 -6.025 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.828 10.909 -7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.508 11.095 -8.069 1.00 0.00 H new ATOM 259 N ILE A 18 -6.401 13.698 -4.983 1.00 0.00 N ATOM 260 CA ILE A 18 -7.516 14.619 -4.632 1.00 0.00 C ATOM 261 C ILE A 18 -6.979 15.521 -3.485 1.00 0.00 C ATOM 262 O ILE A 18 -6.607 15.049 -2.405 1.00 0.00 O ATOM 263 CB ILE A 18 -8.886 13.959 -4.212 1.00 0.00 C ATOM 264 CG1 ILE A 18 -8.777 12.524 -3.626 1.00 0.00 C ATOM 265 CG2 ILE A 18 -9.889 14.019 -5.382 1.00 0.00 C ATOM 266 CD1 ILE A 18 -9.908 12.088 -2.686 1.00 0.00 C ATOM 0 H ILE A 18 -5.781 13.511 -4.195 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.783 15.159 -5.540 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.256 14.558 -3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.730 11.818 -4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.833 12.445 -3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -10.830 13.560 -5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.065 15.059 -5.658 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.482 13.480 -6.238 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.723 11.071 -2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.948 12.760 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.858 12.123 -3.219 1.00 0.00 H new ATOM 278 N SER A 19 -6.955 16.829 -3.748 1.00 0.00 N ATOM 279 CA SER A 19 -6.486 17.860 -2.786 1.00 0.00 C ATOM 280 C SER A 19 -7.631 18.714 -2.166 1.00 0.00 C ATOM 281 O SER A 19 -8.809 18.367 -2.250 1.00 0.00 O ATOM 282 CB SER A 19 -5.309 18.604 -3.472 1.00 0.00 C ATOM 283 OG SER A 19 -4.662 19.502 -2.570 1.00 0.00 O ATOM 0 H SER A 19 -7.261 17.218 -4.640 1.00 0.00 H new ATOM 0 HA SER A 19 -6.098 17.417 -1.869 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.587 17.878 -3.846 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.680 19.157 -4.335 1.00 0.00 H new ATOM 0 HG SER A 19 -4.241 18.992 -1.847 1.00 0.00 H new ATOM 289 N ARG A 20 -7.279 19.775 -1.425 1.00 0.00 N ATOM 290 CA ARG A 20 -8.173 20.386 -0.393 1.00 0.00 C ATOM 291 C ARG A 20 -9.542 20.929 -0.915 1.00 0.00 C ATOM 292 O ARG A 20 -10.602 20.550 -0.411 1.00 0.00 O ATOM 293 CB ARG A 20 -7.460 21.473 0.480 1.00 0.00 C ATOM 294 CG ARG A 20 -5.919 21.484 0.703 1.00 0.00 C ATOM 295 CD ARG A 20 -5.324 22.891 0.930 1.00 0.00 C ATOM 296 NE ARG A 20 -5.640 23.413 2.285 1.00 0.00 N ATOM 297 CZ ARG A 20 -5.327 24.614 2.750 1.00 0.00 C ATOM 298 NH1 ARG A 20 -4.723 25.540 2.047 1.00 0.00 N ATOM 299 NH2 ARG A 20 -5.649 24.871 3.985 1.00 0.00 N ATOM 0 H ARG A 20 -6.376 20.241 -1.512 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.412 19.530 0.238 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.720 22.440 0.049 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.918 21.430 1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.683 20.858 1.564 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.434 21.032 -0.162 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.243 22.854 0.798 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.714 23.576 0.177 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.144 22.789 2.915 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.464 25.357 1.078 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.512 26.444 2.469 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.120 24.162 4.547 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.430 25.781 4.390 1.00 0.00 H new ATOM 312 N GLU A 21 -9.507 21.795 -1.935 1.00 0.00 N ATOM 313 CA GLU A 21 -10.740 22.287 -2.616 1.00 0.00 C ATOM 314 C GLU A 21 -11.509 21.230 -3.473 1.00 0.00 C ATOM 315 O GLU A 21 -12.737 21.160 -3.405 1.00 0.00 O ATOM 316 CB GLU A 21 -10.406 23.600 -3.382 1.00 0.00 C ATOM 317 CG GLU A 21 -9.419 23.502 -4.581 1.00 0.00 C ATOM 318 CD GLU A 21 -9.326 24.765 -5.434 1.00 0.00 C ATOM 319 OE1 GLU A 21 -9.755 24.836 -6.581 1.00 0.00 O ATOM 320 OE2 GLU A 21 -8.702 25.786 -4.777 1.00 0.00 O ATOM 0 H GLU A 21 -8.642 22.178 -2.317 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.472 22.503 -1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.341 24.022 -3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.995 24.312 -2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.426 23.264 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.723 22.671 -5.218 1.00 0.00 H new ATOM 328 N GLU A 22 -10.789 20.398 -4.240 1.00 0.00 N ATOM 329 CA GLU A 22 -11.386 19.311 -5.065 1.00 0.00 C ATOM 330 C GLU A 22 -11.974 18.103 -4.266 1.00 0.00 C ATOM 331 O GLU A 22 -13.013 17.585 -4.678 1.00 0.00 O ATOM 332 CB GLU A 22 -10.387 18.900 -6.187 1.00 0.00 C ATOM 333 CG GLU A 22 -8.898 18.710 -5.789 1.00 0.00 C ATOM 334 CD GLU A 22 -7.997 19.924 -6.033 1.00 0.00 C ATOM 335 OE1 GLU A 22 -7.513 20.208 -7.122 1.00 0.00 O ATOM 336 OE2 GLU A 22 -7.772 20.649 -4.901 1.00 0.00 O ATOM 0 H GLU A 22 -9.773 20.451 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.282 19.724 -5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.739 17.966 -6.625 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.432 19.657 -6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.852 18.450 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.496 17.862 -6.343 1.00 0.00 H new ATOM 344 N VAL A 23 -11.405 17.698 -3.107 1.00 0.00 N ATOM 345 CA VAL A 23 -12.123 16.849 -2.110 1.00 0.00 C ATOM 346 C VAL A 23 -13.412 17.546 -1.538 1.00 0.00 C ATOM 347 O VAL A 23 -14.492 16.987 -1.723 1.00 0.00 O ATOM 348 CB VAL A 23 -11.118 16.209 -1.081 1.00 0.00 C ATOM 349 CG1 VAL A 23 -10.690 17.086 0.118 1.00 0.00 C ATOM 350 CG2 VAL A 23 -11.616 14.857 -0.532 1.00 0.00 C ATOM 0 H VAL A 23 -10.453 17.941 -2.834 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.553 15.982 -2.611 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.230 16.083 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.998 16.528 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.200 17.988 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.570 17.361 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.886 14.459 0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.570 15.000 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -11.745 14.155 -1.356 1.00 0.00 H new ATOM 360 N ASN A 24 -13.352 18.770 -0.953 1.00 0.00 N ATOM 361 CA ASN A 24 -14.564 19.553 -0.538 1.00 0.00 C ATOM 362 C ASN A 24 -15.762 19.678 -1.543 1.00 0.00 C ATOM 363 O ASN A 24 -16.913 19.574 -1.108 1.00 0.00 O ATOM 364 CB ASN A 24 -14.104 20.970 -0.130 1.00 0.00 C ATOM 365 CG ASN A 24 -13.634 21.156 1.315 1.00 0.00 C ATOM 366 OD1 ASN A 24 -14.406 21.051 2.262 1.00 0.00 O ATOM 367 ND2 ASN A 24 -12.390 21.480 1.545 1.00 0.00 N ATOM 0 H ASN A 24 -12.473 19.246 -0.753 1.00 0.00 H new ATOM 0 HA ASN A 24 -14.988 18.962 0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -13.291 21.266 -0.792 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -14.929 21.659 -0.310 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -12.073 21.642 2.501 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.735 21.571 0.769 1.00 0.00 H new ATOM 374 N GLU A 25 -15.506 19.881 -2.852 1.00 0.00 N ATOM 375 CA GLU A 25 -16.558 19.861 -3.918 1.00 0.00 C ATOM 376 C GLU A 25 -17.515 18.616 -4.006 1.00 0.00 C ATOM 377 O GLU A 25 -18.591 18.737 -4.596 1.00 0.00 O ATOM 378 CB GLU A 25 -15.856 20.103 -5.289 1.00 0.00 C ATOM 379 CG GLU A 25 -15.306 21.528 -5.560 1.00 0.00 C ATOM 380 CD GLU A 25 -16.363 22.580 -5.890 1.00 0.00 C ATOM 381 OE1 GLU A 25 -16.782 22.796 -7.022 1.00 0.00 O ATOM 382 OE2 GLU A 25 -16.782 23.263 -4.788 1.00 0.00 O ATOM 0 H GLU A 25 -14.569 20.064 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 25 -17.250 20.654 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.028 19.399 -5.374 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.565 19.858 -6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.749 21.858 -4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.598 21.476 -6.387 1.00 0.00 H new ATOM 390 N LYS A 26 -17.157 17.453 -3.431 1.00 0.00 N ATOM 391 CA LYS A 26 -18.078 16.284 -3.324 1.00 0.00 C ATOM 392 C LYS A 26 -17.868 15.608 -1.928 1.00 0.00 C ATOM 393 O LYS A 26 -17.290 14.520 -1.828 1.00 0.00 O ATOM 394 CB LYS A 26 -17.856 15.374 -4.572 1.00 0.00 C ATOM 395 CG LYS A 26 -19.022 14.435 -4.968 1.00 0.00 C ATOM 396 CD LYS A 26 -19.439 13.441 -3.866 1.00 0.00 C ATOM 397 CE LYS A 26 -20.333 12.272 -4.315 1.00 0.00 C ATOM 398 NZ LYS A 26 -21.707 12.720 -4.627 1.00 0.00 N ATOM 0 H LYS A 26 -16.234 17.288 -3.029 1.00 0.00 H new ATOM 0 HA LYS A 26 -19.133 16.557 -3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -17.632 16.015 -5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.972 14.761 -4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -19.886 15.042 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -18.735 13.874 -5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -18.536 13.029 -3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -19.962 13.993 -3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -19.897 11.798 -5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -20.366 11.517 -3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -22.279 11.904 -4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -22.132 13.150 -3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -21.678 13.422 -5.394 1.00 0.00 H new ATOM 411 N LEU A 27 -18.277 16.283 -0.825 1.00 0.00 N ATOM 412 CA LEU A 27 -17.840 15.885 0.547 1.00 0.00 C ATOM 413 C LEU A 27 -18.776 16.451 1.668 1.00 0.00 C ATOM 414 O LEU A 27 -19.888 15.957 1.857 1.00 0.00 O ATOM 415 CB LEU A 27 -16.320 16.231 0.672 1.00 0.00 C ATOM 416 CG LEU A 27 -15.547 15.704 1.900 1.00 0.00 C ATOM 417 CD1 LEU A 27 -15.270 14.200 1.736 1.00 0.00 C ATOM 418 CD2 LEU A 27 -14.236 16.503 2.030 1.00 0.00 C ATOM 0 H LEU A 27 -18.898 17.092 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 27 -17.943 14.811 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.820 15.857 -0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.224 17.317 0.660 1.00 0.00 H new ATOM 0 HG LEU A 27 -16.136 15.835 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.724 13.834 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.215 13.664 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.674 14.036 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.675 16.144 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.638 16.370 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.466 17.560 2.160 1.00 0.00 H new ATOM 430 N ARG A 28 -18.322 17.449 2.444 1.00 0.00 N ATOM 431 CA ARG A 28 -18.807 17.749 3.826 1.00 0.00 C ATOM 432 C ARG A 28 -20.278 18.216 4.072 1.00 0.00 C ATOM 433 O ARG A 28 -20.728 18.226 5.220 1.00 0.00 O ATOM 434 CB ARG A 28 -17.758 18.677 4.512 1.00 0.00 C ATOM 435 CG ARG A 28 -17.105 19.865 3.751 1.00 0.00 C ATOM 436 CD ARG A 28 -18.058 20.804 2.984 1.00 0.00 C ATOM 437 NE ARG A 28 -17.214 21.825 2.309 1.00 0.00 N ATOM 438 CZ ARG A 28 -17.628 22.776 1.485 1.00 0.00 C ATOM 439 NH1 ARG A 28 -18.876 22.977 1.147 1.00 0.00 N ATOM 440 NH2 ARG A 28 -16.714 23.557 0.983 1.00 0.00 N ATOM 0 H ARG A 28 -17.592 18.090 2.133 1.00 0.00 H new ATOM 0 HA ARG A 28 -18.886 16.766 4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -18.235 19.093 5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -16.946 18.037 4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -16.544 20.462 4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -16.383 19.459 3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -18.645 20.246 2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -18.764 21.277 3.666 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.213 21.790 2.500 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -19.610 22.378 1.526 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.115 23.733 0.505 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.734 23.420 1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.978 24.306 0.343 1.00 0.00 H new ATOM 453 N ASP A 29 -21.027 18.557 3.019 1.00 0.00 N ATOM 454 CA ASP A 29 -22.491 18.811 3.100 1.00 0.00 C ATOM 455 C ASP A 29 -23.369 17.525 3.228 1.00 0.00 C ATOM 456 O ASP A 29 -24.210 17.422 4.122 1.00 0.00 O ATOM 457 CB ASP A 29 -22.863 19.714 1.895 1.00 0.00 C ATOM 458 CG ASP A 29 -22.310 21.140 1.962 1.00 0.00 C ATOM 459 OD1 ASP A 29 -21.218 21.457 1.495 1.00 0.00 O ATOM 460 OD2 ASP A 29 -23.144 21.997 2.621 1.00 0.00 O ATOM 0 H ASP A 29 -20.646 18.668 2.079 1.00 0.00 H new ATOM 0 HA ASP A 29 -22.718 19.324 4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -22.501 19.242 0.981 