USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 881 hydrogens (0 hets) HEADER PROTEIN BINDING 03-MAR-03 1OO3 TITLE P395S MUTANT OF THE P85 REGULATORY SUBUNIT OF THE N- TITLE 2 TERMINAL SRC HOMOLOGY 2 DOMAIN OF PI3-KINASE 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 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 KEYWDS SRC HOMOLOGY 2 DOMAIN P85 REGULATORY SUBUNIT MUTANT, KEYWDS 2 PROTEIN BINDING EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR U.L.GUENTHER,B.WEYRAUCH,B.SCHAFFHAUSEN REVDAT 4 24-FEB-09 1OO3 1 VERSN REVDAT 3 19-JUL-05 1OO3 1 REMARK REVDAT 2 03-MAY-05 1OO3 1 JRNL REVDAT 1 25-MAR-03 1OO3 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: 1113 NOE-DERIVED, DISTANCE REMARK 3 CONSTRAINTS, 85 DIHEDRAL ANGLE RESTRAINTS REMARK 4 REMARK 4 1OO3 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 13-MAR-03. REMARK 100 THE RCSB ID CODE IS RCSB018490. 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-J, 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 0.116 REMARK 500 GLU A 25 CD GLU A 25 OE2 0.116 REMARK 500 GLU A 83 CD GLU A 83 OE2 0.110 REMARK 500 GLU A 91 CD GLU A 91 OE2 0.112 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 ASP A 10 CB - CG - OD1 ANGL. DEV. = 6.2 DEGREES REMARK 500 ASP A 10 CB - CG - OD2 ANGL. DEV. = -6.6 DEGREES REMARK 500 ASP A 17 CB - CG - OD1 ANGL. DEV. = 6.5 DEGREES REMARK 500 ASP A 17 CB - CG - OD2 ANGL. DEV. = -6.5 DEGREES REMARK 500 ARG A 20 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES REMARK 500 ARG A 20 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES REMARK 500 ARG A 28 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES REMARK 500 ARG A 28 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES REMARK 500 ASP A 29 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES REMARK 500 ARG A 38 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 ARG A 38 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES REMARK 500 ASP A 39 CB - CG - OD1 ANGL. DEV. = 5.7 DEGREES REMARK 500 ASP A 39 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES REMARK 500 HIS A 45 ND1 - CE1 - NE2 ANGL. DEV. = 8.6 DEGREES REMARK 500 ARG A 53 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES REMARK 500 HIS A 65 ND1 - CE1 - NE2 ANGL. DEV. = 8.4 DEGREES REMARK 500 ARG A 66 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 ARG A 66 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES REMARK 500 ASP A 67 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES REMARK 500 ASP A 74 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES REMARK 500 HIS A 87 ND1 - CE1 - NE2 ANGL. DEV. = 8.5 DEGREES REMARK 500 ARG A 89 NE - CZ - NH1 ANGL. DEV. = 4.0 DEGREES REMARK 500 ARG A 89 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES REMARK 500 ASP A 101 CB - CG - OD2 ANGL. DEV. = -5.5 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 SER A 7 46.95 -82.81 REMARK 500 TRP A 13 -2.71 -59.53 REMARK 500 ASP A 17 89.87 -160.69 REMARK 500 ARG A 20 -51.88 71.04 REMARK 500 GLU A 21 21.94 -63.37 REMARK 500 GLU A 22 -53.16 177.96 REMARK 500 LEU A 27 -39.66 -36.97 REMARK 500 ALA A 31 -106.35 72.57 REMARK 500 LEU A 36 112.98 -164.68 REMARK 500 MET A 44 -78.94 -151.42 REMARK 500 HIS A 45 -130.05 -152.03 REMARK 500 PHE A 64 -179.53 70.47 REMARK 500 ARG A 66 55.88 25.22 REMARK 500 ASP A 67 -41.71 69.51 REMARK 500 ASP A 74 -116.32 -130.84 REMARK 500 THR A 77 -51.98 79.65 REMARK 500 ASN A 79 -67.80 -154.01 REMARK 500 VAL A 82 -44.61 -141.35 REMARK 500 ASN A 86 97.62 -169.55 REMARK 500 TYR A 88 -53.71 67.80 REMARK 500 ALA A 94 4.04 -62.07 REMARK 500 TYR A 96 -60.89 -98.59 REMARK 500 ASP A 101 178.53 50.95 REMARK 500 VAL A 102 -96.34 -135.47 REMARK 500 LEU A 104 35.92 -161.20 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 LEU A 8 GLN A 9 -146.12 REMARK 500 TRP A 15 GLY A 16 -143.73 REMARK 500 LYS A 26 LEU A 27 147.48 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1OO4 RELATED DB: PDB REMARK 900 THE SAME PROTEIN COMPLEXED TO A PEPTIDE DERIVED FROM PDGFR DBREF 1OO3 A 1 111 UNP P23727 P85A_BOVIN 321 431 SEQADV 1OO3 SER A 60 UNP P23727 LEU 380 CONFLICT SEQADV 1OO3 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 HELIX 1 1 ASN A 24 THR A 30 1 7 HELIX 2 2 SER A 92 TYR A 96 5 5 SHEET 1 A 2 THR A 34 VAL A 37 0 SHEET 2 A 2 LEU A 50 ARG A 53 -1 O THR A 51 N LEU A 36 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 Set 1.1: A 9 GLN : amide:sc= 0.601 K(o=1.3,f=-1) USER MOD Set 1.2: A 110 LYS NZ :NH3+ 169:sc= 0.668 (180deg=0) USER MOD Set 2.1: A 70 TYR OH : rot 99:sc= 0.159 USER MOD Set 2.2: A 87 HIS : no HD1:sc= 0.147 K(o=0.31,f=-0.66) USER MOD Set 3.1: A 3 ASN : amide:sc= 1.04 K(o=1.7,f=-0.099) USER MOD Set 3.2: A 5 ASN : amide:sc= 0.684 K(o=1.7,f=0.42) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0.123 X(o=0.12,f=-0.032) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -39:sc= 0.761 USER MOD Single : A 14 TYR OH : rot 44:sc= 1.25 USER MOD Single : A 19 SER OG : rot -149:sc= 1.27 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -115:sc= 0.549 USER MOD Single : A 34 THR OG1 : rot 89:sc= 0.864 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -73:sc= 1.28 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 45 HIS : no HD1:sc= -0.0121 K(o=-0.012,f=-0.55) USER MOD Single : A 48 TYR OH : rot -177:sc= 0.254 USER MOD Single : A 49 THR OG1 : rot -108:sc= 0.711 USER MOD Single : A 51 THR OG1 : rot 14:sc= 1.09 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= 0.0391 F(o=-0.74,f=0.039) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 68:sc= 1.24 USER MOD Single : A 62 LYS NZ :NH3+ -152:sc= 1.7 (180deg=0.814) USER MOD Single : A 65 HIS : no HD1:sc=-0.00137 X(o=-0.0014,f=-0.0014) USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00851) USER MOD Single : A 73 SER OG : rot 39:sc= 0.721 USER MOD Single : A 75 SER OG : rot -35:sc= 1.02 USER MOD Single : A 77 THR OG1 : rot -5:sc= 1.1 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 80 SER OG : rot 140:sc= 1.26 USER MOD Single : A 86 ASN : amide:sc= -0.996 K(o=-1,f=-1.9) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.502 K(o=0.5,f=-0.014) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 95 GLN : amide:sc= -0.329 K(o=-0.33,f=-5.3!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.62 USER MOD Single : A 111 TYR OH : rot -10:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.860 -0.707 -3.129 1.00 0.00 N ATOM 2 CA GLY A 1 0.004 -0.516 -4.321 1.00 0.00 C ATOM 3 C GLY A 1 0.077 0.935 -4.825 1.00 0.00 C ATOM 4 O GLY A 1 -0.468 1.256 -5.885 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.855 -1.710 -2.854 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.499 -0.130 -2.342 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.832 -0.415 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.012 -0.856 -4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.364 -1.150 -5.127 1.00 0.00 H new ATOM 9 N MET A 2 0.797 1.796 -4.089 1.00 0.00 N ATOM 10 CA MET A 2 0.885 3.254 -4.397 1.00 0.00 C ATOM 11 C MET A 2 1.888 3.551 -5.563 1.00 0.00 C ATOM 12 O MET A 2 3.078 3.805 -5.356 1.00 0.00 O ATOM 13 CB MET A 2 1.230 4.033 -3.097 1.00 0.00 C ATOM 14 CG MET A 2 0.115 4.067 -2.027 1.00 0.00 C ATOM 15 SD MET A 2 0.660 4.997 -0.578 1.00 0.00 S ATOM 16 CE MET A 2 0.185 6.673 -1.041 1.00 0.00 C ATOM 0 H MET A 2 1.334 1.516 -3.268 1.00 0.00 H new ATOM 0 HA MET A 2 -0.084 3.599 -4.757 1.00 0.00 H new ATOM 0 HB2 MET A 2 2.122 3.589 -2.654 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.484 5.059 -3.365 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.783 4.523 -2.443 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.150 3.050 -1.736 1.00 0.00 H new ATOM 0 HE1 MET A 2 0.458 7.362 -0.242 1.00 0.00 H new ATOM 0 HE2 MET A 2 0.701 6.957 -1.958 1.00 0.00 H new ATOM 0 HE3 MET A 2 -0.892 6.714 -1.203 1.00 0.00 H new ATOM 26 N ASN A 3 1.375 3.504 -6.804 1.00 0.00 N ATOM 27 CA ASN A 3 2.195 3.628 -8.039 1.00 0.00 C ATOM 28 C ASN A 3 2.084 5.065 -8.647 1.00 0.00 C ATOM 29 O ASN A 3 1.110 5.410 -9.323 1.00 0.00 O ATOM 30 CB ASN A 3 1.869 2.444 -8.999 1.00 0.00 C ATOM 31 CG ASN A 3 0.455 2.293 -9.585 1.00 0.00 C ATOM 32 OD1 ASN A 3 0.186 2.650 -10.725 1.00 0.00 O ATOM 33 ND2 ASN A 3 -0.485 1.716 -8.873 1.00 0.00 N ATOM 0 H ASN A 3 0.380 3.379 -6.988 1.00 0.00 H new ATOM 0 HA ASN A 3 3.258 3.531 -7.816 1.00 0.00 H new ATOM 0 HB2 ASN A 3 2.562 2.507 -9.838 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.098 1.522 -8.465 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.413 1.575 -9.272 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.287 1.409 -7.921 1.00 0.00 H new ATOM 40 N ASN A 4 3.093 5.917 -8.381 1.00 0.00 N ATOM 41 CA ASN A 4 3.109 7.337 -8.839 1.00 0.00 C ATOM 42 C ASN A 4 3.519 7.488 -10.344 1.00 0.00 C ATOM 43 O ASN A 4 4.703 7.570 -10.688 1.00 0.00 O ATOM 44 CB ASN A 4 3.937 8.204 -7.843 1.00 0.00 C ATOM 45 CG ASN A 4 5.375 7.797 -7.473 1.00 0.00 C ATOM 46 OD1 ASN A 4 5.646 7.314 -6.381 1.00 0.00 O ATOM 47 ND2 ASN A 4 6.336 7.973 -8.344 1.00 0.00 N ATOM 0 H ASN A 4 3.920 5.651 -7.846 1.00 0.00 H new ATOM 0 HA ASN A 4 2.091 7.726 -8.820 1.00 0.00 H new ATOM 0 HB2 ASN A 4 3.982 9.213 -8.253 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.368 8.262 -6.915 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.293 7.709 -8.108 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.128 8.374 -9.259 1.00 0.00 H new ATOM 54 N ASN A 5 2.522 7.516 -11.244 1.00 0.00 N ATOM 55 CA ASN A 5 2.766 7.424 -12.712 1.00 0.00 C ATOM 56 C ASN A 5 3.057 8.819 -13.351 1.00 0.00 C ATOM 57 O ASN A 5 2.143 9.538 -13.770 1.00 0.00 O ATOM 58 CB ASN A 5 1.566 6.710 -13.398 1.00 0.00 C ATOM 59 CG ASN A 5 1.345 5.249 -12.987 1.00 0.00 C ATOM 60 OD1 ASN A 5 2.212 4.395 -13.133 1.00 0.00 O ATOM 61 ND2 ASN A 5 0.197 4.927 -12.443 1.00 0.00 N ATOM 0 H ASN A 5 1.537 7.601 -10.991 1.00 0.00 H new ATOM 0 HA ASN A 5 3.665 6.829 -12.873 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.658 7.272 -13.180 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.712 6.748 -14.478 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.027 3.967 -12.142 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -0.526 5.636 -12.320 1.00 0.00 H new ATOM 68 N MET A 6 4.349 9.173 -13.488 1.00 0.00 N ATOM 69 CA MET A 6 4.776 10.364 -14.278 1.00 0.00 C ATOM 70 C MET A 6 4.836 9.985 -15.795 1.00 0.00 C ATOM 71 O MET A 6 5.863 9.529 -16.307 1.00 0.00 O ATOM 72 CB MET A 6 6.129 10.916 -13.746 1.00 0.00 C ATOM 73 CG MET A 6 6.085 11.634 -12.380 1.00 0.00 C ATOM 74 SD MET A 6 5.813 10.466 -11.032 1.00 0.00 S ATOM 75 CE MET A 6 5.749 11.617 -9.649 1.00 0.00 C ATOM 0 H MET A 6 5.121 8.657 -13.066 1.00 0.00 H new ATOM 0 HA MET A 6 4.048 11.167 -14.164 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.832 10.086 -13.674 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.529 11.610 -14.485 1.00 0.00 H new ATOM 0 HG2 MET A 6 7.021 12.168 -12.218 1.00 0.00 H new ATOM 0 HG3 MET A 6 5.289 12.379 -12.384 1.00 0.00 H new ATOM 0 HE1 MET A 6 5.585 11.065 -8.724 1.00 0.00 H new ATOM 0 HE2 MET A 6 6.691 12.161 -9.585 1.00 0.00 H new ATOM 0 HE3 MET A 6 4.932 12.322 -9.800 1.00 0.00 H new ATOM 85 N SER A 7 3.708 10.154 -16.509 1.00 0.00 N ATOM 86 CA SER A 7 3.532 9.594 -17.882 1.00 0.00 C ATOM 87 C SER A 7 4.127 10.424 -19.078 1.00 0.00 C ATOM 88 O SER A 7 3.498 10.529 -20.141 1.00 0.00 O ATOM 89 CB SER A 7 2.013 9.308 -18.010 1.00 0.00 C ATOM 90 OG SER A 7 1.715 8.697 -19.264 1.00 0.00 O ATOM 0 H SER A 7 2.899 10.672 -16.167 1.00 0.00 H new ATOM 0 HA SER A 7 4.138 8.693 -17.978 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.692 8.656 -17.198 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.454 10.239 -17.912 1.00 0.00 H new ATOM 0 HG SER A 7 2.257 9.112 -19.967 1.00 0.00 H new ATOM 96 N LEU A 8 5.382 10.895 -18.966 1.00 0.00 N ATOM 97 CA LEU A 8 6.177 11.408 -20.120 1.00 0.00 C ATOM 98 C LEU A 8 7.657 10.901 -20.083 1.00 0.00 C ATOM 99 O LEU A 8 8.119 10.260 -19.135 1.00 0.00 O ATOM 100 CB LEU A 8 6.028 12.960 -20.271 1.00 0.00 C ATOM 101 CG LEU A 8 5.400 13.441 -21.606 1.00 0.00 C ATOM 102 CD1 LEU A 8 5.211 14.968 -21.597 1.00 0.00 C ATOM 103 CD2 LEU A 8 6.216 13.060 -22.859 1.00 0.00 C ATOM 0 H LEU A 8 5.882 10.935 -18.078 1.00 0.00 H new ATOM 0 HA LEU A 8 5.762 10.986 -21.035 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.418 13.331 -19.447 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.013 13.414 -20.168 1.00 0.00 H new ATOM 0 HG LEU A 8 4.441 12.926 -21.670 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.770 15.286 -22.542 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.551 15.248 -20.776 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.178 15.454 -21.467 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.710 13.432 -23.750 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.210 13.503 -22.794 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.305 11.975 -22.919 1.00 0.00 H new ATOM 115 N GLN A 9 8.364 11.093 -21.215 1.00 0.00 N ATOM 116 CA GLN A 9 9.417 10.139 -21.694 1.00 0.00 C ATOM 117 C GLN A 9 8.892 8.663 -21.888 1.00 0.00 C ATOM 118 O GLN A 9 9.455 7.692 -21.377 1.00 0.00 O ATOM 119 CB GLN A 9 10.728 10.289 -20.869 1.00 0.00 C ATOM 120 CG GLN A 9 11.988 9.674 -21.538 1.00 0.00 C ATOM 121 CD GLN A 9 13.242 9.664 -20.662 1.00 0.00 C ATOM 122 OE1 GLN A 9 14.198 10.398 -20.883 1.00 0.00 O ATOM 123 NE2 GLN A 9 13.305 8.810 -19.668 1.00 0.00 N ATOM 0 H GLN A 9 8.233 11.900 -21.825 1.00 0.00 H new ATOM 0 HA GLN A 9 9.686 10.422 -22.711 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.909 11.349 -20.689 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.585 9.820 -19.895 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.761 8.650 -21.834 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.204 10.229 -22.451 1.00 0.00 H new ATOM 0 HE21 GLN A 9 12.516 8.194 -19.474 1.00 0.00 H new ATOM 0 HE22 GLN A 9 14.143 8.762 -19.089 1.00 0.00 H new ATOM 132 N ASP A 10 7.791 8.524 -22.648 1.00 0.00 N ATOM 133 CA ASP A 10 7.162 7.208 -22.970 1.00 0.00 C ATOM 134 C ASP A 10 7.699 6.649 -24.330 1.00 0.00 C ATOM 135 O ASP A 10 8.144 5.500 -24.414 1.00 0.00 O ATOM 136 CB ASP A 10 5.609 7.329 -22.996 1.00 0.00 C ATOM 137 CG ASP A 10 4.920 