USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1020 hydrogens (18 hets) HEADER PEPTIDE BINDING PROTEIN 14-SEP-00 1FU5 TITLE NMR STRUCTURE OF THE N-SH2 DOMAIN OF THE P85 SUBUNIT OF PI3- TITLE 2 KINASE COMPLEXED TO A DOUBLY PHOSPHORYLATED PEPTIDE TITLE 3 DERIVED FROM POLYOMAVIRUS MIDDLE T ANTIGEN COMPND MOL_ID: 1; COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 3-KINASE REGULATORY ALPHA COMPND 3 SUBUNIT; COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: RESIDUES 321 TO 431 OF P85, N-SH2 (SRC HOMOLOGY COMPND 6 2) DOMAIN; COMPND 7 SYNONYM: PI3-KINASE P85-ALPHA SUBUNIT, PTDINS-3-KINASE P85- COMPND 8 ALPHA, PI3K; COMPND 9 ENGINEERED: YES; COMPND 0 MOL_ID: 2; COMPND 1 MOLECULE: DOUBLY PHOSPHORYLATED MIDDLE T ANTIGEN; COMPND 2 CHAIN: B; COMPND 3 FRAGMENT: RESIDUES 312 TO 326 OF MT ANTIGEN, Y315 AND Y322 COMPND 4 PHOSPHORYLATED; COMPND 5 SYNONYM: MT PEPTIDE; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 MOL_ID: 2; SOURCE 8 SYNTHETIC: YES; SOURCE 9 OTHER_DETAILS: MT PEPTIDE WAS SYNTHESIZED BY THE TUFTS SOURCE 0 PROTEIN CHEMISTRY FACILITY KEYWDS PROTEIN-PEPTIDE COMPLEX, PEPTIDE BINDING PROTEIN EXPDTA SOLUTION NMR AUTHOR T.WEBER,B.SCHAFFHAUSEN,Y.LIU,U.L.GUENTHER REVDAT 3 24-FEB-09 1FU5 1 VERSN REVDAT 2 01-APR-03 1FU5 1 JRNL REVDAT 1 21-FEB-01 1FU5 0 JRNL AUTH T.WEBER,B.SCHAFFHAUSEN,Y.LIU,U.L.GUNTHER JRNL TITL NMR STRUCTURE OF THE N-SH2 OF THE P85 SUBUNIT OF JRNL TITL 2 PHOSPHOINOSITIDE 3-KINASE COMPLEXED TO A DOUBLY JRNL TITL 3 PHOSPHORYLATED PEPTIDE REVEALS A SECOND JRNL TITL 4 PHOSPHOTYROSINE BINDING SITE. JRNL REF BIOCHEMISTRY V. 39 15860 2000 JRNL REFN ISSN 0006-2960 JRNL PMID 11123912 JRNL DOI 10.1021/BI001474D REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER REMARK 3 AUTHORS : MSI REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE WITH THE LOWEST ENERGY REMARK 3 IS PRESENTED REMARK 4 REMARK 4 1FU5 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-SEP-00. REMARK 100 THE RCSB ID CODE IS RCSB011903. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 305 REMARK 210 PH : 6.8 REMARK 210 IONIC STRENGTH : 0.1MM REMARK 210 PRESSURE : 1 BAR REMARK 210 SAMPLE CONTENTS : 0.15MM N-SH2 15N, 13C; MT REMARK 210 PEPTIDE; 0.1MM KCL; 95% H2O, REMARK 210 5% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D_13C-SEPARATED_ REMARK 210 NOESY, 3D_15N-SEPARATED_NOESY, REMARK 210 13C{F1}-FILTERED 2D-NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRLAB, PRONTO, NMR2ST, DYANA REMARK 210 METHOD USED : THE STRUCTURES WERE ENERGY REMARK 210 MINIMIZED WITH MSI DISCOVER. REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 110 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH FAVORABLE NON REMARK 210 -BOND ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NOESY ASSIGNMENTS WERE OBTAINED BY A SEMI-AUTOMATIC REMARK 210 PROCEDURE EMPLOYING A PROGRAM FROM PRISTOVSEK [PRISTOVSEK, P. REMARK 210 & KIDRIC, J. (1997) BIOPOL. 42, 671-679)]. INITIAL REMARK 210 CALCULATIONS INCLUDED ONLY INTRAMOLECULAR CONSTRAINTS. THE REMARK 210 OBSERVED NOES DERIVED FROM 13C{F1}-FILTERED 2D-NOESY SPECTRA REMARK 210 WERE INCORPORATED INTO THE STRUCTURE CALCULATION WHEN THE REMARK 210 PROTEIN FOLD WAS ALREADY CORRECT. 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 LEU B 15 C LEU B 15 OXT 0.151 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 ASN A 3 87.69 58.86 REMARK 500 MET A 6 139.89 -179.89 REMARK 500 SER A 7 154.39 62.20 REMARK 500 GLN A 9 40.07 34.23 REMARK 500 ASP A 10 31.83 -159.73 REMARK 500 GLU A 12 -73.92 65.24 REMARK 500 TYR A 14 34.40 -87.84 REMARK 500 ASP A 17 108.25 52.00 REMARK 500 SER A 19 103.52 76.53 REMARK 500 ARG A 20 -70.27 -30.12 REMARK 500 ASP A 29 39.58 175.70 REMARK 500 THR A 30 -77.66 -55.68 REMARK 500 THR A 34 45.72 -82.27 REMARK 500 PHE A 35 163.63 -42.98 REMARK 500 LEU A 36 155.86 177.95 REMARK 500 ARG A 38 -44.29 -137.31 REMARK 500 ASP A 39 147.06 57.01 REMARK 500 ALA A 40 -138.79 -177.42 REMARK 500 THR A 42 89.14 -54.68 REMARK 500 HIS A 45 71.35 -101.53 REMARK 500 TYR A 48 28.77 -158.95 REMARK 500 THR A 49 -176.16 47.82 REMARK 500 LEU A 50 145.00 178.90 REMARK 500 ASN A 58 119.69 60.90 REMARK 500 SER A 60 -47.41 168.91 REMARK 500 ILE A 61 141.32 57.27 REMARK 500 LYS A 62 143.71 174.57 REMARK 500 ARG A 66 -85.01 -138.93 REMARK 500 ASP A 67 61.81 -100.04 REMARK 500 TYR A 70 -165.98 -53.87 REMARK 500 PHE A 72 -31.83 -36.50 REMARK 500 ASP A 74 86.70 61.83 REMARK 500 THR A 77 44.96 152.61 REMARK 500 VAL A 81 38.51 -90.69 REMARK 500 ASN A 90 116.95 151.18 REMARK 500 GLU A 91 -18.51 154.99 REMARK 500 SER A 92 160.90 89.48 REMARK 500 ALA A 94 64.20 -65.37 REMARK 500 GLN A 95 -84.37 -66.53 REMARK 500 ASN A 97 148.35 -178.70 REMARK 500 PRO A 98 48.19 -75.00 REMARK 500 LEU A 100 -76.80 -125.30 REMARK 500 ASP A 101 66.06 30.35 REMARK 500 LYS A 103 164.55 78.26 REMARK 500 LEU A 104 27.24 -160.29 REMARK 500 LYS A 110 93.25 46.20 REMARK 500 MET B 7 152.39 169.34 REMARK 500 GLU B 8 -99.29 174.66 REMARK 500 ASP B 9 126.14 73.44 REMARK 500 ASP B 13 -165.34 43.22 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1FU6 RELATED DB: PDB REMARK 900 1FU6 IS NMR STRUCTURE OF THE N-SH2 DOMAIN OF THE P85 REMARK 900 SUBUNIT OF PI3-KINASE DBREF 1FU5 A 1 111 UNP Q63787 P85A_RAT 321 431 DBREF 1FU5 B 1 15 UNP P03076 TAMI_POVM3 331 345 SEQADV 1FU5 SER A 60 UNP Q63787 LEU 380 CONFLICT SEQADV 1FU5 PTR B 4 UNP P03076 TYR 334 MODIFIED RESIDUE SEQADV 1FU5 PTR B 11 UNP P03076 TYR 341 MODIFIED RESIDUE 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 PRO LEU THR PHE SEQRES 7 A 111 ASN SER VAL VAL GLU LEU ILE ASN HIS TYR ARG ASN GLU SEQRES 8 A 111 SER LEU ALA GLN TYR ASN PRO LYS LEU ASP VAL LYS LEU SEQRES 9 A 111 LEU TYR PRO VAL SER LYS TYR SEQRES 1 B 15 GLU GLU GLU PTR MET PRO MET GLU ASP LEU PTR LEU ASP SEQRES 2 B 15 ILE LEU MODRES 1FU5 PTR B 4 TYR O-PHOSPHOTYROSINE MODRES 1FU5 PTR B 11 TYR O-PHOSPHOTYROSINE HET PTR B 4 25 HET PTR B 11 25 HETNAM PTR O-PHOSPHOTYROSINE HETSYN PTR PHOSPHONOTYROSINE FORMUL 2 PTR 2(C9 H12 N O6 P) HELIX 1 1 SER A 19 LEU A 27 1 9 HELIX 2 2 VAL A 82 TYR A 88 1 7 LINK C GLU B 3 N PTR B 4 1555 1555 1.33 LINK C PTR B 4 N MET B 5 1555 1555 1.32 LINK C LEU B 10 N PTR B 11 1555 1555 1.33 LINK C PTR B 11 N LEU B 12 1555 1555 1.33 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 4 PTR HN2 : B 4 PTR N : B 3 GLU C :(H bumps) USER MOD NoAdj-H: B 11 PTR H : B 11 PTR N : B 10 LEU C :(H bumps) USER MOD Set 1.1: B 5 MET CE :methyl -138:sc= -13.6! (180deg=-11.7!) USER MOD Set 1.2: B 7 MET CE :methyl -118:sc= -12.2! (180deg=-15.6!) USER MOD Set 2.1: A 86 ASN :FLIP amide:sc= -6.72! C(o=-15!,f=-15!) USER MOD Set 2.2: A 87 HIS :FLIP no HD1:sc= -8.65! C(o=-18!,f=-15!) USER MOD Set 3.1: A 26 LYS NZ :NH3+ 139:sc= -4.19 (180deg=-4.26!) USER MOD Set 3.2: A 110 LYS NZ :NH3+ -128:sc= -2.37 (180deg=0) USER MOD Set 4.1: A 1 GLY N :NH3+ -172:sc= 0.051 (180deg=0) USER MOD Set 4.2: A 4 ASN : amide:sc= 0.0483 X(o=0.099,f=0) USER MOD Single : A 2 MET CE :methyl 147:sc= -0.305 (180deg=-1.29) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 5 ASN : amide:sc= -0.0168 X(o=-0.017,f=-0.14) USER MOD Single : A 6 MET CE :methyl 163:sc= -0.0603 (180deg=-0.381) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0129 USER MOD Single : A 9 GLN : amide:sc= -0.368 K(o=-0.37,f=-3.1!) USER MOD Single : A 14 TYR OH : rot -171:sc= 0.255 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc=-0.00942 X(o=-0.0094,f=-0.39) USER MOD Single : A 30 THR OG1 : rot -110:sc= -0.0927 USER MOD Single : A 34 THR OG1 : rot 120:sc= -1.5 USER MOD Single : A 41 SER OG : rot -77:sc= 0.25 USER MOD Single : A 42 THR OG1 : rot 47:sc= 1.04 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= -0.204 X(o=-0.2,f=-0.068) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.845 USER MOD Single : A 51 THR OG1 : rot -98:sc= 0.0095 USER MOD Single : A 54 LYS NZ :NH3+ 132:sc= -14.4! (180deg=-18.4!) USER MOD Single : A 57 ASN : amide:sc=-0.00329 X(o=-0.0033,f=-0.004) USER MOD Single : A 58 ASN :FLIP amide:sc= -2.55 F(o=-8.8!,f=-2.5) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -93:sc= -0.725! USER MOD Single : A 62 LYS NZ :NH3+ -108:sc= -3! (180deg=-6.46!) USER MOD Single : A 65 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-3.7!) USER MOD Single : A 69 LYS NZ :NH3+ -121:sc= -5.16! (180deg=-9.93!) USER MOD Single : A 70 TYR OH : rot -50:sc= 0.463 USER MOD Single : A 73 SER OG : rot 58:sc= -1.13 USER MOD Single : A 77 THR OG1 : rot -65:sc= 0.855 USER MOD Single : A 79 ASN : amide:sc= -6.78! C(o=-6.8!,f=-8.2!) USER MOD Single : A 80 SER OG : rot -140:sc= -1.19 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -1.57! C(o=-1.6!,f=-1.9!) USER MOD Single : A 92 SER OG : rot -75:sc= 0.924 USER MOD Single : A 95 GLN : amide:sc= -2.27 K(o=-2.3,f=-4.3!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.448 K(o=-0.45,f=-3.4!) USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0824) USER MOD Single : A 103 LYS NZ :NH3+ -122:sc= -7.56! (180deg=-9.48!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -49:sc= 1.04 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 GLU N :NH3+ -123:sc= 0.127 (180deg=-0.144) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLY A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLY A 1 3.036 -1.188 -1.307 1.00 0.00 C ATOM 4 O GLY A 1 2.946 -2.018 -2.209 1.00 0.00 O ATOM 0 H1 GLY A 1 0.587 0.731 -0.039 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.883 -0.931 0.139 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.969 0.200 0.792 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.383 -0.042 -2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.632 0.931 -1.337 1.00 0.00 H new ATOM 10 N MET A 2 3.935 -1.230 -0.335 1.00 0.00 N ATOM 11 CA MET A 2 4.914 -2.302 -0.267 1.00 0.00 C ATOM 12 C MET A 2 5.124 -2.762 1.177 1.00 0.00 C ATOM 13 O MET A 2 6.121 -2.410 1.806 1.00 0.00 O ATOM 14 CB MET A 2 6.244 -1.818 -0.847 1.00 0.00 C ATOM 15 CG MET A 2 6.353 -2.166 -2.333 1.00 0.00 C ATOM 16 SD MET A 2 5.799 -0.789 -3.325 1.00 0.00 S ATOM 17 CE MET A 2 7.080 0.397 -2.952 1.00 0.00 C ATOM 0 H MET A 2 4.006 -0.539 0.412 1.00 0.00 H new ATOM 0 HA MET A 2 4.541 -3.146 -0.847 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.331 -0.740 -0.715 1.00 0.00 H new ATOM 0 HB3 MET A 2 7.070 -2.274 -0.301 1.00 0.00 H new ATOM 0 HG2 MET A 2 7.385 -2.413 -2.582 1.00 0.00 H new ATOM 0 HG3 MET A 2 5.752 -3.048 -2.553 1.00 0.00 H new ATOM 0 HE1 MET A 2 7.262 1.023 -3.826 1.00 0.00 H new ATOM 0 HE2 MET A 2 6.765 1.022 -2.117 1.00 0.00 H new ATOM 0 HE3 MET A 2 7.997 -0.129 -2.686 1.00 0.00 H new ATOM 27 N ASN A 3 4.168 -3.541 1.662 1.00 0.00 N ATOM 28 CA ASN A 3 4.236 -4.053 3.020 1.00 0.00 C ATOM 29 C ASN A 3 4.303 -2.879 4.000 1.00 0.00 C ATOM 30 O ASN A 3 5.390 -2.440 4.374 1.00 0.00 O ATOM 31 CB ASN A 3 5.486 -4.911 3.224 1.00 0.00 C ATOM 32 CG ASN A 3 5.377 -6.229 2.455 1.00 0.00 C ATOM 33 OD1 ASN A 3 4.369 -6.915 2.488 1.00 0.00 O ATOM 34 ND2 ASN A 3 6.469 -6.544 1.764 1.00 0.00 N ATOM 0 H ASN A 3 3.342 -3.830 1.138 1.00 0.00 H new ATOM 0 HA ASN A 3 3.349 -4.662 3.196 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.367 -4.362 2.890 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.622 -5.115 4.286 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.496 -7.405 1.218 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.279 -5.924 1.780 1.00 0.00 H new ATOM 41 N ASN A 4 3.129 -2.404 4.387 1.00 0.00 N ATOM 42 CA ASN A 4 3.041 -1.290 5.315 1.00 0.00 C ATOM 43 C ASN A 4 3.169 -1.814 6.747 1.00 0.00 C ATOM 44 O ASN A 4 4.069 -1.408 7.482 1.00 0.00 O ATOM 45 CB ASN A 4 1.693 -0.576 5.193 1.00 0.00 C ATOM 46 CG ASN A 4 1.792 0.620 4.244 1.00 0.00 C ATOM 47 OD1 ASN A 4 2.011 0.483 3.051 1.00 0.00 O ATOM 48 ND2 ASN A 4 1.618 1.798 4.838 1.00 0.00 N ATOM 0 H ASN A 4 2.230 -2.771 4.075 1.00 0.00 H new ATOM 0 HA ASN A 4 3.843 -0.590 5.079 1.00 0.00 H new ATOM 0 HB2 ASN A 4 0.939 -1.274 4.828 1.00 0.00 H new ATOM 0 HB3 ASN A 4 1.365 -0.239 6.176 1.00 0.00 H new