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -23.949 19.764 1.819 1.00 0.00 H new ATOM 466 N THR A 30 -23.144 16.554 2.343 1.00 0.00 N ATOM 467 CA THR A 30 -23.662 15.162 2.468 1.00 0.00 C ATOM 468 C THR A 30 -22.888 14.224 3.466 1.00 0.00 C ATOM 469 O THR A 30 -23.509 13.343 4.074 1.00 0.00 O ATOM 470 CB THR A 30 -23.738 14.596 1.013 1.00 0.00 C ATOM 471 OG1 THR A 30 -24.237 13.266 1.026 1.00 0.00 O ATOM 472 CG2 THR A 30 -22.415 14.580 0.219 1.00 0.00 C ATOM 0 H THR A 30 -22.589 16.699 1.500 1.00 0.00 H new ATOM 0 HA THR A 30 -24.644 15.192 2.940 1.00 0.00 H new ATOM 0 HB THR A 30 -24.402 15.295 0.504 1.00 0.00 H new ATOM 0 HG1 THR A 30 -24.281 12.924 0.109 1.00 0.00 H new ATOM 0 HG21 THR A 30 -22.592 14.167 -0.774 1.00 0.00 H new ATOM 0 HG22 THR A 30 -22.034 15.597 0.126 1.00 0.00 H new ATOM 0 HG23 THR A 30 -21.684 13.965 0.743 1.00 0.00 H new ATOM 480 N ALA A 31 -21.552 14.360 3.621 1.00 0.00 N ATOM 481 CA ALA A 31 -20.708 13.322 4.258 1.00 0.00 C ATOM 482 C ALA A 31 -20.971 13.085 5.776 1.00 0.00 C ATOM 483 O ALA A 31 -20.801 13.975 6.611 1.00 0.00 O ATOM 484 CB ALA A 31 -19.241 13.704 3.999 1.00 0.00 C ATOM 0 H ALA A 31 -21.033 15.182 3.312 1.00 0.00 H new ATOM 0 HA ALA A 31 -20.967 12.364 3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -18.586 12.961 4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -19.058 13.739 2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.038 14.682 4.434 1.00 0.00 H new ATOM 490 N ASP A 32 -21.388 11.857 6.116 1.00 0.00 N ATOM 491 CA ASP A 32 -21.617 11.432 7.529 1.00 0.00 C ATOM 492 C ASP A 32 -20.919 10.068 7.886 1.00 0.00 C ATOM 493 O ASP A 32 -21.497 9.235 8.588 1.00 0.00 O ATOM 494 CB ASP A 32 -23.136 11.570 7.850 1.00 0.00 C ATOM 495 CG ASP A 32 -24.150 10.751 7.044 1.00 0.00 C ATOM 496 OD1 ASP A 32 -24.730 9.771 7.500 1.00 0.00 O ATOM 497 OD2 ASP A 32 -24.351 11.247 5.783 1.00 0.00 O ATOM 0 H ASP A 32 -21.579 11.124 5.433 1.00 0.00 H new ATOM 0 HA ASP A 32 -21.107 12.100 8.223 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -23.273 11.318 8.902 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -23.400 12.621 7.737 1.00 0.00 H new ATOM 503 N GLY A 33 -19.669 9.844 7.420 1.00 0.00 N ATOM 504 CA GLY A 33 -19.025 8.492 7.402 1.00 0.00 C ATOM 505 C GLY A 33 -18.555 7.884 6.047 1.00 0.00 C ATOM 506 O GLY A 33 -18.012 6.777 6.050 1.00 0.00 O ATOM 0 H GLY A 33 -19.074 10.584 7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -18.157 8.535 8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -19.728 7.789 7.849 1.00 0.00 H new ATOM 510 N THR A 34 -18.711 8.579 4.904 1.00 0.00 N ATOM 511 CA THR A 34 -18.013 8.231 3.616 1.00 0.00 C ATOM 512 C THR A 34 -16.449 8.284 3.726 1.00 0.00 C ATOM 513 O THR A 34 -15.908 9.319 4.127 1.00 0.00 O ATOM 514 CB THR A 34 -18.555 9.118 2.442 1.00 0.00 C ATOM 515 OG1 THR A 34 -17.841 8.874 1.232 1.00 0.00 O ATOM 516 CG2 THR A 34 -18.478 10.640 2.625 1.00 0.00 C ATOM 0 H THR A 34 -19.317 9.396 4.830 1.00 0.00 H new ATOM 0 HA THR A 34 -18.248 7.190 3.394 1.00 0.00 H new ATOM 0 HB THR A 34 -19.603 8.820 2.419 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.617 7.922 1.171 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.885 11.134 1.742 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.056 10.931 3.502 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.438 10.938 2.761 1.00 0.00 H new ATOM 524 N PHE A 35 -15.736 7.181 3.394 1.00 0.00 N ATOM 525 CA PHE A 35 -14.247 7.101 3.545 1.00 0.00 C ATOM 526 C PHE A 35 -13.505 6.949 2.173 1.00 0.00 C ATOM 527 O PHE A 35 -13.804 6.062 1.371 1.00 0.00 O ATOM 528 CB PHE A 35 -13.849 6.097 4.671 1.00 0.00 C ATOM 529 CG PHE A 35 -13.739 4.585 4.398 1.00 0.00 C ATOM 530 CD1 PHE A 35 -12.634 4.067 3.711 1.00 0.00 C ATOM 531 CD2 PHE A 35 -14.659 3.703 4.971 1.00 0.00 C ATOM 532 CE1 PHE A 35 -12.455 2.692 3.597 1.00 0.00 C ATOM 533 CE2 PHE A 35 -14.483 2.326 4.846 1.00 0.00 C ATOM 534 CZ PHE A 35 -13.379 1.822 4.167 1.00 0.00 C ATOM 0 H PHE A 35 -16.159 6.332 3.020 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.876 8.062 3.901 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.882 6.421 5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -14.572 6.222 5.477 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -11.916 4.740 3.266 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -15.510 4.090 5.513 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -11.600 2.300 3.067 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -15.206 1.649 5.277 1.00 0.00 H new ATOM 0 HZ PHE A 35 -13.239 0.755 4.082 1.00 0.00 H new ATOM 544 N LEU A 36 -12.537 7.839 1.904 1.00 0.00 N ATOM 545 CA LEU A 36 -12.014 8.111 0.535 1.00 0.00 C ATOM 546 C LEU A 36 -10.530 8.602 0.607 1.00 0.00 C ATOM 547 O LEU A 36 -10.099 9.213 1.587 1.00 0.00 O ATOM 548 CB LEU A 36 -12.928 9.153 -0.179 1.00 0.00 C ATOM 549 CG LEU A 36 -13.044 10.569 0.466 1.00 0.00 C ATOM 550 CD1 LEU A 36 -13.316 11.633 -0.593 1.00 0.00 C ATOM 551 CD2 LEU A 36 -14.194 10.663 1.493 1.00 0.00 C ATOM 0 H LEU A 36 -12.086 8.399 2.627 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.027 7.190 -0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.564 9.277 -1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.931 8.731 -0.247 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.089 10.737 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.392 12.610 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.500 11.645 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.251 11.406 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.228 11.670 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.141 10.442 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.026 9.944 2.295 1.00 0.00 H new ATOM 563 N VAL A 37 -9.709 8.334 -0.417 1.00 0.00 N ATOM 564 CA VAL A 37 -8.220 8.327 -0.228 1.00 0.00 C ATOM 565 C VAL A 37 -7.586 9.641 -0.773 1.00 0.00 C ATOM 566 O VAL A 37 -7.537 9.876 -1.983 1.00 0.00 O ATOM 567 CB VAL A 37 -7.620 6.980 -0.727 1.00 0.00 C ATOM 568 CG1 VAL A 37 -6.109 6.829 -0.445 1.00 0.00 C ATOM 569 CG2 VAL A 37 -8.346 5.772 -0.076 1.00 0.00 C ATOM 0 H VAL A 37 -10.021 8.123 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.955 8.349 0.829 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.767 6.992 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.763 5.866 -0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.564 7.630 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.932 6.884 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.907 4.844 -0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.237 5.823 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.404 5.800 -0.336 1.00 0.00 H new ATOM 579 N ARG A 38 -7.153 10.512 0.158 1.00 0.00 N ATOM 580 CA ARG A 38 -6.828 11.936 -0.135 1.00 0.00 C ATOM 581 C ARG A 38 -5.287 12.185 -0.257 1.00 0.00 C ATOM 582 O ARG A 38 -4.502 11.768 0.596 1.00 0.00 O ATOM 583 CB ARG A 38 -7.510 12.803 0.954 1.00 0.00 C ATOM 584 CG ARG A 38 -7.330 14.351 0.972 1.00 0.00 C ATOM 585 CD ARG A 38 -6.458 14.863 2.130 1.00 0.00 C ATOM 586 NE ARG A 38 -6.866 16.236 2.542 1.00 0.00 N ATOM 587 CZ ARG A 38 -6.592 17.361 1.903 1.00 0.00 C ATOM 588 NH1 ARG A 38 -5.860 17.433 0.820 1.00 0.00 N ATOM 589 NH2 ARG A 38 -7.076 18.453 2.414 1.00 0.00 N ATOM 0 H ARG A 38 -7.016 10.257 1.136 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.216 12.219 -1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.580 12.606 0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.169 12.430 1.920 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.885 14.666 0.028 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.312 14.820 1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.541 14.185 2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.411 14.867 1.827 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.410 16.316 3.401 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.460 16.585 0.417 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.689 18.337 0.379 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.635 18.413 3.266 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.896 19.350 1.963 1.00 0.00 H new ATOM 602 N ASP A 39 -4.847 12.942 -1.276 1.00 0.00 N ATOM 603 CA ASP A 39 -3.437 13.431 -1.363 1.00 0.00 C ATOM 604 C ASP A 39 -3.090 14.511 -0.275 1.00 0.00 C ATOM 605 O ASP A 39 -3.745 15.561 -0.209 1.00 0.00 O ATOM 606 CB ASP A 39 -3.223 13.974 -2.804 1.00 0.00 C ATOM 607 CG ASP A 39 -1.801 14.439 -3.130 1.00 0.00 C ATOM 608 OD1 ASP A 39 -0.943 13.713 -3.618 1.00 0.00 O ATOM 609 OD2 ASP A 39 -1.604 15.752 -2.805 1.00 0.00 O ATOM 0 H ASP A 39 -5.436 13.235 -2.055 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.756 12.605 -1.158 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.503 13.194 -3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.905 14.809 -2.964 1.00 0.00 H new ATOM 615 N ALA A 40 -2.013 14.283 0.505 1.00 0.00 N ATOM 616 CA ALA A 40 -1.393 15.340 1.356 1.00 0.00 C ATOM 617 C ALA A 40 -0.056 15.949 0.820 1.00 0.00 C ATOM 618 O ALA A 40 0.636 15.395 -0.038 1.00 0.00 O ATOM 619 CB ALA A 40 -1.231 14.799 2.792 1.00 0.00 C ATOM 0 H ALA A 40 -1.548 13.377 0.568 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.080 16.186 1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.778 15.566 3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.209 14.532 3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.591 13.917 2.778 1.00 0.00 H new ATOM 625 N SER A 41 0.328 17.105 1.391 1.00 0.00 N ATOM 626 CA SER A 41 1.699 17.671 1.272 1.00 0.00 C ATOM 627 C SER A 41 1.994 18.475 2.576 1.00 0.00 C ATOM 628 O SER A 41 1.332 19.476 2.872 1.00 0.00 O ATOM 629 CB SER A 41 1.854 18.519 -0.019 1.00 0.00 C ATOM 630 OG SER A 41 3.172 18.421 -0.565 1.00 0.00 O ATOM 0 H SER A 41 -0.300 17.681 1.951 1.00 0.00 H new ATOM 0 HA SER A 41 2.438 16.875 1.174 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.128 18.187 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.629 19.562 0.203 1.00 0.00 H new ATOM 0 HG SER A 41 3.832 18.518 0.153 1.00 0.00 H new ATOM 636 N THR A 42 2.909 17.994 3.434 1.00 0.00 N ATOM 637 CA THR A 42 3.187 18.625 4.767 1.00 0.00 C ATOM 638 C THR A 42 4.645 18.287 5.201 1.00 0.00 C ATOM 639 O THR A 42 5.502 19.174 5.164 1.00 0.00 O ATOM 640 CB THR A 42 2.064 18.314 5.813 1.00 0.00 C ATOM 641 OG1 THR A 42 0.817 18.821 5.345 1.00 0.00 O ATOM 642 CG2 THR A 42 2.271 18.950 7.196 1.00 0.00 C ATOM 0 H THR A 42 3.478 17.169 3.242 1.00 0.00 H new ATOM 0 HA THR A 42 3.144 19.712 4.691 1.00 0.00 H new ATOM 0 HB THR A 42 2.090 17.230 5.921 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.973 19.431 4.594 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.442 18.677 7.850 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.206 18.590 7.626 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.312 20.035 7.095 1.00 0.00 H new ATOM 650 N LYS A 43 4.971 17.015 5.522 1.00 0.00 N ATOM 651 CA LYS A 43 6.390 16.548 5.557 1.00 0.00 C ATOM 652 C LYS A 43 6.883 16.238 4.097 1.00 0.00 C ATOM 653 O LYS A 43 6.884 15.093 3.637 1.00 0.00 O ATOM 654 CB LYS A 43 6.484 15.371 6.567 1.00 0.00 C ATOM 655 CG LYS A 43 7.933 14.983 6.944 1.00 0.00 C ATOM 656 CD LYS A 43 8.001 13.912 8.054 1.00 0.00 C ATOM 657 CE LYS A 43 9.431 13.517 8.470 1.00 0.00 C ATOM 658 NZ LYS A 43 10.109 14.594 9.223 1.00 0.00 N ATOM 0 H LYS A 43 4.287 16.296 5.759 1.00 0.00 H new ATOM 0 HA LYS A 43 7.076 17.314 5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.942 15.639 7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.984 14.500 6.143 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.447 14.612 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.468 15.874 7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.469 14.281 8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.475 13.020 7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.394 12.616 9.082 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.013 13.275 7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.068 14.286 9.