7.996 -21.803 1.00 0.00 C ATOM 138 OD1 ASP A 10 4.875 7.521 -20.673 1.00 0.00 O ATOM 139 OD2 ASP A 10 4.372 9.196 -22.143 1.00 0.00 O ATOM 0 H ASP A 10 7.302 9.318 -23.063 1.00 0.00 H new ATOM 0 HA ASP A 10 7.435 6.503 -22.185 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.332 7.882 -23.893 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.198 6.325 -23.101 1.00 0.00 H new ATOM 145 N ALA A 11 7.656 7.497 -25.379 1.00 0.00 N ATOM 146 CA ALA A 11 8.242 7.224 -26.703 1.00 0.00 C ATOM 147 C ALA A 11 9.785 7.047 -26.714 1.00 0.00 C ATOM 148 O ALA A 11 10.529 7.767 -26.040 1.00 0.00 O ATOM 149 CB ALA A 11 7.848 8.432 -27.564 1.00 0.00 C ATOM 0 H ALA A 11 7.203 8.409 -25.325 1.00 0.00 H new ATOM 0 HA ALA A 11 7.865 6.270 -27.071 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.247 8.307 -28.571 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.762 8.506 -27.611 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.255 9.342 -27.123 1.00 0.00 H new ATOM 155 N GLU A 12 10.260 6.076 -27.505 1.00 0.00 N ATOM 156 CA GLU A 12 11.660 5.585 -27.384 1.00 0.00 C ATOM 157 C GLU A 12 12.735 6.570 -27.944 1.00 0.00 C ATOM 158 O GLU A 12 13.722 6.846 -27.265 1.00 0.00 O ATOM 159 CB GLU A 12 11.784 4.133 -27.946 1.00 0.00 C ATOM 160 CG GLU A 12 10.719 3.050 -27.592 1.00 0.00 C ATOM 161 CD GLU A 12 10.121 3.117 -26.182 1.00 0.00 C ATOM 162 OE1 GLU A 12 10.714 2.771 -25.166 1.00 0.00 O ATOM 163 OE2 GLU A 12 8.876 3.678 -26.189 1.00 0.00 O ATOM 0 H GLU A 12 9.712 5.613 -28.230 1.00 0.00 H new ATOM 0 HA GLU A 12 11.890 5.544 -26.319 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.814 4.211 -29.033 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.752 3.747 -27.628 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.904 3.124 -28.312 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.173 2.068 -27.724 1.00 0.00 H new ATOM 171 N TRP A 13 12.540 7.122 -29.149 1.00 0.00 N ATOM 172 CA TRP A 13 13.352 8.237 -29.731 1.00 0.00 C ATOM 173 C TRP A 13 13.431 9.623 -28.983 1.00 0.00 C ATOM 174 O TRP A 13 14.078 10.538 -29.502 1.00 0.00 O ATOM 175 CB TRP A 13 12.773 8.393 -31.174 1.00 0.00 C ATOM 176 CG TRP A 13 11.362 9.027 -31.269 1.00 0.00 C ATOM 177 CD1 TRP A 13 11.040 10.407 -31.203 1.00 0.00 C ATOM 178 CD2 TRP A 13 10.144 8.361 -31.266 1.00 0.00 C ATOM 179 NE1 TRP A 13 9.645 10.609 -31.222 1.00 0.00 N ATOM 180 CE2 TRP A 13 9.113 9.330 -31.272 1.00 0.00 C ATOM 181 CE3 TRP A 13 9.826 6.977 -31.202 1.00 0.00 C ATOM 182 CZ2 TRP A 13 7.757 8.922 -31.277 1.00 0.00 C ATOM 183 CZ3 TRP A 13 8.483 6.603 -31.173 1.00 0.00 C ATOM 184 CH2 TRP A 13 7.463 7.560 -31.222 1.00 0.00 C ATOM 0 H TRP A 13 11.798 6.808 -29.774 1.00 0.00 H new ATOM 0 HA TRP A 13 14.402 7.952 -29.658 1.00 0.00 H new ATOM 0 HB2 TRP A 13 13.464 9.000 -31.759 1.00 0.00 H new ATOM 0 HB3 TRP A 13 12.741 7.408 -31.641 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.770 11.201 -31.146 1.00 0.00 H new ATOM 0 HE1 TRP A 13 9.141 11.496 -31.203 1.00 0.00 H new ATOM 0 HE3 TRP A 13 10.607 6.232 -31.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.964 9.653 -31.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.225 5.556 -31.112 1.00 0.00 H new ATOM 0 HH2 TRP A 13 6.432 7.239 -31.217 1.00 0.00 H new ATOM 195 N TYR A 14 12.728 9.829 -27.850 1.00 0.00 N ATOM 196 CA TYR A 14 12.285 11.180 -27.403 1.00 0.00 C ATOM 197 C TYR A 14 13.393 12.052 -26.725 1.00 0.00 C ATOM 198 O TYR A 14 13.441 12.235 -25.506 1.00 0.00 O ATOM 199 CB TYR A 14 11.001 10.973 -26.549 1.00 0.00 C ATOM 200 CG TYR A 14 10.191 12.243 -26.216 1.00 0.00 C ATOM 201 CD1 TYR A 14 9.416 12.864 -27.202 1.00 0.00 C ATOM 202 CD2 TYR A 14 10.178 12.756 -24.914 1.00 0.00 C ATOM 203 CE1 TYR A 14 8.614 13.958 -26.880 1.00 0.00 C ATOM 204 CE2 TYR A 14 9.372 13.849 -24.597 1.00 0.00 C ATOM 205 CZ TYR A 14 8.564 14.427 -25.572 1.00 0.00 C ATOM 206 OH TYR A 14 7.681 15.418 -25.225 1.00 0.00 O ATOM 0 H TYR A 14 12.450 9.076 -27.220 1.00 0.00 H new ATOM 0 HA TYR A 14 12.055 11.795 -28.273 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.347 10.278 -27.077 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.286 10.493 -25.613 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.439 12.494 -28.216 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.795 12.304 -24.152 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.030 14.442 -27.649 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.375 14.248 -23.593 1.00 0.00 H new ATOM 0 HH TYR A 14 6.808 15.235 -25.631 1.00 0.00 H new ATOM 216 N TRP A 15 14.221 12.671 -27.576 1.00 0.00 N ATOM 217 CA TRP A 15 15.093 13.816 -27.189 1.00 0.00 C ATOM 218 C TRP A 15 14.363 15.211 -27.130 1.00 0.00 C ATOM 219 O TRP A 15 14.864 16.118 -26.461 1.00 0.00 O ATOM 220 CB TRP A 15 16.267 13.927 -28.215 1.00 0.00 C ATOM 221 CG TRP A 15 17.390 12.877 -28.271 1.00 0.00 C ATOM 222 CD1 TRP A 15 17.305 11.488 -28.028 1.00 0.00 C ATOM 223 CD2 TRP A 15 18.677 13.081 -28.761 1.00 0.00 C ATOM 224 NE1 TRP A 15 18.513 10.832 -28.328 1.00 0.00 N ATOM 225 CE2 TRP A 15 19.336 11.830 -28.800 1.00 0.00 C ATOM 226 CE3 TRP A 15 19.332 14.246 -29.247 1.00 0.00 C ATOM 227 CZ2 TRP A 15 20.638 11.722 -29.338 1.00 0.00 C ATOM 228 CZ3 TRP A 15 20.623 14.120 -29.762 1.00 0.00 C ATOM 229 CH2 TRP A 15 21.266 12.877 -29.809 1.00 0.00 C ATOM 0 H TRP A 15 14.314 12.401 -28.555 1.00 0.00 H new ATOM 0 HA TRP A 15 15.435 13.599 -26.177 1.00 0.00 H new ATOM 0 HB2 TRP A 15 15.818 13.963 -29.207 1.00 0.00 H new ATOM 0 HB3 TRP A 15 16.744 14.892 -28.046 1.00 0.00 H new ATOM 0 HD1 TRP A 15 16.421 10.991 -27.657 1.00 0.00 H new ATOM 0 HE1 TRP A 15 18.730 9.841 -28.220 1.00 0.00 H new ATOM 0 HE3 TRP A 15 18.841 15.207 -29.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 21.137 10.766 -29.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 21.135 14.997 -30.131 1.00 0.00 H new ATOM 0 HH2 TRP A 15 22.264 12.810 -30.216 1.00 0.00 H new ATOM 240 N GLY A 16 13.296 15.445 -27.927 1.00 0.00 N ATOM 241 CA GLY A 16 13.051 16.787 -28.535 1.00 0.00 C ATOM 242 C GLY A 16 13.820 17.152 -29.841 1.00 0.00 C ATOM 243 O GLY A 16 13.555 18.209 -30.415 1.00 0.00 O ATOM 0 H GLY A 16 12.598 14.741 -28.165 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.984 16.870 -28.742 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.290 17.541 -27.785 1.00 0.00 H new ATOM 247 N ASP A 17 14.779 16.320 -30.297 1.00 0.00 N ATOM 248 CA ASP A 17 15.684 16.635 -31.435 1.00 0.00 C ATOM 249 C ASP A 17 16.310 15.328 -32.002 1.00 0.00 C ATOM 250 O ASP A 17 17.386 14.881 -31.604 1.00 0.00 O ATOM 251 CB ASP A 17 16.722 17.729 -31.078 1.00 0.00 C ATOM 252 CG ASP A 17 17.583 18.263 -32.227 1.00 0.00 C ATOM 253 OD1 ASP A 17 17.419 17.986 -33.412 1.00 0.00 O ATOM 254 OD2 ASP A 17 18.561 19.095 -31.781 1.00 0.00 O ATOM 0 H ASP A 17 14.953 15.403 -29.887 1.00 0.00 H new ATOM 0 HA ASP A 17 15.093 17.075 -32.238 1.00 0.00 H new ATOM 0 HB2 ASP A 17 16.190 18.570 -30.632 1.00 0.00 H new ATOM 0 HB3 ASP A 17 17.387 17.330 -30.312 1.00 0.00 H new ATOM 260 N ILE A 18 15.603 14.749 -32.972 1.00 0.00 N ATOM 261 CA ILE A 18 16.063 13.571 -33.753 1.00 0.00 C ATOM 262 C ILE A 18 15.763 13.926 -35.248 1.00 0.00 C ATOM 263 O ILE A 18 14.624 13.818 -35.710 1.00 0.00 O ATOM 264 CB ILE A 18 15.393 12.236 -33.258 1.00 0.00 C ATOM 265 CG1 ILE A 18 13.847 12.275 -33.097 1.00 0.00 C ATOM 266 CG2 ILE A 18 16.052 11.650 -31.983 1.00 0.00 C ATOM 267 CD1 ILE A 18 13.133 11.192 -33.906 1.00 0.00 C ATOM 0 H ILE A 18 14.680 15.080 -33.251 1.00 0.00 H new ATOM 0 HA ILE A 18 17.127 13.375 -33.621 1.00 0.00 H new ATOM 0 HB ILE A 18 15.588 11.561 -34.091 1.00 0.00 H new ATOM 0 HG12 ILE A 18 13.594 12.159 -32.043 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.480 13.253 -33.407 1.00 0.00 H new ATOM 0 HG21 ILE A 18 15.540 10.731 -31.698 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.102 11.434 -32.182 1.00 0.00 H new ATOM 0 HG23 ILE A 18 15.978 12.373 -31.170 1.00 0.00 H new ATOM 0 HD11 ILE A 18 12.057 11.272 -33.751 1.00 0.00 H new ATOM 0 HD12 ILE A 18 13.358 11.321 -34.965 1.00 0.00 H new ATOM 0 HD13 ILE A 18 13.474 10.210 -33.580 1.00 0.00 H new ATOM 279 N SER A 19 16.776 14.376 -36.006 1.00 0.00 N ATOM 280 CA SER A 19 16.641 14.645 -37.471 1.00 0.00 C ATOM 281 C SER A 19 17.912 14.192 -38.252 1.00 0.00 C ATOM 282 O SER A 19 19.042 14.302 -37.763 1.00 0.00 O ATOM 283 CB SER A 19 16.239 16.108 -37.777 1.00 0.00 C ATOM 284 OG SER A 19 17.042 17.087 -37.115 1.00 0.00 O ATOM 0 H SER A 19 17.708 14.566 -35.638 1.00 0.00 H new ATOM 0 HA SER A 19 15.812 14.036 -37.831 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.299 16.272 -38.853 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.198 16.254 -37.490 1.00 0.00 H new ATOM 0 HG SER A 19 16.500 17.882 -36.928 1.00 0.00 H new ATOM 290 N ARG A 20 17.713 13.611 -39.461 1.00 0.00 N ATOM 291 CA ARG A 20 18.791 12.951 -40.272 1.00 0.00 C ATOM 292 C ARG A 20 19.334 11.582 -39.715 1.00 0.00 C ATOM 293 O ARG A 20 19.338 10.578 -40.434 1.00 0.00 O ATOM 294 CB ARG A 20 19.868 13.989 -40.698 1.00 0.00 C ATOM 295 CG ARG A 20 20.785 13.577 -41.869 1.00 0.00 C ATOM 296 CD ARG A 20 21.669 14.758 -42.301 1.00 0.00 C ATOM 297 NE ARG A 20 22.559 14.332 -43.413 1.00 0.00 N ATOM 298 CZ ARG A 20 23.396 15.108 -44.086 1.00 0.00 C ATOM 299 NH1 ARG A 20 23.585 16.380 -43.835 1.00 0.00 N ATOM 300 NH2 ARG A 20 24.063 14.551 -45.055 1.00 0.00 N ATOM 0 H ARG A 20 16.798 13.582 -39.912 1.00 0.00 H new ATOM 0 HA ARG A 20 18.318 12.600 -41.189 1.00 0.00 H new ATOM 0 HB2 ARG A 20 19.362 14.916 -40.968 1.00 0.00 H new ATOM 0 HB3 ARG A 20 20.494 14.208 -39.833 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.411 12.736 -41.570 1.00 0.00 H new ATOM 0 HG3 ARG A 20 20.180 13.240 -42.711 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.047 15.594 -42.619 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.265 15.107 -41.458 1.00 0.00 H new ATOM 0 HE ARG A 20 22.522 13.349 -43.684 1.00 0.00 H new ATOM 0 HH11 ARG A 20 23.070 16.833 -43.080 1.00 0.00 H new ATOM 0 HH12 ARG A 20 24.247 16.917 -44.395 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.928 13.562 -45.264 1.00 0.00 H new ATOM 0 HH22 ARG A 20 24.721 15.104 -45.605 1.00 0.00 H new ATOM 314 N GLU A 21 19.737 11.545 -38.435 1.00 0.00 N ATOM 315 CA GLU A 21 20.230 10.339 -37.689 1.00 0.00 C ATOM 316 C GLU A 21 19.267 9.108 -37.443 1.00 0.00 C ATOM 317 O GLU A 21 19.475 8.308 -36.533 1.00 0.00 O ATOM 318 CB GLU A 21 20.733 10.959 -36.336 1.00 0.00 C ATOM 319 CG GLU A 21 22.154 11.589 -36.357 1.00 0.00 C ATOM 320 CD GLU A 21 23.347 10.639 -36.545 1.00 0.00 C ATOM 321 OE1 GLU A 21 23.274 9.505 -37.016 1.00 0.00 O ATOM 322 OE2 GLU A 21 24.514 11.213 -36.129 1.00 0.00 O ATOM 0 H GLU A 21 19.734 12.382 -37.852 1.00 0.00 H new ATOM 0 HA GLU A 21 20.969 9.836 -38.312 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.023 11.725 -36.025 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.715 10.180 -35.574 1.00 0.00 H new ATOM 0 HG2 GLU A 21 22.183 12.328 -37.158 1.00 0.00 H new ATOM 0 HG3 GLU A 21 22.297 12.128 -35.420 1.00 0.00 H new ATOM 330 N GLU A 22 18.211 8.949 -38.248 1.00 0.00 N ATOM 331 CA GLU A 22 17.021 8.083 -37.978 1.00 0.00 C ATOM 332 C GLU A 22 16.025 8.262 -39.182 1.00 0.00 C ATOM 333 O GLU A 22 15.654 7.281 -39.829 1.00 0.00 O ATOM 334 CB GLU A 22 16.353 8.309 -36.576 1.00 0.00 C ATOM 335 CG GLU A 22 15.646 9.662 -36.348 1.00 0.00 C ATOM 336 CD GLU A 22 16.535 10.885 -36.498 1.00 0.00 C ATOM 337 OE1 GLU A 22 16.472 11.592 -37.495 1.00 0.00 O ATOM 338 OE2 GLU A 22 17.452 11.035 -35.494 1.00 0.00 O ATOM 0 H GLU A 22 18.143 9.432 -39.144 1.00 0.00 H new ATOM 0 HA GLU A 22 17.348 7.045 -37.913 1.00 0.00 H new ATOM 0 HB2 GLU A 22 15.624 7.514 -36.416 1.00 0.00 H new ATOM 0 HB3 GLU A 22 17.122 8.195 -35.812 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.818 9.745 -37.052 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.215 9.665 -35.347 1.00 0.00 H new ATOM 346 N VAL A 23 15.655 9.527 -39.516 1.00 0.00 N ATOM 347 CA VAL A 23 14.859 9.899 -40.719 1.00 0.00 C ATOM 348 C VAL A 23 15.519 9.392 -42.057 1.00 0.00 C ATOM 349 O VAL A 23 14.846 8.758 -42.868 1.00 0.00 O ATOM 350 CB VAL A 23 14.607 11.456 -40.736 1.00 0.00 C ATOM 351 CG1 VAL A 23 13.869 11.975 -41.996 1.00 0.00 C ATOM 352 CG2 VAL A 23 13.806 12.004 -39.534 1.00 0.00 C ATOM 0 H VAL A 23 15.907 10.334 -38.945 1.00 0.00 H new ATOM 0 HA VAL A 23 13.895 9.394 -40.655 1.00 0.00 H new ATOM 0 HB VAL A 23 15.633 11.822 -40.706 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.739 13.055 -41.922 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.456 11.740 -42.884 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.893 11.496 -42.069 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.686 13.082 -39.638 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.825 11.531 -39.505 1.00 0.00 H new ATOM 0 HG23 VAL A 23 14.342 11.786 -38.610 1.00 0.00 H new ATOM 362 N ASN A 24 16.821 9.680 -42.266 1.00 0.00 N ATOM 363 CA ASN A 24 17.635 9.106 -43.376 1.00 0.00 C ATOM 364 C ASN A 24 18.382 7.785 -42.982 1.00 0.00 C ATOM 365 O ASN A 24 18.363 6.830 -43.763 1.00 0.00 O ATOM 366 CB ASN A 24 18.639 10.179 -43.890 1.00 0.00 C ATOM 367 CG ASN A 24 18.031 11.460 -44.475 1.00 0.00 C ATOM 368 OD1 ASN A 24 17.854 12.461 -43.789 1.00 0.00 O ATOM 369 ND2 ASN A 24 17.696 11.477 -45.742 1.00 0.00 N ATOM 0 H ASN A 24 17.346 10.320 -41.670 1.00 0.00 H new ATOM 0 HA ASN A 24 16.945 8.829 -44.173 1.00 0.00 H new ATOM 0 HB2 ASN A 24 19.293 10.458 -43.064 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.268 9.720 -44.653 1.00 0.00 H new ATOM 0 HD21 ASN A 24 17.291 12.319 -46.151 1.00 0.00 H new ATOM 0 HD22 ASN A 24 17.840 10.648 -46.319 1.00 0.00 H new ATOM 376 N GLU A 25 19.060 7.713 -41.814 1.00 0.00 N ATOM 377 CA GLU A 25 19.886 6.529 -41.433 1.00 0.00 C ATOM 378 C GLU A 25 19.100 5.228 -41.048 1.00 0.00 C ATOM 379 O GLU A 25 19.500 4.142 -41.477 1.00 0.00 O ATOM 380 CB GLU A 25 20.907 6.976 -40.347 1.00 0.00 C ATOM 381 CG GLU A 25 22.147 6.061 -40.158 1.00 0.00 C ATOM 382 CD GLU A 25 23.100 6.027 -41.361 1.00 0.00 C ATOM 383 OE1 GLU A 25 23.759 6.997 -41.720 1.00 0.00 O ATOM 384 OE2 GLU A 25 23.106 4.818 -42.001 1.00 0.00 O ATOM 0 H GLU A 25 19.056 8.456 -41.115 1.00 0.00 H new ATOM 0 HA GLU A 25 20.407 6.201 -42.333 1.00 0.00 H new ATOM 0 HB2 GLU A 25 21.255 7.979 -40.595 1.00 0.00 H new ATOM 0 HB3 GLU A 25 20.384 7.047 -39.393 1.00 0.00 H new ATOM 0 HG2 GLU A 25 22.701 6.397 -39.281 1.00 0.00 H new ATOM 0 HG3 GLU A 25 21.806 5.046 -39.951 1.00 0.00 H new ATOM 392 N LYS A 26 18.007 5.298 -40.267 1.00 0.00 N ATOM 393 CA LYS A 26 17.129 4.116 -39.986 1.00 0.00 C ATOM 394 C LYS A 26 16.077 3.756 -41.083 1.00 0.00 C ATOM 395 O LYS A 26 15.851 2.564 -41.305 1.00 0.00 O ATOM 396 CB LYS A 26 16.517 4.225 -38.571 1.00 0.00 C ATOM 397 CG LYS A 26 17.487 3.873 -37.421 1.00 0.00 C ATOM 398 CD LYS A 26 17.814 2.370 -37.302 1.00 0.00 C ATOM 399 CE LYS A 26 18.533 2.024 -35.990 1.00 0.00 C ATOM 400 NZ LYS A 26 18.832 0.579 -35.953 1.00 0.00 N ATOM 0 H LYS A 26 17.699 6.157 -39.812 1.00 0.00 H new ATOM 0 HA LYS A 26 17.793 3.253 -40.021 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.154 5.242 -38.424 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.651 3.566 -38.512 1.00 0.00 H new ATOM 0 HG2 LYS A 26 18.416 4.425 -37.564 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.055 4.214 -36.480 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.891 1.795 -37.369 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.438 2.070 -38.144 1.00 0.00 H new ATOM 0 HE2 LYS A 26 19.456 2.598 -35.907 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.909 2.298 -35.