ATOM 0 HD21 ASN A 4 1.665 2.657 4.290 1.00 0.00 H new ATOM 0 HD22 ASN A 4 1.438 1.842 5.841 1.00 0.00 H new ATOM 55 N ASN A 5 2.257 -2.708 7.101 1.00 0.00 N ATOM 56 CA ASN A 5 2.258 -3.291 8.431 1.00 0.00 C ATOM 57 C ASN A 5 2.980 -4.639 8.392 1.00 0.00 C ATOM 58 O ASN A 5 2.344 -5.690 8.457 1.00 0.00 O ATOM 59 CB ASN A 5 0.830 -3.534 8.927 1.00 0.00 C ATOM 60 CG ASN A 5 0.333 -2.354 9.765 1.00 0.00 C ATOM 61 OD1 ASN A 5 0.977 -1.910 10.701 1.00 0.00 O ATOM 62 ND2 ASN A 5 -0.845 -1.874 9.378 1.00 0.00 N ATOM 0 H ASN A 5 1.512 -3.042 6.489 1.00 0.00 H new ATOM 0 HA ASN A 5 2.760 -2.596 9.103 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.166 -3.685 8.076 1.00 0.00 H new ATOM 0 HB3 ASN A 5 0.798 -4.447 9.522 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.263 -1.087 9.874 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.331 -2.293 8.585 1.00 0.00 H new ATOM 69 N MET A 6 4.298 -4.565 8.287 1.00 0.00 N ATOM 70 CA MET A 6 5.114 -5.767 8.238 1.00 0.00 C ATOM 71 C MET A 6 6.599 -5.417 8.119 1.00 0.00 C ATOM 72 O MET A 6 6.967 -4.494 7.394 1.00 0.00 O ATOM 73 CB MET A 6 4.693 -6.622 7.042 1.00 0.00 C ATOM 74 CG MET A 6 4.363 -8.051 7.478 1.00 0.00 C ATOM 75 SD MET A 6 2.620 -8.369 7.259 1.00 0.00 S ATOM 76 CE MET A 6 2.146 -8.675 8.952 1.00 0.00 C ATOM 0 H MET A 6 4.822 -3.691 8.234 1.00 0.00 H new ATOM 0 HA MET A 6 4.964 -6.323 9.163 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.824 -6.175 6.559 1.00 0.00 H new ATOM 0 HB3 MET A 6 5.494 -6.639 6.303 1.00 0.00 H new ATOM 0 HG2 MET A 6 4.947 -8.762 6.894 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.639 -8.194 8.523 1.00 0.00 H new ATOM 0 HE1 MET A 6 1.063 -8.593 9.047 1.00 0.00 H new ATOM 0 HE2 MET A 6 2.461 -9.677 9.243 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.624 -7.942 9.602 1.00 0.00 H new ATOM 86 N SER A 7 7.412 -6.174 8.841 1.00 0.00 N ATOM 87 CA SER A 7 8.848 -5.956 8.825 1.00 0.00 C ATOM 88 C SER A 7 9.172 -4.561 9.363 1.00 0.00 C ATOM 89 O SER A 7 8.341 -3.656 9.292 1.00 0.00 O ATOM 90 CB SER A 7 9.416 -6.126 7.415 1.00 0.00 C ATOM 91 OG SER A 7 10.795 -5.775 7.348 1.00 0.00 O ATOM 0 H SER A 7 7.103 -6.939 9.441 1.00 0.00 H new ATOM 0 HA SER A 7 9.314 -6.703 9.467 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.290 -7.161 7.096 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.850 -5.506 6.719 1.00 0.00 H new ATOM 0 HG SER A 7 11.120 -5.899 6.432 1.00 0.00 H new ATOM 97 N LEU A 8 10.381 -4.430 9.889 1.00 0.00 N ATOM 98 CA LEU A 8 10.824 -3.160 10.439 1.00 0.00 C ATOM 99 C LEU A 8 10.755 -2.086 9.351 1.00 0.00 C ATOM 100 O LEU A 8 10.071 -1.076 9.513 1.00 0.00 O ATOM 101 CB LEU A 8 12.209 -3.305 11.073 1.00 0.00 C ATOM 102 CG LEU A 8 12.445 -2.509 12.358 1.00 0.00 C ATOM 103 CD1 LEU A 8 12.309 -1.006 12.105 1.00 0.00 C ATOM 104 CD2 LEU A 8 11.519 -2.987 13.478 1.00 0.00 C ATOM 0 H LEU A 8 11.067 -5.182 9.946 1.00 0.00 H new ATOM 0 HA LEU A 8 10.162 -2.842 11.244 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.381 -4.360 11.286 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.956 -3.002 10.339 1.00 0.00 H new ATOM 0 HG LEU A 8 13.468 -2.689 12.687 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.481 -0.463 13.035 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.043 -0.694 11.361 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.306 -0.788 11.739 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.708 -2.404 14.380 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.481 -2.856 13.172 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.708 -4.041 13.681 1.00 0.00 H new ATOM 116 N GLN A 9 11.472 -2.341 8.267 1.00 0.00 N ATOM 117 CA GLN A 9 11.500 -1.409 7.152 1.00 0.00 C ATOM 118 C GLN A 9 11.408 0.031 7.662 1.00 0.00 C ATOM 119 O GLN A 9 10.724 0.861 7.066 1.00 0.00 O ATOM 120 CB GLN A 9 10.379 -1.711 6.156 1.00 0.00 C ATOM 121 CG GLN A 9 9.025 -1.249 6.698 1.00 0.00 C ATOM 122 CD GLN A 9 8.287 -0.389 5.670 1.00 0.00 C ATOM 123 OE1 GLN A 9 8.828 0.006 4.650 1.00 0.00 O ATOM 124 NE2 GLN A 9 7.026 -0.120 5.995 1.00 0.00 N ATOM 0 H GLN A 9 12.038 -3.179 8.137 1.00 0.00 H new ATOM 0 HA GLN A 9 12.448 -1.528 6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.585 -1.212 5.209 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.347 -2.781 5.952 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.417 -2.116 6.955 1.00 0.00 H new ATOM 0 HG3 GLN A 9 9.172 -0.679 7.616 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.635 -0.482 6.865 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.450 0.449 5.375 1.00 0.00 H new ATOM 133 N ASP A 10 12.106 0.282 8.760 1.00 0.00 N ATOM 134 CA ASP A 10 12.111 1.607 9.356 1.00 0.00 C ATOM 135 C ASP A 10 13.338 1.750 10.259 1.00 0.00 C ATOM 136 O ASP A 10 13.294 2.456 11.265 1.00 0.00 O ATOM 137 CB ASP A 10 10.865 1.829 10.215 1.00 0.00 C ATOM 138 CG ASP A 10 10.241 3.222 10.100 1.00 0.00 C ATOM 139 OD1 ASP A 10 9.936 3.696 8.996 1.00 0.00 O ATOM 140 OD2 ASP A 10 10.067 3.835 11.222 1.00 0.00 O ATOM 0 H ASP A 10 12.672 -0.409 9.252 1.00 0.00 H new ATOM 0 HA ASP A 10 12.129 2.340 8.549 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.115 1.087 9.940 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.124 1.648 11.258 1.00 0.00 H new ATOM 146 N ALA A 11 14.405 1.069 9.866 1.00 0.00 N ATOM 147 CA ALA A 11 15.642 1.112 10.627 1.00 0.00 C ATOM 148 C ALA A 11 16.635 2.042 9.927 1.00 0.00 C ATOM 149 O ALA A 11 17.829 1.753 9.873 1.00 0.00 O ATOM 150 CB ALA A 11 16.189 -0.307 10.792 1.00 0.00 C ATOM 0 H ALA A 11 14.438 0.485 9.031 1.00 0.00 H new ATOM 0 HA ALA A 11 15.465 1.511 11.626 1.00 0.00 H new ATOM 0 HB1 ALA A 11 17.117 -0.275 11.363 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.459 -0.919 11.321 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.382 -0.739 9.810 1.00 0.00 H new ATOM 156 N GLU A 12 16.104 3.140 9.409 1.00 0.00 N ATOM 157 CA GLU A 12 16.928 4.114 8.715 1.00 0.00 C ATOM 158 C GLU A 12 17.512 3.503 7.439 1.00 0.00 C ATOM 159 O GLU A 12 17.071 3.822 6.336 1.00 0.00 O ATOM 160 CB GLU A 12 18.037 4.643 9.626 1.00 0.00 C ATOM 161 CG GLU A 12 17.541 4.789 11.066 1.00 0.00 C ATOM 162 CD GLU A 12 16.363 5.762 11.144 1.00 0.00 C ATOM 163 OE1 GLU A 12 16.177 6.585 10.235 1.00 0.00 O ATOM 164 OE2 GLU A 12 15.625 5.642 12.196 1.00 0.00 O ATOM 0 H GLU A 12 15.113 3.376 9.456 1.00 0.00 H new ATOM 0 HA GLU A 12 16.299 4.959 8.435 1.00 0.00 H new ATOM 0 HB2 GLU A 12 18.890 3.965 9.598 1.00 0.00 H new ATOM 0 HB3 GLU A 12 18.385 5.608 9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 12 17.239 3.815 11.451 1.00 0.00 H new ATOM 0 HG3 GLU A 12 18.353 5.144 11.700 1.00 0.00 H new ATOM 172 N TRP A 13 18.494 2.635 7.633 1.00 0.00 N ATOM 173 CA TRP A 13 19.142 1.976 6.511 1.00 0.00 C ATOM 174 C TRP A 13 18.061 1.276 5.685 1.00 0.00 C ATOM 175 O TRP A 13 18.222 1.086 4.480 1.00 0.00 O ATOM 176 CB TRP A 13 20.237 1.023 6.994 1.00 0.00 C ATOM 177 CG TRP A 13 19.907 -0.458 6.789 1.00 0.00 C ATOM 178 CD1 TRP A 13 19.673 -1.099 5.636 1.00 0.00 C ATOM 179 CD2 TRP A 13 19.785 -1.461 7.819 1.00 0.00 C ATOM 180 NE1 TRP A 13 19.409 -2.437 5.846 1.00 0.00 N ATOM 181 CE2 TRP A 13 19.479 -2.665 7.216 1.00 0.00 C ATOM 182 CE3 TRP A 13 19.927 -1.357 9.213 1.00 0.00 C ATOM 183 CZ2 TRP A 13 19.291 -3.854 7.930 1.00 0.00 C ATOM 184 CZ3 TRP A 13 19.735 -2.554 9.913 1.00 0.00 C ATOM 185 CH2 TRP A 13 19.428 -3.773 9.320 1.00 0.00 C ATOM 0 H TRP A 13 18.857 2.373 8.550 1.00 0.00 H new ATOM 0 HA TRP A 13 19.648 2.703 5.876 1.00 0.00 H new ATOM 0 HB2 TRP A 13 21.164 1.254 6.469 1.00 0.00 H new ATOM 0 HB3 TRP A 13 20.418 1.201 8.054 1.00 0.00 H new ATOM 0 HD1 TRP A 13 19.689 -0.628 4.664 1.00 0.00 H new ATOM 0 HE1 TRP A 13 19.201 -3.131 5.128 1.00 0.00 H new ATOM 0 HE3 TRP A 13 20.166 -0.426 9.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.053 -4.784 7.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 19.832 -2.529 10.988 1.00 0.00 H new ATOM 0 HH2 TRP A 13 19.296 -4.654 9.930 1.00 0.00 H new ATOM 196 N TYR A 14 16.984 0.912 6.365 1.00 0.00 N ATOM 197 CA TYR A 14 15.877 0.238 5.709 1.00 0.00 C ATOM 198 C TYR A 14 14.882 1.248 5.135 1.00 0.00 C ATOM 199 O TYR A 14 13.678 0.999 5.120 1.00 0.00 O ATOM 200 CB TYR A 14 15.181 -0.585 6.795 1.00 0.00 C ATOM 201 CG TYR A 14 15.087 -2.079 6.480 1.00 0.00 C ATOM 202 CD1 TYR A 14 14.416 -2.506 5.352 1.00 0.00 C ATOM 203 CD2 TYR A 14 15.674 -3.001 7.323 1.00 0.00 C ATOM 204 CE1 TYR A 14 14.328 -3.912 5.055 1.00 0.00 C ATOM 205 CE2 TYR A 14 15.586 -4.407 7.027 1.00 0.00 C ATOM 206 CZ TYR A 14 14.917 -4.793 5.907 1.00 0.00 C ATOM 207 OH TYR A 14 14.834 -6.121 5.627 1.00 0.00 O ATOM 0 H TYR A 14 16.854 1.071 7.364 1.00 0.00 H new ATOM 0 HA TYR A 14 16.237 -0.377 4.884 1.00 0.00 H new ATOM 0 HB2 TYR A 14 15.718 -0.455 7.735 1.00 0.00 H new ATOM 0 HB3 TYR A 14 14.176 -0.192 6.946 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.957 -1.785 4.692 1.00 0.00 H new ATOM 0 HD2 TYR A 14 16.200 -2.667 8.205 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.806 -4.259 4.176 1.00 0.00 H new ATOM 0 HE2 TYR A 14 16.040 -5.138 7.679 1.00 0.00 H new ATOM 0 HH TYR A 14 15.172 -6.638 6.388 1.00 0.00 H new ATOM 217 N TRP A 15 15.422 2.368 4.676 1.00 0.00 N ATOM 218 CA TRP A 15 14.597 3.417 4.102 1.00 0.00 C ATOM 219 C TRP A 15 13.530 2.754 3.229 1.00 0.00 C ATOM 220 O TRP A 15 12.337 2.985 3.418 1.00 0.00 O ATOM 221 CB TRP A 15 15.451 4.430 3.338 1.00 0.00 C ATOM 222 CG TRP A 15 14.972 5.877 3.474 1.00 0.00 C ATOM 223 CD1 TRP A 15 15.323 6.778 4.401 1.00 0.00 C ATOM 224 CD2 TRP A 15 14.033 6.556 2.614 1.00 0.00 C ATOM 225 NE1 TRP A 15 14.683 7.984 4.202 1.00 0.00 N ATOM 226 CE2 TRP A 15 13.873 7.845 3.081 1.00 0.00 C ATOM 227 CE3 TRP A 15 13.342 6.097 1.479 1.00 0.00 C ATOM 228 CZ2 TRP A 15 13.026 8.780 2.474 1.00 0.00 C ATOM 229 CZ3 TRP A 15 12.500 7.044 0.884 1.00 0.00 C ATOM 230 CH2 TRP A 15 12.328 8.345 1.341 1.00 0.00 C ATOM 0 H TRP A 15 16.421 2.571 4.690 1.00 0.00 H new ATOM 0 HA TRP A 15 14.100 3.989 4.885 1.00 0.00 H new ATOM 0 HB2 TRP A 15 16.479 4.364 3.693 1.00 0.00 H new ATOM 0 HB3 TRP A 15 15.460 4.159 2.282 1.00 0.00 H new ATOM 0 HD1 TRP A 15 16.020 6.585 5.203 1.00 0.00 H new ATOM 0 HE1 TRP A 15 14.785 8.823 4.773 1.00 0.00 H new ATOM 0 HE3 TRP A 15 13.452 5.093 1.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 12.917 9.783 2.