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.168 15.447 8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.569 14.808 10.085 1.00 0.00 H new ATOM 671 N MET A 44 7.220 17.314 3.354 1.00 0.00 N ATOM 672 CA MET A 44 7.383 17.297 1.870 1.00 0.00 C ATOM 673 C MET A 44 6.059 16.941 1.098 1.00 0.00 C ATOM 674 O MET A 44 5.181 17.803 0.966 1.00 0.00 O ATOM 675 CB MET A 44 8.717 16.601 1.458 1.00 0.00 C ATOM 676 CG MET A 44 9.151 16.864 0.003 1.00 0.00 C ATOM 677 SD MET A 44 10.735 16.067 -0.317 1.00 0.00 S ATOM 678 CE MET A 44 11.016 16.645 -2.000 1.00 0.00 C ATOM 0 H MET A 44 7.390 18.232 3.764 1.00 0.00 H new ATOM 0 HA MET A 44 7.530 18.313 1.502 1.00 0.00 H new ATOM 0 HB2 MET A 44 9.509 16.937 2.127 1.00 0.00 H new ATOM 0 HB3 MET A 44 8.612 15.526 1.604 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.397 16.483 -0.685 1.00 0.00 H new ATOM 0 HG3 MET A 44 9.231 17.937 -0.174 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.962 16.247 -2.368 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.204 16.303 -2.642 1.00 0.00 H new ATOM 0 HE3 MET A 44 11.052 17.734 -2.009 1.00 0.00 H new ATOM 688 N HIS A 45 5.906 15.697 0.605 1.00 0.00 N ATOM 689 CA HIS A 45 4.712 15.256 -0.169 1.00 0.00 C ATOM 690 C HIS A 45 4.155 13.929 0.433 1.00 0.00 C ATOM 691 O HIS A 45 4.824 12.891 0.416 1.00 0.00 O ATOM 692 CB HIS A 45 5.081 15.177 -1.676 1.00 0.00 C ATOM 693 CG HIS A 45 3.903 15.052 -2.650 1.00 0.00 C ATOM 694 ND1 HIS A 45 2.735 15.791 -2.586 1.00 0.00 N ATOM 695 CD2 HIS A 45 3.886 14.245 -3.798 1.00 0.00 C ATOM 696 CE1 HIS A 45 2.091 15.329 -3.702 1.00 0.00 C ATOM 697 NE2 HIS A 45 2.701 14.401 -4.509 1.00 0.00 N ATOM 0 H HIS A 45 6.603 14.963 0.728 1.00 0.00 H new ATOM 0 HA HIS A 45 3.899 15.978 -0.092 1.00 0.00 H new ATOM 0 HB2 HIS A 45 5.650 16.069 -1.938 1.00 0.00 H new ATOM 0 HB3 HIS A 45 5.741 14.323 -1.824 1.00 0.00 H new ATOM 0 HD2 HIS A 45 4.690 13.587 -4.092 1.00 0.00 H new ATOM 0 HE1 HIS A 45 1.105 15.694 -3.947 1.00 0.00 H new ATOM 0 HE2 HIS A 45 2.381 13.959 -5.371 1.00 0.00 H new ATOM 705 N GLY A 46 2.929 13.977 0.981 1.00 0.00 N ATOM 706 CA GLY A 46 2.288 12.807 1.633 1.00 0.00 C ATOM 707 C GLY A 46 1.166 12.173 0.798 1.00 0.00 C ATOM 708 O GLY A 46 -0.007 12.304 1.146 1.00 0.00 O ATOM 0 H GLY A 46 2.352 14.818 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.049 12.053 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.882 13.116 2.596 1.00 0.00 H new ATOM 712 N ASP A 47 1.510 11.457 -0.280 1.00 0.00 N ATOM 713 CA ASP A 47 0.511 10.910 -1.245 1.00 0.00 C ATOM 714 C ASP A 47 -0.627 10.003 -0.662 1.00 0.00 C ATOM 715 O ASP A 47 -1.776 10.115 -1.099 1.00 0.00 O ATOM 716 CB ASP A 47 1.303 10.184 -2.365 1.00 0.00 C ATOM 717 CG ASP A 47 2.157 11.094 -3.245 1.00 0.00 C ATOM 718 OD1 ASP A 47 3.383 11.125 -3.205 1.00 0.00 O ATOM 719 OD2 ASP A 47 1.397 11.903 -4.031 1.00 0.00 O ATOM 0 H ASP A 47 2.476 11.235 -0.519 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.058 11.762 -1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.950 9.436 -1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.597 9.648 -3.000 1.00 0.00 H new ATOM 725 N TYR A 48 -0.314 9.136 0.317 1.00 0.00 N ATOM 726 CA TYR A 48 -1.273 8.164 0.901 1.00 0.00 C ATOM 727 C TYR A 48 -1.712 8.460 2.375 1.00 0.00 C ATOM 728 O TYR A 48 -1.557 7.627 3.275 1.00 0.00 O ATOM 729 CB TYR A 48 -0.683 6.737 0.670 1.00 0.00 C ATOM 730 CG TYR A 48 0.696 6.390 1.295 1.00 0.00 C ATOM 731 CD1 TYR A 48 1.874 6.673 0.592 1.00 0.00 C ATOM 732 CD2 TYR A 48 0.783 5.766 2.545 1.00 0.00 C ATOM 733 CE1 TYR A 48 3.115 6.339 1.131 1.00 0.00 C ATOM 734 CE2 TYR A 48 2.024 5.433 3.081 1.00 0.00 C ATOM 735 CZ TYR A 48 3.186 5.715 2.374 1.00 0.00 C ATOM 736 OH TYR A 48 4.399 5.367 2.905 1.00 0.00 O ATOM 0 H TYR A 48 0.616 9.085 0.732 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.230 8.255 0.386 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.408 6.015 1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.607 6.581 -0.406 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.820 7.153 -0.374 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.118 5.542 3.097 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.020 6.564 0.586 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.083 4.955 4.048 1.00 0.00 H new ATOM 0 HH TYR A 48 4.264 4.943 3.778 1.00 0.00 H new ATOM 746 N THR A 49 -2.393 9.597 2.607 1.00 0.00 N ATOM 747 CA THR A 49 -3.354 9.712 3.745 1.00 0.00 C ATOM 748 C THR A 49 -4.784 9.314 3.259 1.00 0.00 C ATOM 749 O THR A 49 -5.162 9.526 2.102 1.00 0.00 O ATOM 750 CB THR A 49 -3.267 11.101 4.447 1.00 0.00 C ATOM 751 OG1 THR A 49 -3.939 11.025 5.698 1.00 0.00 O ATOM 752 CG2 THR A 49 -3.868 12.307 3.706 1.00 0.00 C ATOM 0 H THR A 49 -2.306 10.440 2.040 1.00 0.00 H new ATOM 0 HA THR A 49 -3.081 9.007 4.530 1.00 0.00 H new ATOM 0 HB THR A 49 -2.195 11.288 4.508 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.889 11.893 6.149 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.738 13.206 4.308 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.362 12.435 2.749 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.931 12.136 3.535 1.00 0.00 H new ATOM 760 N LEU A 50 -5.605 8.744 4.145 1.00 0.00 N ATOM 761 CA LEU A 50 -7.051 8.558 3.867 1.00 0.00 C ATOM 762 C LEU A 50 -7.863 9.703 4.541 1.00 0.00 C ATOM 763 O LEU A 50 -7.483 10.262 5.576 1.00 0.00 O ATOM 764 CB LEU A 50 -7.418 7.095 4.227 1.00 0.00 C ATOM 765 CG LEU A 50 -8.764 6.563 3.672 1.00 0.00 C ATOM 766 CD1 LEU A 50 -8.683 5.053 3.380 1.00 0.00 C ATOM 767 CD2 LEU A 50 -9.972 6.836 4.574 1.00 0.00 C ATOM 0 H LEU A 50 -5.306 8.402 5.058 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.318 8.660 2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.620 6.445 3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.438 7.006 5.313 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.925 7.122 2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.640 4.706 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.903 4.866 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.448 4.517 4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.871 6.431 4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.818 6.361 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.088 7.911 4.712 1.00 0.00 H new ATOM 779 N THR A 51 -8.970 10.131 3.922 1.00 0.00 N ATOM 780 CA THR A 51 -9.891 11.118 4.537 1.00 0.00 C ATOM 781 C THR A 51 -11.335 10.562 4.547 1.00 0.00 C ATOM 782 O THR A 51 -11.929 10.294 3.504 1.00 0.00 O ATOM 783 CB THR A 51 -9.692 12.468 3.811 1.00 0.00 C ATOM 784 OG1 THR A 51 -8.371 12.913 4.101 1.00 0.00 O ATOM 785 CG2 THR A 51 -10.609 13.595 4.263 1.00 0.00 C ATOM 0 H THR A 51 -9.257 9.814 2.996 1.00 0.00 H new ATOM 0 HA THR A 51 -9.671 11.299 5.589 1.00 0.00 H new ATOM 0 HB THR A 51 -9.905 12.273 2.760 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.379 13.450 4.921 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.387 14.496 3.691 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.647 13.307 4.098 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.450 13.790 5.324 1.00 0.00 H new ATOM 793 N LEU A 52 -11.916 10.434 5.745 1.00 0.00 N ATOM 794 CA LEU A 52 -13.389 10.377 5.914 1.00 0.00 C ATOM 795 C LEU A 52 -13.878 11.720 6.516 1.00 0.00 C ATOM 796 O LEU A 52 -13.224 12.299 7.393 1.00 0.00 O ATOM 797 CB LEU A 52 -13.793 9.099 6.710 1.00 0.00 C ATOM 798 CG LEU A 52 -13.884 9.078 8.266 1.00 0.00 C ATOM 799 CD1 LEU A 52 -12.584 9.557 8.937 1.00 0.00 C ATOM 800 CD2 LEU A 52 -15.116 9.817 8.823 1.00 0.00 C ATOM 0 H LEU A 52 -11.395 10.367 6.619 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.899 10.274 4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -14.770 8.794 6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -13.086 8.319 6.428 1.00 0.00 H new ATOM 0 HG LEU A 52 -14.019 8.029 8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.700 9.523 10.020 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.760 8.908 8.640 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.370 10.580 8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -15.113 9.761 9.912 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -15.084 10.862 8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.024 9.352 8.438 1.00 0.00 H new ATOM 812 N ARG A 53 -15.044 12.214 6.088 1.00 0.00 N ATOM 813 CA ARG A 53 -15.669 13.387 6.750 1.00 0.00 C ATOM 814 C ARG A 53 -17.032 12.990 7.389 1.00 0.00 C ATOM 815 O ARG A 53 -17.920 12.415 6.750 1.00 0.00 O ATOM 816 CB ARG A 53 -15.757 14.588 5.781 1.00 0.00 C ATOM 817 CG ARG A 53 -14.434 15.258 5.290 1.00 0.00 C ATOM 818 CD ARG A 53 -13.162 15.248 6.169 1.00 0.00 C ATOM 819 NE ARG A 53 -12.073 16.068 5.567 1.00 0.00 N ATOM 820 CZ ARG A 53 -10.895 16.336 6.127 1.00 0.00 C ATOM 821 NH1 ARG A 53 -10.679 16.363 7.407 1.00 0.00 N ATOM 822 NH2 ARG A 53 -9.898 16.622 5.337 1.00 0.00 N ATOM 0 H ARG A 53 -15.574 11.836 5.302 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.034 13.719 7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.308 14.261 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.357 15.359 6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.171 14.788 4.342 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -14.665 16.301 5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.401 15.632 7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.817 14.222 6.299 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.246 16.460 4.641 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.441 16.171 8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.747 16.577 7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.036 16.635 4.326 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.980 16.833 5.730 1.00 0.00 H new ATOM 835 N LYS A 54 -17.178 13.333 8.674 1.00 0.00 N ATOM 836 CA LYS A 54 -18.486 13.395 9.361 1.00 0.00 C ATOM 837 C LYS A 54 -18.893 14.898 9.483 1.00 0.00 C ATOM 838 O LYS A 54 -18.109 15.707 9.988 1.00 0.00 O ATOM 839 CB LYS A 54 -18.299 12.649 10.712 1.00 0.00 C ATOM 840 CG LYS A 54 -19.473 12.669 11.719 1.00 0.00 C ATOM 841 CD LYS A 54 -20.795 12.080 11.188 1.00 0.00 C ATOM 842 CE LYS A 54 -21.773 11.706 12.311 1.00 0.00 C ATOM 843 NZ LYS A 54 -22.976 11.075 11.733 1.00 0.00 N ATOM 0 H LYS A 54 -16.391 13.578 9.275 1.00 0.00 H new ATOM 0 HA LYS A 54 -19.305 12.910 8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.067 11.607 10.489 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -17.425 13.071 11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -19.178 12.115 12.610 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -19.650 13.699 12.028 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -21.270 12.804 10.525 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -20.579 11.194 10.591 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -21.293 11.023 13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -22.053 12.596 12.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -23.636 10.823 12.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -23.438 11.741 11.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -22.702 10.216 11.214 1.00 0.00 H new ATOM 856 N GLY A 55 -20.103 15.281 9.028 1.00 0.00 N ATOM 857 CA GLY A 55 -20.570 16.700 9.062 1.00 0.00 C ATOM 858 C GLY A 55 -20.807 17.306 10.468 1.00 0.00 C ATOM 859 O GLY A 55 -21.926 17.355 10.980 1.00 0.00 O ATOM 0 H GLY A 55 -20.783 14.633 8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -19.836 17.315 8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -21.500 16.769 8.498 1.00 0.00 H new ATOM 863 N GLY A 56 -19.699 17.741 11.068 1.00 0.00 N ATOM 864 CA GLY A 56 -19.612 18.033 12.517 1.00 0.00 C ATOM 865 C GLY A 56 -18.129 18.009 12.928 1.00 0.00 C ATOM 866 O GLY A 56 -17.460 19.043 12.875 1.00 0.00 O ATOM 0 H GLY A 56 -18.825 17.905 10.568 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -20.050 19.007 12.735 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -20.176 17.295 13.087 1.00 0.00 H new ATOM 870 N ASN A 57 -17.592 16.816 13.240 1.00 0.00 N ATOM 871 CA ASN A 57 -16.128 16.591 13.285 1.00 0.00 C ATOM 872 C ASN A 57 -15.627 16.050 11.907 1.00 0.00 C ATOM 873 O ASN A 57 -15.712 14.856 11.597 1.00 0.00 O ATOM 874 CB ASN A 57 -15.790 15.602 14.418 1.00 0.00 C ATOM 875 CG ASN A 57 -15.864 16.129 15.857 1.00 0.00 C ATOM 876 OD1 ASN A 57 -16.039 17.308 16.142 1.00 0.00 O ATOM 877 ND2 ASN A 57 -15.700 15.262 16.823 1.00 0.00 N ATOM 0 H ASN A 57 -18.146 15.990 13.465 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.622 17.535 13.485 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -16.466 14.751 14.335 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.781 15.226 14.248 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.719 15.571 17.795 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -15.553 14.277 16.604 1.00 0.00 H new ATOM 884 N ASN A 58 -15.083 16.955 11.089 1.00 0.00 N ATOM 885 CA ASN A 58 -14.569 16.626 9.744 1.00 0.00 C ATOM 886 C ASN A 58 -13.029 16.421 9.860 1.00 0.00 C ATOM 887 O ASN A 58 -12.279 17.367 10.116 1.00 0.00 O ATOM 888 CB ASN A 58 -14.919 17.783 8.784 1.00 0.00 C ATOM 889 CG ASN A 58 -16.390 18.006 8.413 1.00 0.00 C ATOM 890 OD1 ASN A 58 -16.920 17.415 7.480 1.00 0.00 O ATOM 891 ND2 ASN A 58 -17.080 18.897 9.084 1.00 0.00 N ATOM 0 H ASN A 58 -14.983 17.940 11.335 1.00 0.00 H new ATOM 0 HA ASN A 58 -15.018 15.714 9.350 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -14.545 18.706 9.227 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.364 17.626 7.859 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -18.048 19.092 8.827 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.649 19.395 9.863 1.00 0.00 H new ATOM 898 N LYS A 59 -12.543 15.179 9.707 1.00 0.00 N ATOM 899 CA LYS A 59 -11.243 14.755 10.286 1.00 0.00 C ATOM 900 C LYS A 59 -10.622 13.544 9.516 1.00 0.00 C ATOM 901 O LYS A 59 -11.109 12.415 9.580 1.00 0.00 O ATOM 902 CB LYS A 59 -11.479 14.454 11.787 1.00 0.00 C ATOM 903 CG LYS A 59 -10.202 14.062 12.552 1.00 0.00 C ATOM 904 CD LYS A 59 -10.413 13.823 14.056 1.00 0.00 C ATOM 905 CE LYS A 59 -11.278 12.590 14.326 1.00 0.00 C ATOM 906 NZ LYS A 59 -11.317 12.290 15.770 1.00 0.00 N ATOM 0 H LYS A 59 -13.026 14.445 9.188 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.507 15.552 10.185 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.918 15.333 12.259 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.206 13.647 11.876 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.789 13.157 12.107 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.459 14.849 12.422 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.445 13.700 14.543 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.884 14.700 14.500 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.289 12.761 13.957 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.880 11.734 13.