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.319 0.348 -35.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.945 0.039 -36.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.443 0.330 -36.757 1.00 0.00 H new ATOM 413 N LEU A 27 15.565 4.713 -41.882 1.00 0.00 N ATOM 414 CA LEU A 27 15.163 4.452 -43.308 1.00 0.00 C ATOM 415 C LEU A 27 16.059 3.460 -44.142 1.00 0.00 C ATOM 416 O LEU A 27 15.536 2.644 -44.901 1.00 0.00 O ATOM 417 CB LEU A 27 15.000 5.860 -43.962 1.00 0.00 C ATOM 418 CG LEU A 27 14.776 5.986 -45.499 1.00 0.00 C ATOM 419 CD1 LEU A 27 13.932 7.233 -45.828 1.00 0.00 C ATOM 420 CD2 LEU A 27 16.091 6.083 -46.299 1.00 0.00 C ATOM 0 H LEU A 27 15.414 5.675 -41.580 1.00 0.00 H new ATOM 0 HA LEU A 27 14.232 3.885 -43.307 1.00 0.00 H new ATOM 0 HB2 LEU A 27 14.159 6.350 -43.471 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.892 6.436 -43.716 1.00 0.00 H new ATOM 0 HG LEU A 27 14.258 5.073 -45.792 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.788 7.301 -46.906 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.962 7.156 -45.337 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.448 8.125 -45.474 1.00 0.00 H new ATOM 0 HD21 LEU A 27 15.865 6.169 -47.362 1.00 0.00 H new ATOM 0 HD22 LEU A 27 16.650 6.961 -45.975 1.00 0.00 H new ATOM 0 HD23 LEU A 27 16.689 5.188 -46.126 1.00 0.00 H new ATOM 432 N ARG A 28 17.385 3.532 -43.972 1.00 0.00 N ATOM 433 CA ARG A 28 18.351 2.597 -44.608 1.00 0.00 C ATOM 434 C ARG A 28 18.685 1.338 -43.738 1.00 0.00 C ATOM 435 O ARG A 28 18.757 0.235 -44.282 1.00 0.00 O ATOM 436 CB ARG A 28 19.597 3.449 -44.975 1.00 0.00 C ATOM 437 CG ARG A 28 20.634 2.730 -45.877 1.00 0.00 C ATOM 438 CD ARG A 28 22.029 3.395 -45.925 1.00 0.00 C ATOM 439 NE ARG A 28 22.836 3.215 -44.678 1.00 0.00 N ATOM 440 CZ ARG A 28 23.505 2.124 -44.323 1.00 0.00 C ATOM 441 NH1 ARG A 28 23.463 0.989 -44.975 1.00 0.00 N ATOM 442 NH2 ARG A 28 24.240 2.205 -43.253 1.00 0.00 N ATOM 0 H ARG A 28 17.831 4.240 -43.389 1.00 0.00 H new ATOM 0 HA ARG A 28 17.914 2.151 -45.501 1.00 0.00 H new ATOM 0 HB2 ARG A 28 19.264 4.356 -45.480 1.00 0.00 H new ATOM 0 HB3 ARG A 28 20.091 3.760 -44.054 1.00 0.00 H new ATOM 0 HG2 ARG A 28 20.749 1.704 -45.527 1.00 0.00 H new ATOM 0 HG3 ARG A 28 20.237 2.678 -46.891 1.00 0.00 H new ATOM 0 HD2 ARG A 28 22.586 2.985 -46.767 1.00 0.00 H new ATOM 0 HD3 ARG A 28 21.905 4.461 -46.114 1.00 0.00 H new ATOM 0 HE ARG A 28 22.876 4.008 -44.038 1.00 0.00 H new ATOM 0 HH11 ARG A 28 22.889 0.904 -45.814 1.00 0.00 H new ATOM 0 HH12 ARG A 28 24.004 0.190 -44.644 1.00 0.00 H new ATOM 0 HH21 ARG A 28 24.283 3.079 -42.729 1.00 0.00 H new ATOM 0 HH22 ARG A 28 24.773 1.395 -42.938 1.00 0.00 H new ATOM 456 N ASP A 29 18.932 1.493 -42.423 1.00 0.00 N ATOM 457 CA ASP A 29 19.398 0.388 -41.541 1.00 0.00 C ATOM 458 C ASP A 29 18.268 -0.560 -41.015 1.00 0.00 C ATOM 459 O ASP A 29 18.500 -1.771 -40.984 1.00 0.00 O ATOM 460 CB ASP A 29 20.262 0.994 -40.402 1.00 0.00 C ATOM 461 CG ASP A 29 21.641 1.508 -40.824 1.00 0.00 C ATOM 462 OD1 ASP A 29 22.653 0.816 -40.795 1.00 0.00 O ATOM 463 OD2 ASP A 29 21.615 2.816 -41.229 1.00 0.00 O ATOM 0 H ASP A 29 18.817 2.382 -41.937 1.00 0.00 H new ATOM 0 HA ASP A 29 20.006 -0.283 -42.148 1.00 0.00 H new ATOM 0 HB2 ASP A 29 19.710 1.817 -39.949 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.396 0.237 -39.629 1.00 0.00 H new ATOM 469 N THR A 30 17.076 -0.062 -40.619 1.00 0.00 N ATOM 470 CA THR A 30 15.891 -0.938 -40.327 1.00 0.00 C ATOM 471 C THR A 30 14.811 -1.092 -41.465 1.00 0.00 C ATOM 472 O THR A 30 13.854 -1.850 -41.270 1.00 0.00 O ATOM 473 CB THR A 30 15.271 -0.534 -38.957 1.00 0.00 C ATOM 474 OG1 THR A 30 14.423 -1.583 -38.517 1.00 0.00 O ATOM 475 CG2 THR A 30 14.437 0.757 -38.938 1.00 0.00 C ATOM 0 H THR A 30 16.897 0.934 -40.491 1.00 0.00 H new ATOM 0 HA THR A 30 16.291 -1.951 -40.278 1.00 0.00 H new ATOM 0 HB THR A 30 16.130 -0.350 -38.312 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.497 -1.264 -38.488 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.060 0.932 -37.930 1.00 0.00 H new ATOM 0 HG22 THR A 30 15.061 1.598 -39.243 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.598 0.659 -39.627 1.00 0.00 H new ATOM 483 N ALA A 31 14.935 -0.391 -42.613 1.00 0.00 N ATOM 484 CA ALA A 31 14.001 -0.470 -43.769 1.00 0.00 C ATOM 485 C ALA A 31 12.619 0.217 -43.515 1.00 0.00 C ATOM 486 O ALA A 31 12.564 1.448 -43.527 1.00 0.00 O ATOM 487 CB ALA A 31 14.021 -1.869 -44.436 1.00 0.00 C ATOM 0 H ALA A 31 15.703 0.262 -42.770 1.00 0.00 H new ATOM 0 HA ALA A 31 14.381 0.171 -44.564 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.325 -1.882 -45.275 1.00 0.00 H new ATOM 0 HB2 ALA A 31 15.027 -2.086 -44.796 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.725 -2.624 -43.707 1.00 0.00 H new ATOM 493 N ASP A 32 11.523 -0.539 -43.314 1.00 0.00 N ATOM 494 CA ASP A 32 10.155 0.027 -43.107 1.00 0.00 C ATOM 495 C ASP A 32 9.509 -0.434 -41.769 1.00 0.00 C ATOM 496 O ASP A 32 9.653 -1.592 -41.362 1.00 0.00 O ATOM 497 CB ASP A 32 9.229 -0.280 -44.318 1.00 0.00 C ATOM 498 CG ASP A 32 8.899 -1.728 -44.721 1.00 0.00 C ATOM 499 OD1 ASP A 32 8.381 -1.995 -45.800 1.00 0.00 O ATOM 500 OD2 ASP A 32 9.205 -2.659 -43.765 1.00 0.00 O ATOM 0 H ASP A 32 11.549 -1.558 -43.289 1.00 0.00 H new ATOM 0 HA ASP A 32 10.273 1.108 -43.036 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.280 0.222 -44.129 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.675 0.199 -45.189 1.00 0.00 H new ATOM 506 N GLY A 33 8.724 0.457 -41.159 1.00 0.00 N ATOM 507 CA GLY A 33 8.061 0.213 -39.861 1.00 0.00 C ATOM 508 C GLY A 33 8.813 0.800 -38.669 1.00 0.00 C ATOM 509 O GLY A 33 9.322 0.036 -37.854 1.00 0.00 O ATOM 0 H GLY A 33 8.524 1.378 -41.549 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.057 0.636 -39.890 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.950 -0.862 -39.716 1.00 0.00 H new ATOM 513 N THR A 34 8.880 2.138 -38.563 1.00 0.00 N ATOM 514 CA THR A 34 9.752 2.813 -37.560 1.00 0.00 C ATOM 515 C THR A 34 9.188 4.211 -37.143 1.00 0.00 C ATOM 516 O THR A 34 9.127 5.128 -37.964 1.00 0.00 O ATOM 517 CB THR A 34 11.245 2.800 -38.029 1.00 0.00 C ATOM 518 OG1 THR A 34 12.076 3.248 -36.972 1.00 0.00 O ATOM 519 CG2 THR A 34 11.639 3.606 -39.275 1.00 0.00 C ATOM 0 H THR A 34 8.348 2.779 -39.151 1.00 0.00 H new ATOM 0 HA THR A 34 9.741 2.243 -36.631 1.00 0.00 H new ATOM 0 HB THR A 34 11.381 1.757 -38.316 1.00 0.00 H new ATOM 0 HG1 THR A 34 12.343 2.484 -36.419 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.707 3.489 -39.461 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.078 3.242 -40.136 1.00 0.00 H new ATOM 0 HG23 THR A 34 11.412 4.660 -39.113 1.00 0.00 H new ATOM 527 N PHE A 35 8.757 4.371 -35.874 1.00 0.00 N ATOM 528 CA PHE A 35 8.117 5.632 -35.374 1.00 0.00 C ATOM 529 C PHE A 35 9.192 6.659 -34.904 1.00 0.00 C ATOM 530 O PHE A 35 10.100 6.303 -34.142 1.00 0.00 O ATOM 531 CB PHE A 35 7.140 5.301 -34.198 1.00 0.00 C ATOM 532 CG PHE A 35 5.843 4.595 -34.609 1.00 0.00 C ATOM 533 CD1 PHE A 35 4.802 5.338 -35.171 1.00 0.00 C ATOM 534 CD2 PHE A 35 5.664 3.229 -34.370 1.00 0.00 C ATOM 535 CE1 PHE A 35 3.592 4.725 -35.481 1.00 0.00 C ATOM 536 CE2 PHE A 35 4.446 2.623 -34.667 1.00 0.00 C ATOM 537 CZ PHE A 35 3.417 3.366 -35.242 1.00 0.00 C ATOM 0 H PHE A 35 8.836 3.644 -35.163 1.00 0.00 H new ATOM 0 HA PHE A 35 7.557 6.081 -36.194 1.00 0.00 H new ATOM 0 HB2 PHE A 35 7.664 4.674 -33.477 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.884 6.229 -33.687 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.937 6.392 -35.366 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.471 2.644 -33.955 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.787 5.305 -35.908 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.299 1.575 -34.451 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.484 2.887 -35.502 1.00 0.00 H new ATOM 547 N LEU A 36 9.102 7.921 -35.373 1.00 0.00 N ATOM 548 CA LEU A 36 10.159 8.950 -35.131 1.00 0.00 C ATOM 549 C LEU A 36 9.620 10.399 -35.447 1.00 0.00 C ATOM 550 O LEU A 36 9.320 10.747 -36.595 1.00 0.00 O ATOM 551 CB LEU A 36 11.520 8.553 -35.811 1.00 0.00 C ATOM 552 CG LEU A 36 11.528 8.085 -37.299 1.00 0.00 C ATOM 553 CD1 LEU A 36 11.790 9.243 -38.269 1.00 0.00 C ATOM 554 CD2 LEU A 36 12.576 7.000 -37.577 1.00 0.00 C ATOM 0 H LEU A 36 8.312 8.261 -35.922 1.00 0.00 H new ATOM 0 HA LEU A 36 10.404 8.980 -34.069 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.186 9.413 -35.736 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.962 7.754 -35.215 1.00 0.00 H new ATOM 0 HG LEU A 36 10.531 7.676 -37.463 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.786 8.868 -39.293 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.010 9.996 -38.156 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.760 9.689 -38.050 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.534 6.715 -38.628 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.569 7.385 -37.345 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.371 6.128 -36.956 1.00 0.00 H new ATOM 566 N VAL A 37 9.481 11.261 -34.414 1.00 0.00 N ATOM 567 CA VAL A 37 9.015 12.683 -34.558 1.00 0.00 C ATOM 568 C VAL A 37 10.244 13.603 -34.870 1.00 0.00 C ATOM 569 O VAL A 37 11.167 13.738 -34.065 1.00 0.00 O ATOM 570 CB VAL A 37 8.229 13.169 -33.288 1.00 0.00 C ATOM 571 CG1 VAL A 37 7.693 14.615 -33.389 1.00 0.00 C ATOM 572 CG2 VAL A 37 6.989 12.319 -32.940 1.00 0.00 C ATOM 0 H VAL A 37 9.686 11.001 -33.449 1.00 0.00 H new ATOM 0 HA VAL A 37 8.314 12.741 -35.390 1.00 0.00 H new ATOM 0 HB VAL A 37 8.998 13.080 -32.521 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.163 14.872 -32.472 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.526 15.303 -33.531 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.011 14.692 -34.236 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.507 12.725 -32.051 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.288 12.340 -33.774 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.295 11.290 -32.749 1.00 0.00 H new ATOM 582 N ARG A 38 10.258 14.229 -36.051 1.00 0.00 N ATOM 583 CA ARG A 38 11.510 14.712 -36.699 1.00 0.00 C ATOM 584 C ARG A 38 11.825 16.229 -36.502 1.00 0.00 C ATOM 585 O ARG A 38 11.137 17.072 -37.091 1.00 0.00 O ATOM 586 CB ARG A 38 11.404 14.325 -38.202 1.00 0.00 C ATOM 587 CG ARG A 38 10.255 14.969 -39.039 1.00 0.00 C ATOM 588 CD ARG A 38 10.706 15.996 -40.089 1.00 0.00 C ATOM 589 NE ARG A 38 11.185 15.295 -41.311 1.00 0.00 N ATOM 590 CZ ARG A 38 11.694 15.862 -42.393 1.00 0.00 C ATOM 591 NH1 ARG A 38 11.825 17.153 -42.549 1.00 0.00 N ATOM 592 NH2 ARG A 38 12.079 15.068 -43.349 1.00 0.00 N ATOM 0 H ARG A 38 9.415 14.421 -36.592 1.00 0.00 H new ATOM 0 HA ARG A 38 12.359 14.233 -36.212 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.350 14.578 -38.681 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.296 13.242 -38.262 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.706 14.174 -39.544 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.558 15.454 -38.356 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.878 16.659 -40.341 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.502 16.620 -39.682 1.00 0.00 H new ATOM 0 HE ARG A 38 11.114 14.277 -41.315 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.526 17.789 -41.810 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.226 17.525 -43.410 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.982 14.058 -43.244 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.478 15.455 -44.204 1.00 0.00 H new ATOM 606 N ASP A 39 12.876 16.628 -35.747 1.00 0.00 N ATOM 607 CA ASP A 39 13.189 18.077 -35.554 1.00 0.00 C ATOM 608 C ASP A 39 13.905 18.737 -36.781 1.00 0.00 C ATOM 609 O ASP A 39 15.127 18.925 -36.820 1.00 0.00 O ATOM 610 CB ASP A 39 13.942 18.231 -34.218 1.00 0.00 C ATOM 611 CG ASP A 39 14.064 19.657 -33.685 1.00 0.00 C ATOM 612 OD1 ASP A 39 15.122 20.269 -33.599 1.00 0.00 O ATOM 613 OD2 ASP A 39 12.862 20.170 -33.305 1.00 0.00 O ATOM 0 H ASP A 39 13.512 15.990 -35.269 1.00 0.00 H new ATOM 0 HA ASP A 39 12.259 18.643 -35.496 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.438 17.624 -33.466 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.945 17.821 -34.338 1.00 0.00 H new ATOM 619 N ALA A 40 13.085 19.113 -37.770 1.00 0.00 N ATOM 620 CA ALA A 40 13.474 20.064 -38.839 1.00 0.00 C ATOM 621 C ALA A 40 13.291 21.554 -38.408 1.00 0.00 C ATOM 622 O ALA A 40 12.509 21.866 -37.504 1.00 0.00 O ATOM 623 CB ALA A 40 12.576 19.710 -40.039 1.00 0.00 C ATOM 0 H ALA A 40 12.129 18.770 -37.859 1.00 0.00 H new ATOM 0 HA ALA A 40 14.533 19.973 -39.079 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.805 20.373 -40.873 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.757 18.677 -40.336 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.530 19.829 -39.758 1.00 0.00 H new ATOM 629 N SER A 41 13.981 22.489 -39.083 1.00 0.00 N ATOM 630 CA SER A 41 13.789 23.951 -38.841 1.00 0.00 C ATOM 631 C SER A 41 12.424 24.515 -39.367 1.00 0.00 C ATOM 632 O SER A 41 11.767 23.922 -40.231 1.00 0.00 O ATOM 633 CB SER A 41 15.007 24.689 -39.447 1.00 0.00 C ATOM 634 OG SER A 41 16.204 24.369 -38.739 1.00 0.00 O ATOM 0 H SER A 41 14.675 22.272 -39.798 1.00 0.00 H new ATOM 0 HA SER A 41 13.735 24.123 -37.766 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.117 24.416 -40.496 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.838 25.765 -39.414 1.00 0.00 H new ATOM 0 HG SER A 41 16.960 24.846 -39.142 1.00 0.00 H new ATOM 640 N THR A 42 11.992 25.670 -38.823 1.00 0.00 N ATOM 641 CA THR A 42 10.667 26.288 -39.151 1.00 0.00 C ATOM 642 C THR A 42 10.499 26.707 -40.651 1.00 0.00 C ATOM 643 O THR A 42 9.553 26.247 -41.293 1.00 0.00 O ATOM 644 CB THR A 42 10.345 27.419 -38.124 1.00 0.00 C ATOM 645 OG1 THR A 42 10.507 26.965 -36.779 1.00 0.00 O ATOM 646 CG2 THR A 42 8.909 27.957 -38.210 1.00 0.00 C ATOM 0 H THR A 42 12.537 26.206 -38.148 1.00 0.00 H new ATOM 0 HA THR A 42 9.906 25.515 -39.043 1.00 0.00 H new ATOM 0 HB THR A 42 11.048 28.210 -38.384 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.771 26.361 -36.547 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.768 28.739 -37.464 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.734 28.368 -39.204 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.205 27.146 -38.024 1.00 0.00 H new ATOM 654 N LYS A 43 11.421 27.494 -41.242 1.00 0.00 N ATOM 655 CA LYS A 43 11.486 27.659 -42.726 1.00 0.00 C ATOM 656 C LYS A 43 12.388 26.554 -43.385 1.00 0.00 C ATOM 657 O LYS A 43 13.482 26.825 -43.888 1.00 0.00 O ATOM 658 CB LYS A 43 11.899 29.129 -43.016 1.00 0.00 C ATOM 659 CG LYS A 43 11.733 29.562 -44.494 1.00 0.00 C ATOM 660 CD LYS A 43 12.141 31.021 -44.786 1.00 0.00 C ATOM 661 CE LYS A 43 11.139 32.068 -44.266 1.00 0.00 C ATOM 662 NZ LYS A 43 11.575 33.423 -44.650 1.00 0.00 N ATOM 0 H LYS A 43 12.127 28.023 -40.730 1.00 0.00 H new ATOM 0 HA LYS A 43 10.516 27.498 -43.197 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.304 29.791 -42.387 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.941 29.265 -42.725 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.329 28.899 -45.122 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.691 29.425 -44.784 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.116 31.212 -44.337 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.256 31.147 -45.863 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.148 31.868 -44.673 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.058 31.998 -43.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.892 34.121 -44.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.512 33.615 -44.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.630 33.489 -45.686 1.00 0.00 H new ATOM 675 N MET A 44 11.910 25.293 -43.374 1.00 0.00 N ATOM 676 CA MET A 44 12.611 24.136 -44.003 1.00 0.00 C ATOM 677 C MET A 44 11.554 23.078 -44.447 1.00 0.00 C ATOM 678 O MET A 44 11.211 23.022 -45.631 1.00 0.00 O ATOM 679 CB MET A 44 13.775 23.638 -43.090 1.00 0.00 C ATOM 680 CG MET A 44 14.724 22.586 -43.701 1.00 0.00 C ATOM 681 SD MET A 44 13.943 20.962 -43.769 1.00 0.00 S ATOM 682 CE MET A 44 15.304 19.992 -44.436 1.00 0.00 C ATOM 0 H MET A 44 11.027 25.040 -42.931 1.00 0.00 H new ATOM 0 HA MET A 44 13.123 24.418 -44.923 1.00 0.00 H new ATOM 0 HB2 MET A 44 14.369 24.502 -42.792 1.00 0.00 H new ATOM 0 HB3 MET A 44 13.342 23.220 -42.181 1.00 0.00 H new ATOM 0 HG2 MET A 44 15.015 22.895 -44.705 1.00 0.00 H new ATOM 0 HG3 MET A 44 15.637 22.529 -43.108 1.00 0.00 H new ATOM 0 HE1 MET A 44 14.992 18.953 -44.544 1.00 0.00 H new ATOM 0 HE2 MET A 44 15.590 20.388 -45.410 1.00 0.00 H new ATOM 0 HE3 MET A 44 16.156 20.046 -43.758 1.00 0.00 H new ATOM 692 N HIS A 45 11.025 22.253 -43.520 1.00 0.00 N ATOM 693 CA HIS A 45 9.880 21.336 -43.802 1.00 0.00 C ATOM 694 C HIS A 45 9.081 21.088 -42.470 1.00 0.00 C ATOM 695 O HIS A 45 8.719 22.049 -41.786 1.00 0.00 O ATOM 696 CB HIS A 45 10.406 20.097 -44.608 1.00 0.00 C ATOM 697 CG HIS A 45 9.329 19.194 -45.212 1.00 0.00 C ATOM 698 ND1 HIS A 45 9.056 17.907 -44.783 1.00 0.00 N ATOM 699 CD2 HIS A 45 8.454 19.545 -46.255 1.00 0.00 C ATOM 700 CE1 HIS A 45 8.022 17.591 -45.628 1.00 0.00 C ATOM 701 NE2 HIS A 45 7.579 18.508 -46.544 1.00 0.00 N ATOM 0 H HIS A 45 11.369 22.197 -42.561 1.00 0.00 H new ATOM 0 HA HIS A 45 9.126 21.760 -44.465 1.00 0.00 H new ATOM 0 HB2 HIS A 45 11.047 20.456 -45.413 1.00 0.00 H new ATOM 0 HB3 HIS A 45 11.030 19.495 -43.948 1.00 0.00 H new ATOM 0 HD2 HIS A 45 8.462 20.497 -46.764 1.00 0.00 H new ATOM 0 HE1 HIS A 45 7.557 16.618 -45.571 1.00 0.00 H new ATOM 0 HE2 HIS A 45 6.829 18.447 -47.233 1.00 0.00 H new ATOM 709 N GLY A 46 8.783 19.829 -42.092 1.00 0.00 N ATOM 710 CA GLY A 46 7.927 19.514 -40.918 1.00 0.00 C ATOM 711 C GLY A 46 8.606 19.679 -39.544 1.00 0.00 C ATOM 712 O GLY A 46 9.270 18.759 -39.062 1.00 0.00 O ATOM 0 H GLY A 46 9.123 19.003 -42.584 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.046 20.155 -40.949 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.576 18.486 -41.010 1.00 0.00 H new ATOM 716 N ASP A 47 8.438 20.856 -38.925 1.00 0.00 N ATOM 717 CA ASP A 47 9.229 21.273 -37.735 1.00 0.00 C ATOM 718 C ASP A 47 8.780 20.540 -36.423 1.00 0.00 C ATOM 719 O ASP A 47 7.800 20.887 -35.772 1.00 0.00 O ATOM 720 CB ASP A 47 9.178 22.828 -37.767 1.00 0.00 C ATOM 721 CG ASP A 47 9.773 23.671 -36.633 1.00 0.00 C ATOM 722 OD1 ASP A 47 9.246 24.716 -36.258 1.00 0.00 O ATOM 723 OD2 ASP A 47 10.952 23.199 -36.133 1.00 0.00 O ATOM 0 H ASP A 47 7.755 21.551 -39.226 1.00 0.00 H new ATOM 0 HA ASP A 47 10.274 20.964 -37.755 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.670 23.143 -38.688 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.128 23.109 -37.854 1.00 0.00 H new ATOM 729 N TYR A 48 9.486 19.452 -36.090 1.00 0.00 N ATOM 730 CA TYR A 48 9.036 18.426 -35.097 1.00 0.00 C ATOM 731 C TYR A 48 7.638 17.749 -35.358 1.00 0.00 C ATOM 732 O TYR A 48 6.814 17.589 -34.454 1.00 0.00 O ATOM 733 CB TYR A 48 9.330 18.909 -33.640 1.00 0.00 C ATOM 734 CG TYR A 48 9.536 17.813 -32.571 1.00 0.00 C ATOM 735 CD1 TYR A 48 10.615 16.926 -32.677 1.00 0.00 C ATOM 736 CD2 TYR A 48 8.686 17.715 -31.464 1.00 0.00 C ATOM 737 CE1 TYR A 48 10.830 15.953 -31.706 1.00 0.00 C ATOM 738 CE2 TYR A 48 8.908 16.745 -30.484 1.00 0.00 C ATOM 739 CZ TYR A 48 9.980 15.863 -30.611 1.00 0.00 C ATOM 740 OH TYR A 48 10.224 14.916 -29.652 1.00 0.00 O ATOM 0 H TYR A 48 10.397 19.243 -36.498 1.00 0.00 H new ATOM 0 HA TYR A 48 9.658 17.546 -35.258 1.00 0.00 H new ATOM 0 HB2 TYR A 48 10.223 19.533 -33.663 1.00 0.00 H new ATOM 0 HB3 TYR A 48 8.505 19.545 -33.320 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.286 16.998 -33.520 1.00 0.00 H new ATOM 0 HD2 TYR A 48 7.852 18.394 -31.367 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.658 15.267 -31.804 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.251 16.678 -29.630 1.00 0.00 H new ATOM 0 HH TYR A 48 9.517 14.947 -28.974 1.00 0.00 H new ATOM 750 N THR A 49 7.417 17.298 -36.607 1.00 0.00 N ATOM 751 CA THR A 49 6.192 16.547 -37.017 1.00 0.00 C ATOM 752 C THR A 49 6.363 14.992 -36.897 1.00 0.00 C ATOM 753 O THR A 49 7.481 14.466 -36.955 1.00 0.00 O ATOM 754 CB THR A 49 5.765 17.051 -38.434 1.00 0.00 C ATOM 755 OG1 THR A 49 4.358 16.967 -38.522 1.00 0.00 O ATOM 756 CG2 THR A 49 6.332 16.327 -39.669 1.00 0.00 C ATOM 0 H THR A 49 8.079 17.439 -37.370 1.00 0.00 H new ATOM 0 HA THR A 49 5.375 16.754 -36.325 1.00 0.00 H new ATOM 0 HB THR A 49 6.184 18.056 -38.484 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.111 16.228 -39.116 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.943 16.793 -40.574 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.420 16.396 -39.664 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.035 15.278 -39.644 1.00 0.00 H new ATOM 764 N LEU A 50 5.251 14.236 -36.786 1.00 0.00 N ATOM 765 CA LEU A 50 5.288 12.742 -36.750 1.00 0.00 C ATOM 766 C LEU A 50 5.680 12.158 -38.147 1.00 0.00 C ATOM 767 O LEU A 50 5.006 12.422 -39.148 1.00 0.00 O ATOM 768 CB LEU A 50 3.896 12.237 -36.257 1.00 0.00 C ATOM 769 CG LEU A 50 3.710 10.768 -35.767 1.00 0.00 C ATOM 770 CD1 LEU A 50 4.183 9.676 -36.737 1.00 0.00 C ATOM 771 CD2 LEU A 50 4.361 10.478 -34.406 1.00 0.00 C ATOM 0 H LEU A 50 4.311 14.627 -36.719 1.00 0.00 H new ATOM 0 HA LEU A 50 6.055 12.394 -36.058 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.589 12.889 -35.439 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.190 12.395 -37.072 1.00 0.00 H new ATOM 0 HG LEU A 50 2.624 10.715 -35.690 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.006 8.695 -36.295 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.631 9.757 -37.673 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.248 9.799 -36.932 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.188 9.437 -34.134 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.433 10.663 -34.469 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.924 11.128 -33.648 1.00 0.00 H new ATOM 783 N THR A 51 6.758 11.361 -38.204 1.00 0.00 N ATOM 784 CA THR A 51 7.172 10.622 -39.431 1.00 0.00 C ATOM 785 C THR A 51 7.356 9.114 -39.095 1.00 0.00 C ATOM 786 O THR A 51 7.948 8.736 -38.077 1.00 0.00 O ATOM 787 CB THR A 51 8.469 11.205 -40.081 1.00 0.00 C ATOM 788 OG1 THR A 51 9.434 11.620 -39.113 1.00 0.00 O ATOM 789 CG2 THR A 51 8.190 12.400 -41.005 1.00 0.00 C ATOM 0 H THR A 51 7.374 11.203 -37.407 1.00 0.00 H new ATOM 0 HA THR A 51 6.379 10.741 -40.169 1.00 0.00 H new ATOM 0 HB THR A 51 8.869 10.377 -40.667 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.196 11.253 -38.236 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.128 12.761 -41.426 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.526 12.089 -41.812 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.718 13.199 -40.434 1.00 0.00 H new ATOM 797 N LEU A 52 6.878 8.243 -39.995 1.00 0.00 N ATOM 798 CA LEU A 52 7.210 6.796 -39.966 1.00 0.00 C ATOM 799 C LEU A 52 7.216 6.204 -41.409 1.00 0.00 C ATOM 800 O LEU A 52 6.429 6.630 -42.259 1.00 0.00 O ATOM 801 CB LEU A 52 6.272 6.007 -39.003 1.00 0.00 C ATOM 802 CG LEU A 52 4.787 5.826 -39.423 1.00 0.00 C ATOM 803 CD1 LEU A 52 4.321 4.380 -39.211 1.00 0.00 C ATOM 804 CD2 LEU A 52 3.854 6.814 -38.723 1.00 0.00 C ATOM 0 H LEU A 52 6.257 8.509 -40.759 1.00 0.00 H new ATOM 0 HA LEU A 52 8.218 6.687 -39.565 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.701 5.016 -38.855 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.287 6.509 -38.035 1.00 0.00 H new ATOM 0 HG LEU A 52 4.736 6.047 -40.489 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.278 4.286 -39.514 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.935 3.708 -39.810 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.418 4.117 -38.158 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.829 6.643 -39.053 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.916 6.671 -37.644 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.150 7.833 -38.972 1.00 0.00 H new ATOM 816 N ARG A 53 8.023 5.163 -41.671 1.00 0.00 N ATOM 817 CA ARG A 53 7.856 4.340 -42.909 1.00 0.00 C ATOM 818 C ARG A 53 6.818 3.208 -42.650 1.00 0.00 C ATOM 819 O ARG A 53 6.849 2.576 -41.591 1.00 0.00 O ATOM 820 CB ARG A 53 9.224 3.799 -43.391 1.00 0.00 C ATOM 821 CG ARG A 53 10.124 4.861 -44.075 1.00 0.00 C ATOM 822 CD ARG A 53 11.376 4.287 -44.766 1.00 0.00 C ATOM 823 NE ARG A 53 11.047 3.535 -46.012 1.00 0.00 N ATOM 824 CZ ARG A 53 11.886 2.803 -46.735 1.00 0.00 C ATOM 825 NH1 ARG A 53 13.091 2.475 -46.362 1.00 0.00 N ATOM 826 NH2 ARG A 53 11.471 2.380 -47.893 1.00 0.00 N ATOM 0 H ARG A 53 8.787 4.865 -41.064 1.00 0.00 H new ATOM 0 HA ARG A 53 7.467 4.962 -43.716 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.758 3.382 -42.537 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.052 2.980 -44.090 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.531 5.400 -44.814 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.439 5.589 -43.327 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.060 5.101 -45.007 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.898 3.626 -44.074 1.00 0.00 H new ATOM 0 HE ARG A 53 10.083 3.589 -46.341 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.447 2.785 -45.458 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.678 1.908 -46.974 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.532 2.614 -48.215 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.085 1.815 -48.479 1.00 0.00 H new ATOM 840 N LYS A 54 5.894 2.959 -43.594 1.00 0.00 N ATOM 841 CA LYS A 54 4.792 1.978 -43.387 1.00 0.00 C ATOM 842 C LYS A 54 4.474 1.246 -44.724 1.00 0.00 C ATOM 843 O LYS A 54 3.725 1.749 -45.566 1.00 0.00 O ATOM 844 CB LYS A 54 3.544 2.664 -42.737 1.00 0.00 C ATOM 845 CG LYS A 54 2.974 1.846 -41.560 1.00 0.00 C ATOM 846 CD LYS A 54 1.539 2.175 -41.104 1.00 0.00 C ATOM 847 CE LYS A 54 0.458 1.279 -41.727 1.00 0.00 C ATOM 848 NZ LYS A 54 0.091 1.703 -43.092 1.00 0.00 N ATOM 0 H LYS A 54 5.880 3.416 -44.506 1.00 0.00 H new ATOM 0 HA LYS A 54 5.111 1.215 -42.677 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.820 3.658 -42.386 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.770 2.797 -43.493 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.008 0.791 -41.833 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.638 1.975 -40.705 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.486 2.088 -40.019 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.321 3.214 -41.351 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.815 0.249 -41.753 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.430 1.293 -41.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.641 1.067 -43.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.275 2.676 -43.