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 11.945 6.742 0.008 1.00 0.00 H new ATOM 0 HH2 TRP A 15 11.659 9.017 0.825 1.00 0.00 H new ATOM 241 N GLY A 16 13.998 1.944 2.291 1.00 0.00 N ATOM 242 CA GLY A 16 13.099 1.247 1.387 1.00 0.00 C ATOM 243 C GLY A 16 13.338 1.673 -0.062 1.00 0.00 C ATOM 244 O GLY A 16 12.821 2.698 -0.505 1.00 0.00 O ATOM 0 H GLY A 16 14.988 1.755 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 16 13.245 0.171 1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.066 1.454 1.665 1.00 0.00 H new ATOM 248 N ASP A 17 14.122 0.866 -0.762 1.00 0.00 N ATOM 249 CA ASP A 17 14.436 1.147 -2.152 1.00 0.00 C ATOM 250 C ASP A 17 14.957 2.581 -2.273 1.00 0.00 C ATOM 251 O ASP A 17 14.193 3.536 -2.141 1.00 0.00 O ATOM 252 CB ASP A 17 13.193 1.020 -3.035 1.00 0.00 C ATOM 253 CG ASP A 17 12.230 2.207 -2.971 1.00 0.00 C ATOM 254 OD1 ASP A 17 12.408 3.212 -3.676 1.00 0.00 O ATOM 255 OD2 ASP A 17 11.250 2.071 -2.144 1.00 0.00 O ATOM 0 H ASP A 17 14.549 0.017 -0.392 1.00 0.00 H new ATOM 0 HA ASP A 17 15.186 0.427 -2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.512 0.886 -4.069 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.653 0.118 -2.749 1.00 0.00 H new ATOM 261 N ILE A 18 16.254 2.687 -2.523 1.00 0.00 N ATOM 262 CA ILE A 18 16.885 3.988 -2.663 1.00 0.00 C ATOM 263 C ILE A 18 17.377 4.159 -4.102 1.00 0.00 C ATOM 264 O ILE A 18 18.089 5.114 -4.409 1.00 0.00 O ATOM 265 CB ILE A 18 17.983 4.167 -1.613 1.00 0.00 C ATOM 266 CG1 ILE A 18 19.024 3.050 -1.712 1.00 0.00 C ATOM 267 CG2 ILE A 18 17.386 4.270 -0.208 1.00 0.00 C ATOM 268 CD1 ILE A 18 20.017 3.326 -2.843 1.00 0.00 C ATOM 0 H ILE A 18 16.885 1.893 -2.632 1.00 0.00 H new ATOM 0 HA ILE A 18 16.164 4.783 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 18 18.498 5.106 -1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 18 19.559 2.962 -0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 18 18.525 2.097 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.188 4.397 0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 18 16.714 5.127 -0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 18 16.831 3.360 0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 18 20.746 2.517 -2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 18 19.481 3.390 -3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 18 20.532 4.268 -2.653 1.00 0.00 H new ATOM 280 N SER A 19 16.977 3.219 -4.946 1.00 0.00 N ATOM 281 CA SER A 19 17.368 3.254 -6.345 1.00 0.00 C ATOM 282 C SER A 19 18.820 2.795 -6.494 1.00 0.00 C ATOM 283 O SER A 19 19.746 3.547 -6.196 1.00 0.00 O ATOM 284 CB SER A 19 17.192 4.657 -6.931 1.00 0.00 C ATOM 285 OG SER A 19 16.285 4.666 -8.029 1.00 0.00 O ATOM 0 H SER A 19 16.386 2.429 -4.688 1.00 0.00 H new ATOM 0 HA SER A 19 16.720 2.574 -6.899 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.829 5.331 -6.155 1.00 0.00 H new ATOM 0 HB3 SER A 19 18.160 5.038 -7.257 1.00 0.00 H new ATOM 0 HG SER A 19 16.198 5.579 -8.374 1.00 0.00 H new ATOM 291 N ARG A 20 18.972 1.562 -6.955 1.00 0.00 N ATOM 292 CA ARG A 20 20.295 0.993 -7.147 1.00 0.00 C ATOM 293 C ARG A 20 21.302 2.094 -7.486 1.00 0.00 C ATOM 294 O ARG A 20 22.167 2.421 -6.674 1.00 0.00 O ATOM 295 CB ARG A 20 20.290 -0.047 -8.269 1.00 0.00 C ATOM 296 CG ARG A 20 21.696 -0.600 -8.511 1.00 0.00 C ATOM 297 CD ARG A 20 21.982 -0.736 -10.007 1.00 0.00 C ATOM 298 NE ARG A 20 21.857 -2.152 -10.420 1.00 0.00 N ATOM 299 CZ ARG A 20 20.679 -2.779 -10.625 1.00 0.00 C ATOM 300 NH1 ARG A 20 19.513 -2.120 -10.457 1.00 0.00 N ATOM 301 NH2 ARG A 20 20.685 -4.047 -10.992 1.00 0.00 N ATOM 0 H ARG A 20 18.201 0.941 -7.201 1.00 0.00 H new ATOM 0 HA ARG A 20 20.584 0.505 -6.216 1.00 0.00 H new ATOM 0 HB2 ARG A 20 19.614 -0.862 -8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 20 19.910 0.404 -9.186 1.00 0.00 H new ATOM 0 HG2 ARG A 20 22.434 0.060 -8.055 1.00 0.00 H new ATOM 0 HG3 ARG A 20 21.796 -1.572 -8.028 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.286 -0.120 -10.576 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.985 -0.371 -10.228 1.00 0.00 H new ATOM 0 HE ARG A 20 22.714 -2.687 -10.558 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.517 -1.140 -10.173 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.628 -2.602 -10.614 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.570 -4.538 -11.116 1.00 0.00 H new ATOM 0 HH22 ARG A 20 19.804 -4.536 -11.151 1.00 0.00 H new ATOM 315 N GLU A 21 21.157 2.636 -8.686 1.00 0.00 N ATOM 316 CA GLU A 21 22.043 3.693 -9.142 1.00 0.00 C ATOM 317 C GLU A 21 22.403 4.622 -7.981 1.00 0.00 C ATOM 318 O GLU A 21 23.577 4.785 -7.653 1.00 0.00 O ATOM 319 CB GLU A 21 21.413 4.476 -10.296 1.00 0.00 C ATOM 320 CG GLU A 21 21.090 3.554 -11.473 1.00 0.00 C ATOM 321 CD GLU A 21 22.024 3.825 -12.654 1.00 0.00 C ATOM 322 OE1 GLU A 21 22.491 4.961 -12.828 1.00 0.00 O ATOM 323 OE2 GLU A 21 22.262 2.805 -13.407 1.00 0.00 O ATOM 0 H GLU A 21 20.439 2.363 -9.357 1.00 0.00 H new ATOM 0 HA GLU A 21 22.960 3.237 -9.514 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.502 4.966 -9.953 1.00 0.00 H new ATOM 0 HB3 GLU A 21 22.094 5.262 -10.622 1.00 0.00 H new ATOM 0 HG2 GLU A 21 21.184 2.514 -11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 21 20.055 3.702 -11.782 1.00 0.00 H new ATOM 331 N GLU A 22 21.371 5.207 -7.391 1.00 0.00 N ATOM 332 CA GLU A 22 21.563 6.115 -6.273 1.00 0.00 C ATOM 333 C GLU A 22 22.556 5.521 -5.272 1.00 0.00 C ATOM 334 O GLU A 22 23.465 6.210 -4.810 1.00 0.00 O ATOM 335 CB GLU A 22 20.231 6.441 -5.596 1.00 0.00 C ATOM 336 CG GLU A 22 20.159 7.921 -5.213 1.00 0.00 C ATOM 337 CD GLU A 22 19.645 8.766 -6.380 1.00 0.00 C ATOM 338 OE1 GLU A 22 19.641 8.298 -7.529 1.00 0.00 O ATOM 339 OE2 GLU A 22 19.239 9.948 -6.061 1.00 0.00 O ATOM 0 H GLU A 22 20.399 5.070 -7.666 1.00 0.00 H new ATOM 0 HA GLU A 22 21.976 7.048 -6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.408 6.195 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.111 5.825 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.502 8.046 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.147 8.271 -4.913 1.00 0.00 H new ATOM 347 N VAL A 23 22.349 4.249 -4.966 1.00 0.00 N ATOM 348 CA VAL A 23 23.215 3.554 -4.028 1.00 0.00 C ATOM 349 C VAL A 23 24.676 3.798 -4.412 1.00 0.00 C ATOM 350 O VAL A 23 25.559 3.773 -3.556 1.00 0.00 O ATOM 351 CB VAL A 23 22.849 2.069 -3.979 1.00 0.00 C ATOM 352 CG1 VAL A 23 23.718 1.259 -4.942 1.00 0.00 C ATOM 353 CG2 VAL A 23 22.957 1.525 -2.553 1.00 0.00 C ATOM 0 H VAL A 23 21.594 3.681 -5.351 1.00 0.00 H new ATOM 0 HA VAL A 23 23.075 3.943 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 23 21.812 1.968 -4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 23 23.438 0.207 -4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 23 23.570 1.622 -5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 23 24.767 1.370 -4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 23 22.692 0.468 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 23 23.979 1.645 -2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 23 22.277 2.074 -1.902 1.00 0.00 H new ATOM 363 N ASN A 24 24.885 4.028 -5.700 1.00 0.00 N ATOM 364 CA ASN A 24 26.223 4.275 -6.208 1.00 0.00 C ATOM 365 C ASN A 24 26.636 5.709 -5.868 1.00 0.00 C ATOM 366 O ASN A 24 27.811 5.979 -5.623 1.00 0.00 O ATOM 367 CB ASN A 24 26.273 4.117 -7.729 1.00 0.00 C ATOM 368 CG ASN A 24 27.710 3.914 -8.213 1.00 0.00 C ATOM 369 OD1 ASN A 24 28.554 4.790 -8.118 1.00 0.00 O ATOM 370 ND2 ASN A 24 27.941 2.713 -8.736 1.00 0.00 N ATOM 0 H ASN A 24 24.150 4.048 -6.407 1.00 0.00 H new ATOM 0 HA ASN A 24 26.897 3.552 -5.748 1.00 0.00 H new ATOM 0 HB2 ASN A 24 25.661 3.267 -8.030 1.00 0.00 H new ATOM 0 HB3 ASN A 24 25.847 5.001 -8.204 1.00 0.00 H new ATOM 0 HD21 ASN A 24 28.870 2.480 -9.088 1.00 0.00 H new ATOM 0 HD22 ASN A 24 27.189 2.025 -8.785 1.00 0.00 H new ATOM 377 N GLU A 25 25.647 6.590 -5.864 1.00 0.00 N ATOM 378 CA GLU A 25 25.893 7.989 -5.557 1.00 0.00 C ATOM 379 C GLU A 25 25.410 8.316 -4.143 1.00 0.00 C ATOM 380 O GLU A 25 25.235 9.483 -3.797 1.00 0.00 O ATOM 381 CB GLU A 25 25.226 8.902 -6.589 1.00 0.00 C ATOM 382 CG GLU A 25 23.783 9.217 -6.190 1.00 0.00 C ATOM 383 CD GLU A 25 22.975 9.704 -7.395 1.00 0.00 C ATOM 384 OE1 GLU A 25 22.433 10.819 -7.368 1.00 0.00 O ATOM 385 OE2 GLU A 25 22.923 8.879 -8.385 1.00 0.00 O ATOM 0 H GLU A 25 24.674 6.363 -6.068 1.00 0.00 H new ATOM 0 HA GLU A 25 26.967 8.167 -5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 25 25.793 9.829 -6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 25 25.240 8.422 -7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 25 23.315 8.327 -5.770 1.00 0.00 H new ATOM 0 HG3 GLU A 25 23.775 9.979 -5.411 1.00 0.00 H new ATOM 393 N LYS A 26 25.207 7.264 -3.363 1.00 0.00 N ATOM 394 CA LYS A 26 24.748 7.424 -1.994 1.00 0.00 C ATOM 395 C LYS A 26 25.880 7.053 -1.034 1.00 0.00 C ATOM 396 O LYS A 26 26.234 7.836 -0.155 1.00 0.00 O ATOM 397 CB LYS A 26 23.461 6.629 -1.765 1.00 0.00 C ATOM 398 CG LYS A 26 22.227 7.497 -2.020 1.00 0.00 C ATOM 399 CD LYS A 26 20.941 6.690 -1.833 1.00 0.00 C ATOM 400 CE LYS A 26 19.914 7.476 -1.015 1.00 0.00 C ATOM 401 NZ LYS A 26 19.694 8.814 -1.608 1.00 0.00 N ATOM 0 H LYS A 26 25.352 6.297 -3.654 1.00 0.00 H new ATOM 0 HA LYS A 26 24.492 8.465 -1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 26 23.443 5.762 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 26 23.440 6.252 -0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 26 22.229 8.348 -1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 26 22.264 7.900 -3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 26 20.520 6.439 -2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 26 21.168 5.749 -1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.972 6.928 -0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 26 20.261 7.580 0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.680 9.044 -1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 20.227 9.525 -1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 20.020 8.814 -2.596 1.00 0.00 H new ATOM 415 N LEU A 27 26.416 5.858 -1.236 1.00 0.00 N ATOM 416 CA LEU A 27 27.500 5.373 -0.399 1.00 0.00 C ATOM 417 C LEU A 27 28.600 4.787 -1.286 1.00 0.00 C ATOM 418 O LEU A 27 29.075 3.679 -1.042 1.00 0.00 O ATOM 419 CB LEU A 27 26.970 4.394 0.651 1.00 0.00 C ATOM 420 CG LEU A 27 25.745 3.573 0.244 1.00 0.00 C ATOM 421 CD1 LEU A 27 26.107 2.544 -0.829 1.00 0.00 C ATOM 422 CD2 LEU A 27 25.092 2.922 1.465 1.00 0.00 C ATOM 0 H LEU A 27 26.120 5.212 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 27 27.945 6.195 0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 27 27.773 3.706 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 27 26.723 4.956 1.552 1.00 0.00 H new ATOM 0 HG LEU A 27 25.010 4.249 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 27 25.219 1.974 -1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 27 26.492 3.057 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 27 26.868 1.867 -0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 27 24.224 2.344 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 27 25.809 2.262 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 27 24.777 3.696 2.165 1.00 0.00 H new ATOM 434 N ARG A 28 28.974 5.558 -2.297 1.00 0.00 N ATOM 435 CA ARG A 28 30.010 5.129 -3.222 1.00 0.00 C ATOM 436 C ARG A 28 31.183 4.514 -2.456 1.00 0.00 C ATOM 437 O ARG A 28 31.779 3.537 -2.907 1.00 0.00 O ATOM 438 CB ARG A 28 30.517 6.302 -4.063 1.00 0.00 C ATOM 439 CG ARG A 28 31.760 5.907 -4.862 1.00 0.00 C ATOM 440 CD ARG A 28 31.477 4.697 -5.754 1.00 0.00 C ATOM 441 NE ARG A 28 32.572 4.523 -6.735 1.00 0.00 N ATOM 442 CZ ARG A 28 32.808 5.366 -7.763 1.00 0.00 C ATOM 443 NH1 ARG A 28 32.026 6.451 -7.953 1.00 0.00 N ATOM 444 NH2 ARG A 28 33.814 5.115 -8.579 1.00 0.00 N ATOM 0 H ARG A 28 28.578 6.477 -2.496 1.00 0.00 H new ATOM 0 HA ARG A 28 29.574 4.383 -3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 28 29.732 6.632 -4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 28 30.751 7.146 -3.413 1.00 0.00 H new ATOM 0 HG2 ARG A 28 32.085 6.747 -5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 28 32.578 5.676 -4.179 1.00 0.00 H new ATOM 0 HD2 ARG A 28 31.379 3.800 -5.143 1.00 0.00 H new ATOM 0 HD3 ARG A 28 30.529 4.833 -6.275 1.00 0.00 H new ATOM 0 HE ARG A 28 33.186 3.716 -6.628 1.00 0.00 H new ATOM 0 HH11 ARG A 28 31.251 6.638 -7.317 1.00 0.00 H new ATOM 0 HH12 ARG A 28 32.211 7.083 -8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 28 34.400 4.294 -8.428 1.00 0.00 H new ATOM 0 HH22 ARG A 28 34.006 5.742 -9.360 1.00 0.00 H new ATOM 458 N ASP A 29 31.480 5.111 -1.311 1.00 0.00 N ATOM 459 CA ASP A 29 32.571 4.634 -0.479 1.00 0.00 C ATOM 460 C ASP A 29 32.745 5.575 0.714 1.00 0.00 C ATOM 461 O ASP A 29 33.869 5.872 1.117 1.00 0.00 O ATOM 462 CB ASP A 29 33.887 4.610 -1.258 1.00 0.00 C ATOM 463 CG ASP A 29 34.785 3.404 -0.974 1.00 0.00 C ATOM 464 OD1 ASP A 29 34.371 2.247 -1.142 1.00 0.00 O ATOM 465 OD2 ASP A 29 35.971 3.693 -0.558 1.00 0.00 O ATOM 0 H ASP A 29 30.984 5.921 -0.940 1.00 0.00 H new ATOM 0 HA ASP A 29 32.328 3.624 -0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 29 33.661 4.633 -2.324 1.00 0.00 H new ATOM 0 HB3 ASP A 29 34.443 5.520 -1.031 1.00 0.00 H new ATOM 471 N THR A 30 31.616 6.019 1.247 1.00 0.00 N ATOM 472 CA THR A 30 31.630 6.920 2.387 1.00 0.00 C ATOM 473 C THR A 30 32.425 6.307 3.542 1.00 0.00 C ATOM 474 O THR A 30 33.571 6.683 3.780 1.00 0.00 O ATOM 475 CB THR A 30 30.180 7.244 2.751 1.00 0.00 C ATOM 476 OG1 THR A 30 30.239 7.598 4.130 1.00 0.00 O