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.908 11.450 15.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.352 12.106 16.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.718 13.101 16.282 1.00 0.00 H new ATOM 919 N SER A 60 -9.492 13.805 8.848 1.00 0.00 N ATOM 920 CA SER A 60 -8.681 12.762 8.148 1.00 0.00 C ATOM 921 C SER A 60 -8.022 11.639 9.035 1.00 0.00 C ATOM 922 O SER A 60 -8.122 11.639 10.264 1.00 0.00 O ATOM 923 CB SER A 60 -7.637 13.520 7.283 1.00 0.00 C ATOM 924 OG SER A 60 -8.252 14.301 6.262 1.00 0.00 O ATOM 0 H SER A 60 -9.100 14.743 8.769 1.00 0.00 H new ATOM 0 HA SER A 60 -9.371 12.166 7.551 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.038 14.168 7.923 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.954 12.802 6.828 1.00 0.00 H new ATOM 0 HG SER A 60 -7.783 15.157 6.178 1.00 0.00 H new ATOM 930 N ILE A 61 -7.404 10.630 8.382 1.00 0.00 N ATOM 931 CA ILE A 61 -7.053 9.316 9.005 1.00 0.00 C ATOM 932 C ILE A 61 -5.825 8.681 8.251 1.00 0.00 C ATOM 933 O ILE A 61 -5.900 8.381 7.057 1.00 0.00 O ATOM 934 CB ILE A 61 -8.337 8.397 9.068 1.00 0.00 C ATOM 935 CG1 ILE A 61 -8.103 7.039 9.792 1.00 0.00 C ATOM 936 CG2 ILE A 61 -9.041 8.152 7.706 1.00 0.00 C ATOM 937 CD1 ILE A 61 -9.407 6.313 10.181 1.00 0.00 C ATOM 0 H ILE A 61 -7.129 10.696 7.402 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.730 9.445 10.038 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.018 8.997 9.672 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.514 6.389 9.145 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.512 7.213 10.691 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.909 7.511 7.856 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.362 9.105 7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.346 7.668 7.019 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.166 5.375 10.681 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.988 6.944 10.854 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -9.990 6.106 9.284 1.00 0.00 H new ATOM 949 N LYS A 62 -4.687 8.440 8.935 1.00 0.00 N ATOM 950 CA LYS A 62 -3.486 7.793 8.313 1.00 0.00 C ATOM 951 C LYS A 62 -3.675 6.280 7.941 1.00 0.00 C ATOM 952 O LYS A 62 -4.387 5.539 8.627 1.00 0.00 O ATOM 953 CB LYS A 62 -2.290 8.020 9.283 1.00 0.00 C ATOM 954 CG LYS A 62 -0.929 7.398 8.881 1.00 0.00 C ATOM 955 CD LYS A 62 0.264 7.825 9.750 1.00 0.00 C ATOM 956 CE LYS A 62 0.260 7.289 11.187 1.00 0.00 C ATOM 957 NZ LYS A 62 1.469 7.727 11.910 1.00 0.00 N ATOM 0 H LYS A 62 -4.563 8.679 9.919 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.301 8.260 7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.149 9.094 9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.567 7.625 10.260 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.017 6.312 8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.718 7.663 7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.182 7.498 9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.293 8.914 9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.630 7.641 11.709 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.212 6.200 11.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.447 7.354 12.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.314 7.370 11.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.499 8.766 11.939 1.00 0.00 H new ATOM 970 N ILE A 63 -2.972 5.826 6.879 1.00 0.00 N ATOM 971 CA ILE A 63 -2.848 4.372 6.551 1.00 0.00 C ATOM 972 C ILE A 63 -1.419 3.896 6.975 1.00 0.00 C ATOM 973 O ILE A 63 -1.251 3.616 8.162 1.00 0.00 O ATOM 974 CB ILE A 63 -3.371 4.043 5.100 1.00 0.00 C ATOM 975 CG1 ILE A 63 -4.820 4.537 4.815 1.00 0.00 C ATOM 976 CG2 ILE A 63 -3.285 2.535 4.750 1.00 0.00 C ATOM 977 CD1 ILE A 63 -5.930 3.988 5.734 1.00 0.00 C ATOM 0 H ILE A 63 -2.479 6.439 6.230 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.525 3.748 7.135 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.690 4.603 4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.829 5.625 4.883 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.071 4.280 3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.660 2.374 3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.247 2.206 4.809 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.888 1.963 5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.891 4.406 5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.966 2.902 5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.719 4.268 6.766 1.00 0.00 H new ATOM 989 N PHE A 64 -0.424 3.785 6.063 1.00 0.00 N ATOM 990 CA PHE A 64 0.822 2.959 6.238 1.00 0.00 C ATOM 991 C PHE A 64 0.658 1.563 5.539 1.00 0.00 C ATOM 992 O PHE A 64 -0.306 0.839 5.803 1.00 0.00 O ATOM 993 CB PHE A 64 1.435 2.862 7.675 1.00 0.00 C ATOM 994 CG PHE A 64 2.961 2.641 7.735 1.00 0.00 C ATOM 995 CD1 PHE A 64 3.523 1.388 7.461 1.00 0.00 C ATOM 996 CD2 PHE A 64 3.808 3.712 8.046 1.00 0.00 C ATOM 997 CE1 PHE A 64 4.903 1.209 7.495 1.00 0.00 C ATOM 998 CE2 PHE A 64 5.189 3.531 8.086 1.00 0.00 C ATOM 999 CZ PHE A 64 5.735 2.280 7.808 1.00 0.00 C ATOM 0 H PHE A 64 -0.453 4.270 5.166 1.00 0.00 H new ATOM 0 HA PHE A 64 1.595 3.534 5.728 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.197 3.779 8.215 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.946 2.044 8.205 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.880 0.554 7.221 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.388 4.685 8.256 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.328 0.240 7.279 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.836 4.360 8.332 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.806 2.141 7.835 1.00 0.00 H new ATOM 1009 N HIS A 65 1.603 1.143 4.664 1.00 0.00 N ATOM 1010 CA HIS A 65 1.554 -0.187 4.010 1.00 0.00 C ATOM 1011 C HIS A 65 1.777 -1.390 5.005 1.00 0.00 C ATOM 1012 O HIS A 65 2.911 -1.795 5.276 1.00 0.00 O ATOM 1013 CB HIS A 65 2.526 -0.236 2.799 1.00 0.00 C ATOM 1014 CG HIS A 65 2.266 -1.416 1.854 1.00 0.00 C ATOM 1015 ND1 HIS A 65 2.913 -2.629 1.950 1.00 0.00 N ATOM 1016 CD2 HIS A 65 1.302 -1.478 0.834 1.00 0.00 C ATOM 1017 CE1 HIS A 65 2.292 -3.320 0.945 1.00 0.00 C ATOM 1018 NE2 HIS A 65 1.302 -2.720 0.210 1.00 0.00 N ATOM 0 H HIS A 65 2.409 1.707 4.395 1.00 0.00 H new ATOM 0 HA HIS A 65 0.538 -0.317 3.638 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.442 0.694 2.238 1.00 0.00 H new ATOM 0 HB3 HIS A 65 3.550 -0.294 3.167 1.00 0.00 H new ATOM 0 HD1 HIS A 65 3.648 -2.928 2.590 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.644 -0.664 0.568 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.582 -4.338 0.731 1.00 0.00 H new ATOM 1026 N ARG A 66 0.675 -1.983 5.499 1.00 0.00 N ATOM 1027 CA ARG A 66 0.677 -3.289 6.241 1.00 0.00 C ATOM 1028 C ARG A 66 1.344 -3.267 7.667 1.00 0.00 C ATOM 1029 O ARG A 66 2.282 -4.019 7.949 1.00 0.00 O ATOM 1030 CB ARG A 66 1.139 -4.477 5.336 1.00 0.00 C ATOM 1031 CG ARG A 66 0.334 -4.702 4.033 1.00 0.00 C ATOM 1032 CD ARG A 66 0.753 -5.970 3.276 1.00 0.00 C ATOM 1033 NE ARG A 66 0.072 -6.007 1.952 1.00 0.00 N ATOM 1034 CZ ARG A 66 0.383 -6.814 0.949 1.00 0.00 C ATOM 1035 NH1 ARG A 66 1.258 -7.784 1.021 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -0.226 -6.625 -0.179 1.00 0.00 N ATOM 0 H ARG A 66 -0.256 -1.579 5.402 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.370 -3.469 6.485 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.184 -4.317 5.069 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.097 -5.393 5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.727 -4.765 4.275 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.462 -3.838 3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.834 -5.985 3.141 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.492 -6.855 3.856 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.699 -5.356 1.805 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.754 -7.960 1.895 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.444 -8.365 0.203 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.914 -5.878 -0.268 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.017 -7.224 -0.978 1.00 0.00 H new ATOM 1049 N ASP A 67 0.830 -2.419 8.584 1.00 0.00 N ATOM 1050 CA ASP A 67 1.457 -2.185 9.921 1.00 0.00 C ATOM 1051 C ASP A 67 0.352 -1.901 10.992 1.00 0.00 C ATOM 1052 O ASP A 67 -0.025 -0.752 11.233 1.00 0.00 O ATOM 1053 CB ASP A 67 2.491 -1.037 9.727 1.00 0.00 C ATOM 1054 CG ASP A 67 3.291 -0.633 10.964 1.00 0.00 C ATOM 1055 OD1 ASP A 67 3.268 0.489 11.456 1.00 0.00 O ATOM 1056 OD2 ASP A 67 4.039 -1.659 11.457 1.00 0.00 O ATOM 0 H ASP A 67 -0.021 -1.879 8.430 1.00 0.00 H new ATOM 0 HA ASP A 67 1.986 -3.058 10.304 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.192 -1.336 8.948 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.962 -0.158 9.359 1.00 0.00 H new ATOM 1062 N GLY A 68 -0.173 -2.958 11.628 1.00 0.00 N ATOM 1063 CA GLY A 68 -1.339 -2.832 12.552 1.00 0.00 C ATOM 1064 C GLY A 68 -1.782 -4.119 13.271 1.00 0.00 C ATOM 1065 O GLY A 68 -1.982 -4.096 14.484 1.00 0.00 O ATOM 0 H GLY A 68 0.180 -3.910 11.529 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.098 -2.084 13.307 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.186 -2.449 11.983 1.00 0.00 H new ATOM 1069 N LYS A 69 -1.903 -5.239 12.530 1.00 0.00 N ATOM 1070 CA LYS A 69 -1.892 -6.621 13.109 1.00 0.00 C ATOM 1071 C LYS A 69 -3.199 -7.024 13.856 1.00 0.00 C ATOM 1072 O LYS A 69 -3.252 -6.995 15.088 1.00 0.00 O ATOM 1073 CB LYS A 69 -0.533 -6.855 13.841 1.00 0.00 C ATOM 1074 CG LYS A 69 -0.241 -8.233 14.481 1.00 0.00 C ATOM 1075 CD LYS A 69 1.257 -8.629 14.428 1.00 0.00 C ATOM 1076 CE LYS A 69 2.272 -7.633 15.032 1.00 0.00 C ATOM 1077 NZ LYS A 69 2.201 -7.611 16.508 1.00 0.00 N ATOM 0 H LYS A 69 -2.011 -5.224 11.516 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.927 -7.356 12.305 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.263 -6.652 13.125 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.452 -6.105 14.628 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.570 -8.220 15.520 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.829 -8.995 13.970 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.373 -9.583 14.942 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.526 -8.795 13.385 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.280 -7.906 14.720 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.077 -6.634 14.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.896 -6.932 16.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.246 -7.327 16.