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.930 1.665 -43.705 1.00 0.00 H new ATOM 861 N GLY A 55 5.106 0.078 -44.942 1.00 0.00 N ATOM 862 CA GLY A 55 5.134 -0.580 -46.281 1.00 0.00 C ATOM 863 C GLY A 55 5.864 0.185 -47.408 1.00 0.00 C ATOM 864 O GLY A 55 5.296 0.375 -48.485 1.00 0.00 O ATOM 0 H GLY A 55 5.606 -0.436 -44.216 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.604 -1.557 -46.172 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.106 -0.755 -46.597 1.00 0.00 H new ATOM 868 N GLY A 56 7.098 0.645 -47.149 1.00 0.00 N ATOM 869 CA GLY A 56 7.838 1.502 -48.109 1.00 0.00 C ATOM 870 C GLY A 56 7.715 3.015 -47.851 1.00 0.00 C ATOM 871 O GLY A 56 8.687 3.654 -47.444 1.00 0.00 O ATOM 0 H GLY A 56 7.609 0.443 -46.289 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.893 1.227 -48.082 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.479 1.289 -49.116 1.00 0.00 H new ATOM 875 N ASN A 57 6.542 3.608 -48.118 1.00 0.00 N ATOM 876 CA ASN A 57 6.382 5.085 -48.087 1.00 0.00 C ATOM 877 C ASN A 57 6.161 5.652 -46.648 1.00 0.00 C ATOM 878 O ASN A 57 5.986 4.938 -45.657 1.00 0.00 O ATOM 879 CB ASN A 57 5.234 5.502 -49.055 1.00 0.00 C ATOM 880 CG ASN A 57 5.562 6.689 -49.965 1.00 0.00 C ATOM 881 OD1 ASN A 57 5.315 7.900 -49.520 1.00 0.00 O flip ATOM 882 ND2 ASN A 57 6.052 6.543 -51.077 1.00 0.00 N flip ATOM 0 H ASN A 57 5.691 3.099 -48.357 1.00 0.00 H new ATOM 0 HA ASN A 57 7.319 5.527 -48.426 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.973 4.646 -49.677 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.351 5.748 -48.465 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.247 5.606 -51.429 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.266 7.358 -51.651 1.00 0.00 H new ATOM 889 N ASN A 58 6.162 6.986 -46.578 1.00 0.00 N ATOM 890 CA ASN A 58 6.212 7.738 -45.307 1.00 0.00 C ATOM 891 C ASN A 58 4.783 8.211 -44.927 1.00 0.00 C ATOM 892 O ASN A 58 4.211 9.114 -45.549 1.00 0.00 O ATOM 893 CB ASN A 58 7.181 8.943 -45.397 1.00 0.00 C ATOM 894 CG ASN A 58 8.528 8.676 -46.091 1.00 0.00 C ATOM 895 OD1 ASN A 58 9.462 8.119 -45.524 1.00 0.00 O ATOM 896 ND2 ASN A 58 8.566 8.893 -47.388 1.00 0.00 N ATOM 0 H ASN A 58 6.128 7.585 -47.403 1.00 0.00 H new ATOM 0 HA ASN A 58 6.592 7.075 -44.529 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.676 9.751 -45.927 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.380 9.300 -44.386 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.377 8.597 -47.931 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.784 9.357 -47.851 1.00 0.00 H new ATOM 903 N LYS A 59 4.223 7.596 -43.891 1.00 0.00 N ATOM 904 CA LYS A 59 2.872 7.939 -43.381 1.00 0.00 C ATOM 905 C LYS A 59 2.966 9.009 -42.246 1.00 0.00 C ATOM 906 O LYS A 59 2.922 8.699 -41.053 1.00 0.00 O ATOM 907 CB LYS A 59 2.254 6.573 -42.997 1.00 0.00 C ATOM 908 CG LYS A 59 0.802 6.587 -42.468 1.00 0.00 C ATOM 909 CD LYS A 59 -0.280 6.975 -43.494 1.00 0.00 C ATOM 910 CE LYS A 59 -1.686 6.970 -42.871 1.00 0.00 C ATOM 911 NZ LYS A 59 -2.694 7.276 -43.904 1.00 0.00 N ATOM 0 H LYS A 59 4.680 6.846 -43.373 1.00 0.00 H new ATOM 0 HA LYS A 59 2.219 8.430 -44.103 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.290 5.926 -43.874 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.888 6.115 -42.237 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.568 5.597 -42.078 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.747 7.281 -41.630 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.063 7.966 -43.894 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.252 6.279 -44.333 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.893 5.997 -42.426 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.740 7.705 -42.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.642 7.271 -43.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.502 8.214 -44.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.650 6.559 -44.656 1.00 0.00 H new ATOM 924 N SER A 60 3.111 10.287 -42.638 1.00 0.00 N ATOM 925 CA SER A 60 3.266 11.409 -41.676 1.00 0.00 C ATOM 926 C SER A 60 1.880 12.027 -41.310 1.00 0.00 C ATOM 927 O SER A 60 1.262 12.727 -42.118 1.00 0.00 O ATOM 928 CB SER A 60 4.253 12.426 -42.297 1.00 0.00 C ATOM 929 OG SER A 60 4.577 13.468 -41.375 1.00 0.00 O ATOM 0 H SER A 60 3.125 10.576 -43.616 1.00 0.00 H new ATOM 0 HA SER A 60 3.678 11.062 -40.728 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.164 11.911 -42.602 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.815 12.858 -43.197 1.00 0.00 H new ATOM 0 HG SER A 60 5.104 13.099 -40.636 1.00 0.00 H new ATOM 935 N ILE A 61 1.373 11.722 -40.101 1.00 0.00 N ATOM 936 CA ILE A 61 -0.029 12.063 -39.694 1.00 0.00 C ATOM 937 C ILE A 61 -0.222 13.482 -39.065 1.00 0.00 C ATOM 938 O ILE A 61 -1.180 14.170 -39.430 1.00 0.00 O ATOM 939 CB ILE A 61 -0.743 10.914 -38.892 1.00 0.00 C ATOM 940 CG1 ILE A 61 -0.010 10.241 -37.694 1.00 0.00 C ATOM 941 CG2 ILE A 61 -1.367 9.863 -39.846 1.00 0.00 C ATOM 942 CD1 ILE A 61 1.023 9.143 -38.004 1.00 0.00 C ATOM 0 H ILE A 61 1.905 11.238 -39.377 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.559 12.138 -40.643 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.515 11.475 -38.366 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.495 11.024 -37.129 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.767 9.812 -37.038 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.853 9.083 -39.260 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.104 10.346 -40.488 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.584 9.420 -40.462 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.448 8.770 -37.072 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.536 8.324 -38.534 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.817 9.556 -38.626 1.00 0.00 H new ATOM 954 N LYS A 62 0.664 13.948 -38.165 1.00 0.00 N ATOM 955 CA LYS A 62 0.804 15.409 -37.896 1.00 0.00 C ATOM 956 C LYS A 62 1.579 16.137 -39.057 1.00 0.00 C ATOM 957 O LYS A 62 2.469 15.568 -39.703 1.00 0.00 O ATOM 958 CB LYS A 62 1.485 15.618 -36.514 1.00 0.00 C ATOM 959 CG LYS A 62 1.285 17.018 -35.912 1.00 0.00 C ATOM 960 CD LYS A 62 2.410 17.369 -34.927 1.00 0.00 C ATOM 961 CE LYS A 62 2.115 18.611 -34.095 1.00 0.00 C ATOM 962 NZ LYS A 62 1.991 19.829 -34.921 1.00 0.00 N ATOM 0 H LYS A 62 1.287 13.355 -37.616 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.187 15.862 -37.862 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.097 14.877 -35.816 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.554 15.430 -36.617 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.255 17.759 -36.711 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.324 17.062 -35.400 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.576 16.524 -34.259 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.335 17.523 -35.482 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.191 18.459 -33.536 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.911 18.752 -33.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.262 20.660 -34.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.617 19.753 -35.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.007 19.933 -35.240 1.00 0.00 H new ATOM 975 N ILE A 63 1.253 17.421 -39.282 1.00 0.00 N ATOM 976 CA ILE A 63 1.882 18.268 -40.343 1.00 0.00 C ATOM 977 C ILE A 63 2.424 19.559 -39.635 1.00 0.00 C ATOM 978 O ILE A 63 1.651 20.325 -39.048 1.00 0.00 O ATOM 979 CB ILE A 63 0.870 18.570 -41.514 1.00 0.00 C ATOM 980 CG1 ILE A 63 0.349 17.287 -42.237 1.00 0.00 C ATOM 981 CG2 ILE A 63 1.475 19.528 -42.579 1.00 0.00 C ATOM 982 CD1 ILE A 63 -0.911 17.481 -43.101 1.00 0.00 C ATOM 0 H ILE A 63 0.545 17.914 -38.738 1.00 0.00 H new ATOM 0 HA ILE A 63 2.710 17.750 -40.826 1.00 0.00 H new ATOM 0 HB ILE A 63 0.024 19.051 -41.023 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.147 16.898 -42.870 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.140 16.526 -41.485 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.742 19.707 -43.366 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.740 20.475 -42.108 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.367 19.075 -43.011 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.189 16.531 -43.558 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.730 17.836 -42.475 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.707 18.213 -43.882 1.00 0.00 H new ATOM 994 N PHE A 64 3.747 19.818 -39.742 1.00 0.00 N ATOM 995 CA PHE A 64 4.412 21.051 -39.202 1.00 0.00 C ATOM 996 C PHE A 64 4.504 21.125 -37.635 1.00 0.00 C ATOM 997 O PHE A 64 4.074 20.207 -36.928 1.00 0.00 O ATOM 998 CB PHE A 64 3.842 22.315 -39.936 1.00 0.00 C ATOM 999 CG PHE A 64 4.740 23.558 -40.037 1.00 0.00 C ATOM 1000 CD1 PHE A 64 5.989 23.473 -40.659 1.00 0.00 C ATOM 1001 CD2 PHE A 64 4.286 24.801 -39.581 1.00 0.00 C ATOM 1002 CE1 PHE A 64 6.785 24.604 -40.800 1.00 0.00 C ATOM 1003 CE2 PHE A 64 5.075 25.939 -39.744 1.00 0.00 C ATOM 1004 CZ PHE A 64 6.327 25.838 -40.345 1.00 0.00 C ATOM 0 H PHE A 64 4.396 19.182 -40.205 1.00 0.00 H new ATOM 0 HA PHE A 64 5.474 21.006 -39.443 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.568 22.018 -40.948 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.922 22.608 -39.430 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.338 22.522 -41.033 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.321 24.879 -39.101 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.758 24.526 -41.262 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.715 26.899 -39.404 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.943 26.717 -40.458 1.00 0.00 H new ATOM 1014 N HIS A 65 5.082 22.212 -37.078 1.00 0.00 N ATOM 1015 CA HIS A 65 5.090 22.438 -35.600 1.00 0.00 C ATOM 1016 C HIS A 65 3.691 22.799 -35.003 1.00 0.00 C ATOM 1017 O HIS A 65 3.280 22.150 -34.043 1.00 0.00 O ATOM 1018 CB HIS A 65 6.228 23.405 -35.145 1.00 0.00 C ATOM 1019 CG HIS A 65 6.042 24.914 -35.302 1.00 0.00 C ATOM 1020 ND1 HIS A 65 5.671 25.754 -34.271 1.00 0.00 N ATOM 1021 CD2 HIS A 65 6.204 25.651 -36.481 1.00 0.00 C ATOM 1022 CE1 HIS A 65 5.644 26.951 -34.936 1.00 0.00 C ATOM 1023 NE2 HIS A 65 5.932 26.996 -36.276 1.00 0.00 N ATOM 0 H HIS A 65 5.546 22.944 -37.615 1.00 0.00 H new ATOM 0 HA HIS A 65 5.328 21.468 -35.163 1.00 0.00 H new ATOM 0 HB2 HIS A 65 6.422 23.208 -34.091 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.129 23.129 -35.692 1.00 0.00 H new ATOM 0 HD2 HIS A 65 6.502 25.227 -37.428 1.00 0.00 H new ATOM 0 HE1 HIS A 65 5.396 27.859 -34.406 1.00 0.00 H new ATOM 0 HE2 HIS A 65 5.943 27.782 -36.926 1.00 0.00 H new ATOM 1031 N ARG A 66 2.998 23.824 -35.553 1.00 0.00 N ATOM 1032 CA ARG A 66 1.677 24.354 -35.084 1.00 0.00 C ATOM 1033 C ARG A 66 1.274 24.151 -33.578 1.00 0.00 C ATOM 1034 O ARG A 66 0.249 23.536 -33.281 1.00 0.00 O ATOM 1035 CB ARG A 66 0.617 23.870 -36.122 1.00 0.00 C ATOM 1036 CG ARG A 66 -0.746 24.602 -36.051 1.00 0.00 C ATOM 1037 CD ARG A 66 -1.777 24.051 -37.049 1.00 0.00 C ATOM 1038 NE ARG A 66 -3.089 24.690 -36.768 1.00 0.00 N ATOM 1039 CZ ARG A 66 -4.236 24.417 -37.368 1.00 0.00 C ATOM 1040 NH1 ARG A 66 -4.365 23.582 -38.366 1.00 0.00 N ATOM 1041 NH2 ARG A 66 -5.294 25.032 -36.931 1.00 0.00 N ATOM 0 H ARG A 66 3.349 24.330 -36.366 1.00 0.00 H new ATOM 0 HA ARG A 66 1.751 25.441 -35.056 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.028 23.994 -37.124 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.448 22.803 -35.977 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.145 24.517 -35.040 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.592 25.664 -36.245 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.464 24.261 -38.072 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.855 22.968 -36.955 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.107 25.408 -36.043 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.548 23.092 -38.730 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.283 23.420 -38.780 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.217 25.692 -36.157 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.201 24.855 -37.362 1.00 0.00 H new ATOM 1055 N ASP A 67 2.105 24.606 -32.615 1.00 0.00 N ATOM 1056 CA ASP A 67 1.929 24.296 -31.151 1.00 0.00 C ATOM 1057 C ASP A 67 2.191 22.810 -30.691 1.00 0.00 C ATOM 1058 O ASP A 67 2.739 22.595 -29.608 1.00 0.00 O ATOM 1059 CB ASP A 67 0.576 24.804 -30.564 1.00 0.00 C ATOM 1060 CG ASP A 67 0.241 26.276 -30.815 1.00 0.00 C ATOM 1061 OD1 ASP A 67 0.877 27.201 -30.321 1.00 0.00 O ATOM 1062 OD2 ASP A 67 -0.832 26.436 -31.651 1.00 0.00 O ATOM 0 H ASP A 67 2.914 25.195 -32.812 1.00 0.00 H new ATOM 0 HA ASP A 67 2.750 24.873 -30.725 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.227 24.194 -30.978 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.584 24.633 -29.488 1.00 0.00 H new ATOM 1068 N GLY A 68 1.732 21.811 -31.464 1.00 0.00 N ATOM 1069 CA GLY A 68 1.563 20.407 -31.011 1.00 0.00 C ATOM 1070 C GLY A 68 0.066 20.106 -30.817 1.00 0.00 C ATOM 1071 O GLY A 68 -0.442 20.210 -29.703 1.00 0.00 O ATOM 0 H GLY A 68 1.462 21.952 -32.437 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.990 19.723 -31.745 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.101 20.248 -30.076 1.00 0.00 H new ATOM 1075 N LYS A 69 -0.639 19.753 -31.901 1.00 0.00 N ATOM 1076 CA LYS A 69 -2.131 19.687 -31.939 1.00 0.00 C ATOM 1077 C LYS A 69 -2.696 18.295 -32.330 1.00 0.00 C ATOM 1078 O LYS A 69 -2.480 17.802 -33.439 1.00 0.00 O ATOM 1079 CB LYS A 69 -2.695 20.763 -32.897 1.00 0.00 C ATOM 1080 CG LYS A 69 -1.945 21.142 -34.197 1.00 0.00 C ATOM 1081 CD LYS A 69 -1.601 20.081 -35.258 1.00 0.00 C ATOM 1082 CE LYS A 69 -2.806 19.545 -36.036 1.00 0.00 C ATOM 1083 NZ LYS A 69 -2.338 18.539 -37.006 1.00 0.00 N ATOM 0 H LYS A 69 -0.201 19.502 -32.787 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.458 19.877 -30.917 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.695 20.440 -33.187 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.812 21.678 -32.317 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.539 21.909 -34.695 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.007 21.609 -33.898 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.890 20.510 -35.965 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.100 19.246 -34.769 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.529 19.101 -35.352 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.314 20.359 -36.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.155 18.131 -37.