ATOM 477 CG2 THR A 30 29.279 6.008 2.722 1.00 0.00 C ATOM 0 H THR A 30 30.685 5.772 0.910 1.00 0.00 H new ATOM 0 HA THR A 30 32.136 7.855 2.146 1.00 0.00 H new ATOM 0 HB THR A 30 29.791 7.993 2.061 1.00 0.00 H new ATOM 0 HG1 THR A 30 29.808 6.899 4.666 1.00 0.00 H new ATOM 0 HG21 THR A 30 28.261 6.293 2.988 1.00 0.00 H new ATOM 0 HG22 THR A 30 29.285 5.577 1.721 1.00 0.00 H new ATOM 0 HG23 THR A 30 29.648 5.272 3.437 1.00 0.00 H new ATOM 485 N ALA A 31 31.783 5.374 4.229 1.00 0.00 N ATOM 486 CA ALA A 31 32.416 4.705 5.354 1.00 0.00 C ATOM 487 C ALA A 31 31.564 3.505 5.772 1.00 0.00 C ATOM 488 O ALA A 31 30.431 3.355 5.319 1.00 0.00 O ATOM 489 CB ALA A 31 32.616 5.704 6.495 1.00 0.00 C ATOM 0 H ALA A 31 30.832 5.065 4.029 1.00 0.00 H new ATOM 0 HA ALA A 31 33.400 4.329 5.074 1.00 0.00 H new ATOM 0 HB1 ALA A 31 33.091 5.203 7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.251 6.522 6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 31 31.649 6.100 6.805 1.00 0.00 H new ATOM 495 N ASP A 32 32.143 2.680 6.633 1.00 0.00 N ATOM 496 CA ASP A 32 31.452 1.498 7.117 1.00 0.00 C ATOM 497 C ASP A 32 30.276 1.925 7.998 1.00 0.00 C ATOM 498 O ASP A 32 30.192 3.081 8.409 1.00 0.00 O ATOM 499 CB ASP A 32 32.381 0.623 7.961 1.00 0.00 C ATOM 500 CG ASP A 32 33.333 1.391 8.881 1.00 0.00 C ATOM 501 OD1 ASP A 32 34.304 2.010 8.421 1.00 0.00 O ATOM 502 OD2 ASP A 32 33.042 1.336 10.136 1.00 0.00 O ATOM 0 H ASP A 32 33.083 2.808 7.007 1.00 0.00 H new ATOM 0 HA ASP A 32 31.109 0.930 6.252 1.00 0.00 H new ATOM 0 HB2 ASP A 32 31.772 -0.046 8.570 1.00 0.00 H new ATOM 0 HB3 ASP A 32 32.972 -0.003 7.293 1.00 0.00 H new ATOM 508 N GLY A 33 29.397 0.969 8.262 1.00 0.00 N ATOM 509 CA GLY A 33 28.230 1.232 9.086 1.00 0.00 C ATOM 510 C GLY A 33 27.198 2.066 8.325 1.00 0.00 C ATOM 511 O GLY A 33 26.134 2.380 8.857 1.00 0.00 O ATOM 0 H GLY A 33 29.470 0.011 7.919 1.00 0.00 H new ATOM 0 HA2 GLY A 33 27.781 0.289 9.399 1.00 0.00 H new ATOM 0 HA3 GLY A 33 28.531 1.758 9.992 1.00 0.00 H new ATOM 515 N THR A 34 27.548 2.402 7.092 1.00 0.00 N ATOM 516 CA THR A 34 26.666 3.194 6.252 1.00 0.00 C ATOM 517 C THR A 34 25.614 2.300 5.592 1.00 0.00 C ATOM 518 O THR A 34 25.359 2.416 4.395 1.00 0.00 O ATOM 519 CB THR A 34 27.529 3.959 5.248 1.00 0.00 C ATOM 520 OG1 THR A 34 26.595 4.750 4.518 1.00 0.00 O ATOM 521 CG2 THR A 34 28.149 3.043 4.191 1.00 0.00 C ATOM 0 H THR A 34 28.431 2.140 6.654 1.00 0.00 H new ATOM 0 HA THR A 34 26.107 3.921 6.841 1.00 0.00 H new ATOM 0 HB THR A 34 28.321 4.488 5.779 1.00 0.00 H new ATOM 0 HG1 THR A 34 26.814 5.699 4.627 1.00 0.00 H new ATOM 0 HG21 THR A 34 28.752 3.637 3.503 1.00 0.00 H new ATOM 0 HG22 THR A 34 28.780 2.300 4.678 1.00 0.00 H new ATOM 0 HG23 THR A 34 27.357 2.539 3.637 1.00 0.00 H new ATOM 529 N PHE A 35 25.032 1.427 6.403 1.00 0.00 N ATOM 530 CA PHE A 35 24.014 0.514 5.912 1.00 0.00 C ATOM 531 C PHE A 35 23.036 1.233 4.980 1.00 0.00 C ATOM 532 O PHE A 35 22.977 2.461 4.964 1.00 0.00 O ATOM 533 CB PHE A 35 23.251 -0.002 7.133 1.00 0.00 C ATOM 534 CG PHE A 35 23.895 -1.219 7.801 1.00 0.00 C ATOM 535 CD1 PHE A 35 25.247 -1.289 7.926 1.00 0.00 C ATOM 536 CD2 PHE A 35 23.115 -2.229 8.271 1.00 0.00 C ATOM 537 CE1 PHE A 35 25.845 -2.418 8.546 1.00 0.00 C ATOM 538 CE2 PHE A 35 23.713 -3.358 8.891 1.00 0.00 C ATOM 539 CZ PHE A 35 25.065 -3.429 9.015 1.00 0.00 C ATOM 0 H PHE A 35 25.246 1.333 7.396 1.00 0.00 H new ATOM 0 HA PHE A 35 24.480 -0.296 5.351 1.00 0.00 H new ATOM 0 HB2 PHE A 35 23.171 0.802 7.865 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.236 -0.261 6.832 1.00 0.00 H new ATOM 0 HD1 PHE A 35 25.866 -0.486 7.554 1.00 0.00 H new ATOM 0 HD2 PHE A 35 22.041 -2.172 8.173 1.00 0.00 H new ATOM 0 HE1 PHE A 35 26.919 -2.474 8.645 1.00 0.00 H new ATOM 0 HE2 PHE A 35 23.094 -4.160 9.264 1.00 0.00 H new ATOM 0 HZ PHE A 35 25.520 -4.288 9.486 1.00 0.00 H new ATOM 549 N LEU A 36 22.293 0.436 4.227 1.00 0.00 N ATOM 550 CA LEU A 36 21.320 0.980 3.295 1.00 0.00 C ATOM 551 C LEU A 36 20.653 -0.167 2.532 1.00 0.00 C ATOM 552 O LEU A 36 21.226 -1.248 2.404 1.00 0.00 O ATOM 553 CB LEU A 36 21.974 2.024 2.387 1.00 0.00 C ATOM 554 CG LEU A 36 21.138 2.493 1.194 1.00 0.00 C ATOM 555 CD1 LEU A 36 19.809 3.092 1.658 1.00 0.00 C ATOM 556 CD2 LEU A 36 21.931 3.465 0.318 1.00 0.00 C ATOM 0 H LEU A 36 22.345 -0.583 4.243 1.00 0.00 H new ATOM 0 HA LEU A 36 20.531 1.507 3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 36 22.228 2.894 2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 36 22.911 1.613 2.010 1.00 0.00 H new ATOM 0 HG LEU A 36 20.902 1.625 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 36 19.234 3.417 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 36 19.243 2.340 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 36 20.002 3.946 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 36 21.314 3.783 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 36 22.217 4.336 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 36 22.827 2.970 -0.056 1.00 0.00 H new ATOM 568 N VAL A 37 19.452 0.108 2.046 1.00 0.00 N ATOM 569 CA VAL A 37 18.701 -0.887 1.299 1.00 0.00 C ATOM 570 C VAL A 37 18.222 -0.276 -0.019 1.00 0.00 C ATOM 571 O VAL A 37 18.002 0.931 -0.104 1.00 0.00 O ATOM 572 CB VAL A 37 17.557 -1.431 2.157 1.00 0.00 C ATOM 573 CG1 VAL A 37 16.491 -2.101 1.288 1.00 0.00 C ATOM 574 CG2 VAL A 37 18.081 -2.395 3.223 1.00 0.00 C ATOM 0 H VAL A 37 18.980 1.006 2.155 1.00 0.00 H new ATOM 0 HA VAL A 37 19.336 -1.737 1.050 1.00 0.00 H new ATOM 0 HB VAL A 37 17.092 -0.588 2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.689 -2.479 1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 37 16.085 -1.374 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 37 16.938 -2.928 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.247 -2.767 3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 37 18.584 -3.233 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 37 18.785 -1.873 3.871 1.00 0.00 H new ATOM 584 N ARG A 38 18.075 -1.137 -1.015 1.00 0.00 N ATOM 585 CA ARG A 38 17.626 -0.697 -2.325 1.00 0.00 C ATOM 586 C ARG A 38 16.598 -1.678 -2.891 1.00 0.00 C ATOM 587 O ARG A 38 15.572 -1.266 -3.430 1.00 0.00 O ATOM 588 CB ARG A 38 18.800 -0.581 -3.299 1.00 0.00 C ATOM 589 CG ARG A 38 19.662 -1.845 -3.272 1.00 0.00 C ATOM 590 CD ARG A 38 21.151 -1.494 -3.280 1.00 0.00 C ATOM 591 NE ARG A 38 21.892 -2.449 -4.135 1.00 0.00 N ATOM 592 CZ ARG A 38 21.622 -2.664 -5.440 1.00 0.00 C ATOM 593 NH1 ARG A 38 20.625 -1.991 -6.053 1.00 0.00 N ATOM 594 NH2 ARG A 38 22.348 -3.541 -6.107 1.00 0.00 N ATOM 0 H ARG A 38 18.259 -2.138 -0.941 1.00 0.00 H new ATOM 0 HA ARG A 38 17.169 0.285 -2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 38 18.424 -0.414 -4.309 1.00 0.00 H new ATOM 0 HB3 ARG A 38 19.409 0.285 -3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.428 -2.430 -2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.427 -2.468 -4.135 1.00 0.00 H new ATOM 0 HD2 ARG A 38 21.292 -0.478 -3.649 1.00 0.00 H new ATOM 0 HD3 ARG A 38 21.545 -1.521 -2.264 1.00 0.00 H new ATOM 0 HE ARG A 38 22.654 -2.978 -3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 38 20.069 -1.314 -5.530 1.00 0.00 H new ATOM 0 HH12 ARG A 38 20.427 -2.159 -7.039 1.00 0.00 H new ATOM 0 HH21 ARG A 38 23.100 -4.044 -5.636 1.00 0.00 H new ATOM 0 HH22 ARG A 38 22.157 -3.716 -7.094 1.00 0.00 H new ATOM 608 N ASP A 39 16.908 -2.959 -2.749 1.00 0.00 N ATOM 609 CA ASP A 39 16.024 -4.002 -3.240 1.00 0.00 C ATOM 610 C ASP A 39 15.784 -3.799 -4.737 1.00 0.00 C ATOM 611 O ASP A 39 15.755 -2.667 -5.217 1.00 0.00 O ATOM 612 CB ASP A 39 14.668 -3.951 -2.533 1.00 0.00 C ATOM 613 CG ASP A 39 13.509 -4.578 -3.312 1.00 0.00 C ATOM 614 OD1 ASP A 39 12.967 -3.971 -4.248 1.00 0.00 O ATOM 615 OD2 ASP A 39 13.160 -5.755 -2.917 1.00 0.00 O ATOM 0 H ASP A 39 17.759 -3.298 -2.301 1.00 0.00 H new ATOM 0 HA ASP A 39 16.497 -4.964 -3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.757 -4.458 -1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.424 -2.910 -2.323 1.00 0.00 H new ATOM 621 N ALA A 40 15.619 -4.914 -5.434 1.00 0.00 N ATOM 622 CA ALA A 40 15.384 -4.873 -6.867 1.00 0.00 C ATOM 623 C ALA A 40 15.169 -6.296 -7.385 1.00 0.00 C ATOM 624 O ALA A 40 14.492 -7.099 -6.743 1.00 0.00 O ATOM 625 CB ALA A 40 16.555 -4.172 -7.557 1.00 0.00 C ATOM 0 H ALA A 40 15.643 -5.851 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 40 14.484 -4.301 -7.092 1.00 0.00 H new ATOM 0 HB1 ALA A 40 16.378 -4.141 -8.632 1.00 0.00 H new ATOM 0 HB2 ALA A 40 16.646 -3.155 -7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 40 17.476 -4.719 -7.356 1.00 0.00 H new ATOM 631 N SER A 41 15.757 -6.566 -8.541 1.00 0.00 N ATOM 632 CA SER A 41 15.638 -7.879 -9.153 1.00 0.00 C ATOM 633 C SER A 41 15.660 -8.963 -8.074 1.00 0.00 C ATOM 634 O SER A 41 14.657 -9.638 -7.846 1.00 0.00 O ATOM 635 CB SER A 41 16.758 -8.117 -10.168 1.00 0.00 C ATOM 636 OG SER A 41 18.039 -7.789 -9.636 1.00 0.00 O ATOM 0 H SER A 41 16.317 -5.898 -9.070 1.00 0.00 H new ATOM 0 HA SER A 41 14.687 -7.924 -9.685 1.00 0.00 H new ATOM 0 HB2 SER A 41 16.751 -9.162 -10.478 1.00 0.00 H new ATOM 0 HB3 SER A 41 16.572 -7.519 -11.060 1.00 0.00 H new ATOM 0 HG SER A 41 18.153 -6.816 -9.634 1.00 0.00 H new ATOM 642 N THR A 42 16.814 -9.096 -7.437 1.00 0.00 N ATOM 643 CA THR A 42 16.980 -10.087 -6.387 1.00 0.00 C ATOM 644 C THR A 42 15.907 -9.909 -5.312 1.00 0.00 C ATOM 645 O THR A 42 16.112 -9.185 -4.339 1.00 0.00 O ATOM 646 CB THR A 42 18.407 -9.969 -5.847 1.00 0.00 C ATOM 647 OG1 THR A 42 18.484 -8.633 -5.359 1.00 0.00 O ATOM 648 CG2 THR A 42 19.459 -10.022 -6.957 1.00 0.00 C ATOM 0 H THR A 42 17.643 -8.534 -7.628 1.00 0.00 H new ATOM 0 HA THR A 42 16.845 -11.098 -6.772 1.00 0.00 H new ATOM 0 HB THR A 42 18.592 -10.771 -5.133 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.694 -8.438 -4.814 1.00 0.00 H new ATOM 0 HG21 THR A 42 20.454 -9.934 -6.520 1.00 0.00 H new ATOM 0 HG22 THR A 42 19.379 -10.970 -7.489 1.00 0.00 H new ATOM 0 HG23 THR A 42 19.295 -9.200 -7.654 1.00 0.00 H new ATOM 656 N LYS A 43 14.785 -10.582 -5.523 1.00 0.00 N ATOM 657 CA LYS A 43 13.679 -10.507 -4.584 1.00 0.00 C ATOM 658 C LYS A 43 13.394 -11.903 -4.027 1.00 0.00 C ATOM 659 O LYS A 43 13.365 -12.097 -2.812 1.00 0.00 O ATOM 660 CB LYS A 43 12.464 -9.846 -5.238 1.00 0.00 C ATOM 661 CG LYS A 43 11.812 -8.838 -4.290 1.00 0.00 C ATOM 662 CD LYS A 43 10.630 -8.138 -4.964 1.00 0.00 C ATOM 663 CE LYS A 43 11.113 -7.046 -5.921 1.00 0.00 C ATOM 664 NZ LYS A 43 10.007 -6.599 -6.798 1.00 0.00 N ATOM 0 H LYS A 43 14.618 -11.182 -6.331 1.00 0.00 H new ATOM 0 HA LYS A 43 13.940 -9.872 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.769 -9.343 -6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.738 -10.609 -5.519 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.472 -9.348 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.548 -8.097 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.034 -8.868 -5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.981 -7.701 -4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.498 -6.200 -5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.936 -7.424 -6.