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.411 -8.559 16.880 1.00 0.00 H new ATOM 1090 N TYR A 70 -4.257 -7.413 13.103 1.00 0.00 N ATOM 1091 CA TYR A 70 -5.586 -7.701 13.712 1.00 0.00 C ATOM 1092 C TYR A 70 -6.212 -9.004 13.126 1.00 0.00 C ATOM 1093 O TYR A 70 -6.805 -8.998 12.042 1.00 0.00 O ATOM 1094 CB TYR A 70 -6.459 -6.438 13.501 1.00 0.00 C ATOM 1095 CG TYR A 70 -7.582 -6.239 14.528 1.00 0.00 C ATOM 1096 CD1 TYR A 70 -7.307 -5.597 15.741 1.00 0.00 C ATOM 1097 CD2 TYR A 70 -8.890 -6.646 14.247 1.00 0.00 C ATOM 1098 CE1 TYR A 70 -8.332 -5.353 16.653 1.00 0.00 C ATOM 1099 CE2 TYR A 70 -9.911 -6.407 15.166 1.00 0.00 C ATOM 1100 CZ TYR A 70 -9.632 -5.754 16.365 1.00 0.00 C ATOM 1101 OH TYR A 70 -10.627 -5.496 17.271 1.00 0.00 O ATOM 0 H TYR A 70 -4.222 -7.534 12.091 1.00 0.00 H new ATOM 0 HA TYR A 70 -5.502 -7.902 14.780 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.812 -5.561 13.520 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.902 -6.485 12.506 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -6.297 -5.290 15.971 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.110 -7.147 13.316 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.116 -4.852 17.585 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.919 -6.728 14.948 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.412 -4.680 17.769 1.00 0.00 H new ATOM 1111 N GLY A 71 -6.073 -10.114 13.865 1.00 0.00 N ATOM 1112 CA GLY A 71 -6.622 -11.432 13.457 1.00 0.00 C ATOM 1113 C GLY A 71 -5.884 -12.641 14.076 1.00 0.00 C ATOM 1114 O GLY A 71 -4.859 -12.507 14.757 1.00 0.00 O ATOM 0 H GLY A 71 -5.581 -10.133 14.758 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.674 -11.479 13.739 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.579 -11.511 12.371 1.00 0.00 H new ATOM 1118 N PHE A 72 -6.409 -13.845 13.801 1.00 0.00 N ATOM 1119 CA PHE A 72 -5.922 -15.120 14.415 1.00 0.00 C ATOM 1120 C PHE A 72 -4.497 -15.536 13.908 1.00 0.00 C ATOM 1121 O PHE A 72 -4.339 -16.226 12.895 1.00 0.00 O ATOM 1122 CB PHE A 72 -6.977 -16.240 14.166 1.00 0.00 C ATOM 1123 CG PHE A 72 -8.359 -16.049 14.822 1.00 0.00 C ATOM 1124 CD1 PHE A 72 -8.529 -16.272 16.193 1.00 0.00 C ATOM 1125 CD2 PHE A 72 -9.457 -15.651 14.051 1.00 0.00 C ATOM 1126 CE1 PHE A 72 -9.778 -16.093 16.784 1.00 0.00 C ATOM 1127 CE2 PHE A 72 -10.705 -15.473 14.643 1.00 0.00 C ATOM 1128 CZ PHE A 72 -10.865 -15.694 16.009 1.00 0.00 C ATOM 0 H PHE A 72 -7.183 -13.977 13.149 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.809 -14.962 15.488 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.122 -16.338 13.090 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.561 -17.184 14.518 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.689 -16.584 16.795 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.336 -15.481 12.991 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.904 -16.264 17.843 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -11.548 -15.164 14.043 1.00 0.00 H new ATOM 0 HZ PHE A 72 -11.833 -15.556 16.468 1.00 0.00 H new ATOM 1138 N SER A 73 -3.454 -15.064 14.609 1.00 0.00 N ATOM 1139 CA SER A 73 -2.090 -14.953 14.024 1.00 0.00 C ATOM 1140 C SER A 73 -1.135 -16.096 14.488 1.00 0.00 C ATOM 1141 O SER A 73 -0.240 -15.893 15.313 1.00 0.00 O ATOM 1142 CB SER A 73 -1.567 -13.529 14.353 1.00 0.00 C ATOM 1143 OG SER A 73 -2.378 -12.507 13.767 1.00 0.00 O ATOM 0 H SER A 73 -3.519 -14.752 15.578 1.00 0.00 H new ATOM 0 HA SER A 73 -2.129 -15.085 12.943 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.541 -13.394 15.434 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.543 -13.428 13.994 1.00 0.00 H new ATOM 0 HG SER A 73 -3.321 -12.684 13.965 1.00 0.00 H new ATOM 1149 N ASP A 74 -1.320 -17.301 13.918 1.00 0.00 N ATOM 1150 CA ASP A 74 -0.441 -18.477 14.186 1.00 0.00 C ATOM 1151 C ASP A 74 0.249 -18.942 12.865 1.00 0.00 C ATOM 1152 O ASP A 74 1.437 -18.674 12.674 1.00 0.00 O ATOM 1153 CB ASP A 74 -1.274 -19.547 14.951 1.00 0.00 C ATOM 1154 CG ASP A 74 -0.480 -20.746 15.475 1.00 0.00 C ATOM 1155 OD1 ASP A 74 -0.162 -20.875 16.653 1.00 0.00 O ATOM 1156 OD2 ASP A 74 -0.182 -21.652 14.492 1.00 0.00 O ATOM 0 H ASP A 74 -2.075 -17.496 13.261 1.00 0.00 H new ATOM 0 HA ASP A 74 0.396 -18.235 14.841 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.768 -19.064 15.794 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.059 -19.914 14.289 1.00 0.00 H new ATOM 1162 N SER A 75 -0.476 -19.638 11.967 1.00 0.00 N ATOM 1163 CA SER A 75 0.075 -20.085 10.653 1.00 0.00 C ATOM 1164 C SER A 75 0.083 -18.949 9.579 1.00 0.00 C ATOM 1165 O SER A 75 1.148 -18.612 9.058 1.00 0.00 O ATOM 1166 CB SER A 75 -0.669 -21.364 10.197 1.00 0.00 C ATOM 1167 OG SER A 75 -0.504 -22.425 11.143 1.00 0.00 O ATOM 0 H SER A 75 -1.448 -19.908 12.120 1.00 0.00 H new ATOM 0 HA SER A 75 1.128 -20.334 10.780 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.730 -21.146 10.073 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.292 -21.679 9.224 1.00 0.00 H new ATOM 0 HG SER A 75 -0.985 -23.219 10.831 1.00 0.00 H new ATOM 1173 N LEU A 76 -1.079 -18.333 9.279 1.00 0.00 N ATOM 1174 CA LEU A 76 -1.142 -17.055 8.519 1.00 0.00 C ATOM 1175 C LEU A 76 -1.164 -15.873 9.543 1.00 0.00 C ATOM 1176 O LEU A 76 -2.185 -15.599 10.185 1.00 0.00 O ATOM 1177 CB LEU A 76 -2.379 -17.045 7.568 1.00 0.00 C ATOM 1178 CG LEU A 76 -2.320 -17.821 6.220 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -1.231 -17.292 5.269 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -2.190 -19.346 6.375 1.00 0.00 C ATOM 0 H LEU A 76 -1.993 -18.697 9.550 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.265 -16.944 7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.227 -17.435 8.132 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.603 -16.004 7.335 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.294 -17.628 5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.240 -17.873 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.426 -16.244 5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.255 -17.383 5.746 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.156 -19.810 5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.274 -19.580 6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.048 -19.730 6.927 1.00 0.00 H new ATOM 1192 N THR A 77 -0.020 -15.187 9.705 1.00 0.00 N ATOM 1193 CA THR A 77 0.113 -14.025 10.634 1.00 0.00 C ATOM 1194 C THR A 77 -0.405 -12.695 9.993 1.00 0.00 C ATOM 1195 O THR A 77 -0.204 -12.421 8.805 1.00 0.00 O ATOM 1196 CB THR A 77 1.570 -13.892 11.178 1.00 0.00 C ATOM 1197 OG1 THR A 77 2.516 -13.797 10.119 1.00 0.00 O ATOM 1198 CG2 THR A 77 2.020 -15.048 12.089 1.00 0.00 C ATOM 0 H THR A 77 0.840 -15.411 9.205 1.00 0.00 H new ATOM 0 HA THR A 77 -0.531 -14.222 11.491 1.00 0.00 H new ATOM 0 HB THR A 77 1.542 -12.979 11.772 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.418 -13.713 10.493 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.044 -14.873 12.420 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.362 -15.105 12.956 1.00 0.00 H new ATOM 0 HG23 THR A 77 1.973 -15.986 11.536 1.00 0.00 H new ATOM 1206 N PHE A 78 -1.106 -11.874 10.793 1.00 0.00 N ATOM 1207 CA PHE A 78 -1.829 -10.671 10.292 1.00 0.00 C ATOM 1208 C PHE A 78 -0.945 -9.408 10.465 1.00 0.00 C ATOM 1209 O PHE A 78 -0.387 -9.165 11.536 1.00 0.00 O ATOM 1210 CB PHE A 78 -3.189 -10.526 11.048 1.00 0.00 C ATOM 1211 CG PHE A 78 -4.276 -11.521 10.580 1.00 0.00 C ATOM 1212 CD1 PHE A 78 -4.226 -12.879 10.922 1.00 0.00 C ATOM 1213 CD2 PHE A 78 -5.317 -11.066 9.767 1.00 0.00 C ATOM 1214 CE1 PHE A 78 -5.193 -13.763 10.452 1.00 0.00 C ATOM 1215 CE2 PHE A 78 -6.292 -11.947 9.305 1.00 0.00 C ATOM 1216 CZ PHE A 78 -6.229 -13.295 9.648 1.00 0.00 C ATOM 0 H PHE A 78 -1.193 -12.015 11.799 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.040 -10.785 9.229 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.017 -10.667 12.115 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.560 -9.510 10.916 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.431 -13.243 11.556 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.366 -10.022 9.494 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.140 -14.810 10.711 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.096 -11.585 8.681 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.985 -13.978 9.290 1.00 0.00 H new ATOM 1226 N ASN A 79 -0.857 -8.568 9.427 1.00 0.00 N ATOM 1227 CA ASN A 79 -0.220 -7.230 9.534 1.00 0.00 C ATOM 1228 C ASN A 79 -1.012 -6.239 8.640 1.00 0.00 C ATOM 1229 O ASN A 79 -0.731 -6.096 7.447 1.00 0.00 O ATOM 1230 CB ASN A 79 1.321 -7.280 9.318 1.00 0.00 C ATOM 1231 CG ASN A 79 1.865 -7.696 7.940 1.00 0.00 C ATOM 1232 OD1 ASN A 79 1.457 -8.678 7.331 1.00 0.00 O ATOM 1233 ND2 ASN A 79 2.822 -6.976 7.405 1.00 0.00 N ATOM 0 H ASN A 79 -1.217 -8.783 8.497 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.286 -6.849 10.553 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.718 -6.290 9.544 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.735 -7.966 10.057 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.212 -7.238 6.499 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.177 -6.154 7.895 1.00 0.00 H new ATOM 1240 N SER A 80 -2.057 -5.577 9.181 1.00 0.00 N ATOM 1241 CA SER A 80 -2.843 -4.606 8.396 1.00 0.00 C ATOM 1242 C SER A 80 -3.401 -3.504 9.326 1.00 0.00 C ATOM 1243 O SER A 80 -4.290 -3.740 10.151 1.00 0.00 O ATOM 1244 CB SER A 80 -3.938 -5.380 7.643 1.00 0.00 C ATOM 1245 OG SER A 80 -3.381 -6.031 6.500 1.00 0.00 O ATOM 0 H SER A 80 -2.371 -5.696 10.144 1.00 0.00 H new ATOM 0 HA SER A 80 -2.225 -4.093 7.659 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.394 -6.117 8.305 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.729 -4.697 7.333 1.00 0.00 H new ATOM 0 HG SER A 80 -2.406 -6.068 6.588 1.00 0.00 H new ATOM 1251 N VAL A 81 -2.903 -2.275 9.125 1.00 0.00 N ATOM 1252 CA VAL A 81 -3.484 -1.037 9.728 1.00 0.00 C ATOM 1253 C VAL A 81 -5.009 -0.809 9.486 1.00 0.00 C ATOM 1254 O VAL A 81 -5.705 -0.413 10.417 1.00 0.00 O ATOM 1255 CB VAL A 81 -2.591 0.182 9.343 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -2.641 0.572 7.857 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -2.872 1.422 10.213 1.00 0.00 C ATOM 0 H VAL A 81 -2.086 -2.097 8.541 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.463 -1.171 10.810 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.580 -0.173 9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.990 1.429 7.684 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.305 -0.268 7.249 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.663 0.832 7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.222 2.240 9.901 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.914 1.721 10.095 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.679 1.184 11.259 1.00 0.00 H new ATOM 1267 N VAL A 82 -5.544 -1.104 8.288 1.00 0.00 N ATOM 1268 CA VAL A 82 -7.018 -1.108 8.071 1.00 0.00 C ATOM 1269 C VAL A 82 -7.813 -2.220 8.829 1.00 0.00 C ATOM 1270 O VAL A 82 -8.979 -1.963 9.091 1.00 0.00 O ATOM 1271 CB VAL A 82 -7.468 -1.093 6.571 1.00 0.00 C ATOM 1272 CG1 VAL A 82 -7.097 0.219 5.851 1.00 0.00 C ATOM 1273 CG2 VAL A 82 -7.024 -2.305 5.723 1.00 0.00 C ATOM 0 H VAL A 82 -4.995 -1.341 7.461 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.283 -0.150 8.519 1.00 0.00 H new ATOM 0 HB VAL A 82 -8.553 -1.168 6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.433 0.173 4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.580 1.058 6.352 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.016 0.355 5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.390 -2.189 4.703 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.936 -2.363 5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.432 -3.219 6.154 1.00 0.00 H new ATOM 1283 N GLU A 83 -7.295 -3.420 9.166 1.00 0.00 N ATOM 1284 CA GLU A 83 -8.108 -4.471 9.869 1.00 0.00 C ATOM 1285 C GLU A 83 -8.590 -4.101 11.306 1.00 0.00 C ATOM 1286 O GLU A 83 -9.773 -4.277 11.612 1.00 0.00 O ATOM 1287 CB GLU A 83 -7.406 -5.852 9.827 1.00 0.00 C ATOM 1288 CG GLU A 83 -7.358 -6.461 8.412 1.00 0.00 C ATOM 1289 CD GLU A 83 -6.826 -7.889 8.327 1.00 0.00 C ATOM 1290 OE1 GLU A 83 -5.764 -8.185 7.787 1.00 0.00 O ATOM 1291 OE2 GLU A 83 -7.672 -8.792 8.904 1.00 0.00 O ATOM 0 H GLU A 83 -6.332 -3.696 8.972 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.032 -4.532 9.294 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.389 -5.748 10.206 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.927 -6.539 10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.364 -6.442 7.993 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.738 -5.823 7.782 1.00 0.00 H new ATOM 1299 N LEU A 84 -7.713 -3.514 12.142 1.00 0.00 N ATOM 1300 CA LEU A 84 -8.157 -2.754 13.357 1.00 0.00 C ATOM 1301 C LEU A 84 -9.204 -1.610 13.100 1.00 0.00 C ATOM 