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.702 18.990 -37.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.827 17.785 -36.505 1.00 0.00 H new ATOM 1096 N TYR A 70 -3.465 17.651 -31.439 1.00 0.00 N ATOM 1097 CA TYR A 70 -3.894 16.249 -31.652 1.00 0.00 C ATOM 1098 C TYR A 70 -5.252 16.105 -32.410 1.00 0.00 C ATOM 1099 O TYR A 70 -6.247 16.759 -32.088 1.00 0.00 O ATOM 1100 CB TYR A 70 -3.907 15.560 -30.260 1.00 0.00 C ATOM 1101 CG TYR A 70 -4.262 14.058 -30.232 1.00 0.00 C ATOM 1102 CD1 TYR A 70 -3.405 13.095 -30.778 1.00 0.00 C ATOM 1103 CD2 TYR A 70 -5.442 13.644 -29.603 1.00 0.00 C ATOM 1104 CE1 TYR A 70 -3.716 11.739 -30.674 1.00 0.00 C ATOM 1105 CE2 TYR A 70 -5.755 12.290 -29.511 1.00 0.00 C ATOM 1106 CZ TYR A 70 -4.889 11.339 -30.043 1.00 0.00 C ATOM 1107 OH TYR A 70 -5.190 10.007 -29.940 1.00 0.00 O ATOM 0 H TYR A 70 -3.803 18.068 -30.571 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.187 15.756 -32.319 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.922 15.685 -29.809 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.618 16.089 -29.625 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.500 13.403 -31.281 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.114 14.379 -29.186 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.045 10.999 -31.084 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.669 11.978 -29.027 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.945 9.684 -29.048 1.00 0.00 H new ATOM 1117 N GLY A 71 -5.277 15.183 -33.383 1.00 0.00 N ATOM 1118 CA GLY A 71 -6.479 14.909 -34.211 1.00 0.00 C ATOM 1119 C GLY A 71 -6.145 14.934 -35.712 1.00 0.00 C ATOM 1120 O GLY A 71 -5.692 13.932 -36.272 1.00 0.00 O ATOM 0 H GLY A 71 -4.473 14.604 -33.624 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.892 13.936 -33.945 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.248 15.651 -33.996 1.00 0.00 H new ATOM 1124 N PHE A 72 -6.372 16.091 -36.347 1.00 0.00 N ATOM 1125 CA PHE A 72 -6.005 16.339 -37.771 1.00 0.00 C ATOM 1126 C PHE A 72 -5.809 17.872 -38.030 1.00 0.00 C ATOM 1127 O PHE A 72 -6.292 18.725 -37.273 1.00 0.00 O ATOM 1128 CB PHE A 72 -6.992 15.637 -38.760 1.00 0.00 C ATOM 1129 CG PHE A 72 -8.412 16.218 -38.937 1.00 0.00 C ATOM 1130 CD1 PHE A 72 -9.373 16.079 -37.929 1.00 0.00 C ATOM 1131 CD2 PHE A 72 -8.767 16.848 -40.135 1.00 0.00 C ATOM 1132 CE1 PHE A 72 -10.662 16.578 -38.109 1.00 0.00 C ATOM 1133 CE2 PHE A 72 -10.061 17.329 -40.322 1.00 0.00 C ATOM 1134 CZ PHE A 72 -11.004 17.202 -39.306 1.00 0.00 C ATOM 0 H PHE A 72 -6.816 16.892 -35.897 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.040 15.873 -37.972 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.518 15.620 -39.742 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -7.098 14.601 -38.439 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -9.114 15.582 -37.006 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -8.033 16.962 -40.919 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -11.394 16.481 -37.321 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -10.332 17.800 -41.255 1.00 0.00 H new ATOM 0 HZ PHE A 72 -12.003 17.588 -39.446 1.00 0.00 H new ATOM 1144 N SER A 73 -5.105 18.234 -39.120 1.00 0.00 N ATOM 1145 CA SER A 73 -4.771 19.656 -39.423 1.00 0.00 C ATOM 1146 C SER A 73 -5.977 20.509 -39.942 1.00 0.00 C ATOM 1147 O SER A 73 -6.134 20.727 -41.148 1.00 0.00 O ATOM 1148 CB SER A 73 -3.552 19.663 -40.376 1.00 0.00 C ATOM 1149 OG SER A 73 -3.912 19.234 -41.690 1.00 0.00 O ATOM 0 H SER A 73 -4.753 17.569 -39.809 1.00 0.00 H new ATOM 0 HA SER A 73 -4.513 20.161 -38.492 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.131 20.667 -40.423 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.775 19.010 -39.979 1.00 0.00 H new ATOM 0 HG SER A 73 -4.795 19.592 -41.921 1.00 0.00 H new ATOM 1155 N ASP A 74 -6.813 20.985 -39.001 1.00 0.00 N ATOM 1156 CA ASP A 74 -8.070 21.716 -39.318 1.00 0.00 C ATOM 1157 C ASP A 74 -8.122 23.035 -38.471 1.00 0.00 C ATOM 1158 O ASP A 74 -7.258 23.897 -38.666 1.00 0.00 O ATOM 1159 CB ASP A 74 -9.214 20.667 -39.187 1.00 0.00 C ATOM 1160 CG ASP A 74 -10.583 21.136 -39.665 1.00 0.00 C ATOM 1161 OD1 ASP A 74 -11.408 21.668 -38.929 1.00 0.00 O ATOM 1162 OD2 ASP A 74 -10.780 20.910 -40.992 1.00 0.00 O ATOM 0 H ASP A 74 -6.644 20.878 -38.001 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.163 22.108 -40.331 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.935 19.777 -39.751 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.294 20.369 -38.141 1.00 0.00 H new ATOM 1168 N SER A 75 -9.087 23.219 -37.550 1.00 0.00 N ATOM 1169 CA SER A 75 -9.279 24.502 -36.804 1.00 0.00 C ATOM 1170 C SER A 75 -9.001 24.484 -35.259 1.00 0.00 C ATOM 1171 O SER A 75 -9.397 25.433 -34.574 1.00 0.00 O ATOM 1172 CB SER A 75 -10.725 24.958 -37.125 1.00 0.00 C ATOM 1173 OG SER A 75 -10.977 26.249 -36.570 1.00 0.00 O ATOM 0 H SER A 75 -9.758 22.494 -37.295 1.00 0.00 H new ATOM 0 HA SER A 75 -8.515 25.201 -37.143 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.873 24.985 -38.205 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.437 24.238 -36.723 1.00 0.00 H new ATOM 0 HG SER A 75 -10.502 26.337 -35.717 1.00 0.00 H new ATOM 1179 N LEU A 76 -8.314 23.469 -34.700 1.00 0.00 N ATOM 1180 CA LEU A 76 -8.053 23.367 -33.233 1.00 0.00 C ATOM 1181 C LEU A 76 -6.928 24.286 -32.645 1.00 0.00 C ATOM 1182 O LEU A 76 -7.050 24.760 -31.513 1.00 0.00 O ATOM 1183 CB LEU A 76 -7.875 21.871 -32.834 1.00 0.00 C ATOM 1184 CG LEU A 76 -6.506 21.174 -33.083 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -6.445 19.852 -32.307 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -6.200 20.936 -34.573 1.00 0.00 C ATOM 0 H LEU A 76 -7.923 22.697 -35.240 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.943 23.780 -32.758 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.097 21.787 -31.770 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.636 21.298 -33.364 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.737 21.856 -32.721 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.484 19.369 -32.486 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.559 20.050 -31.241 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.248 19.196 -32.642 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.231 20.447 -34.672 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.973 20.301 -35.006 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.179 21.891 -35.097 1.00 0.00 H new ATOM 1198 N THR A 77 -5.815 24.487 -33.377 1.00 0.00 N ATOM 1199 CA THR A 77 -4.612 25.249 -32.919 1.00 0.00 C ATOM 1200 C THR A 77 -3.623 24.483 -31.978 1.00 0.00 C ATOM 1201 O THR A 77 -2.420 24.507 -32.261 1.00 0.00 O ATOM 1202 CB THR A 77 -4.837 26.736 -32.486 1.00 0.00 C ATOM 1203 OG1 THR A 77 -5.633 26.814 -31.310 1.00 0.00 O ATOM 1204 CG2 THR A 77 -5.503 27.624 -33.549 1.00 0.00 C ATOM 0 H THR A 77 -5.714 24.121 -34.324 1.00 0.00 H new ATOM 0 HA THR A 77 -4.086 25.330 -33.870 1.00 0.00 H new ATOM 0 HB THR A 77 -3.828 27.113 -32.318 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.948 25.918 -31.068 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.617 28.635 -33.159 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.881 27.649 -34.444 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.483 27.219 -33.799 1.00 0.00 H new ATOM 1212 N PHE A 78 -4.063 23.858 -30.861 1.00 0.00 N ATOM 1213 CA PHE A 78 -3.131 23.323 -29.817 1.00 0.00 C ATOM 1214 C PHE A 78 -3.667 22.121 -28.973 1.00 0.00 C ATOM 1215 O PHE A 78 -4.874 21.944 -28.786 1.00 0.00 O ATOM 1216 CB PHE A 78 -2.613 24.493 -28.926 1.00 0.00 C ATOM 1217 CG PHE A 78 -3.599 25.215 -27.986 1.00 0.00 C ATOM 1218 CD1 PHE A 78 -3.866 24.710 -26.708 1.00 0.00 C ATOM 1219 CD2 PHE A 78 -4.213 26.404 -28.393 1.00 0.00 C ATOM 1220 CE1 PHE A 78 -4.752 25.373 -25.861 1.00 0.00 C ATOM 1221 CE2 PHE A 78 -5.100 27.065 -27.547 1.00 0.00 C ATOM 1222 CZ PHE A 78 -5.369 26.549 -26.282 1.00 0.00 C ATOM 0 H PHE A 78 -5.050 23.708 -30.652 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.299 22.878 -30.362 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.800 24.104 -28.313 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.181 25.244 -29.588 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.383 23.802 -26.377 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.998 26.812 -29.370 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.960 24.975 -24.879 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.579 27.977 -27.872 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.057 27.061 -25.626 1.00 0.00 H new ATOM 1232 N ASN A 79 -2.735 21.314 -28.422 1.00 0.00 N ATOM 1233 CA ASN A 79 -3.049 20.225 -27.456 1.00 0.00 C ATOM 1234 C ASN A 79 -1.840 19.892 -26.507 1.00 0.00 C ATOM 1235 O ASN A 79 -1.978 20.049 -25.293 1.00 0.00 O ATOM 1236 CB ASN A 79 -3.610 18.986 -28.220 1.00 0.00 C ATOM 1237 CG ASN A 79 -4.185 17.857 -27.360 1.00 0.00 C ATOM 1238 OD1 ASN A 79 -3.565 16.820 -27.156 1.00 0.00 O ATOM 1239 ND2 ASN A 79 -5.390 17.996 -26.862 1.00 0.00 N ATOM 0 H ASN A 79 -1.740 21.395 -28.631 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.831 20.572 -26.781 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.390 19.329 -28.900 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.810 18.573 -28.835 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.804 17.244 -26.310 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.914 18.856 -27.026 1.00 0.00 H new ATOM 1246 N SER A 80 -0.719 19.324 -27.014 1.00 0.00 N ATOM 1247 CA SER A 80 0.221 18.497 -26.193 1.00 0.00 C ATOM 1248 C SER A 80 1.632 18.278 -26.853 1.00 0.00 C ATOM 1249 O SER A 80 1.839 18.504 -28.049 1.00 0.00 O ATOM 1250 CB SER A 80 -0.498 17.139 -25.948 1.00 0.00 C ATOM 1251 OG SER A 80 0.208 16.289 -25.048 1.00 0.00 O ATOM 0 H SER A 80 -0.437 19.419 -27.989 1.00 0.00 H new ATOM 0 HA SER A 80 0.442 19.024 -25.265 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.496 17.329 -25.552 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.625 16.625 -26.901 1.00 0.00 H new ATOM 0 HG SER A 80 -0.428 15.848 -24.447 1.00 0.00 H new ATOM 1257 N VAL A 81 2.595 17.756 -26.064 1.00 0.00 N ATOM 1258 CA VAL A 81 3.820 17.061 -26.599 1.00 0.00 C ATOM 1259 C VAL A 81 3.958 15.581 -26.050 1.00 0.00 C ATOM 1260 O VAL A 81 5.063 15.086 -25.792 1.00 0.00 O ATOM 1261 CB VAL A 81 5.127 17.920 -26.443 1.00 0.00 C ATOM 1262 CG1 VAL A 81 5.127 19.198 -27.312 1.00 0.00 C ATOM 1263 CG2 VAL A 81 5.501 18.289 -24.989 1.00 0.00 C ATOM 0 H VAL A 81 2.561 17.796 -25.045 1.00 0.00 H new ATOM 0 HA VAL A 81 3.678 16.962 -27.675 1.00 0.00 H new ATOM 0 HB VAL A 81 5.898 17.241 -26.808 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.058 19.744 -27.156 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.039 18.923 -28.363 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.284 19.830 -27.030 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.416 18.881 -24.988 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.693 18.868 -24.541 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.657 17.378 -24.411 1.00 0.00 H new ATOM 1273 N VAL A 82 2.822 14.858 -25.957 1.00 0.00 N ATOM 1274 CA VAL A 82 2.741 13.390 -25.669 1.00 0.00 C ATOM 1275 C VAL A 82 1.613 12.699 -26.512 1.00 0.00 C ATOM 1276 O VAL A 82 1.876 11.645 -27.099 1.00 0.00 O ATOM 1277 CB VAL A 82 2.707 13.059 -24.139 1.00 0.00 C ATOM 1278 CG1 VAL A 82 1.458 13.515 -23.356 1.00 0.00 C ATOM 1279 CG2 VAL A 82 2.944 11.559 -23.847 1.00 0.00 C ATOM 0 H VAL A 82 1.903 15.282 -26.082 1.00 0.00 H new ATOM 0 HA VAL A 82 3.676 12.943 -26.006 1.00 0.00 H new ATOM 0 HB VAL A 82 3.536 13.664 -23.772 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.559 13.226 -22.310 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.361 14.598 -23.425 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.571 13.043 -23.779 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.910 11.388 -22.771 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.169 10.967 -24.334 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.921 11.264 -24.230 1.00 0.00 H new ATOM 1289 N GLU A 83 0.393 13.283 -26.624 1.00 0.00 N ATOM 1290 CA GLU A 83 -0.681 12.800 -27.540 1.00 0.00 C ATOM 1291 C GLU A 83 -0.251 12.643 -29.037 1.00 0.00 C ATOM 1292 O GLU A 83 -0.421 11.570 -29.619 1.00 0.00 O ATOM 1293 CB GLU A 83 -1.957 13.668 -27.352 1.00 0.00 C ATOM 1294 CG GLU A 83 -2.845 13.408 -26.104 1.00 0.00 C ATOM 1295 CD GLU A 83 -2.233 13.627 -24.718 1.00 0.00 C ATOM 1296 OE1 GLU A 83 -1.563 14.607 -24.402 1.00 0.00 O ATOM 1297 OE2 GLU A 83 -2.518 12.605 -23.864 1.00 0.00 O ATOM 0 H GLU A 83 0.122 14.104 -26.082 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.909 11.774 -27.250 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.648 14.713 -27.329 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.580 13.539 -28.237 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.725 14.047 -26.183 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.194 12.377 -26.154 1.00 0.00 H new ATOM 1305 N LEU A 84 0.380 13.679 -29.614 1.00 0.00 N ATOM 1306 CA LEU A 84 1.119 13.618 -30.902 1.00 0.00 C ATOM 1307 C LEU A 84 2.256 12.567 -31.023 1.00 0.00 C ATOM 1308 O LEU A 84 2.448 11.989 -32.091 1.00 0.00 O ATOM 1309 CB LEU A 84 1.744 15.030 -31.124 1.00 0.00 C ATOM 1310 CG LEU A 84 0.809 16.211 -31.454 1.00 0.00 C ATOM 1311 CD1 LEU A 84 -0.016 15.902 -32.710 1.00 0.00 C ATOM 1312 CD2 LEU A 84 -0.078 16.649 -30.276 1.00 0.00 C ATOM 0 H LEU A 84 0.395 14.608 -29.194 1.00 0.00 H new ATOM 0 HA LEU A 84 0.387 13.307 -31.647 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.300 15.290 -30.223 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.469 14.947 -31.933 1.00 0.00 H new ATOM 0 HG LEU A 84 1.448 17.070 -31.657 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.672 16.744 -32.931 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.654 15.733 -33.553 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.618 15.009 -32.540 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.707 17.484 -30.585 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.708 15.815 -29.965 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.552 16.959 -29.442 1.00 0.00 H new ATOM 1324 N ILE A 85 3.024 12.366 -29.951 1.00 0.00 N ATOM 1325 CA ILE A 85 4.197 11.460 -29.936 1.00 0.00 C ATOM 1326 C ILE A 85 3.769 9.948 -29.888 1.00 0.00 C ATOM 1327 O ILE A 85 4.272 9.150 -30.683 1.00 0.00 O ATOM 1328 CB ILE A 85 5.160 11.891 -28.768 1.00 0.00 C ATOM 1329 CG1 ILE A 85 5.374 13.414 -28.501 1.00 0.00 C ATOM 1330 CG2 ILE A 85 6.540 11.221 -28.888 1.00 0.00 C ATOM 1331 CD1 ILE A 85 5.924 14.270 -29.659 1.00 0.00 C ATOM 0 H ILE A 85 2.857 12.826 -29.056 1.00 0.00 H new ATOM 0 HA ILE A 85 4.751 11.554 -30.870 1.00 0.00 H new ATOM 0 HB ILE A 85 4.598 11.536 -27.904 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.419 13.839 -28.193 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.055 13.515 -27.656 1.00 0.00 H new ATOM 0 HG21 ILE A 85 7.175 11.545 -28.063 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.423 10.138 -28.852 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.001 11.505 -29.834 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.022 15.305 -29.332 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.901 13.891 -29.960 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.239 14.220 -30.506 1.00 0.00 H new ATOM 1343 N ASN A 86 2.878 9.555 -28.950 1.00 0.00 N ATOM 1344 CA ASN A 86 2.489 8.136 -28.709 1.00 0.00 C ATOM 1345 C ASN A 86 1.254 8.070 -27.745 1.00 0.00 C ATOM 1346 O ASN A 86 1.391 8.160 -26.522 1.00 0.00 O ATOM 1347 CB ASN A 86 3.711 7.285 -28.232 1.00 0.00 C ATOM 1348 CG ASN A 86 4.316 7.504 -26.835 1.00 0.00 C ATOM 1349 OD1 ASN A 86 4.709 6.565 -26.155 1.00 0.00 O ATOM 1350 ND2 ASN A 86 4.404 8.727 -26.367 1.00 0.00 N ATOM 0 H ASN A 86 2.403 10.213 -28.332 1.00 0.00 H new ATOM 0 HA ASN A 86 2.173 7.683 -29.649 1.00 0.00 H new ATOM 0 HB2 ASN A 86 3.418 6.237 -28.295 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.511 7.436 -28.957 1.00 0.00 H new ATOM 0 HD21 ASN A 86 4.798 8.891 -25.441 1.00 0.00 H new ATOM 0 HD22 ASN A 86 4.078 9.513 -26.929 1.00 0.00 H new ATOM 1357 N HIS A 87 0.036 7.928 -28.290 1.00 0.00 N ATOM 1358 CA HIS A 87 -1.209 7.843 -27.470 1.00 0.00 C ATOM 1359 C HIS A 87 -2.278 7.083 -28.299 1.00 0.00 C ATOM 1360 O HIS A 87 -2.940 7.691 -29.148 1.00 0.00 O ATOM 1361 CB HIS A 87 -1.633 9.279 -27.056 1.00 0.00 C ATOM 1362 CG HIS A 87 -2.926 9.423 -26.260 1.00 0.00 C ATOM 1363 ND1 HIS A 87 -4.147 9.673 -26.851 1.00 0.00 N ATOM 1364 CD2 HIS A 87 -3.066 9.395 -24.864 1.00 0.00 C ATOM 1365 CE1 HIS A 87 -4.940 9.755 -25.739 1.00 0.00 C ATOM 1366 NE2 HIS A 87 -4.388 9.606 -24.491 1.00 0.00 N ATOM 0 H HIS A 87 -0.126 7.868 -29.295 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.064 7.286 -26.544 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.824 9.713 -26.468 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.726 9.878 -27.962 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -2.254 9.231 -24.171 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.999 9.937 -25.843 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -4.819 9.640 -23.567 1.00 0.00 H new ATOM 1374 N TYR A 88 -2.415 5.753 -28.094 1.00 0.00 N ATOM 1375 CA TYR A 88 -3.359 4.875 -28.866 1.00 0.00 C ATOM 1376 C TYR A 88 -3.014 4.664 -30.385 1.00 0.00 C ATOM 1377 O TYR A 88 -2.959 3.530 -30.859 1.00 0.00 O ATOM 1378 CB TYR A 88 -4.851 5.254 -28.586 1.00 0.00 C ATOM 1379 CG TYR A 88 -5.902 4.271 -29.134 1.00 0.00 C ATOM 1380 CD1 TYR A 88 -6.262 3.136 -28.400 1.00 0.00 C ATOM 1381 CD2 TYR A 88 -6.479 4.487 -30.392 1.00 0.00 C ATOM 1382 CE1 TYR A 88 -7.180 2.225 -28.921 1.00 0.00 C ATOM 1383 CE2 TYR A 88 -7.393 3.573 -30.911 1.00 0.00 C ATOM 1384 CZ TYR A 88 -7.741 2.443 -30.177 1.00 0.00 C ATOM 1385 OH TYR A 88 -8.636 1.548 -30.698 1.00 0.00 O ATOM 0 H TYR A 88 -1.878 5.246 -27.390 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.206 3.871 -28.469 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.989 5.341 -27.508 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.043 6.238 -29.013 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.827 2.965 -27.426 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.214 5.366 -30.962 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.456 1.350 -28.351 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -7.832 3.741 -31.883 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.929 1.855 -31.581 1.00 0.00 H new ATOM 1395 N ARG A 89 -2.842 5.762 -31.128 1.00 0.00 N ATOM 1396 CA ARG A 89 -2.665 5.795 -32.601 1.00 0.00 C ATOM 1397 C ARG A 89 -1.168 6.030 -32.994 1.00 0.00 C ATOM 1398 O ARG A 89 -0.629 5.290 -33.818 1.00 0.00 O ATOM 1399 CB ARG A 89 -3.670 6.892 -33.075 1.00 0.00 C ATOM 1400 CG ARG A 89 -3.998 6.988 -34.582 1.00 0.00 C ATOM 1401 CD ARG A 89 -2.972 7.758 -35.437 1.00 0.00 C ATOM 1402 NE ARG A 89 -3.499 7.862 -36.827 1.00 0.00 N ATOM 1403 CZ ARG A 89 -4.088 8.922 -37.370 1.00 0.00 C ATOM 1404 NH1 ARG A 89 -4.128 10.110 -36.817 1.00 0.00 N ATOM 1405 NH2 ARG A 89 -4.657 8.749 -38.528 1.00 0.00 N ATOM 0 H ARG A 89 -2.820 6.693 -30.713 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.885 4.851 -33.099 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.607 6.736 -32.541 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.279 7.859 -32.758 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.092 5.978 -34.981 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.971 7.467 -34.694 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.801 8.751 -35.021 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.012 7.242 -35.433 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.398 7.038 -37.420 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.688 10.265 -35.910 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.599 10.879 -37.294 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.636 7.832 -38.974 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.123 9.530 -38.989 1.00 0.00 H new ATOM 1419 N ASN A 90 -0.486 7.038 -32.411 1.00 0.00 N ATOM 1420 CA ASN A 90 0.889 7.452 -32.816 1.00 0.00 C ATOM 1421 C ASN A 90 2.104 6.525 -32.484 1.00 0.00 C ATOM 1422 O ASN A 90 3.204 6.805 -32.967 1.00 0.00 O ATOM 1423 CB ASN A 90 1.101 8.873 -32.232 1.00 0.00 C ATOM 1424 CG ASN A 90 0.293 9.955 -32.971 1.00 0.00 C ATOM 1425 OD1 ASN A 90 0.402 10.145 -34.177 1.00 0.00 O ATOM 1426 ND2 ASN A 90 -0.587 10.658 -32.310 1.00 0.00 N ATOM 0 H ASN A 90 -0.867 7.593 -31.645 1.00 0.00 H new ATOM 0 HA ASN A 90 0.899 7.394 -33.904 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.819 8.873 -31.179 1.00 0.00 H new ATOM 0 HB3 ASN A 90 2.161 9.124 -32.278 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.162 11.344 -32.798 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.699 10.521 -31.306 1.00 0.00 H new ATOM 1433 N GLU A 91 1.941 5.440 -31.708 1.00 0.00 N ATOM 1434 CA GLU A 91 2.933 4.324 -31.679 1.00 0.00 C ATOM 1435 C GLU A 91 2.204 2.944 -31.542 1.00 0.00 C ATOM 1436 O GLU A 91 2.342 2.250 -30.530 1.00 0.00 O ATOM 1437 CB GLU A 91 4.009 4.646 -30.605 1.00 0.00 C ATOM 1438 CG GLU A 91 5.247 3.705 -30.594 1.00 0.00 C ATOM 1439 CD GLU A 91 6.334 3.911 -29.529 1.00 0.00 C ATOM 1440 OE1 GLU A 91 7.126 3.030 -29.209 1.00 0.00 O ATOM 1441 OE2 GLU A 91 6.357 5.176 -29.020 1.00 0.00 O ATOM 0 H GLU A 91 1.140 5.302 -31.092 1.00 0.00 H new ATOM 0 HA GLU A 91 3.475 4.233 -32.620 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.353 5.669 -30.756 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.539 4.610 -29.622 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.881 2.683 -30.497 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.726 3.781 -31.570 1.00 0.00 H new ATOM 1449 N SER A 92 1.412 2.544 -32.561 1.00 0.00 N ATOM 1450 CA SER A 92 0.612 1.287 -32.528 1.00 0.00 C ATOM 1451 C SER A 92 0.328 0.716 -33.958 1.00 0.00 C ATOM 1452 O SER A 92 0.322 1.435 -34.964 1.00 0.00 O ATOM 1453 CB SER A 92 -0.710 1.626 -31.790 1.00 0.00 C ATOM 1454 OG SER A 92 -1.497 0.461 -31.538 1.00 0.00 O ATOM 0 H SER A 92 1.305 3.074 -33.426 1.00 0.00 H new ATOM 0 HA SER A 92 1.169 0.505 -32.012 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.481 2.120 -30.846 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.288 2.331 -32.387 1.00 0.00 H new ATOM 0 HG SER A 92 -2.320 0.717 -31.071 1.00 0.00 H new ATOM 1460 N LEU A 93 -0.069 -0.572 -34.024 1.00 0.00 N ATOM 1461 CA LEU A 93 -0.897 -1.118 -35.153 1.00 0.00 C ATOM 1462 C LEU A 93 -2.217 -0.313 -35.461 1.00 0.00 C ATOM 1463 O LEU A 93 -2.580 -0.144 -36.628 1.00 0.00 O ATOM 1464 CB LEU A 93 -1.262 -2.612 -34.868 1.00 0.00 C ATOM 1465 CG LEU A 93 -0.172 -3.722 -34.900 1.00 0.00 C ATOM 1466 CD1 LEU A 93 0.886 -3.631 -33.783 1.00 0.00 C ATOM 1467 CD2 LEU A 93 -0.849 -5.102 -34.783 1.00 0.00 C ATOM 0 H LEU A 93 0.164 -1.266 -33.313 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.272 -1.020 -36.041 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.723 -2.646 -33.881 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.029 -2.897 -35.588 1.00 0.00 H new ATOM 0 HG LEU A 93 0.350 -3.581 -35.846 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.600 -4.447 -33.891 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.410 -2.678 -33.855 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.397 -3.703 -32.812 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.089 -5.883 -34.805 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.400 -5.158 -33.844 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.537 -5.242 -35.617 1.00 0.00 H new ATOM 1479 N ALA A 94 -2.884 0.228 -34.419 1.00 0.00 N ATOM 1480 CA ALA A 94 -3.959 1.244 -34.555 1.00 0.00 C ATOM 1481 C ALA A 94 -3.638 2.644 -35.191 1.00 0.00 C ATOM 1482 O ALA A 94 -4.545 3.476 -35.277 1.00 0.00 O ATOM 1483 CB ALA A 94 -4.489 1.412 -33.117 1.00 0.00 C ATOM 0 H ALA A 94 -2.693 -0.028 -33.450 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.660 0.865 -35.298 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.293 2.148 -33.109 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.868 0.456 -32.755 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.681 1.751 -32.469 1.00 0.00 H new ATOM 1489 N GLN A 95 -2.413 2.908 -35.691 1.00 0.00 N ATOM 1490 CA GLN A 95 -2.116 4.083 -36.562 1.00 0.00 C ATOM 1491 C GLN A 95 -2.991 4.177 -37.860 1.00 0.00 C ATOM 1492 O GLN A 95 -3.616 5.214 -38.108 1.00 0.00 O ATOM 1493 CB GLN A 95 -0.582 4.097 -36.828 1.00 0.00 C ATOM 1494 CG GLN A 95 -0.008 5.412 -37.418 1.00 0.00 C ATOM 1495 CD GLN A 95 -0.049 5.544 -38.939 1.00 0.00 C ATOM 1496 OE1 GLN A 95 0.830 5.069 -39.643 1.00 0.00 O ATOM 1497 NE2 GLN A 95 -1.032 6.201 -39.502 1.00 0.00 N ATOM 0 H GLN A 95 -1.600 2.320 -35.508 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.405 4.993 -36.036 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.068 3.888 -35.890 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.344 3.281 -37.510 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.557 6.249 -36.987 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.028 5.509 -37.094 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.772 6.603 -38.927 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.057 6.311 -40.516 1.00 0.00 H new ATOM 1506 N TYR A 96 -3.004 3.104 -38.667 1.00 0.00 N ATOM 1507 CA TYR A 96 -3.940 2.931 -39.811 1.00 0.00 C ATOM 1508 C TYR A 96 -5.155 2.030 -39.428 1.00 0.00 C ATOM 1509 O TYR A 96 -6.301 2.477 -39.533 1.00 0.00 O ATOM 1510 CB TYR A 96 -3.079 2.403 -40.997 1.00 0.00 C ATOM 1511 CG TYR A 96 -3.806 2.179 -42.332 1.00 0.00 C ATOM 1512 CD1 TYR A 96 -4.101 3.259 -43.170 1.00 0.00 C ATOM 1513 CD2 TYR A 96 -4.159 0.884 -42.729 1.00 0.00 C ATOM 1514 CE1 TYR A 96 -4.752 3.046 -44.384 1.00 0.00 C ATOM 1515 CE2 TYR A 96 -4.809 0.674 -43.944 1.00 0.00 C ATOM 1516 CZ TYR A 96 -5.104 1.756 -44.770 1.00 0.00 C ATOM 1517 OH TYR A 96 -5.737 1.556 -45.967 1.00 0.00 O ATOM 0 H TYR A 96 -2.362 2.320 -38.550 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.412 3.868 -40.107 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -2.265 3.108 -41.167 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -2.625 1.459 -40.694 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.824 4.261 -42.876 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.927 0.044 -42.091 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -4.984 3.883 -45.026 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -5.084 -0.326 -44.245 1.00 0.00 H new ATOM 0 HH TYR A 96 -5.913 0.600 -46.088 1.00 0.00 H new ATOM 1527 N ASN A 97 -4.926 0.759 -39.040 1.00 0.00 N ATOM 1528 CA ASN A 97 -6.020 -0.199 -38.756 1.00 0.00 C ATOM 1529 C ASN A 97 -5.489 -1.349 -37.844 1.00 0.00 C ATOM 1530 O ASN A 97 -4.597 -2.064 -38.308 1.00 0.00 O ATOM 1531 CB ASN A 97 -6.615 -0.723 -40.097 1.00 0.00 C ATOM 1532 CG ASN A 97 -8.090 -1.073 -39.979 1.00 0.00 C ATOM 1533 OD1 ASN A 97 -8.478 -2.217 -39.775 1.00 0.00 O ATOM 1534 ND2 ASN A 97 -8.932 -0.068 -40.046 1.00 0.00 N ATOM 0 H ASN A 97 -3.992 0.369 -38.915 1.00 0.00 H new ATOM 0 HA ASN A 97 -6.826 0.295 -38.214 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.485 0.035 -40.870 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.060 -1.604 -40.418 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.932 -0.232 -39.927 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.586 0.876 -40.217 1.00 0.00 H new ATOM 1541 N PRO A 98 -5.965 -1.609 -36.593 1.00 0.00 N ATOM 1542 CA PRO A 98 -5.341 -2.639 -35.707 1.00 0.00 C ATOM 1543 C PRO A 98 -5.483 -4.148 -36.087 1.00 0.00 C ATOM 1544 O PRO A 98 -4.629 -4.947 -35.699 1.00 0.00 O ATOM 1545 CB PRO A 98 -5.947 -2.277 -34.343 1.00 0.00 C ATOM 1546 CG PRO A 98 -7.312 -1.657 -34.658 1.00 0.00 C ATOM 1547 CD PRO A 98 -7.103 -0.901 -35.971 1.00 0.00 C ATOM 0 HA PRO A 98 -4.254 -2.590 -35.770 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -6.052 -3.160 -33.713 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -5.311 -1.575 -33.804 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -8.080 -2.423 -34.761 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -7.635 -0.986 -33.862 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -7.992 -0.936 -36.601 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -6.876 0.151 -35.798 1.00 0.00 H new ATOM 1555 N LYS A 99 -6.533 -4.524 -36.835 1.00 0.00 N ATOM 1556 CA LYS A 99 -6.691 -5.889 -37.406 1.00 0.00 C ATOM 1557 C LYS A 99 -6.015 -6.105 -38.798 1.00 0.00 C ATOM 1558 O LYS A 99 -5.430 -7.166 -39.021 1.00 0.00 O ATOM 1559 CB LYS A 99 -8.202 -6.258 -37.356 1.00 0.00 C ATOM 1560 CG LYS A 99 -9.154 -5.510 -38.332 1.00 0.00 C ATOM 1561 CD LYS A 99 -10.641 -5.534 -37.924 1.00 0.00 C ATOM 1562 CE LYS A 99 -10.982 -4.503 -36.833 1.00 0.00 C ATOM 1563 NZ LYS A 99 -12.419 -4.577 -36.503 1.00 0.00 N ATOM 0 H LYS A 99 -7.302 -3.895 -37.066 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.130 -6.592 -36.790 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.294 -7.327 -37.549 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.557 -6.085 -36.340 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.829 -4.472 -38.411 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.056 -5.951 -39.324 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.256 -5.342 -38.803 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.898 -6.531 -37.567 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.385 -4.693 -35.941 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.730 -3.500 -37.