1302 O LEU A 84 -10.193 -1.501 13.830 1.00 0.00 O ATOM 1303 CB LEU A 84 -6.913 -2.293 14.179 1.00 0.00 C ATOM 1304 CG LEU A 84 -6.182 -1.000 13.708 1.00 0.00 C ATOM 1305 CD1 LEU A 84 -6.649 0.257 14.461 1.00 0.00 C ATOM 1306 CD2 LEU A 84 -4.665 -1.096 13.814 1.00 0.00 C ATOM 0 H LEU A 84 -6.702 -3.542 12.013 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.735 -3.453 13.961 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.228 -2.145 15.212 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.189 -3.108 14.180 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.454 -0.908 12.656 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.105 1.126 14.091 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.717 0.402 14.300 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.456 0.135 15.527 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.217 -0.164 13.471 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.383 -1.274 14.852 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.308 -1.919 13.195 1.00 0.00 H new ATOM 1318 N ILE A 85 -8.994 -0.779 12.055 1.00 0.00 N ATOM 1319 CA ILE A 85 -9.910 0.340 11.700 1.00 0.00 C ATOM 1320 C ILE A 85 -11.278 -0.200 11.122 1.00 0.00 C ATOM 1321 O ILE A 85 -12.334 0.214 11.592 1.00 0.00 O ATOM 1322 CB ILE A 85 -9.251 1.419 10.758 1.00 0.00 C ATOM 1323 CG1 ILE A 85 -7.844 1.938 11.184 1.00 0.00 C ATOM 1324 CG2 ILE A 85 -10.163 2.665 10.619 1.00 0.00 C ATOM 1325 CD1 ILE A 85 -7.047 2.651 10.071 1.00 0.00 C ATOM 0 H ILE A 85 -8.190 -0.860 11.433 1.00 0.00 H new ATOM 0 HA ILE A 85 -10.125 0.865 12.631 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.127 0.876 9.821 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.965 2.626 12.021 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.257 1.094 11.547 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.686 3.394 9.964 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -11.122 2.368 10.194 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.324 3.110 11.601 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.083 2.975 10.464 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.887 1.964 9.240 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.607 3.519 9.721 1.00 0.00 H new ATOM 1337 N ASN A 86 -11.259 -1.110 10.123 1.00 0.00 N ATOM 1338 CA ASN A 86 -12.441 -1.807 9.547 1.00 0.00 C ATOM 1339 C ASN A 86 -13.388 -2.538 10.548 1.00 0.00 C ATOM 1340 O ASN A 86 -14.604 -2.409 10.401 1.00 0.00 O ATOM 1341 CB ASN A 86 -11.959 -2.758 8.418 1.00 0.00 C ATOM 1342 CG ASN A 86 -11.470 -2.108 7.110 1.00 0.00 C ATOM 1343 OD1 ASN A 86 -11.557 -0.906 6.868 1.00 0.00 O ATOM 1344 ND2 ASN A 86 -10.952 -2.904 6.207 1.00 0.00 N ATOM 0 H ASN A 86 -10.388 -1.393 9.675 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.083 -1.017 9.158 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -11.149 -3.370 8.815 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.778 -3.434 8.173 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -10.628 -2.524 5.318 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -10.873 -3.904 6.393 1.00 0.00 H new ATOM 1351 N HIS A 87 -12.868 -3.227 11.583 1.00 0.00 N ATOM 1352 CA HIS A 87 -13.674 -3.633 12.778 1.00 0.00 C ATOM 1353 C HIS A 87 -14.573 -2.512 13.425 1.00 0.00 C ATOM 1354 O HIS A 87 -15.747 -2.754 13.713 1.00 0.00 O ATOM 1355 CB HIS A 87 -12.660 -4.264 13.773 1.00 0.00 C ATOM 1356 CG HIS A 87 -13.279 -4.933 14.997 1.00 0.00 C ATOM 1357 ND1 HIS A 87 -13.749 -6.230 15.019 1.00 0.00 N ATOM 1358 CD2 HIS A 87 -13.423 -4.351 16.267 1.00 0.00 C ATOM 1359 CE1 HIS A 87 -14.154 -6.316 16.324 1.00 0.00 C ATOM 1360 NE2 HIS A 87 -13.979 -5.249 17.167 1.00 0.00 N ATOM 0 H HIS A 87 -11.892 -3.520 11.626 1.00 0.00 H new ATOM 0 HA HIS A 87 -14.439 -4.344 12.466 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -12.063 -5.003 13.238 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -11.976 -3.486 14.112 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -13.139 -3.338 16.511 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -14.611 -7.224 16.689 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -14.193 -5.146 18.159 1.00 0.00 H new ATOM 1368 N TYR A 88 -14.037 -1.296 13.616 1.00 0.00 N ATOM 1369 CA TYR A 88 -14.803 -0.121 14.111 1.00 0.00 C ATOM 1370 C TYR A 88 -15.519 0.761 13.018 1.00 0.00 C ATOM 1371 O TYR A 88 -16.480 1.453 13.354 1.00 0.00 O ATOM 1372 CB TYR A 88 -13.819 0.656 15.029 1.00 0.00 C ATOM 1373 CG TYR A 88 -13.495 -0.034 16.370 1.00 0.00 C ATOM 1374 CD1 TYR A 88 -14.448 -0.055 17.395 1.00 0.00 C ATOM 1375 CD2 TYR A 88 -12.221 -0.564 16.604 1.00 0.00 C ATOM 1376 CE1 TYR A 88 -14.130 -0.599 18.637 1.00 0.00 C ATOM 1377 CE2 TYR A 88 -11.904 -1.101 17.850 1.00 0.00 C ATOM 1378 CZ TYR A 88 -12.857 -1.116 18.864 1.00 0.00 C ATOM 1379 OH TYR A 88 -12.527 -1.617 20.094 1.00 0.00 O ATOM 0 H TYR A 88 -13.055 -1.090 13.433 1.00 0.00 H new ATOM 0 HA TYR A 88 -15.680 -0.462 14.661 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -12.888 0.815 14.485 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -14.239 1.640 15.236 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -15.433 0.352 17.222 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -11.482 -0.557 15.817 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -14.870 -0.620 19.423 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.919 -1.506 18.029 1.00 0.00 H new ATOM 0 HH TYR A 88 -11.601 -1.938 20.079 1.00 0.00 H new ATOM 1389 N ARG A 89 -15.148 0.693 11.722 1.00 0.00 N ATOM 1390 CA ARG A 89 -16.040 1.079 10.581 1.00 0.00 C ATOM 1391 C ARG A 89 -17.274 0.133 10.360 1.00 0.00 C ATOM 1392 O ARG A 89 -18.282 0.566 9.800 1.00 0.00 O ATOM 1393 CB ARG A 89 -15.215 1.127 9.264 1.00 0.00 C ATOM 1394 CG ARG A 89 -14.086 2.185 9.150 1.00 0.00 C ATOM 1395 CD ARG A 89 -13.021 1.781 8.114 1.00 0.00 C ATOM 1396 NE ARG A 89 -12.129 2.915 7.770 1.00 0.00 N ATOM 1397 CZ ARG A 89 -11.019 2.833 7.047 1.00 0.00 C ATOM 1398 NH1 ARG A 89 -10.553 1.726 6.518 1.00 0.00 N ATOM 1399 NH2 ARG A 89 -10.360 3.938 6.866 1.00 0.00 N ATOM 0 H ARG A 89 -14.227 0.371 11.426 1.00 0.00 H new ATOM 0 HA ARG A 89 -16.441 2.057 10.848 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -14.768 0.144 9.114 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -15.910 1.290 8.440 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.517 3.147 8.871 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.613 2.318 10.123 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.426 0.957 8.507 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.512 1.418 7.211 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.391 3.837 8.119 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.053 0.847 6.651 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -9.691 1.745 5.974 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.703 4.809 7.271 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -9.499 3.935 6.318 1.00 0.00 H new ATOM 1412 N ASN A 90 -17.221 -1.131 10.822 1.00 0.00 N ATOM 1413 CA ASN A 90 -18.420 -1.986 11.029 1.00 0.00 C ATOM 1414 C ASN A 90 -19.491 -1.502 12.076 1.00 0.00 C ATOM 1415 O ASN A 90 -20.580 -2.078 12.135 1.00 0.00 O ATOM 1416 CB ASN A 90 -17.900 -3.425 11.349 1.00 0.00 C ATOM 1417 CG ASN A 90 -18.719 -4.579 10.760 1.00 0.00 C ATOM 1418 OD1 ASN A 90 -18.298 -5.264 9.836 1.00 0.00 O ATOM 1419 ND2 ASN A 90 -19.899 -4.848 11.265 1.00 0.00 N ATOM 0 H ASN A 90 -16.346 -1.595 11.065 1.00 0.00 H new ATOM 0 HA ASN A 90 -18.999 -1.938 10.107 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -16.876 -3.509 10.986 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -17.865 -3.545 12.432 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -20.452 -5.618 10.888 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -20.264 -4.287 12.035 1.00 0.00 H new ATOM 1426 N GLU A 91 -19.192 -0.483 12.903 1.00 0.00 N ATOM 1427 CA GLU A 91 -20.085 -0.011 13.989 1.00 0.00 C ATOM 1428 C GLU A 91 -19.872 1.509 14.254 1.00 0.00 C ATOM 1429 O GLU A 91 -20.579 2.337 13.673 1.00 0.00 O ATOM 1430 CB GLU A 91 -19.990 -0.942 15.239 1.00 0.00 C ATOM 1431 CG GLU A 91 -18.574 -1.330 15.768 1.00 0.00 C ATOM 1432 CD GLU A 91 -18.443 -1.393 17.285 1.00 0.00 C ATOM 1433 OE1 GLU A 91 -18.597 -2.413 17.949 1.00 0.00 O ATOM 1434 OE2 GLU A 91 -18.132 -0.181 17.824 1.00 0.00 O ATOM 0 H GLU A 91 -18.320 0.042 12.840 1.00 0.00 H new ATOM 0 HA GLU A 91 -21.127 -0.091 13.678 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.529 -0.459 16.054 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -20.522 -1.864 15.007 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -18.303 -2.302 15.355 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -17.851 -0.609 15.386 1.00 0.00 H new ATOM 1442 N SER A 92 -18.945 1.867 15.158 1.00 0.00 N ATOM 1443 CA SER A 92 -18.807 3.248 15.677 1.00 0.00 C ATOM 1444 C SER A 92 -17.334 3.525 16.115 1.00 0.00 C ATOM 1445 O SER A 92 -16.912 3.062 17.183 1.00 0.00 O ATOM 1446 CB SER A 92 -19.817 3.404 16.848 1.00 0.00 C ATOM 1447 OG SER A 92 -19.400 2.686 18.012 1.00 0.00 O ATOM 0 H SER A 92 -18.269 1.213 15.552 1.00 0.00 H new ATOM 0 HA SER A 92 -19.033 3.985 14.907 1.00 0.00 H new ATOM 0 HB2 SER A 92 -19.928 4.460 17.093 1.00 0.00 H new ATOM 0 HB3 SER A 92 -20.797 3.046 16.532 1.00 0.00 H new ATOM 0 HG SER A 92 -18.436 2.516 17.964 1.00 0.00 H new ATOM 1453 N LEU A 93 -16.567 4.324 15.349 1.00 0.00 N ATOM 1454 CA LEU A 93 -15.160 4.697 15.733 1.00 0.00 C ATOM 1455 C LEU A 93 -14.957 5.545 17.040 1.00 0.00 C ATOM 1456 O LEU A 93 -13.868 5.492 17.616 1.00 0.00 O ATOM 1457 CB LEU A 93 -14.413 5.321 14.523 1.00 0.00 C ATOM 1458 CG LEU A 93 -14.135 4.368 13.322 1.00 0.00 C ATOM 1459 CD1 LEU A 93 -15.075 4.651 12.142 1.00 0.00 C ATOM 1460 CD2 LEU A 93 -12.680 4.438 12.831 1.00 0.00 C ATOM 0 H LEU A 93 -16.879 4.729 14.466 1.00 0.00 H new ATOM 0 HA LEU A 93 -14.714 3.742 16.012 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.995 6.168 14.161 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -13.460 5.716 14.875 1.00 0.00 H new ATOM 0 HG LEU A 93 -14.321 3.363 13.701 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.849 3.966 11.325 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -16.109 4.511 12.458 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -14.935 5.678 11.804 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.545 3.753 11.994 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -12.453 5.454 12.509 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -12.008 4.156 13.642 1.00 0.00 H new ATOM 1472 N ALA A 94 -15.977 6.237 17.581 1.00 0.00 N ATOM 1473 CA ALA A 94 -15.933 6.739 18.987 1.00 0.00 C ATOM 1474 C ALA A 94 -15.881 5.654 20.128 1.00 0.00 C ATOM 1475 O ALA A 94 -15.326 5.932 21.192 1.00 0.00 O ATOM 1476 CB ALA A 94 -17.142 7.674 19.157 1.00 0.00 C ATOM 0 H ALA A 94 -16.837 6.465 17.081 1.00 0.00 H new ATOM 0 HA ALA A 94 -14.978 7.248 19.117 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -17.156 8.070 20.173 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -17.067 8.498 18.448 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -18.061 7.118 18.972 1.00 0.00 H new ATOM 1482 N GLN A 95 -16.389 4.420 19.902 1.00 0.00 N ATOM 1483 CA GLN A 95 -16.069 3.241 20.763 1.00 0.00 C ATOM 1484 C GLN A 95 -14.622 2.650 20.592 1.00 0.00 C ATOM 1485 O GLN A 95 -14.160 1.940 21.490 1.00 0.00 O ATOM 1486 CB GLN A 95 -17.182 2.180 20.515 1.00 0.00 C ATOM 1487 CG GLN A 95 -17.181 0.907 21.406 1.00 0.00 C ATOM 1488 CD GLN A 95 -17.344 1.129 22.915 1.00 0.00 C ATOM 1489 OE1 GLN A 95 -18.444 1.179 23.452 1.00 0.00 O ATOM 1490 NE2 GLN A 95 -16.260 1.257 23.644 1.00 0.00 N ATOM 0 H GLN A 95 -17.023 4.208 19.132 1.00 0.00 H new ATOM 0 HA GLN A 95 -16.059 3.571 21.802 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -18.147 2.672 20.636 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -17.115 1.861 19.475 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -17.985 0.253 21.068 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -16.245 0.374 21.238 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -15.341 1.216 23.203 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -16.337 1.397 24.651 1.00 0.00 H new ATOM 1499 N TYR A 96 -13.897 2.953 19.493 1.00 0.00 N ATOM 1500 CA TYR A 96 -12.424 2.770 19.430 1.00 0.00 C ATOM 1501 C TYR A 96 -11.659 3.770 20.371 1.00 0.00 C ATOM 1502 O TYR A 96 -10.999 3.335 21.315 1.00 0.00 O ATOM 1503 CB TYR A 96 -11.975 2.843 17.928 1.00 0.00 C ATOM 1504 CG TYR A 96 -10.500 2.582 17.539 1.00 0.00 C ATOM 1505 CD1 TYR A 96 -9.550 2.043 18.418 1.00 0.00 C ATOM 1506 CD2 TYR A 96 -10.076 3.034 16.282 1.00 0.00 C ATOM 1507 CE1 TYR A 96 -8.198 2.042 18.085 1.00 0.00 C ATOM 1508 CE2 TYR A 96 -8.723 3.030 15.948 1.00 0.00 C ATOM 1509 CZ TYR A 96 -7.786 2.558 16.860 1.00 0.00 C ATOM 1510 OH TYR A 96 -6.452 2.635 16.563 1.00 0.00 O ATOM 0 H TYR A 96 -14.305 3.326 18.636 1.00 0.00 H new ATOM 0 HA TYR A 96 -12.157 1.786 19.816 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -12.586 2.130 17.374 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -12.234 3.836 17.562 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -9.870 1.625 19.361 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -10.803 3.388 15.567 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -7.471 1.642 18.776 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.403 3.393 14.982 1.00 0.00 H new ATOM 0 HH TYR A 96 -6.338 3.018 15.668 1.00 0.00 H new ATOM 1520 N ASN A 97 -11.725 5.079 20.062 1.00 0.00 N ATOM 1521 CA ASN A 97 -10.835 6.158 20.592 1.00 0.00 C ATOM 1522 C ASN A 97 -11.082 7.446 19.714 1.00 0.00 C ATOM 1523 O ASN A 97 -11.534 8.435 20.300 1.00 0.00 O ATOM 1524 CB ASN A 97 -9.320 5.797 20.755 1.00 0.00 C ATOM 1525 CG ASN A 97 -8.444 6.875 21.401 1.00 0.00 C ATOM 1526 OD1 ASN A 97 -8.444 7.072 22.609 1.00 0.00 O ATOM 1527 ND2 ASN A 97 -7.671 7.605 20.634 1.00 0.00 N ATOM 0 H ASN A 97 -12.423 5.440 19.412 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.113 6.333 21.631 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.245 4.888 21.352 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.913 5.566 19.771 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.079 8.327 21.046 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.661 7.451 19.626 1.00 0.00 H new ATOM 1534 N PRO A 98 -10.838 7.520 18.361 1.00 0.00 N ATOM 1535 CA PRO A 98 -11.195 8.703 17.525 1.00 0.00 C ATOM 1536 C PRO A 98 -12.700 9.112 17.520 1.00 0.00 C ATOM 1537 O PRO A 98 -13.561 8.357 17.061 1.00 0.00 O ATOM 1538 CB PRO A 98 -10.700 8.266 16.126 1.00 0.00 C ATOM 1539 CG PRO A 98 -10.751 6.737 16.167 1.00 0.00 C ATOM 1540 CD PRO A 98 -10.219 6.442 17.560 1.00 0.00 C ATOM 0 HA PRO A 98 -10.740 9.614 17.914 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -11.337 8.664 15.336 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -9.689 8.625 15.932 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -11.764 6.358 16.028 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -10.133 6.287 15.390 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.516 5.453 17.909 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -9.130 6.480 17.597 1.00 0.00 H new ATOM 1548 N LYS A 99 -13.005 10.340 17.978 1.00 0.00 N ATOM 1549 CA LYS A 99 -14.405 10.858 18.057 1.00 0.00 C ATOM 1550 C LYS A 99 -15.031 11.228 16.661 1.00 0.00 C ATOM 1551 O LYS A 99 -15.262 12.391 16.314 1.00 0.00 O ATOM 1552 CB LYS A 99 -14.379 11.993 19.122 1.00 0.00 C ATOM 1553 CG LYS A 99 -15.722 12.651 19.526 1.00 0.00 C ATOM 1554 CD LYS A 99 -16.810 11.719 20.109 1.00 0.00 C ATOM 1555 CE LYS A 99 -17.971 11.464 19.131 1.00 0.00 C ATOM 1556 NZ LYS A 99 -19.009 10.643 19.783 1.00 0.00 N ATOM 0 H LYS A 99 -12.303 11.005 18.304 1.00 0.00 H new ATOM 0 HA LYS A 99 -15.102 10.083 18.378 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.921 11.591 20.025 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.721 12.780 18.754 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -15.512 13.428 20.261 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -16.135 13.147 18.647 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -16.356 10.766 20.382 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -17.204 12.158 21.025 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -18.398 12.413 18.805 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -17.602 10.957 18.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -19.773 10.447 19.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -18.592 9.746 20.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -19.395 11.157 20.601 1.00 0.00 H new ATOM 1569 N LEU A 100 -15.334 10.173 15.891 1.00 0.00 N ATOM 1570 CA LEU A 100 -16.129 10.236 14.637 1.00 0.00 C ATOM 1571 C LEU A 100 -17.611 9.767 14.873 1.00 0.00 C ATOM 1572 O LEU A 100 -18.540 10.445 14.434 1.00 0.00 O ATOM 1573 CB LEU A 100 -15.458 9.347 13.544 1.00 0.00 C ATOM 1574 CG LEU A 100 -13.986 9.593 13.105 1.00 0.00 C ATOM 1575 CD1 LEU A 100 -13.499 8.412 12.252 1.00 0.00 C ATOM 1576 CD2 LEU A 100 -13.840 10.922 12.344 1.00 0.00 C ATOM 0 H LEU A 100 -15.030 9.227 16.120 1.00 0.00 H new ATOM 0 HA LEU A 100 -16.154 11.273 14.303 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -15.520 8.315 13.889 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -16.075 9.421 12.649 1.00 0.00 H new ATOM 0 HG LEU A 100 -13.365 9.666 13.998 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.468 8.586 11.945 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -13.554 7.494 12.837 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -14.130 8.317 11.368 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.799 11.062 12.052 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -14.467 10.902 11.453 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -14.150 11.746 12.987 1.00 0.00 H new ATOM 1588 N ASP A 101 -17.822 8.589 15.513 1.00 0.00 N ATOM 1589 CA ASP A 101 -19.146 7.913 15.663 1.00 0.00 C ATOM 1590 C ASP A 101 -19.858 7.565 14.309 1.00 0.00 C ATOM 1591 O ASP A 101 -20.932 8.086 13.996 1.00 0.00 O ATOM 1592 CB ASP A 101 -19.989 8.671 16.723 1.00 0.00 C ATOM 1593 CG ASP A 101 -21.196 7.908 17.263 1.00 0.00 C ATOM 1594 OD1 ASP A 101 -21.149 6.743 17.647 1.00 0.00 O ATOM 1595 OD2 ASP A 101 -22.325 8.667 17.288 1.00 0.00 O ATOM 0 H ASP A 101 -17.063 8.067 15.951 1.00 0.00 H new ATOM 0 HA ASP A 101 -18.991 6.908 16.055 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -19.341 8.932 17.560 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -20.337 9.606 16.285 1.00 0.00 H new ATOM 1601 N VAL A 102 -19.227 6.686 13.507 1.00 0.00 N ATOM 1602 CA VAL A 102 -19.647 6.428 12.095 1.00 0.00 C ATOM 1603 C VAL A 102 -19.520 4.921 11.710 1.00 0.00 C ATOM 1604 O VAL A 102 -18.586 4.218 12.115 1.00 0.00 O ATOM 1605 CB VAL A 102 -18.891 7.326 11.048 1.00 0.00 C ATOM 1606 CG1 VAL A 102 -19.228 8.822 11.167 1.00 0.00 C ATOM 1607 CG2 VAL A 102 -17.357 7.155 10.993 1.00 0.00 C ATOM 0 H VAL A 102 -18.421 6.136 13.804 1.00 0.00 H new ATOM 0 HA VAL A 102 -20.700 6.706 12.055 1.00 0.00 H new ATOM 0 HB VAL A 102 -19.281 6.939 10.107 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -18.671 9.381 10.415 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -20.297 8.968 11.010 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -18.955 9.179 12.160 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -16.943 7.823 10.237 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -16.929 7.398 11.965 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -17.115 6.123 10.738 1.00 0.00 H new ATOM 1617 N LYS A 103 -20.430 4.478 10.829 1.00 0.00 N ATOM 1618 CA LYS A 103 -20.272 3.222 10.050 1.00 0.00 C ATOM 1619 C LYS A 103 -19.798 3.531 8.580 1.00 0.00 C ATOM 1620 O LYS A 103 -19.892 4.661 8.084 1.00 0.00 O ATOM 1621 CB LYS A 103 -21.648 2.497 10.145 1.00 0.00 C ATOM 1622 CG LYS A 103 -21.654 1.023 9.677 1.00 0.00 C ATOM 1623 CD LYS A 103 -22.983 0.303 9.960 1.00 0.00 C ATOM 1624 CE LYS A 103 -22.954 -1.150 9.457 1.00 0.00 C ATOM 1625 NZ LYS A 103 -24.233 -1.819 9.756 1.00 0.00 N ATOM 0 H LYS A 103 -21.299 4.974 10.630 1.00 0.00 H new ATOM 0 HA LYS A 103 -19.493 2.570 10.444 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -21.988 2.533 11.180 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -22.374 3.052 9.551 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -21.450 0.987 8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -20.845 0.487 10.174 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -23.183 0.314 11.031 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -23.799 0.840 9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -22.769 -1.167 8.383 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -22.134 -1.690 9.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -24.201 -2.800 9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -24.393 -1.818 10.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -25.009 -1.312 9.284 1.00 0.00 H new ATOM 1638 N LEU A 104 -19.319 2.502 7.855 1.00 0.00 N ATOM 1639 CA LEU A 104 -19.086 2.569 6.380 1.00 0.00 C ATOM 1640 C LEU A 104 -20.384 2.881 5.558 1.00 0.00 C ATOM 1641 O LEU A 104 -21.323 2.082 5.499 1.00 0.00 O ATOM 1642 CB LEU A 104 -18.375 1.242 5.966 1.00 0.00 C ATOM 1643 CG LEU A 104 -18.081 0.894 4.470 1.00 0.00 C ATOM 1644 CD1 LEU A 104 -19.205 0.064 3.823 1.00 0.00 C ATOM 1645 CD2 LEU A 104 -17.743 2.079 3.544 1.00 0.00 C ATOM 0 H LEU A 104 -19.080 1.599 8.264 1.00 0.00 H new ATOM 0 HA LEU A 104 -18.443 3.416 6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.418 1.221 6.488 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.975 0.425 6.367 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.169 0.303 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -18.949 -0.149 2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.325 -0.873 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -20.138 0.626 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -17.559 1.711 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -18.579 2.779 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -16.852 2.586 3.913 1.00 0.00 H new ATOM 1657 N LEU A 105 -20.391 4.056 4.908 1.00 0.00 N ATOM 1658 CA LEU A 105 -21.456 4.464 3.951 1.00 0.00 C ATOM 1659 C LEU A 105 -21.035 4.108 2.490 1.00 0.00 C ATOM 1660 O LEU A 105 -21.512 3.111 1.943 1.00 0.00 O ATOM 1661 CB LEU A 105 -21.762 5.976 4.194 1.00 0.00 C ATOM 1662 CG LEU A 105 -22.778 6.403 5.293 1.00 0.00 C ATOM 1663 CD1 LEU A 105 -23.099 5.388 6.412 1.00 0.00 C ATOM 1664 CD2 LEU A 105 -22.318 7.695 5.958 1.00 0.00 C ATOM 0 H LEU A 105 -19.660 4.758 5.025 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.384 3.916 4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -20.815 6.465 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -22.115 6.390 3.249 1.00 0.00 H new ATOM 0 HG LEU A 105 -23.705 6.507 4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -23.820 5.824 7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -23.519 4.483 5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -22.185 5.139 6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -23.036 7.985 6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -21.341 7.541 6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -22.248 8.484 5.210 1.00 0.00 H new ATOM 1676 N TYR A 106 -20.159 4.911 1.852 1.00 0.00 N ATOM 1677 CA TYR A 106 -19.749 4.709 0.438 1.00 0.00 C ATOM 1678 C TYR A 106 -18.373 5.415 0.163 1.00 0.00 C ATOM 1679 O TYR A 106 -18.248 6.590 0.525 1.00 0.00 O ATOM 1680 CB TYR A 106 -20.858 5.269 -0.503 1.00 0.00 C ATOM 1681 CG TYR A 106 -20.749 4.816 -1.968 1.00 0.00 C ATOM 1682 CD1 TYR A 106 -21.281 3.584 -2.364 1.00 0.00 C ATOM 1683 CD2 TYR A 106 -20.102 5.620 -2.912 1.00 0.00 C ATOM 1684 CE1 TYR A 106 -21.163 3.161 -3.687 1.00 0.00 C ATOM 1685 CE2 TYR A 106 -19.981 5.193 -4.232 1.00 0.00 C ATOM 1686 CZ TYR A 106 -20.513 3.967 -4.619 1.00 0.00 C ATOM 1687 OH TYR A 106 -20.398 3.561 -5.921 1.00 0.00 O ATOM 0 H TYR A 106 -19.715 5.715 2.296 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.623 3.644 0.243 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -21.831 4.967 -0.115 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -20.827 6.358 -0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.785 2.958 -1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -19.695 6.576 -2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -21.575 2.210 -3.989 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -19.474 5.814 -4.956 1.00 0.00 H new ATOM 0 HH TYR A 106 -19.918 4.243 -6.435 1.00 0.00 H new ATOM 1697 N PRO A 107 -17.350 4.816 -0.505 1.00 0.00 N ATOM 1698 CA PRO A 107 -16.128 5.555 -0.929 1.00 0.00 C ATOM 1699 C PRO A 107 -16.289 6.357 -2.258 1.00 0.00 C ATOM 1700 O PRO A 107 -16.829 5.868 -3.256 1.00 0.00 O ATOM 1701 CB PRO A 107 -15.144 4.381 -1.068 1.00 0.00 C ATOM 1702 CG PRO A 107 -15.980 3.194 -1.555 1.00 0.00 C ATOM 1703 CD PRO A 107 -17.328 3.379 -0.859 1.00 0.00 C ATOM 0 HA PRO A 107 -15.829 6.341 -0.236 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -14.350 4.617 -1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -14.665 4.157 -0.115 