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.642 -3.878 -35.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.981 -4.374 -37.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.647 -5.531 -36.156 1.00 0.00 H new ATOM 1576 N LEU A 100 -6.088 -5.124 -39.723 1.00 0.00 N ATOM 1577 CA LEU A 100 -5.400 -5.200 -41.039 1.00 0.00 C ATOM 1578 C LEU A 100 -3.893 -4.784 -40.947 1.00 0.00 C ATOM 1579 O LEU A 100 -3.027 -5.615 -41.227 1.00 0.00 O ATOM 1580 CB LEU A 100 -6.268 -4.425 -42.080 1.00 0.00 C ATOM 1581 CG LEU A 100 -6.033 -4.730 -43.586 1.00 0.00 C ATOM 1582 CD1 LEU A 100 -7.197 -4.168 -44.423 1.00 0.00 C ATOM 1583 CD2 LEU A 100 -4.716 -4.155 -44.141 1.00 0.00 C ATOM 0 H LEU A 100 -6.619 -4.264 -39.585 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.329 -6.230 -41.390 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.316 -4.624 -41.857 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.106 -3.358 -41.924 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.972 -5.816 -43.662 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.025 -4.386 -45.477 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.131 -4.631 -44.104 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.260 -3.089 -44.281 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.624 -4.410 -45.197 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.716 -3.071 -44.028 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.875 -4.577 -43.592 1.00 0.00 H new ATOM 1595 N ASP A 101 -3.591 -3.519 -40.572 1.00 0.00 N ATOM 1596 CA ASP A 101 -2.205 -2.963 -40.464 1.00 0.00 C ATOM 1597 C ASP A 101 -1.230 -3.139 -41.691 1.00 0.00 C ATOM 1598 O ASP A 101 -1.581 -3.740 -42.708 1.00 0.00 O ATOM 1599 CB ASP A 101 -1.631 -3.276 -39.044 1.00 0.00 C ATOM 1600 CG ASP A 101 -1.153 -4.706 -38.774 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -1.755 -5.483 -38.041 1.00 0.00 O ATOM 1602 OD2 ASP A 101 0.017 -5.004 -39.416 1.00 0.00 O ATOM 0 H ASP A 101 -4.310 -2.837 -40.330 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.300 -1.881 -40.556 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.794 -2.602 -38.864 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.399 -3.034 -38.310 1.00 0.00 H new ATOM 1608 N VAL A 102 0.011 -2.612 -41.608 1.00 0.00 N ATOM 1609 CA VAL A 102 1.083 -2.929 -42.609 1.00 0.00 C ATOM 1610 C VAL A 102 2.404 -3.209 -41.810 1.00 0.00 C ATOM 1611 O VAL A 102 2.595 -4.334 -41.343 1.00 0.00 O ATOM 1612 CB VAL A 102 1.171 -1.920 -43.823 1.00 0.00 C ATOM 1613 CG1 VAL A 102 2.145 -2.406 -44.919 1.00 0.00 C ATOM 1614 CG2 VAL A 102 -0.167 -1.614 -44.539 1.00 0.00 C ATOM 0 H VAL A 102 0.305 -1.971 -40.871 1.00 0.00 H new ATOM 0 HA VAL A 102 0.835 -3.836 -43.161 1.00 0.00 H new ATOM 0 HB VAL A 102 1.520 -1.010 -43.336 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.171 -1.679 -45.731 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.144 -2.513 -44.496 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.808 -3.369 -45.304 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.009 -0.912 -45.354 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.585 -2.538 -44.939 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -0.868 -1.176 -43.828 1.00 0.00 H new ATOM 1624 N LYS A 103 3.304 -2.221 -41.643 1.00 0.00 N ATOM 1625 CA LYS A 103 4.662 -2.424 -41.049 1.00 0.00 C ATOM 1626 C LYS A 103 4.958 -1.249 -40.080 1.00 0.00 C ATOM 1627 O LYS A 103 4.995 -0.100 -40.519 1.00 0.00 O ATOM 1628 CB LYS A 103 5.742 -2.426 -42.170 1.00 0.00 C ATOM 1629 CG LYS A 103 5.688 -3.585 -43.192 1.00 0.00 C ATOM 1630 CD LYS A 103 6.631 -4.766 -42.895 1.00 0.00 C ATOM 1631 CE LYS A 103 6.287 -5.552 -41.616 1.00 0.00 C ATOM 1632 NZ LYS A 103 7.158 -6.735 -41.493 1.00 0.00 N ATOM 0 H LYS A 103 3.121 -1.255 -41.913 1.00 0.00 H new ATOM 0 HA LYS A 103 4.687 -3.378 -40.522 1.00 0.00 H new ATOM 0 HB2 LYS A 103 5.664 -1.487 -42.718 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.723 -2.438 -41.696 1.00 0.00 H new ATOM 0 HG2 LYS A 103 4.666 -3.960 -43.238 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.927 -3.189 -44.179 1.00 0.00 H new ATOM 0 HD2 LYS A 103 6.613 -5.451 -43.743 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.650 -4.389 -42.811 1.00 0.00 H new ATOM 0 HE2 LYS A 103 6.408 -4.910 -40.743 1.00 0.00 H new ATOM 0 HE3 LYS A 103 5.242 -5.862 -41.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 6.915 -7.256 -40.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.022 -7.353 -42.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.152 -6.431 -41.448 1.00 0.00 H new ATOM 1645 N LEU A 104 5.169 -1.499 -38.777 1.00 0.00 N ATOM 1646 CA LEU A 104 5.321 -0.409 -37.748 1.00 0.00 C ATOM 1647 C LEU A 104 6.006 -0.853 -36.403 1.00 0.00 C ATOM 1648 O LEU A 104 5.686 -0.367 -35.316 1.00 0.00 O ATOM 1649 CB LEU A 104 4.004 0.415 -37.586 1.00 0.00 C ATOM 1650 CG LEU A 104 2.648 -0.279 -37.277 1.00 0.00 C ATOM 1651 CD1 LEU A 104 1.959 -0.856 -38.524 1.00 0.00 C ATOM 1652 CD2 LEU A 104 2.788 -1.384 -36.227 1.00 0.00 C ATOM 0 H LEU A 104 5.241 -2.441 -38.392 1.00 0.00 H new ATOM 0 HA LEU A 104 6.060 0.285 -38.148 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.179 1.139 -36.790 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.868 0.981 -38.508 1.00 0.00 H new ATOM 0 HG LEU A 104 2.017 0.517 -36.881 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.019 -1.326 -38.236 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.761 -0.053 -39.234 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.608 -1.599 -38.987 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.814 -1.839 -36.045 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.481 -2.143 -36.588 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.168 -0.958 -35.299 1.00 0.00 H new ATOM 1664 N LEU A 105 6.987 -1.760 -36.483 1.00 0.00 N ATOM 1665 CA LEU A 105 7.532 -2.509 -35.317 1.00 0.00 C ATOM 1666 C LEU A 105 8.915 -2.063 -34.730 1.00 0.00 C ATOM 1667 O LEU A 105 9.340 -2.634 -33.723 1.00 0.00 O ATOM 1668 CB LEU A 105 7.447 -4.026 -35.667 1.00 0.00 C ATOM 1669 CG LEU A 105 8.339 -4.633 -36.791 1.00 0.00 C ATOM 1670 CD1 LEU A 105 8.239 -6.168 -36.755 1.00 0.00 C ATOM 1671 CD2 LEU A 105 7.984 -4.167 -38.216 1.00 0.00 C ATOM 0 H LEU A 105 7.438 -2.006 -37.364 1.00 0.00 H new ATOM 0 HA LEU A 105 6.907 -2.258 -34.460 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.662 -4.579 -34.753 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.411 -4.237 -35.931 1.00 0.00 H new ATOM 0 HG LEU A 105 9.348 -4.278 -36.582 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.863 -6.592 -37.542 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.580 -6.532 -35.786 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.203 -6.469 -36.912 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.656 -4.640 -38.932 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.956 -4.447 -38.445 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.089 -3.084 -38.281 1.00 0.00 H new ATOM 1683 N TYR A 106 9.603 -1.054 -35.296 1.00 0.00 N ATOM 1684 CA TYR A 106 10.996 -0.691 -34.908 1.00 0.00 C ATOM 1685 C TYR A 106 11.102 0.821 -34.459 1.00 0.00 C ATOM 1686 O TYR A 106 11.756 1.602 -35.163 1.00 0.00 O ATOM 1687 CB TYR A 106 11.949 -1.017 -36.107 1.00 0.00 C ATOM 1688 CG TYR A 106 11.913 -2.409 -36.772 1.00 0.00 C ATOM 1689 CD1 TYR A 106 12.339 -3.546 -36.079 1.00 0.00 C ATOM 1690 CD2 TYR A 106 11.521 -2.527 -38.112 1.00 0.00 C ATOM 1691 CE1 TYR A 106 12.386 -4.782 -36.722 1.00 0.00 C ATOM 1692 CE2 TYR A 106 11.584 -3.759 -38.756 1.00 0.00 C ATOM 1693 CZ TYR A 106 12.013 -4.886 -38.061 1.00 0.00 C ATOM 1694 OH TYR A 106 12.063 -6.095 -38.700 1.00 0.00 O ATOM 0 H TYR A 106 9.218 -0.464 -36.034 1.00 0.00 H new ATOM 0 HA TYR A 106 11.298 -1.280 -34.042 1.00 0.00 H new ATOM 0 HB2 TYR A 106 11.751 -0.281 -36.887 1.00 0.00 H new ATOM 0 HB3 TYR A 106 12.970 -0.850 -35.763 1.00 0.00 H new ATOM 0 HD1 TYR A 106 12.632 -3.467 -35.043 1.00 0.00 H new ATOM 0 HD2 TYR A 106 11.168 -1.658 -38.647 1.00 0.00 H new ATOM 0 HE1 TYR A 106 12.711 -5.659 -36.183 1.00 0.00 H new ATOM 0 HE2 TYR A 106 11.300 -3.841 -39.795 1.00 0.00 H new ATOM 0 HH TYR A 106 11.768 -5.987 -39.628 1.00 0.00 H new ATOM 1704 N PRO A 107 10.532 1.322 -33.319 1.00 0.00 N ATOM 1705 CA PRO A 107 10.725 2.735 -32.874 1.00 0.00 C ATOM 1706 C PRO A 107 12.180 3.047 -32.413 1.00 0.00 C ATOM 1707 O PRO A 107 12.760 2.314 -31.605 1.00 0.00 O ATOM 1708 CB PRO A 107 9.693 2.856 -31.742 1.00 0.00 C ATOM 1709 CG PRO A 107 9.535 1.438 -31.185 1.00 0.00 C ATOM 1710 CD PRO A 107 9.681 0.531 -32.407 1.00 0.00 C ATOM 0 HA PRO A 107 10.580 3.461 -33.674 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.035 3.546 -30.970 1.00 0.00 H new ATOM 0 HB3 PRO A 107 8.744 3.240 -32.115 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.295 1.219 -30.435 1.00 0.00 H new ATOM 0 HG3 PRO A 107 8.565 1.305 -30.705 1.00 0.00 H new ATOM 0 HD2 PRO A 107 10.145 -0.421 -32.148 1.00 0.00 H new ATOM 0 HD3 PRO A 107 8.714 0.303 -32.856 1.00 0.00 H new ATOM 1718 N VAL A 108 12.785 4.111 -32.969 1.00 0.00 N ATOM 1719 CA VAL A 108 14.280 4.259 -32.930 1.00 0.00 C ATOM 1720 C VAL A 108 14.773 4.773 -31.543 1.00 0.00 C ATOM 1721 O VAL A 108 14.820 5.983 -31.300 1.00 0.00 O ATOM 1722 CB VAL A 108 14.816 5.161 -34.088 1.00 0.00 C ATOM 1723 CG1 VAL A 108 16.359 5.204 -34.118 1.00 0.00 C ATOM 1724 CG2 VAL A 108 14.347 4.717 -35.485 1.00 0.00 C ATOM 0 H VAL A 108 12.293 4.870 -33.442 1.00 0.00 H new ATOM 0 HA VAL A 108 14.694 3.262 -33.081 1.00 0.00 H new ATOM 0 HB VAL A 108 14.403 6.146 -33.869 1.00 0.00 H new ATOM 0 HG11 VAL A 108 16.689 5.842 -34.938 1.00 0.00 H new ATOM 0 HG12 VAL A 108 16.730 5.604 -33.175 1.00 0.00 H new ATOM 0 HG13 VAL A 108 16.748 4.196 -34.263 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.758 5.390 -36.238 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.692 3.701 -35.679 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.258 4.745 -35.529 1.00 0.00 H new ATOM 1734 N SER A 109 15.176 3.861 -30.646 1.00 0.00 N ATOM 1735 CA SER A 109 15.302 4.196 -29.209 1.00 0.00 C ATOM 1736 C SER A 109 16.507 5.114 -28.834 1.00 0.00 C ATOM 1737 O SER A 109 17.668 4.700 -28.921 1.00 0.00 O ATOM 1738 CB SER A 109 15.326 2.884 -28.390 1.00 0.00 C ATOM 1739 OG SER A 109 16.549 2.171 -28.593 1.00 0.00 O ATOM 0 H SER A 109 15.418 2.898 -30.879 1.00 0.00 H new ATOM 0 HA SER A 109 14.429 4.800 -28.960 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.206 3.111 -27.331 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.483 2.256 -28.679 1.00 0.00 H new ATOM 0 HG SER A 109 17.278 2.808 -28.747 1.00 0.00 H new ATOM 1745 N LYS A 110 16.201 6.364 -28.450 1.00 0.00 N ATOM 1746 CA LYS A 110 17.184 7.468 -28.256 1.00 0.00 C ATOM 1747 C LYS A 110 18.184 7.742 -29.430 1.00 0.00 C ATOM 1748 O LYS A 110 19.342 8.106 -29.207 1.00 0.00 O ATOM 1749 CB LYS A 110 17.798 7.423 -26.823 1.00 0.00 C ATOM 1750 CG LYS A 110 16.821 7.539 -25.622 1.00 0.00 C ATOM 1751 CD LYS A 110 15.962 8.826 -25.597 1.00 0.00 C ATOM 1752 CE LYS A 110 15.059 8.967 -24.361 1.00 0.00 C ATOM 1753 NZ LYS A 110 15.821 9.509 -23.216 1.00 0.00 N ATOM 0 H LYS A 110 15.242 6.653 -28.258 1.00 0.00 H new ATOM 0 HA LYS A 110 16.606 8.390 -28.317 1.00 0.00 H new ATOM 0 HB2 LYS A 110 18.347 6.487 -26.721 1.00 0.00 H new ATOM 0 HB3 LYS A 110 18.527 8.230 -26.743 1.00 0.00 H new ATOM 0 HG2 LYS A 110 16.155 6.676 -25.631 1.00 0.00 H new ATOM 0 HG3 LYS A 110 17.397 7.487 -24.698 1.00 0.00 H new ATOM 0 HD2 LYS A 110 16.624 9.690 -25.648 1.00 0.00 H new ATOM 0 HD3 LYS A 110 15.339 8.849 -26.491 1.00 0.00 H new ATOM 0 HE2 LYS A 110 14.221 9.625 -24.590 1.00 0.00 H new ATOM 0 HE3 LYS A 110 14.640 7.996 -24.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 15.163 9.771 -22.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 16.484 8.788 -22.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 16.352 10.350 -23.519 1.00 0.00 H new ATOM 1766 N TYR A 111 17.698 7.650 -30.684 1.00 0.00 N ATOM 1767 CA TYR A 111 18.517 7.908 -31.887 1.00 0.00 C ATOM 1768 C TYR A 111 17.556 8.260 -33.033 1.00 0.00 C ATOM 1769 O TYR A 111 17.625 9.334 -33.637 1.00 0.00 O ATOM 1770 CB TYR A 111 19.427 6.671 -32.165 1.00 0.00 C ATOM 1771 CG TYR A 111 20.361 6.733 -33.384 1.00 0.00 C ATOM 1772 CD1 TYR A 111 21.381 7.690 -33.433 1.00 0.00 C ATOM 1773 CD2 TYR A 111 20.235 5.810 -34.430 1.00 0.00 C ATOM 1774 CE1 TYR A 111 22.241 7.742 -34.526 1.00 0.00 C ATOM 1775 CE2 TYR A 111 21.104 5.861 -35.520 1.00 0.00 C ATOM 1776 CZ TYR A 111 22.094 6.838 -35.574 1.00 0.00 C ATOM 1777 OH TYR A 111 22.872 6.967 -36.693 1.00 0.00 O ATOM 0 H TYR A 111 16.732 7.396 -30.892 1.00 0.00 H new ATOM 0 HA TYR A 111 19.198 8.750 -31.761 1.00 0.00 H new ATOM 0 HB2 TYR A 111 20.040 6.500 -31.280 1.00 0.00 H new ATOM 0 HB3 TYR A 111 18.783 5.799 -32.280 1.00 0.00 H new ATOM 0 HD1 TYR A 111 21.501 8.391 -32.620 1.00 0.00 H new ATOM 0 HD2 TYR A 111 19.462 5.056 -34.392 1.00 0.00 H new ATOM 0 HE1 TYR A 111 23.024 8.485 -34.561 1.00 0.00 H new ATOM 0 HE2 TYR A 111 21.009 5.143 -36.321 1.00 0.00 H new ATOM 0 HH TYR A 111 23.347 7.823 -36.664 1.00 0.00 H new TER 1787 TYR A 111 END