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -16.087 3.200 -2.640 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -15.519 2.244 -1.285 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -18.157 3.117 -1.517 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -17.411 2.748 0.026 1.00 0.00 H new ATOM 1711 N VAL A 108 -15.732 7.577 -2.290 1.00 0.00 N ATOM 1712 CA VAL A 108 -15.642 8.396 -3.539 1.00 0.00 C ATOM 1713 C VAL A 108 -14.410 7.887 -4.376 1.00 0.00 C ATOM 1714 O VAL A 108 -13.282 8.375 -4.241 1.00 0.00 O ATOM 1715 CB VAL A 108 -15.623 9.921 -3.173 1.00 0.00 C ATOM 1716 CG1 VAL A 108 -15.498 10.847 -4.402 1.00 0.00 C ATOM 1717 CG2 VAL A 108 -16.858 10.413 -2.374 1.00 0.00 C ATOM 0 H VAL A 108 -15.332 8.032 -1.469 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.517 8.275 -4.178 1.00 0.00 H new ATOM 0 HB VAL A 108 -14.735 9.989 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -15.491 11.887 -4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -14.571 10.627 -4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -16.344 10.682 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.756 11.478 -2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.762 10.242 -2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -16.925 9.865 -1.434 1.00 0.00 H new ATOM 1727 N SER A 109 -14.646 6.860 -5.212 1.00 0.00 N ATOM 1728 CA SER A 109 -13.574 6.126 -5.934 1.00 0.00 C ATOM 1729 C SER A 109 -13.249 6.770 -7.316 1.00 0.00 C ATOM 1730 O SER A 109 -14.063 6.693 -8.243 1.00 0.00 O ATOM 1731 CB SER A 109 -14.037 4.656 -6.085 1.00 0.00 C ATOM 1732 OG SER A 109 -15.158 4.543 -6.968 1.00 0.00 O ATOM 0 H SER A 109 -15.583 6.510 -5.411 1.00 0.00 H new ATOM 0 HA SER A 109 -12.646 6.174 -5.364 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.213 4.052 -6.464 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.302 4.256 -5.107 1.00 0.00 H new ATOM 0 HG SER A 109 -15.099 5.232 -7.662 1.00 0.00 H new ATOM 1738 N LYS A 110 -12.069 7.405 -7.442 1.00 0.00 N ATOM 1739 CA LYS A 110 -11.698 8.233 -8.635 1.00 0.00 C ATOM 1740 C LYS A 110 -12.602 9.497 -8.913 1.00 0.00 C ATOM 1741 O LYS A 110 -12.885 9.837 -10.066 1.00 0.00 O ATOM 1742 CB LYS A 110 -11.400 7.320 -9.865 1.00 0.00 C ATOM 1743 CG LYS A 110 -10.456 7.941 -10.922 1.00 0.00 C ATOM 1744 CD LYS A 110 -10.202 7.002 -12.116 1.00 0.00 C ATOM 1745 CE LYS A 110 -9.227 7.618 -13.132 1.00 0.00 C ATOM 1746 NZ LYS A 110 -9.013 6.691 -14.258 1.00 0.00 N ATOM 0 H LYS A 110 -11.339 7.367 -6.730 1.00 0.00 H new ATOM 0 HA LYS A 110 -10.763 8.734 -8.385 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -10.961 6.388 -9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -12.344 7.064 -10.347 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -10.887 8.874 -11.284 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.505 8.190 -10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.800 6.056 -11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -11.148 6.779 -12.610 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.624 8.564 -13.500 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.276 7.838 -12.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.352 7.118 -14.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.615 5.799 -13.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.921 6.502 -14.729 1.00 0.00 H new ATOM 1759 N TYR A 111 -13.017 10.207 -7.837 1.00 0.00 N ATOM 1760 CA TYR A 111 -13.842 11.442 -7.889 1.00 0.00 C ATOM 1761 C TYR A 111 -15.210 11.243 -8.579 1.00 0.00 C ATOM 1762 O TYR A 111 -16.264 11.108 -7.957 1.00 0.00 O ATOM 1763 CB TYR A 111 -13.040 12.690 -8.362 1.00 0.00 C ATOM 1764 CG TYR A 111 -13.723 14.047 -8.093 1.00 0.00 C ATOM 1765 CD1 TYR A 111 -13.981 14.468 -6.781 1.00 0.00 C ATOM 1766 CD2 TYR A 111 -14.130 14.854 -9.161 1.00 0.00 C ATOM 1767 CE1 TYR A 111 -14.671 15.653 -6.546 1.00 0.00 C ATOM 1768 CE2 TYR A 111 -14.805 16.049 -8.923 1.00 0.00 C ATOM 1769 CZ TYR A 111 -15.081 16.444 -7.616 1.00 0.00 C ATOM 1770 OH TYR A 111 -15.774 17.603 -7.386 1.00 0.00 O ATOM 0 H TYR A 111 -12.782 9.931 -6.883 1.00 0.00 H new ATOM 0 HA TYR A 111 -14.109 11.670 -6.857 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -12.068 12.686 -7.869 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.855 12.600 -9.432 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -13.642 13.869 -5.948 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -13.920 14.549 -10.175 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -14.889 15.959 -5.533 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -15.114 16.669 -9.751 1.00 0.00 H new ATOM 0 HH TYR A 111 -15.983 18.035 -8.241 1.00 0.00 H new TER 1780 TYR A 111 ATOM 1781 N SER B 182 -12.649 20.478 10.638 1.00 0.00 N ATOM 1782 CA SER B 182 -11.257 20.917 10.370 1.00 0.00 C ATOM 1783 C SER B 182 -10.695 20.195 9.115 1.00 0.00 C ATOM 1784 O SER B 182 -9.965 19.198 9.209 1.00 0.00 O ATOM 1785 CB SER B 182 -10.415 20.696 11.647 1.00 0.00 C ATOM 1786 OG SER B 182 -10.872 21.549 12.693 1.00 0.00 O ATOM 0 HA SER B 182 -11.220 21.981 10.136 1.00 0.00 H new ATOM 0 HB2 SER B 182 -10.484 19.655 11.961 1.00 0.00 H new ATOM 0 HB3 SER B 182 -9.364 20.897 11.438 1.00 0.00 H new ATOM 0 HG SER B 182 -11.841 21.673 12.614 1.00 0.00 H new ATOM 1792 N VAL B 183 -11.034 20.696 7.908 1.00 0.00 N ATOM 1793 CA VAL B 183 -10.752 19.955 6.641 1.00 0.00 C ATOM 1794 C VAL B 183 -9.303 20.201 6.109 1.00 0.00 C ATOM 1795 O VAL B 183 -9.070 20.895 5.118 1.00 0.00 O ATOM 1796 CB VAL B 183 -11.944 20.050 5.621 1.00 0.00 C ATOM 1797 CG1 VAL B 183 -11.680 19.388 4.240 1.00 0.00 C ATOM 1798 CG2 VAL B 183 -13.203 19.341 6.181 1.00 0.00 C ATOM 0 H VAL B 183 -11.496 21.595 7.775 1.00 0.00 H new ATOM 0 HA VAL B 183 -10.722 18.886 6.853 1.00 0.00 H new ATOM 0 HB VAL B 183 -12.076 21.123 5.483 1.00 0.00 H new ATOM 0 HG11 VAL B 183 -12.559 19.505 3.606 1.00 0.00 H new ATOM 0 HG12 VAL B 183 -10.824 19.867 3.765 1.00 0.00 H new ATOM 0 HG13 VAL B 183 -11.472 18.327 4.379 1.00 0.00 H new ATOM 0 HG21 VAL B 183 -14.016 19.419 5.459 1.00 0.00 H new ATOM 0 HG22 VAL B 183 -12.978 18.290 6.362 1.00 0.00 H new ATOM 0 HG23 VAL B 183 -13.502 19.815 7.116 1.00 0.00 H new ATOM 1808 N ASP B 184 -8.326 19.524 6.739 1.00 0.00 N ATOM 1809 CA ASP B 184 -7.043 19.152 6.092 1.00 0.00 C ATOM 1810 C ASP B 184 -6.567 17.770 6.626 1.00 0.00 C ATOM 1811 O ASP B 184 -6.918 16.763 6.000 1.00 0.00 O ATOM 1812 CB ASP B 184 -5.990 20.305 6.176 1.00 0.00 C ATOM 1813 CG ASP B 184 -5.726 21.129 4.915 1.00 0.00 C ATOM 1814 OD1 ASP B 184 -4.593 21.358 4.508 1.00 0.00 O ATOM 1815 OD2 ASP B 184 -6.855 21.578 4.290 1.00 0.00 O ATOM 0 H ASP B 184 -8.398 19.217 7.709 1.00 0.00 H new ATOM 0 HA ASP B 184 -7.191 19.023 5.020 1.00 0.00 H new ATOM 0 HB2 ASP B 184 -6.307 20.990 6.962 1.00 0.00 H new ATOM 0 HB3 ASP B 184 -5.043 19.870 6.495 1.00 0.00 H new HETATM 1821 N PTR B 185 -5.759 17.722 7.708 1.00 0.00 N HETATM 1822 CA PTR B 185 -4.847 16.571 7.970 1.00 0.00 C HETATM 1823 C PTR B 185 -4.802 16.271 9.489 1.00 0.00 C HETATM 1824 O PTR B 185 -4.402 17.124 10.290 1.00 0.00 O HETATM 1825 CB PTR B 185 -3.394 16.824 7.450 1.00 0.00 C HETATM 1826 CG PTR B 185 -3.218 17.203 5.965 1.00 0.00 C HETATM 1827 CD1 PTR B 185 -2.543 18.377 5.616 1.00 0.00 C HETATM 1828 CD2 PTR B 185 -3.777 16.411 4.956 1.00 0.00 C HETATM 1829 CE1 PTR B 185 -2.469 18.771 4.285 1.00 0.00 C HETATM 1830 CE2 PTR B 185 -3.716 16.828 3.633 1.00 0.00 C HETATM 1831 CZ PTR B 185 -3.085 18.018 3.281 1.00 0.00 C HETATM 1832 OH PTR B 185 -3.131 18.350 1.926 1.00 0.00 O HETATM 1833 P PTR B 185 -2.566 19.757 1.307 1.00 0.00 P HETATM 1834 O1P PTR B 185 -3.062 19.894 -0.213 1.00 0.00 O HETATM 1835 O2P PTR B 185 -3.104 21.007 2.159 1.00 0.00 O HETATM 1836 O3P PTR B 185 -1.004 19.773 1.328 1.00 0.00 O HETATM 0 HE2 PTR B 185 -4.170 16.213 2.856 1.00 0.00 H new HETATM 0 HE1 PTR B 185 -1.924 19.678 4.021 1.00 0.00 H new HETATM 0 HD2 PTR B 185 -4.260 15.467 5.208 1.00 0.00 H new HETATM 0 HD1 PTR B 185 -2.074 18.985 6.390 1.00 0.00 H new HETATM 0 HB3 PTR B 185 -2.956 17.619 8.053 1.00 0.00 H new HETATM 0 HB2 PTR B 185 -2.809 15.923 7.637 1.00 0.00 H new HETATM 0 HA PTR B 185 -5.248 15.717 7.424 1.00 0.00 H new HETATM 0 H PTR B 185 -6.238 18.180 8.483 1.00 0.00 H new ATOM 1846 N VAL B 186 -5.185 15.038 9.868 1.00 0.00 N ATOM 1847 CA VAL B 186 -5.068 14.536 11.271 1.00 0.00 C ATOM 1848 C VAL B 186 -4.553 13.050 11.158 1.00 0.00 C ATOM 1849 O VAL B 186 -5.363 12.171 10.843 1.00 0.00 O ATOM 1850 CB VAL B 186 -6.398 14.710 12.088 1.00 0.00 C ATOM 1851 CG1 VAL B 186 -6.267 14.188 13.537 1.00 0.00 C ATOM 1852 CG2 VAL B 186 -6.893 16.177 12.192 1.00 0.00 C ATOM 0 H VAL B 186 -5.584 14.356 9.222 1.00 0.00 H new ATOM 0 HA VAL B 186 -4.358 15.124 11.852 1.00 0.00 H new ATOM 0 HB VAL B 186 -7.119 14.125 11.518 1.00 0.00 H new ATOM 0 HG11 VAL B 186 -7.212 14.330 14.062 1.00 0.00 H new ATOM 0 HG12 VAL B 186 -6.017 13.127 13.520 1.00 0.00 H new ATOM 0 HG13 VAL B 186 -5.480 14.738 14.052 1.00 0.00 H new ATOM 0 HG21 VAL B 186 -7.816 16.209 12.771 1.00 0.00 H new ATOM 0 HG22 VAL B 186 -6.133 16.783 12.685 1.00 0.00 H new ATOM 0 HG23 VAL B 186 -7.078 16.570 11.192 1.00 0.00 H new ATOM 1862 N PRO B 187 -3.248 12.692 11.367 1.00 0.00 N ATOM 1863 CA PRO B 187 -2.737 11.331 11.027 1.00 0.00 C ATOM 1864 C PRO B 187 -3.013 10.223 12.101 1.00 0.00 C ATOM 1865 O PRO B 187 -2.155 9.894 12.924 1.00 0.00 O ATOM 1866 CB PRO B 187 -1.247 11.629 10.755 1.00 0.00 C ATOM 1867 CG PRO B 187 -0.903 12.813 11.660 1.00 0.00 C ATOM 1868 CD PRO B 187 -2.171 13.665 11.648 1.00 0.00 C ATOM 0 HA PRO B 187 -3.250 10.874 10.181 1.00 0.00 H new ATOM 0 HB2 PRO B 187 -0.624 10.764 10.984 1.00 0.00 H new ATOM 0 HB3 PRO B 187 -1.079 11.873 9.706 1.00 0.00 H new ATOM 0 HG2 PRO B 187 -0.652 12.485 12.669 1.00 0.00 H new ATOM 0 HG3 PRO B 187 -0.045 13.369 11.282 1.00 0.00 H new ATOM 0 HD2 PRO B 187 -2.325 14.167 12.603 1.00 0.00 H new ATOM 0 HD3 PRO B 187 -2.124 14.441 10.884 1.00 0.00 H new ATOM 1876 N MET B 188 -4.223 9.634 12.064 1.00 0.00 N ATOM 1877 CA MET B 188 -4.699 8.728 13.157 1.00 0.00 C ATOM 1878 C MET B 188 -4.176 7.245 13.147 1.00 0.00 C ATOM 1879 O MET B 188 -3.704 6.800 14.194 1.00 0.00 O ATOM 1880 CB MET B 188 -6.248 8.790 13.273 1.00 0.00 C ATOM 1881 CG MET B 188 -6.875 10.187 13.491 1.00 0.00 C ATOM 1882 SD MET B 188 -8.559 10.067 14.128 1.00 0.00 S ATOM 1883 CE MET B 188 -9.473 9.485 12.689 1.00 0.00 C ATOM 0 H MET B 188 -4.891 9.759 11.304 1.00 0.00 H new ATOM 0 HA MET B 188 -4.230 9.132 14.054 1.00 0.00 H new ATOM 0 HB2 MET B 188 -6.674 8.364 12.365 1.00 0.00 H new ATOM 0 HB3 MET B 188 -6.553 8.148 14.099 1.00 0.00 H new ATOM 0 HG2 MET B 188 -6.261 10.757 14.188 1.00 0.00 H new ATOM 0 HG3 MET B 188 -6.880 10.735 12.549 1.00 0.00 H new ATOM 0 HE1 MET B 188 -10.492 9.235 12.982 1.00 0.00 H new ATOM 0 HE2 MET B 188 -9.495 10.268 11.931 1.00 0.00 H new ATOM 0 HE3 MET B 188 -8.985 8.600 12.282 1.00 0.00 H new ATOM 1893 N LEU B 189 -4.298 6.460 12.045 1.00 0.00 N ATOM 1894 CA LEU B 189 -3.944 4.996 12.006 1.00 0.00 C ATOM 1895 C LEU B 189 -4.885 4.125 12.876 1.00 0.00 C ATOM 1896 O LEU B 189 -6.113 4.221 12.815 1.00 0.00 O ATOM 1897 CB LEU B 189 -2.412 4.720 12.165 1.00 0.00 C ATOM 1898 CG LEU B 189 -1.821 4.249 13.531 1.00 0.00 C ATOM 1899 CD1 LEU B 189 -1.909 2.722 13.730 1.00 0.00 C ATOM 1900 CD2 LEU B 189 -0.343 4.658 13.669 1.00 0.00 C ATOM 0 H LEU B 189 -4.644 6.814 11.153 1.00 0.00 H new ATOM 0 HA LEU B 189 -4.146 4.653 10.991 1.00 0.00 H new ATOM 0 HB2 LEU B 189 -2.144 3.967 11.424 1.00 0.00 H new ATOM 0 HB3 LEU B 189 -1.891 5.637 11.890 1.00 0.00 H new ATOM 0 HG LEU B 189 -2.429 4.739 14.292 1.00 0.00 H new ATOM 0 HD11 LEU B 189 -1.482 2.456 14.697 1.00 0.00 H new ATOM 0 HD12 LEU B 189 -2.953 2.410 13.696 1.00 0.00 H new ATOM 0 HD13 LEU B 189 -1.354 2.219 12.938 1.00 0.00 H new ATOM 0 HD21 LEU B 189 0.041 4.316 14.630 1.00 0.00 H new ATOM 0 HD22 LEU B 189 0.237 4.205 12.865 1.00 0.00 H new ATOM 0 HD23 LEU B 189 -0.259 5.743 13.610 1.00 0.00 H new TER 1912 LEU B 189 CONECT 1810 1821 CONECT 1821 1810 1822 1837 CONECT 1822 1821 1823 1825 1838 CONECT 1823 1822 1824 1846 CONECT 1824 1823 CONECT 1825 1822 1826 1839 1840 CONECT 1826 1825 1827 1828 CONECT 1827 1826 1829 1841 CONECT 1828 1826 1830 1842 CONECT 1829 1827 1831 1843 CONECT 1830 1828 1831 1844 CONECT 1831 1829 1830 1832 CONECT 1832 1831 1833 CONECT 1833 1832 1834 1835 1836 CONECT 1834 1833 CONECT 1835 1833 CONECT 1836 1833 1845 CONECT 1837 1821 CONECT 1838 1822 CONECT 1839 1825 CONECT 1840 1825 CONECT 1841 1827 CONECT 1842 1828 CONECT 1843 1829 CONECT 1844 1830 CONECT 1845 1836 CONECT 1846 1823 END