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.352 -5.858 -7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.658 -7.405 -7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.234 -6.219 -6.215 1.00 0.00 H new ATOM 678 N MET A 44 13.191 -12.840 -4.941 1.00 0.00 N ATOM 679 CA MET A 44 12.909 -14.213 -4.556 1.00 0.00 C ATOM 680 C MET A 44 13.927 -14.714 -3.530 1.00 0.00 C ATOM 681 O MET A 44 13.552 -15.178 -2.454 1.00 0.00 O ATOM 682 CB MET A 44 12.949 -15.109 -5.795 1.00 0.00 C ATOM 683 CG MET A 44 11.634 -15.873 -5.963 1.00 0.00 C ATOM 684 SD MET A 44 10.980 -15.610 -7.603 1.00 0.00 S ATOM 685 CE MET A 44 11.181 -17.248 -8.282 1.00 0.00 C ATOM 0 H MET A 44 13.216 -12.676 -5.947 1.00 0.00 H new ATOM 0 HA MET A 44 11.918 -14.248 -4.104 1.00 0.00 H new ATOM 0 HB2 MET A 44 13.137 -14.502 -6.681 1.00 0.00 H new ATOM 0 HB3 MET A 44 13.775 -15.815 -5.711 1.00 0.00 H new ATOM 0 HG2 MET A 44 11.798 -16.937 -5.794 1.00 0.00 H new ATOM 0 HG3 MET A 44 10.912 -15.540 -5.217 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.819 -17.263 -9.310 1.00 0.00 H new ATOM 0 HE2 MET A 44 12.236 -17.522 -8.264 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.611 -17.961 -7.687 1.00 0.00 H new ATOM 695 N HIS A 45 15.194 -14.605 -3.898 1.00 0.00 N ATOM 696 CA HIS A 45 16.269 -15.041 -3.023 1.00 0.00 C ATOM 697 C HIS A 45 16.898 -13.827 -2.338 1.00 0.00 C ATOM 698 O HIS A 45 18.024 -13.446 -2.653 1.00 0.00 O ATOM 699 CB HIS A 45 17.289 -15.883 -3.793 1.00 0.00 C ATOM 700 CG HIS A 45 17.180 -17.367 -3.536 1.00 0.00 C ATOM 701 ND1 HIS A 45 18.249 -18.234 -3.686 1.00 0.00 N ATOM 702 CD2 HIS A 45 16.121 -18.127 -3.136 1.00 0.00 C ATOM 703 CE1 HIS A 45 17.839 -19.458 -3.389 1.00 0.00 C ATOM 704 NE2 HIS A 45 16.520 -19.390 -3.049 1.00 0.00 N ATOM 0 H HIS A 45 15.501 -14.221 -4.791 1.00 0.00 H new ATOM 0 HA HIS A 45 15.868 -15.687 -2.242 1.00 0.00 H new ATOM 0 HB2 HIS A 45 17.165 -15.699 -4.860 1.00 0.00 H new ATOM 0 HB3 HIS A 45 18.293 -15.552 -3.527 1.00 0.00 H new ATOM 0 HD2 HIS A 45 15.126 -17.763 -2.926 1.00 0.00 H new ATOM 0 HE1 HIS A 45 18.443 -20.353 -3.412 1.00 0.00 H new ATOM 0 HE2 HIS A 45 15.936 -20.180 -2.773 1.00 0.00 H new ATOM 712 N GLY A 46 16.143 -13.253 -1.413 1.00 0.00 N ATOM 713 CA GLY A 46 16.613 -12.089 -0.680 1.00 0.00 C ATOM 714 C GLY A 46 15.457 -11.388 0.036 1.00 0.00 C ATOM 715 O GLY A 46 14.330 -11.380 -0.458 1.00 0.00 O ATOM 0 H GLY A 46 15.209 -13.572 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.365 -12.393 0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.096 -11.393 -1.366 1.00 0.00 H new ATOM 719 N ASP A 47 15.775 -10.817 1.188 1.00 0.00 N ATOM 720 CA ASP A 47 14.777 -10.116 1.977 1.00 0.00 C ATOM 721 C ASP A 47 14.503 -8.749 1.346 1.00 0.00 C ATOM 722 O ASP A 47 13.404 -8.499 0.851 1.00 0.00 O ATOM 723 CB ASP A 47 15.267 -9.886 3.408 1.00 0.00 C ATOM 724 CG ASP A 47 14.171 -9.546 4.420 1.00 0.00 C ATOM 725 OD1 ASP A 47 13.588 -10.439 5.053 1.00 0.00 O ATOM 726 OD2 ASP A 47 13.919 -8.288 4.550 1.00 0.00 O ATOM 0 H ASP A 47 16.711 -10.826 1.594 1.00 0.00 H new ATOM 0 HA ASP A 47 13.875 -10.727 1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.788 -10.782 3.746 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.997 -9.077 3.400 1.00 0.00 H new ATOM 732 N TYR A 48 15.520 -7.901 1.383 1.00 0.00 N ATOM 733 CA TYR A 48 15.402 -6.566 0.821 1.00 0.00 C ATOM 734 C TYR A 48 16.780 -5.979 0.509 1.00 0.00 C ATOM 735 O TYR A 48 16.962 -4.763 0.540 1.00 0.00 O ATOM 736 CB TYR A 48 14.729 -5.713 1.898 1.00 0.00 C ATOM 737 CG TYR A 48 13.358 -5.167 1.493 1.00 0.00 C ATOM 738 CD1 TYR A 48 12.234 -5.957 1.625 1.00 0.00 C ATOM 739 CD2 TYR A 48 13.246 -3.885 0.995 1.00 0.00 C ATOM 740 CE1 TYR A 48 10.944 -5.443 1.244 1.00 0.00 C ATOM 741 CE2 TYR A 48 11.956 -3.371 0.613 1.00 0.00 C ATOM 742 CZ TYR A 48 10.869 -4.176 0.757 1.00 0.00 C ATOM 743 OH TYR A 48 9.650 -3.690 0.397 1.00 0.00 O ATOM 0 H TYR A 48 16.430 -8.112 1.793 1.00 0.00 H new ATOM 0 HA TYR A 48 14.834 -6.590 -0.109 1.00 0.00 H new ATOM 0 HB2 TYR A 48 14.618 -6.310 2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 48 15.383 -4.877 2.146 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.322 -6.961 2.014 1.00 0.00 H new ATOM 0 HD2 TYR A 48 14.126 -3.267 0.892 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.056 -6.050 1.343 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.854 -2.370 0.221 1.00 0.00 H new ATOM 0 HH TYR A 48 9.748 -2.772 0.068 1.00 0.00 H new ATOM 753 N THR A 49 17.715 -6.871 0.217 1.00 0.00 N ATOM 754 CA THR A 49 19.072 -6.456 -0.100 1.00 0.00 C ATOM 755 C THR A 49 19.576 -5.447 0.934 1.00 0.00 C ATOM 756 O THR A 49 18.884 -5.151 1.907 1.00 0.00 O ATOM 757 CB THR A 49 19.078 -5.915 -1.531 1.00 0.00 C ATOM 758 OG1 THR A 49 18.141 -6.740 -2.218 1.00 0.00 O ATOM 759 CG2 THR A 49 20.403 -6.178 -2.250 1.00 0.00 C ATOM 0 H THR A 49 17.560 -7.879 0.193 1.00 0.00 H new ATOM 0 HA THR A 49 19.765 -7.296 -0.052 1.00 0.00 H new ATOM 0 HB THR A 49 18.880 -4.843 -1.515 1.00 0.00 H new ATOM 0 HG1 THR A 49 18.081 -6.457 -3.154 1.00 0.00 H new ATOM 0 HG21 THR A 49 20.355 -5.774 -3.261 1.00 0.00 H new ATOM 0 HG22 THR A 49 21.215 -5.696 -1.705 1.00 0.00 H new ATOM 0 HG23 THR A 49 20.585 -7.252 -2.296 1.00 0.00 H new ATOM 767 N LEU A 50 20.778 -4.947 0.687 1.00 0.00 N ATOM 768 CA LEU A 50 21.383 -3.977 1.584 1.00 0.00 C ATOM 769 C LEU A 50 22.772 -3.603 1.062 1.00 0.00 C ATOM 770 O LEU A 50 23.475 -4.443 0.503 1.00 0.00 O ATOM 771 CB LEU A 50 21.387 -4.505 3.020 1.00 0.00 C ATOM 772 CG LEU A 50 22.737 -4.478 3.741 1.00 0.00 C ATOM 773 CD1 LEU A 50 23.033 -3.084 4.298 1.00 0.00 C ATOM 774 CD2 LEU A 50 22.801 -5.555 4.826 1.00 0.00 C ATOM 0 H LEU A 50 21.349 -5.195 -0.121 1.00 0.00 H new ATOM 0 HA LEU A 50 20.794 -3.060 1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 50 20.675 -3.921 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 50 21.024 -5.533 3.009 1.00 0.00 H new ATOM 0 HG LEU A 50 23.517 -4.707 3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.998 -3.092 4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.059 -2.364 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.253 -2.802 5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.770 -5.514 5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.011 -5.382 5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.667 -6.537 4.372 1.00 0.00 H new ATOM 786 N THR A 51 23.125 -2.342 1.264 1.00 0.00 N ATOM 787 CA THR A 51 24.417 -1.847 0.821 1.00 0.00 C ATOM 788 C THR A 51 25.195 -1.258 1.999 1.00 0.00 C ATOM 789 O THR A 51 24.688 -0.395 2.714 1.00 0.00 O ATOM 790 CB THR A 51 24.177 -0.845 -0.310 1.00 0.00 C ATOM 791 OG1 THR A 51 22.966 -0.190 0.058 1.00 0.00 O ATOM 792 CG2 THR A 51 23.842 -1.529 -1.637 1.00 0.00 C ATOM 0 H THR A 51 22.539 -1.648 1.728 1.00 0.00 H new ATOM 0 HA THR A 51 25.038 -2.655 0.433 1.00 0.00 H new ATOM 0 HB THR A 51 25.062 -0.221 -0.436 1.00 0.00 H new ATOM 0 HG1 THR A 51 22.215 -0.597 -0.422 1.00 0.00 H new ATOM 0 HG21 THR A 51 23.681 -0.773 -2.406 1.00 0.00 H new ATOM 0 HG22 THR A 51 24.668 -2.176 -1.932 1.00 0.00 H new ATOM 0 HG23 THR A 51 22.938 -2.126 -1.520 1.00 0.00 H new ATOM 800 N LEU A 52 26.415 -1.748 2.165 1.00 0.00 N ATOM 801 CA LEU A 52 27.268 -1.281 3.245 1.00 0.00 C ATOM 802 C LEU A 52 28.734 -1.452 2.841 1.00 0.00 C ATOM 803 O LEU A 52 29.045 -2.213 1.926 1.00 0.00 O ATOM 804 CB LEU A 52 26.906 -1.981 4.556 1.00 0.00 C ATOM 805 CG LEU A 52 28.083 -2.442 5.418 1.00 0.00 C ATOM 806 CD1 LEU A 52 28.415 -1.404 6.492 1.00 0.00 C ATOM 807 CD2 LEU A 52 27.815 -3.823 6.019 1.00 0.00 C ATOM 0 H LEU A 52 26.833 -2.463 1.570 1.00 0.00 H new ATOM 0 HA LEU A 52 27.108 -0.218 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 52 26.291 -1.304 5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 52 26.290 -2.850 4.323 1.00 0.00 H new ATOM 0 HG LEU A 52 28.960 -2.535 4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 52 29.255 -1.756 7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 52 28.679 -0.460 6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 52 27.548 -1.256 7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 52 28.667 -4.127 6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 52 26.921 -3.782 6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 52 27.665 -4.546 5.217 1.00 0.00 H new ATOM 819 N ARG A 53 29.596 -0.732 3.543 1.00 0.00 N ATOM 820 CA ARG A 53 31.022 -0.794 3.269 1.00 0.00 C ATOM 821 C ARG A 53 31.719 -1.697 4.289 1.00 0.00 C ATOM 822 O ARG A 53 31.694 -1.422 5.487 1.00 0.00 O ATOM 823 CB ARG A 53 31.654 0.598 3.316 1.00 0.00 C ATOM 824 CG ARG A 53 30.661 1.666 2.853 1.00 0.00 C ATOM 825 CD ARG A 53 30.685 1.814 1.330 1.00 0.00 C ATOM 826 NE ARG A 53 29.981 0.675 0.700 1.00 0.00 N ATOM 827 CZ ARG A 53 28.653 0.454 0.806 1.00 0.00 C ATOM 828 NH1 ARG A 53 27.873 1.293 1.520 1.00 0.00 N ATOM 829 NH2 ARG A 53 28.129 -0.596 0.201 1.00 0.00 N ATOM 0 H ARG A 53 29.335 -0.102 4.302 1.00 0.00 H new ATOM 0 HA ARG A 53 31.149 -1.204 2.267 1.00 0.00 H new ATOM 0 HB2 ARG A 53 31.983 0.818 4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 53 32.540 0.621 2.682 1.00 0.00 H new ATOM 0 HG2 ARG A 53 29.656 1.399 3.180 1.00 0.00 H new ATOM 0 HG3 ARG A 53 30.905 2.621 3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 53 30.210 2.751 1.040 1.00 0.00 H new ATOM 0 HD3 ARG A 53 31.715 1.856 0.977 1.00 0.00 H new ATOM 0 HE ARG A 53 30.533 0.016 0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 53 28.286 2.102 1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 53 26.871 1.118 1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 53 28.725 -1.225 -0.336 1.00 0.00 H new ATOM 0 HH22 ARG A 53 27.128 -0.778 0.271 1.00 0.00 H new ATOM 843 N LYS A 54 32.325 -2.758 3.775 1.00 0.00 N ATOM 844 CA LYS A 54 33.028 -3.703 4.626 1.00 0.00 C ATOM 845 C LYS A 54 34.377 -3.109 5.035 1.00 0.00 C ATOM 846 O LYS A 54 35.425 -3.689 4.757 1.00 0.00 O ATOM 847 CB LYS A 54 33.139 -5.064 3.937 1.00 0.00 C ATOM 848 CG LYS A 54 31.970 -5.972 4.323 1.00 0.00 C ATOM 849 CD LYS A 54 31.934 -6.205 5.835 1.00 0.00 C ATOM 850 CE LYS A 54 33.305 -6.641 6.356 1.00 0.00 C ATOM 851 NZ LYS A 54 34.220 -5.480 6.440 1.00 0.00 N ATOM 0 H LYS A 54 32.343 -2.984 2.780 1.00 0.00 H new ATOM 0 HA LYS A 54 32.466 -3.881 5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 54 33.156 -4.928 2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 54 34.080 -5.540 4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 54 31.032 -5.521 3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 54 32.061 -6.927 3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 54 31.623 -5.290 6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 54 31.192 -6.968 6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 54 33.198 -7.099 7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 54 33.728 -7.398 5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 34.690 -5.475 7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 34.936 -5.547 5.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 33.677 -4.601 6.323 1.00 0.00 H new ATOM 865 N GLY A 55 34.307 -1.959 5.690 1.00 0.00 N ATOM 866 CA GLY A 55 35.510 -1.280 6.141 1.00 0.00 C ATOM 867 C GLY A 55 36.302 -0.723 4.956 1.00 0.00 C ATOM 868 O GLY A 55 37.523 -0.590 5.028 1.00 0.00 O ATOM 0 H GLY A 55 33.436 -1.480 5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 55 35.242 -0.468 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 55 36.133 -1.973 6.706 1.00 0.00 H new ATOM 872 N GLY A 56 35.575 -0.413 3.893 1.00 0.00 N ATOM 873 CA GLY A 56 36.194 0.126 2.694 1.00 0.00 C ATOM 874 C GLY A 56 36.491 -0.984 1.683 1.00 0.00 C ATOM 875 O GLY A 56 36.984 -0.716 0.589 1.00 0.00 O ATOM 0 H GLY A 56 34.563 -0.525 3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 56 35.535 0.867 2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 56 37.119 0.640 2.957 1.00 0.00 H new ATOM 879 N ASN A 57 36.178 -2.206 2.087 1.00 0.00 N ATOM 880 CA ASN A 57 36.405 -3.358 1.230 1.00 0.00 C ATOM 881 C ASN A 57 35.230 -3.509 0.263 1.00 0.00 C ATOM 882 O ASN A 57 35.426 -3.789 -0.919 1.00 0.00 O ATOM 883 CB ASN A 57 36.509 -4.644 2.053 1.00 0.00 C ATOM 884 CG ASN A 57 37.713 -5.480 1.615 1.00 0.00 C ATOM 885 OD1 ASN A 57 37.893 -5.794 0.449 1.00 0.00 O ATOM 886 ND2 ASN A 57 38.526 -5.820 2.610 1.00 0.00 N ATOM 0 H ASN A 57 35.769 -2.424 2.996 1.00 0.00 H new ATOM 0 HA ASN A 57 37.339 -3.198 0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 57 36.599 -4.397 3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 57 35.596 -5.228 1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 57 39.359 -6.377 2.420 1.00 0.00 H new ATOM 0 HD22 ASN A 57 38.317 -5.524 3.563 1.00 0.00 H new ATOM 893 N ASN A 58 34.034 -3.316 0.800 1.00 0.00 N ATOM 894 CA ASN A 58 32.827 -3.427 -0.001 1.00 0.00 C ATOM 895 C ASN A 58 32.723 -4.845 -0.565 1.00 0.00 C ATOM 896 O ASN A 58 33.601 -5.290 -1.302 1.00 0.00 O ATOM 897 CB ASN A 58 32.856 -2.451 -1.179 1.00 0.00 C ATOM 898 CG ASN A 58 32.370 -1.064 -0.754 1.00 0.00 C ATOM 899 OD1 ASN A 58 32.499 -0.820 0.547 1.00 0.00 O flip ATOM 900 ND2 ASN A 58 31.908 -0.267 -1.554 1.00 0.00 N flip ATOM 0 H ASN A 58 33.875 -3.083 1.780 1.00 0.00 H new ATOM 0 HA ASN A 58 31.975 -3.195 0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 58 33.870 -2.380 -1.572 1.00 0.00 H new ATOM 0 HB3 ASN A 58 32.227 -2.829 -1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 58 31.837 -0.517 -2.540 1.00 0.00 H new ATOM 0 HD22 ASN A 58 31.593 0.650 -1.237 1.00 0.00 H new ATOM 907 N LYS A 59 31.641 -5.516 -0.196 1.00 0.00 N ATOM 908 CA LYS A 59 31.411 -6.875 -0.656 1.00 0.00 C ATOM 909 C LYS A 59 30.125 -6.918 -1.484 1.00 0.00 C ATOM 910 O LYS A 59 30.145 -7.314 -2.648 1.00 0.00 O ATOM 911 CB LYS A 59 31.415 -7.848 0.525 1.00 0.00 C ATOM 912 CG LYS A 59 32.710 -8.661 0.561 1.00 0.00 C ATOM 913 CD LYS A 59 32.802 -9.489 1.844 1.00 0.00 C ATOM 914 CE LYS A 59 34.213 -9.432 2.434 1.00 0.00 C ATOM 915 NZ LYS A 59 34.540 -10.703 3.118 1.00 0.00 N ATOM 0 H LYS A 59 30.915 -5.144 0.416 1.00 0.00 H new ATOM 0 HA LYS A 59 32.222 -7.199 -1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 59 31.303 -7.294 1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 59 30.561 -8.521 0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 59 32.754 -9.321 -0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 59 33.567 -7.990 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 59 32.084 -9.116 2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 59 32.534 -10.524 1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 59 34.937 -9.241 1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 59 34.286 -8.604 3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 35.501 -10.648 3.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 33.859 -10.869 3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 34.490 -11.487 2.436 1.00 0.00 H new ATOM 929 N SER A 60 29.037 -6.504 -0.851 1.00 0.00 N ATOM 930 CA SER A 60 27.745 -6.490 -1.514 1.00 0.00 C ATOM 931 C SER A 60 26.635 -6.237 -0.492 1.00 0.00 C ATOM 932 O SER A 60 25.760 -5.400 -0.715 1.00 0.00 O ATOM 933 CB SER A 60 27.493 -7.803 -2.257 1.00 0.00 C ATOM 934 OG SER A 60 28.454 -8.800 -1.920 1.00 0.00 O ATOM 0 H SER A 60 29.024 -6.176 0.115 1.00 0.00 H new ATOM 0 HA SER A 60 27.746 -5.683 -2.247 1.00 0.00 H new ATOM 0 HB2 SER A 60 26.494 -8.168 -2.020 1.00 0.00 H new ATOM 0 HB3 SER A 60 27.520 -7.622 -3.332 1.00 0.00 H new ATOM 0 HG SER A 60 29.195 -8.770 -2.560 1.00 0.00 H new ATOM 940 N ILE A 61 26.706 -6.974 0.606 1.00 0.00 N ATOM 941 CA ILE A 61 25.717 -6.840 1.663 1.00 0.00 C ATOM 942 C ILE A 61 24.323 -7.098 1.087 1.00 0.00 C ATOM 943 O ILE A 61 24.025 -6.689 -0.034 1.00 0.00 O ATOM 944 CB ILE A 61 25.855 -5.483 2.356 1.00 0.00 C ATOM 945 CG1 ILE A 61 27.238 -4.879 2.107 1.00 0.00 C ATOM 946 CG2 ILE A 61 25.538 -5.596 3.848 1.00 0.00 C ATOM 947 CD1 ILE A 61 28.341 -5.795 2.640 1.00 0.00 C ATOM 0 H ILE A 61 27.433 -7.666 0.787 1.00 0.00 H new ATOM 0 HA ILE A 61 25.885 -7.587 2.439 1.00 0.00 H new ATOM 0 HB ILE A 61 25.124 -4.801 1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 61 27.380 -4.716 1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 61 27.305 -3.904 2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 61 25.643 -4.618 4.317 1.00 0.00 H new ATOM 0 HG22 ILE A 61 24.516 -5.952 3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 61 26.229 -6.299 4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 61 29.314 -5.342 2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 61 28.210 -5.936 3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 61 28.286 -6.761 2.138 1.00 0.00 H new ATOM 959 N LYS A 62 23.507 -7.776 1.881 1.00 0.00 N ATOM 960 CA LYS A 62 22.152 -8.094 1.464 1.00 0.00 C ATOM 961 C LYS A 62 21.496 -8.991 2.516 1.00 0.00 C ATOM 962 O LYS A 62 22.157 -9.842 3.109 1.00 0.00 O ATOM 963 CB LYS A 62 22.150 -8.694 0.057 1.00 0.00 C ATOM 964 CG LYS A 62 20.835 -9.422 -0.228 1.00 0.00 C ATOM 965 CD LYS A 62 20.301 -9.066 -1.617 1.00 0.00 C ATOM 966 CE LYS A 62 19.898 -10.325 -2.388 1.00 0.00 C ATOM 967 NZ LYS A 62 21.043 -11.255 -2.496 1.00 0.00 N ATOM 0 H LYS A 62 23.758 -8.114 2.810 1.00 0.00 H new ATOM 0 HA LYS A 62 21.552 -7.187 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 62 22.299 -7.904 -0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.984 -9.388 -0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 62 20.989 -10.499 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 62 20.097 -9.156 0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 62 19.441 -8.403 -1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 62 21.063 -8.522 -2.175 1.00 0.00 H new ATOM 0 HE2 LYS A 62 19.068 -10.818 -1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.548 -10.052 -3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 21.394 -11.261 -3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 21.803 -10.946 -1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 20.738 -12.214 -2.232 1.00 0.00 H new ATOM 981 N ILE A 63 20.205 -8.770 2.715 1.00 0.00 N ATOM 982 CA ILE A 63 19.454 -9.549 3.684 1.00 0.00 C ATOM 983 C ILE A 63 18.647 -10.624 2.954 1.00 0.00 C ATOM 984 O ILE A 63 18.187 -10.406 1.834 1.00 0.00 O ATOM 985 CB ILE A 63 18.601 -8.631 4.563 1.00 0.00 C ATOM 986 CG1 ILE A 63 19.418 -7.439 5.065 1.00 0.00 C ATOM 987 CG2 ILE A 63 17.961 -9.412 5.712 1.00 0.00 C ATOM 988 CD1 ILE A 63 20.788 -7.889 5.576 1.00 0.00 C ATOM 0 H ILE A 63 19.660 -8.063 2.222 1.00 0.00 H new ATOM 0 HA ILE A 63 20.131 -10.066 4.364 1.00 0.00 H new ATOM 0 HB ILE A 63 17.790 -8.232 3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 63 19.546 -6.716 4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.876 -6.933 5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 63 17.360 -8.736 6.321 1.00 0.00 H new ATOM 0 HG22 ILE A 63 17.324 -10.198 5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 63 18.742 -9.858 6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 63 21.348 -7.022 5.927 1.00 0.00 H new ATOM 0 HD12 ILE A 63 20.657 -8.593 6.398 1.00 0.00 H new ATOM 0 HD13 ILE A 63 21.337 -8.373 4.768 1.00 0.00 H new ATOM 1000 N PHE A 64 18.499 -11.761 3.617 1.00 0.00 N ATOM 1001 CA PHE A 64 17.756 -12.870 3.045 1.00 0.00 C ATOM 1002 C PHE A 64 16.442 -13.095 3.796 1.00 0.00 C ATOM 1003 O PHE A 64 16.238 -12.545 4.877 1.00 0.00 O ATOM 1004 CB PHE A 64 18.631 -14.117 3.189 1.00 0.00 C ATOM 1005 CG PHE A 64 18.690 -14.985 1.930 1.00 0.00 C ATOM 1006 CD1 PHE A 64 19.033 -14.429 0.737 1.00 0.00 C ATOM 1007 CD2 PHE A 64 18.400 -16.311 2.005 1.00 0.00 C ATOM 1008 CE1 PHE A 64 19.087 -15.234 -0.431 1.00 0.00 C ATOM 1009 CE2 PHE A 64 18.455 -17.117 0.836 1.00 0.00 C ATOM 1010 CZ PHE A 64 18.797 -16.561 -0.357 1.00 0.00 C ATOM 0 H PHE A 64 18.881 -11.938 4.546 1.00 0.00 H new ATOM 0 HA PHE A 64 17.517 -12.659 2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 64 19.643 -13.810 3.454 1.00 0.00 H new ATOM 0 HB3 PHE A 64 18.254 -14.719 4.016 1.00 0.00 H new ATOM 0 HD1 PHE A 64 19.264 -13.376 0.678 1.00 0.00 H new ATOM 0 HD2 PHE A 64 18.128 -16.752 2.953 1.00 0.00 H new ATOM 0 HE1 PHE A 64 19.358 -14.793 -1.379 1.00 0.00 H new ATOM 0 HE2 PHE A 64 18.225 -18.171 0.895 1.00 0.00 H new ATOM 0 HZ PHE A 64 18.838 -17.173 -1.246 1.00 0.00 H new ATOM 1020 N HIS A 65 15.583 -13.904 3.192 1.00 0.00 N ATOM 1021 CA HIS A 65 14.294 -14.208 3.790 1.00 0.00 C ATOM 1022 C HIS A 65 14.198 -15.710 4.066 1.00 0.00 C ATOM 1023 O HIS A 65 14.782 -16.516 3.344 1.00 0.00 O ATOM 1024 CB HIS A 65 13.153 -13.693 2.912 1.00 0.00 C ATOM 1025 CG HIS A 65 12.935 -14.498 1.653 1.00 0.00 C ATOM 1026 ND1 HIS A 65 11.766 -14.434 0.914 1.00 0.00 N ATOM 1027 CD2 HIS A 65 13.749 -15.383 1.009 1.00 0.00 C ATOM 1028 CE1 HIS A 65 11.882 -15.249 -0.124 1.00 0.00 C ATOM 1029 NE2 HIS A 65 13.111 -15.837 -0.063 1.00 0.00 N ATOM 0 H HIS A 65 15.755 -14.358 2.295 1.00 0.00 H new ATOM 0 HA HIS A 65 14.201 -13.691 4.745 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.232 -13.692 3.495 1.00 0.00 H new ATOM 0 HB3 HIS A 65 13.358 -12.658 2.638 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.744 -15.666 1.319 1.00 0.00 H new ATOM 0 HE1 HIS A 65 11.134 -15.418 -0.885 1.00 0.00 H new ATOM 0 HE2 HIS A 65 13.479 -16.514 -0.731 1.00 0.00 H new ATOM 1037 N ARG A 66 13.458 -16.040 5.114 1.00 0.00 N ATOM 1038 CA ARG A 66 13.278 -17.431 5.495 1.00 0.00 C ATOM 1039 C ARG A 66 11.827 -17.684 5.908 1.00 0.00 C ATOM 1040 O ARG A 66 11.013 -18.120 5.095 1.00 0.00 O ATOM 1041 CB ARG A 66 14.204 -17.809 6.653 1.00 0.00 C ATOM 1042 CG ARG A 66 13.827 -19.174 7.233 1.00 0.00 C ATOM 1043 CD ARG A 66 14.851 -20.240 6.836 1.00 0.00 C ATOM 1044 NE ARG A 66 15.351 -20.935 8.043 1.00 0.00 N ATOM 1045 CZ ARG A 66 16.487 -21.663 8.081 1.00 0.00 C ATOM 1046 NH1 ARG A 66 17.252 -21.798 6.977 1.00 0.00 N ATOM 1047 NH2 ARG A 66 16.839 -22.242 9.215 1.00 0.00 N ATOM 0 H ARG A 66 12.976 -15.368 5.711 1.00 0.00 H new ATOM 0 HA ARG A 66 13.526 -18.047 4.631 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.237 -17.830 6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.146 -17.050 7.433 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.768 -19.108 8.319 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.838 -19.464 6.877 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.395 -20.959 6.155 1.00 0.00 H new ATOM 0 HD3 ARG A 66 15.681 -19.778 6.302 1.00 0.00 H new ATOM 0 HE ARG A 66 14.803 -20.859 8.900 1.00 0.00 H new ATOM 0 HH11 ARG A 66 16.973 -21.348 6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 66 18.109 -22.350 7.015 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.255 -22.135 10.045 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.694 -22.796 9.261 1.00 0.00 H new ATOM 1061 N ASP A 67 11.547 -17.402 7.172 1.00 0.00 N ATOM 1062 CA ASP A 67 10.208 -17.594 7.703 1.00 0.00 C ATOM 1063 C ASP A 67 9.481 -16.248 7.741 1.00 0.00 C ATOM 1064 O ASP A 67 9.101 -15.773 8.810 1.00 0.00 O ATOM 1065 CB ASP A 67 10.255 -18.146 9.129 1.00 0.00 C ATOM 1066 CG ASP A 67 8.920 -18.121 9.876 1.00 0.00 C ATOM 1067 OD1 ASP A 67 7.858 -17.892 9.279 1.00 0.00 O ATOM 1068 OD2 ASP A 67 9.000 -18.352 11.143 1.00 0.00 O ATOM 0 H ASP A 67 12.225 -17.042 7.844 1.00 0.00 H new ATOM 0 HA ASP A 67 9.688 -18.303 7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.615 -19.174 9.093 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.985 -17.573 9.701 1.00 0.00 H new ATOM 1074 N GLY A 68 9.310 -15.670 6.561 1.00 0.00 N ATOM 1075 CA GLY A 68 8.636 -14.389 6.445 1.00 0.00 C ATOM 1076 C GLY A 68 9.604 -13.234 6.710 1.00 0.00 C ATOM 1077 O GLY A 68 9.650 -12.270 5.946 1.00 0.00 O ATOM 0 H GLY A 68 9.627 -16.066 5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.208 -14.288 5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.808 -14.344 7.153 1.00 0.00 H new ATOM 1081 N LYS A 69 10.354 -13.369 7.793 1.00 0.00 N ATOM 1082 CA LYS A 69 11.319 -12.349 8.168 1.00 0.00 C ATOM 1083 C LYS A 69 12.633 -12.599 7.426 1.00 0.00 C ATOM 1084 O LYS A 69 12.664 -13.338 6.443 1.00 0.00 O ATOM 1085 CB LYS A 69 11.473 -12.290 9.689 1.00 0.00 C ATOM 1086 CG LYS A 69 12.497 -13.317 10.176 1.00 0.00 C ATOM 1087 CD LYS A 69 12.207 -14.701 9.591 1.00 0.00 C ATOM 1088 CE LYS A 69 13.268 -15.714 10.027 1.00 0.00 C ATOM 1089 NZ LYS A 69 12.682 -16.716 10.944 1.00 0.00 N ATOM 0 H LYS A 69 10.313 -14.170 8.424 1.00 0.00 H new ATOM 0 HA LYS A 69 10.966 -11.362 7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.785 -11.289 9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.510 -12.478 10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.500 -13.000 9.889 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.478 -13.367 11.265 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.222 -15.038 9.915 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.181 -14.642 8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.684 -16.213 9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.091 -15.198 10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.188 -16.693 11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.678 -16.497 11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.768 -17.663 10.524 1.00 0.00 H new ATOM 1103 N TYR A 70 13.686 -11.969 7.924 1.00 0.00 N ATOM 1104 CA TYR A 70 15.000 -12.113 7.321 1.00 0.00 C ATOM 1105 C TYR A 70 15.388 -13.588 7.199 1.00 0.00 C ATOM 1106 O TYR A 70 14.542 -14.470 7.342 1.00 0.00 O ATOM 1107 CB TYR A 70 15.979 -11.418 8.269 1.00 0.00 C ATOM 1108 CG TYR A 70 15.571 -9.993 8.649 1.00 0.00 C ATOM 1109 CD1 TYR A 70 14.890 -9.205 7.743 1.00 0.00 C ATOM 1110 CD2 TYR A 70 15.884 -9.495 9.897 1.00 0.00 C ATOM 1111 CE1 TYR A 70 14.506 -7.864 8.100 1.00 0.00 C ATOM 1112 CE2 TYR A 70 15.500 -8.154 10.255 1.00 0.00 C ATOM 1113 CZ TYR A 70 14.830 -7.405 9.338 1.00 0.00 C ATOM 1114 OH TYR A 70 14.468 -6.138 9.676 1.00 0.00 O ATOM 0 H TYR A 70 13.656 -11.357 8.739 1.00 0.00 H new ATOM 0 HA TYR A 70 15.011 -11.682 6.320 1.00 0.00 H new ATOM 0 HB2 TYR A 70 16.073 -12.013 9.178 1.00 0.00 H new ATOM 0 HB3 TYR A 70 16.964 -11.391 7.802 1.00 0.00 H new ATOM 0 HD1 TYR A 70 14.645 -9.595 6.766 1.00 0.00 H new ATOM 0 HD2 TYR A 70 16.417 -10.111 10.606 1.00 0.00 H new ATOM 0 HE1 TYR A 70 13.973 -7.237 7.400 1.00 0.00 H new ATOM 0 HE2 TYR A 70 15.738 -7.752 11.229 1.00 0.00 H new ATOM 0 HH TYR A 70 14.745 -5.519 8.968 1.00 0.00 H new ATOM 1124 N GLY A 71 16.667 -13.811 6.936 1.00 0.00 N ATOM 1125 CA GLY A 71 17.177 -15.164 6.793 1.00 0.00 C ATOM 1126 C GLY A 71 18.520 -15.322 7.509 1.00 0.00 C ATOM 1127 O GLY A 71 18.563 -15.477 8.728 1.00 0.00 O ATOM 0 H GLY A 71 17.366 -13.077 6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 71 16.457 -15.873 7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 71 17.294 -15.403 5.736 1.00 0.00 H new ATOM 1131 N PHE A 72 19.584 -15.277 6.720 1.00 0.00 N ATOM 1132 CA PHE A 72 20.925 -15.414 7.263 1.00 0.00 C ATOM 1133 C PHE A 72 21.034 -14.734 8.629 1.00 0.00 C ATOM 1134 O PHE A 72 21.794 -15.179 9.488 1.00 0.00 O ATOM 1135 CB PHE A 72 21.876 -14.722 6.284 1.00 0.00 C ATOM 1136 CG PHE A 72 23.158 -15.508 6.002 1.00 0.00 C ATOM 1137 CD1 PHE A 72 24.126 -15.594 6.953 1.00 0.00 C ATOM 1138 CD2 PHE A 72 23.329 -16.120 4.800 1.00 0.00 C ATOM 1139 CE1 PHE A 72 25.316 -16.323 6.691 1.00 0.00 C ATOM 1140 CE2 PHE A 72 24.519 -16.849 4.538 1.00 0.00 C ATOM 1141 CZ PHE A 72 25.487 -16.935 5.489 1.00 0.00 C ATOM 0 H PHE A 72 19.544 -15.148 5.709 1.00 0.00 H new ATOM 0 HA PHE A 72 21.170 -16.468 7.391 1.00 0.00 H new ATOM 0 HB2 PHE A 72 21.352 -14.552 5.343 1.00 0.00 H new ATOM 0 HB3 PHE A 72 22.142 -13.743 6.683 1.00 0.00 H new ATOM 0 HD1 PHE A 72 23.990 -15.108 7.908 1.00 0.00 H new ATOM 0 HD2 PHE A 72 22.560 -16.052 4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 72 26.085 -16.391 7.446 1.00 0.00 H new ATOM 0 HE2 PHE A 72 24.655 -17.335 3.583 1.00 0.00 H new ATOM 0 HZ PHE A 72 26.392 -17.490 5.290 1.00 0.00 H new ATOM 1151 N SER A 73 20.264 -13.668 8.788 1.00 0.00 N ATOM 1152 CA SER A 73 20.265 -12.923 10.035 1.00 0.00 C ATOM 1153 C SER A 73 19.481 -13.688 11.103 1.00 0.00 C ATOM 1154 O SER A 73 18.566 -13.142 11.717 1.00 0.00 O ATOM 1155 CB SER A 73 19.674 -11.525 9.842 1.00 0.00 C ATOM 1156 OG SER A 73 18.253 -11.555 9.745 1.00 0.00 O ATOM 0 H SER A 73 19.635 -13.302 8.073 1.00 0.00 H new ATOM 0 HA SER A 73 21.298 -12.809 10.364 1.00 0.00 H new ATOM 0 HB2 SER A 73 19.967 -10.889 10.677 1.00 0.00 H new ATOM 0 HB3 SER A 73 20.090 -11.077 8.939 1.00 0.00 H new ATOM 0 HG SER A 73 17.878 -11.959 10.556 1.00 0.00 H new ATOM 1162 N ASP A 74 19.868 -14.941 11.291 1.00 0.00 N ATOM 1163 CA ASP A 74 19.212 -15.787 12.274 1.00 0.00 C ATOM 1164 C ASP A 74 17.740 -15.956 11.894 1.00 0.00 C ATOM 1165 O ASP A 74 16.885 -15.204 12.360 1.00 0.00 O ATOM 1166 CB ASP A 74 19.272 -15.160 13.668 1.00 0.00 C ATOM 1167 CG ASP A 74 20.394 -15.687 14.566 1.00 0.00 C ATOM 1168 OD1 ASP A 74 21.079 -16.663 14.226 1.00 0.00 O ATOM 1169 OD2 ASP A 74 20.555 -15.042 15.672 1.00 0.00 O ATOM 0 H ASP A 74 20.627 -15.391 10.780 1.00 0.00 H new ATOM 0 HA ASP A 74 19.726 -16.748 12.289 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.389 -14.082 13.560 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.318 -15.329 14.167 1.00 0.00 H new ATOM 1175 N PRO A 75 17.482 -16.973 11.029 1.00 0.00 N ATOM 1176 CA PRO A 75 16.127 -17.250 10.582 1.00 0.00 C ATOM 1177 C PRO A 75 15.315 -17.934 11.683 1.00 0.00 C ATOM 1178 O PRO A 75 14.800 -19.034 11.488 1.00 0.00 O ATOM 1179 CB PRO A 75 16.291 -18.113 9.342 1.00 0.00 C ATOM 1180 CG PRO A 75 17.703 -18.673 9.407 1.00 0.00 C ATOM 1181 CD PRO A 75 18.469 -17.884 10.457 1.00 0.00 C ATOM 0 HA PRO A 75 15.567 -16.344 10.350 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.553 -18.915 9.324 1.00 0.00 H new ATOM 0 HB3 PRO A 75 16.145 -17.526 8.435 1.00 0.00 H new ATOM 0 HG2 PRO A 75 17.682 -19.732 9.665 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.191 -18.591 8.436 1.00 0.00 H new ATOM 0 HD2 PRO A 75 18.889 -18.542 11.218 1.00 0.00 H new ATOM 0 HD3 PRO A 75 19.301 -17.338 10.013 1.00 0.00 H new ATOM 1189 N LEU A 76 15.225 -17.254 12.817 1.00 0.00 N ATOM 1190 CA LEU A 76 14.484 -17.782 13.950 1.00 0.00 C ATOM 1191 C LEU A 76 13.186 -16.991 14.118 1.00 0.00 C ATOM 1192 O LEU A 76 12.142 -17.562 14.431 1.00 0.00 O ATOM 1193 CB LEU A 76 15.361 -17.799 15.203 1.00 0.00 C ATOM 1194 CG LEU A 76 16.562 -18.746 15.169 1.00 0.00 C ATOM 1195 CD1 LEU A 76 17.767 -18.130 15.883 1.00 0.00 C ATOM 1196 CD2 LEU A 76 16.195 -20.117 15.742 1.00 0.00 C ATOM 0 H LEU A 76 15.653 -16.342 12.975 1.00 0.00 H new ATOM 0 HA LEU A 76 14.204 -18.820 13.772 1.00 0.00 H new ATOM 0 HB2 LEU A 76 15.726 -16.787 15.380 1.00 0.00 H new ATOM 0 HB3 LEU A 76 14.737 -18.067 16.056 1.00 0.00 H new ATOM 0 HG LEU A 76 16.848 -18.898 14.128 1.00 0.00 H new ATOM 0 HD11 LEU A 76 18.607 -18.824 15.844 1.00 0.00 H new ATOM 0 HD12 LEU A 76 18.044 -17.197 15.391 1.00 0.00 H new ATOM 0 HD13 LEU A 76 17.510 -17.929 16.923 1.00 0.00 H new ATOM 0 HD21 LEU A 76 17.066 -20.771 15.706 1.00 0.00 H new ATOM 0 HD22 LEU A 76 15.868 -20.004 16.776 1.00 0.00 H new ATOM 0 HD23 LEU A 76 15.389 -20.554 15.153 1.00 0.00 H new ATOM 1208 N THR A 77 13.292 -15.687 13.903 1.00 0.00 N ATOM 1209 CA THR A 77 12.140 -14.812 14.027 1.00 0.00 C ATOM 1210 C THR A 77 12.583 -13.397 14.404 1.00 0.00 C ATOM 1211 O THR A 77 11.993 -12.770 15.283 1.00 0.00 O ATOM 1212 CB THR A 77 11.178 -15.437 15.040 1.00 0.00 C ATOM 1213 OG1 THR A 77 10.362 -14.347 15.462 1.00 0.00 O ATOM 1214 CG2 THR A 77 11.886 -15.890 16.318 1.00 0.00 C ATOM 0 H THR A 77 14.159 -15.216 13.644 1.00 0.00 H new ATOM 0 HA THR A 77 11.615 -14.713 13.077 1.00 0.00 H new ATOM 0 HB THR A 77 10.674 -16.289 14.584 1.00 0.00 H new ATOM 0 HG1 THR A 77 10.913 -13.692 15.940 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.158 -16.326 17.002 1.00 0.00 H new ATOM 0 HG22 THR A 77 12.642 -16.635 16.070 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.363 -15.033 16.793 1.00 0.00 H new ATOM 1222 N PHE A 78 13.619 -12.934 13.720 1.00 0.00 N ATOM 1223 CA PHE A 78 14.149 -11.605 13.972 1.00 0.00 C ATOM 1224 C PHE A 78 13.978 -10.705 12.746 1.00 0.00 C ATOM 1225 O PHE A 78 14.749 -10.796 11.792 1.00 0.00 O ATOM 1226 CB PHE A 78 15.641 -11.766 14.267 1.00 0.00 C ATOM 1227 CG PHE A 78 16.161 -10.841 15.369 1.00 0.00 C ATOM 1228 CD1 PHE A 78 15.845 -11.086 16.669 1.00 0.00 C ATOM 1229 CD2 PHE A 78 16.940 -9.772 15.049 1.00 0.00 C ATOM 1230 CE1 PHE A 78 16.328 -10.228 17.691 1.00 0.00 C ATOM 1231 CE2 PHE A 78 17.423 -8.914 16.071 1.00 0.00 C ATOM 1232 CZ PHE A 78 17.106 -9.159 17.371 1.00 0.00 C ATOM 0 H PHE A 78 14.106 -13.456 12.991 1.00 0.00 H new ATOM 0 HA PHE A 78 13.617 -11.145 14.805 1.00 0.00 H new ATOM 0 HB2 PHE A 78 15.835 -12.800 14.553 1.00 0.00 H new ATOM 0 HB3 PHE A 78 16.204 -11.577 13.353 1.00 0.00 H new ATOM 0 HD1 PHE A 78 15.226 -11.934 16.924 1.00 0.00 H new ATOM 0 HD2 PHE A 78 17.191 -9.577 14.017 1.00 0.00 H new ATOM 0 HE1 PHE A 78 16.078 -10.424 18.723 1.00 0.00 H new ATOM 0 HE2 PHE A 78 18.042 -8.067 15.817 1.00 0.00 H new ATOM 0 HZ PHE A 78 17.472 -8.505 18.149 1.00 0.00 H new ATOM 1242 N ASN A 79 12.962 -9.857 12.811 1.00 0.00 N ATOM 1243 CA ASN A 79 12.680 -8.942 11.719 1.00 0.00 C ATOM 1244 C ASN A 79 12.745 -7.503 12.234 1.00 0.00 C ATOM 1245 O ASN A 79 11.941 -6.660 11.838 1.00 0.00 O ATOM 1246 CB ASN A 79 11.279 -9.177 11.151 1.00 0.00 C ATOM 1247 CG ASN A 79 11.271 -9.024 9.628 1.00 0.00 C ATOM 1248 OD1 ASN A 79 12.278 -8.736 9.003 1.00 0.00 O ATOM 1249 ND2 ASN A 79 10.083 -9.233 9.070 1.00 0.00 N ATOM 0 H ASN A 79 12.324 -9.785 13.603 1.00 0.00 H new ATOM 0 HA ASN A 79 13.420 -9.113 10.937 1.00 0.00 H new ATOM 0 HB2 ASN A 79 10.936 -10.176 11.421 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.579 -8.469 11.595 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.974 -9.155 8.059 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.281 -9.471 9.653 1.00 0.00 H new ATOM 1256 N SER A 80 13.711 -7.265 13.110 1.00 0.00 N ATOM 1257 CA SER A 80 13.891 -5.943 13.684 1.00 0.00 C ATOM 1258 C SER A 80 15.354 -5.743 14.087 1.00 0.00 C ATOM 1259 O SER A 80 15.756 -6.120 15.187 1.00 0.00 O ATOM 1260 CB SER A 80 12.975 -5.737 14.892 1.00 0.00 C ATOM 1261 OG SER A 80 11.611 -6.002 14.579 1.00 0.00 O ATOM 0 H SER A 80 14.377 -7.966 13.436 1.00 0.00 H new ATOM 0 HA SER A 80 13.623 -5.203 12.930 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.294 -6.390 15.704 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.072 -4.712 15.250 1.00 0.00 H new ATOM 0 HG SER A 80 11.039 -5.339 15.020 1.00 0.00 H new ATOM 1267 N VAL A 81 16.110 -5.149 13.176 1.00 0.00 N ATOM 1268 CA VAL A 81 17.519 -4.894 13.422 1.00 0.00 C ATOM 1269 C VAL A 81 17.679 -3.511 14.056 1.00 0.00 C ATOM 1270 O VAL A 81 18.622 -2.786 13.742 1.00 0.00 O ATOM 1271 CB VAL A 81 18.314 -5.054 12.125 1.00 0.00 C ATOM 1272 CG1 VAL A 81 19.819 -5.025 12.398 1.00 0.00 C ATOM 1273 CG2 VAL A 81 17.914 -6.335 11.390 1.00 0.00 C ATOM 0 H VAL A 81 15.773 -4.837 12.265 1.00 0.00 H new ATOM 0 HA VAL A 81 17.922 -5.622 14.126 1.00 0.00 H new ATOM 0 HB VAL A 81 18.074 -4.210 11.479 1.00 0.00 H new ATOM 0 HG11 VAL A 81 20.361 -5.141 11.460 1.00 0.00 H new ATOM 0 HG12 VAL A 81 20.087 -4.074 12.857 1.00 0.00 H new ATOM 0 HG13 VAL A 81 20.082 -5.840 13.072 1.00 0.00 H new ATOM 0 HG21 VAL A 81 18.494 -6.424 10.472 1.00 0.00 H new ATOM 0 HG22 VAL A 81 18.110 -7.197 12.028 1.00 0.00 H new ATOM 0 HG23 VAL A 81 16.852 -6.298 11.146 1.00 0.00 H new ATOM 1283 N VAL A 82 16.743 -3.186 14.936 1.00 0.00 N ATOM 1284 CA VAL A 82 16.769 -1.902 15.616 1.00 0.00 C ATOM 1285 C VAL A 82 17.166 -2.113 17.078 1.00 0.00 C ATOM 1286 O VAL A 82 17.961 -1.350 17.626 1.00 0.00 O ATOM 1287 CB VAL A 82 15.420 -1.199 15.458 1.00 0.00 C ATOM 1288 CG1 VAL A 82 15.364 -0.407 14.151 1.00 0.00 C ATOM 1289 CG2 VAL A 82 14.266 -2.201 15.542 1.00 0.00 C ATOM 0 H VAL A 82 15.962 -3.790 15.194 1.00 0.00 H new ATOM 0 HA VAL A 82 17.516 -1.247 15.168 1.00 0.00 H new ATOM 0 HB VAL A 82 15.312 -0.494 16.282 1.00 0.00 H new ATOM 0 HG11 VAL A 82 14.394 0.083 14.064 1.00 0.00 H new ATOM 0 HG12 VAL A 82 16.152 0.346 14.148 1.00 0.00 H new ATOM 0 HG13 VAL A 82 15.505 -1.084 13.309 1.00 0.00 H new ATOM 0 HG21 VAL A 82 13.318 -1.675 15.427 1.00 0.00 H new ATOM 0 HG22 VAL A 82 14.369 -2.942 14.749 1.00 0.00 H new ATOM 0 HG23 VAL A 82 14.288 -2.701 16.510 1.00 0.00 H new ATOM 1299 N GLU A 83 16.594 -3.152 17.670 1.00 0.00 N ATOM 1300 CA GLU A 83 16.879 -3.472 19.058 1.00 0.00 C ATOM 1301 C GLU A 83 18.389 -3.492 19.300 1.00 0.00 C ATOM 1302 O GLU A 83 18.855 -3.108 20.372 1.00 0.00 O ATOM 1303 CB GLU A 83 16.243 -4.806 19.454 1.00 0.00 C ATOM 1304 CG GLU A 83 16.341 -5.034 20.964 1.00 0.00 C ATOM 1305 CD GLU A 83 15.001 -5.498 21.537 1.00 0.00 C ATOM 1306 OE1 GLU A 83 14.683 -6.695 21.480 1.00 0.00 O ATOM 1307 OE2 GLU A 83 14.278 -4.564 22.057 1.00 0.00 O ATOM 0 H GLU A 83 15.935 -3.782 17.213 1.00 0.00 H new ATOM 0 HA GLU A 83 16.441 -2.696 19.686 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.197 -4.819 19.148 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.740 -5.620 18.927 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.108 -5.780 21.174 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.651 -4.112 21.455 1.00 0.00 H new ATOM 1315 N LEU A 84 19.113 -3.942 18.286 1.00 0.00 N ATOM 1316 CA LEU A 84 20.561 -4.016 18.375 1.00 0.00 C ATOM 1317 C LEU A 84 21.154 -2.625 18.142 1.00 0.00 C ATOM 1318 O LEU A 84 22.120 -2.240 18.799 1.00 0.00 O ATOM 1319 CB LEU A 84 21.103 -5.083 17.421 1.00 0.00 C ATOM 1320 CG LEU A 84 20.528 -5.069 16.003 1.00 0.00 C ATOM 1321 CD1 LEU A 84 21.633 -5.258 14.961 1.00 0.00 C ATOM 1322 CD2 LEU A 84 19.414 -6.107 15.852 1.00 0.00 C ATOM 0 H LEU A 84 18.724 -4.259 17.398 1.00 0.00 H new ATOM 0 HA LEU A 84 20.865 -4.330 19.374 1.00 0.00 H new ATOM 0 HB2 LEU A 84 22.185 -4.967 17.354 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.914 -6.063 17.859 1.00 0.00 H new ATOM 0 HG LEU A 84 20.082 -4.090 15.825 1.00 0.00 H new ATOM 0 HD11 LEU A 84 21.197 -5.244 13.962 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.360 -4.451 15.051 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.130 -6.214 15.127 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.023 -6.076 14.835 1.00 0.00 H new ATOM 0 HD22 LEU A 84 19.812 -7.101 16.057 1.00 0.00 H new ATOM 0 HD23 LEU A 84 18.612 -5.885 16.556 1.00 0.00 H new ATOM 1334 N ILE A 85 20.552 -1.910 17.204 1.00 0.00 N ATOM 1335 CA ILE A 85 21.008 -0.570 16.876 1.00 0.00 C ATOM 1336 C ILE A 85 21.247 0.214 18.168 1.00 0.00 C ATOM 1337 O ILE A 85 21.986 1.197 18.175 1.00 0.00 O ATOM 1338 CB ILE A 85 20.029 0.110 15.916 1.00 0.00 C ATOM 1339 CG1 ILE A 85 20.285 -0.325 14.472 1.00 0.00 C ATOM 1340 CG2 ILE A 85 20.075 1.631 16.073 1.00 0.00 C ATOM 1341 CD1 ILE A 85 21.351 0.554 13.815 1.00 0.00 C ATOM 0 H ILE A 85 19.752 -2.233 16.660 1.00 0.00 H new ATOM 0 HA ILE A 85 21.960 -0.611 16.347 1.00 0.00 H new ATOM 0 HB ILE A 85 19.020 -0.210 16.174 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.606 -1.367 14.454 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.358 -0.267 13.901 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.370 2.090 15.380 1.00 0.00 H new ATOM 0 HG22 ILE A 85 19.806 1.900 17.095 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.082 1.989 15.857 1.00 0.00 H new ATOM 0 HD11 ILE A 85 21.514 0.223 12.789 1.00 0.00 H new ATOM 0 HD12 ILE A 85 21.017 1.591 13.813 1.00 0.00 H new ATOM 0 HD13 ILE A 85 22.283 0.474 14.374 1.00 0.00 H new ATOM 1353 N ASN A 86 20.607 -0.251 19.231 1.00 0.00 N ATOM 1354 CA ASN A 86 20.740 0.393 20.526 1.00 0.00 C ATOM 1355 C ASN A 86 21.364 -0.590 21.519 1.00 0.00 C ATOM 1356 O ASN A 86 22.244 -0.219 22.295 1.00 0.00 O ATOM 1357 CB ASN A 86 19.375 0.816 21.074 1.00 0.00 C ATOM 1358 CG ASN A 86 18.334 -0.285 20.862 1.00 0.00 C ATOM 1359 OD1 ASN A 86 17.602 -0.132 19.762 1.00 0.00 O flip ATOM 1360 ND2 ASN A 86 18.204 -1.212 21.644 1.00 0.00 N flip ATOM 0 H ASN A 86 19.995 -1.067 19.221 1.00 0.00 H new ATOM 0 HA ASN A 86 21.368 1.275 20.400 1.00 0.00 H new ATOM 0 HB2 ASN A 86 19.460 1.041 22.137 1.00 0.00 H new ATOM 0 HB3 ASN A 86 19.048 1.731 20.579 1.00 0.00 H new ATOM 0 HD21 ASN A 86 18.799 -1.270 22.470 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.500 -1.930 21.472 1.00 0.00 H new ATOM 1367 N HIS A 87 20.884 -1.823 21.462 1.00 0.00 N ATOM 1368 CA HIS A 87 21.384 -2.862 22.346 1.00 0.00 C ATOM 1369 C HIS A 87 22.843 -3.170 22.003 1.00 0.00 C ATOM 1370 O HIS A 87 23.705 -3.169 22.880 1.00 0.00 O ATOM 1371 CB HIS A 87 20.488 -4.101 22.290 1.00 0.00 C ATOM 1372 CG HIS A 87 19.154 -3.925 22.975 1.00 0.00 C ATOM 1373 ND1 HIS A 87 18.604 -2.839 23.591 1.00 0.00 N flip ATOM 1374 CD2 HIS A 87 18.224 -4.945 23.078 1.00 0.00 C flip ATOM 1375 CE1 HIS A 87 17.403 -3.176 24.044 1.00 0.00 C flip ATOM 1376 NE2 HIS A 87 17.166 -4.481 23.728 1.00 0.00 N flip ATOM 0 H HIS A 87 20.154 -2.126 20.817 1.00 0.00 H new ATOM 0 HA HIS A 87 21.356 -2.511 23.377 1.00 0.00 H new ATOM 0 HB2 HIS A 87 20.317 -4.366 21.247 1.00 0.00 H new ATOM 0 HB3 HIS A 87 21.013 -4.938 22.750 1.00 0.00 H new ATOM 0 HD2 HIS A 87 18.340 -5.948 22.694 1.00 0.00 H new ATOM 0 HE1 HIS A 87 16.725 -2.524 24.575 1.00 0.00 H new ATOM 0 HE2 HIS A 87 16.322 -5.008 23.953 1.00 0.00 H new ATOM 1384 N TYR A 88 23.075 -3.426 20.723 1.00 0.00 N ATOM 1385 CA TYR A 88 24.415 -3.735 20.253 1.00 0.00 C ATOM 1386 C TYR A 88 24.846 -2.767 19.150 1.00 0.00 C ATOM 1387 O TYR A 88 24.714 -3.071 17.965 1.00 0.00 O ATOM 1388 CB TYR A 88 24.343 -5.150 19.674 1.00 0.00 C ATOM 1389 CG TYR A 88 23.678 -6.169 20.602 1.00 0.00 C ATOM 1390 CD1 TYR A 88 24.403 -6.748 21.623 1.00 0.00 C ATOM 1391 CD2 TYR A 88 22.353 -6.508 20.417 1.00 0.00 C ATOM 1392 CE1 TYR A 88 23.778 -7.707 22.496 1.00 0.00 C ATOM 1393 CE2 TYR A 88 21.727 -7.467 21.290 1.00 0.00 C ATOM 1394 CZ TYR A 88 22.471 -8.020 22.287 1.00 0.00 C ATOM 1395 OH TYR A 88 21.880 -8.925 23.111 1.00 0.00 O ATOM 0 H TYR A 88 22.358 -3.426 19.998 1.00 0.00 H new ATOM 0 HA TYR A 88 25.136 -3.652 21.067 1.00 0.00 H new ATOM 0 HB2 TYR A 88 23.794 -5.119 18.733 1.00 0.00 H new ATOM 0 HB3 TYR A 88 25.353 -5.489 19.443 1.00 0.00 H new ATOM 0 HD1 TYR A 88 25.440 -6.482 21.767 1.00 0.00 H new ATOM 0 HD2 TYR A 88 21.786 -6.054 19.618 1.00 0.00 H new ATOM 0 HE1 TYR A 88 24.334 -8.168 23.299 1.00 0.00 H new ATOM 0 HE2 TYR A 88 20.691 -7.741 21.157 1.00 0.00 H new ATOM 0 HH TYR A 88 20.945 -9.049 22.844 1.00 0.00 H new ATOM 1405 N ARG A 89 25.351 -1.619 19.578 1.00 0.00 N ATOM 1406 CA ARG A 89 25.802 -0.604 18.641 1.00 0.00 C ATOM 1407 C ARG A 89 27.311 -0.387 18.779 1.00 0.00 C ATOM 1408 O ARG A 89 27.775 0.750 18.833 1.00 0.00 O ATOM 1409 CB ARG A 89 25.079 0.723 18.878 1.00 0.00 C ATOM 1410 CG ARG A 89 25.516 1.357 20.200 1.00 0.00 C ATOM 1411 CD ARG A 89 24.374 2.160 20.827 1.00 0.00 C ATOM 1412 NE ARG A 89 24.919 3.307 21.587 1.00 0.00 N ATOM 1413 CZ ARG A 89 24.203 4.400 21.925 1.00 0.00 C ATOM 1414 NH1 ARG A 89 22.904 4.504 21.573 1.00 0.00 N ATOM 1415 NH2 ARG A 89 24.792 5.366 22.606 1.00 0.00 N ATOM 0 H ARG A 89 25.458 -1.369 20.561 1.00 0.00 H new ATOM 0 HA ARG A 89 25.573 -0.955 17.635 1.00 0.00 H new ATOM 0 HB2 ARG A 89 25.288 1.407 18.056 1.00 0.00 H new ATOM 0 HB3 ARG A 89 24.002 0.557 18.889 1.00 0.00 H new ATOM 0 HG2 ARG A 89 25.840 0.579 20.891 1.00 0.00 H new ATOM 0 HG3 ARG A 89 26.373 2.009 20.029 1.00 0.00 H new ATOM 0 HD2 ARG A 89 23.699 2.517 20.049 1.00 0.00 H new ATOM 0 HD3 ARG A 89 23.789 1.520 21.488 1.00 0.00 H new ATOM 0 HE ARG A 89 25.897 3.269 21.873 1.00 0.00 H new ATOM 0 HH11 ARG A 89 22.456 3.753 21.048 1.00 0.00 H new ATOM 0 HH12 ARG A 89 22.370 5.333 21.833 1.00 0.00 H new ATOM 0 HH21 ARG A 89 25.774 5.279 22.869 1.00 0.00 H new ATOM 0 HH22 ARG A 89 24.265 6.199 22.869 1.00 0.00 H new ATOM 1429 N ASN A 90 28.033 -1.497 18.832 1.00 0.00 N ATOM 1430 CA ASN A 90 29.479 -1.442 18.962 1.00 0.00 C ATOM 1431 C ASN A 90 29.969 -2.695 19.692 1.00 0.00 C ATOM 1432 O ASN A 90 29.625 -2.916 20.852 1.00 0.00 O ATOM 1433 CB ASN A 90 29.913 -0.221 19.776 1.00 0.00 C ATOM 1434 CG ASN A 90 31.333 -0.400 20.317 1.00 0.00 C ATOM 1435 OD1 ASN A 90 31.607 -1.253 21.145 1.00 0.00 O ATOM 1436 ND2 ASN A 90 32.218 0.451 19.806 1.00 0.00 N ATOM 0 H ASN A 90 27.644 -2.439 18.787 1.00 0.00 H new ATOM 0 HA ASN A 90 29.905 -1.378 17.961 1.00 0.00 H new ATOM 0 HB2 ASN A 90 29.867 0.672 19.152 1.00 0.00 H new ATOM 0 HB3 ASN A 90 29.221 -0.067 20.604 1.00 0.00 H new ATOM 0 HD21 ASN A 90 33.193 0.413 20.104 1.00 0.00 H new ATOM 0 HD22 ASN A 90 31.922 1.141 19.116 1.00 0.00 H new ATOM 1443 N GLU A 91 30.764 -3.481 18.983 1.00 0.00 N ATOM 1444 CA GLU A 91 31.305 -4.706 19.548 1.00 0.00 C ATOM 1445 C GLU A 91 31.640 -5.702 18.436 1.00 0.00 C ATOM 1446 O GLU A 91 32.404 -6.641 18.649 1.00 0.00 O ATOM 1447 CB GLU A 91 30.333 -5.319 20.559 1.00 0.00 C ATOM 1448 CG GLU A 91 30.714 -4.934 21.989 1.00 0.00 C ATOM 1449 CD GLU A 91 31.658 -5.971 22.602 1.00 0.00 C ATOM 1450 OE1 GLU A 91 31.216 -7.068 22.975 1.00 0.00 O ATOM 1451 OE2 GLU A 91 32.892 -5.603 22.685 1.00 0.00 O ATOM 0 H GLU A 91 31.047 -3.294 18.021 1.00 0.00 H new ATOM 0 HA GLU A 91 32.225 -4.462 20.079 1.00 0.00 H new ATOM 0 HB2 GLU A 91 29.319 -4.980 20.345 1.00 0.00 H new ATOM 0 HB3 GLU A 91 30.334 -6.404 20.458 1.00 0.00 H new ATOM 0 HG2 GLU A 91 31.193 -3.955 21.991 1.00 0.00 H new ATOM 0 HG3 GLU A 91 29.815 -4.850 22.599 1.00 0.00 H new ATOM 1459 N SER A 92 31.051 -5.462 17.274 1.00 0.00 N ATOM 1460 CA SER A 92 31.277 -6.326 16.128 1.00 0.00 C ATOM 1461 C SER A 92 30.252 -7.462 16.118 1.00 0.00 C ATOM 1462 O SER A 92 29.639 -7.758 17.143 1.00 0.00 O ATOM 1463 CB SER A 92 32.698 -6.894 16.138 1.00 0.00 C ATOM 1464 OG SER A 92 32.744 -8.207 16.688 1.00 0.00 O ATOM 0 H SER A 92 30.417 -4.681 17.101 1.00 0.00 H new ATOM 0 HA SER A 92 31.159 -5.730 15.223 1.00 0.00 H new ATOM 0 HB2 SER A 92 33.088 -6.913 15.120 1.00 0.00 H new ATOM 0 HB3 SER A 92 33.347 -6.236 16.716 1.00 0.00 H new ATOM 0 HG SER A 92 32.651 -8.157 17.662 1.00 0.00 H new ATOM 1470 N LEU A 93 30.098 -8.068 14.950 1.00 0.00 N ATOM 1471 CA LEU A 93 29.158 -9.164 14.794 1.00 0.00 C ATOM 1472 C LEU A 93 29.877 -10.361 14.169 1.00 0.00 C ATOM 1473 O LEU A 93 29.235 -11.284 13.668 1.00 0.00 O ATOM 1474 CB LEU A 93 27.927 -8.707 14.008 1.00 0.00 C ATOM 1475 CG LEU A 93 28.159 -8.371 12.534 1.00 0.00 C ATOM 1476 CD1 LEU A 93 28.583 -9.613 11.748 1.00 0.00 C ATOM 1477 CD2 LEU A 93 26.927 -7.699 11.924 1.00 0.00 C ATOM 0 H LEU A 93 30.609 -7.820 14.103 1.00 0.00 H new ATOM 0 HA LEU A 93 28.785 -9.487 15.766 1.00 0.00 H new ATOM 0 HB2 LEU A 93 27.171 -9.490 14.067 1.00 0.00 H new ATOM 0 HB3 LEU A 93 27.513 -7.827 14.500 1.00 0.00 H new ATOM 0 HG LEU A 93 28.979 -7.656 12.472 1.00 0.00 H new ATOM 0 HD11 LEU A 93 28.741 -9.346 10.703 1.00 0.00 H new ATOM 0 HD12 LEU A 93 29.509 -10.009 12.165 1.00 0.00 H new ATOM 0 HD13 LEU A 93 27.802 -10.370 11.815 1.00 0.00 H new ATOM 0 HD21 LEU A 93 27.119 -7.471 10.876 1.00 0.00 H new ATOM 0 HD22 LEU A 93 26.072 -8.371 11.999 1.00 0.00 H new ATOM 0 HD23 LEU A 93 26.712 -6.776 12.463 1.00 0.00 H new ATOM 1489 N ALA A 94 31.200 -10.308 14.218 1.00 0.00 N ATOM 1490 CA ALA A 94 32.013 -11.377 13.663 1.00 0.00 C ATOM 1491 C ALA A 94 31.779 -12.659 14.465 1.00 0.00 C ATOM 1492 O ALA A 94 32.695 -13.169 15.108 1.00 0.00 O ATOM 1493 CB ALA A 94 33.482 -10.951 13.659 1.00 0.00 C ATOM 0 H ALA A 94 31.729 -9.541 14.634 1.00 0.00 H new ATOM 0 HA ALA A 94 31.729 -11.579 12.630 1.00 0.00 H new ATOM 0 HB1 ALA A 94 34.092 -11.753 13.243 1.00 0.00 H new ATOM 0 HB2 ALA A 94 33.599 -10.053 13.052 1.00 0.00 H new ATOM 0 HB3 ALA A 94 33.803 -10.743 14.680 1.00 0.00 H new ATOM 1499 N GLN A 95 30.547 -13.143 14.400 1.00 0.00 N ATOM 1500 CA GLN A 95 30.182 -14.356 15.112 1.00 0.00 C ATOM 1501 C GLN A 95 30.919 -15.560 14.523 1.00 0.00 C ATOM 1502 O GLN A 95 31.969 -15.956 15.027 1.00 0.00 O ATOM 1503 CB GLN A 95 28.667 -14.573 15.083 1.00 0.00 C ATOM 1504 CG GLN A 95 28.296 -15.928 15.688 1.00 0.00 C ATOM 1505 CD GLN A 95 28.382 -15.890 17.215 1.00 0.00 C ATOM 1506 OE1 GLN A 95 28.026 -14.917 17.858 1.00 0.00 O ATOM 1507 NE2 GLN A 95 28.874 -17.000 17.757 1.00 0.00 N ATOM 0 H GLN A 95 29.790 -12.717 13.866 1.00 0.00 H new ATOM 0 HA GLN A 95 30.481 -14.246 16.154 1.00 0.00 H new ATOM 0 HB2 GLN A 95 28.171 -13.776 15.636 1.00 0.00 H new ATOM 0 HB3 GLN A 95 28.308 -14.519 14.055 1.00 0.00 H new ATOM 0 HG2 GLN A 95 27.286 -16.201 15.384 1.00 0.00 H new ATOM 0 HG3 GLN A 95 28.964 -16.698 15.302 1.00 0.00 H new ATOM 0 HE21 GLN A 95 29.153 -17.779 17.160 1.00 0.00 H new ATOM 0 HE22 GLN A 95 28.972 -17.073 18.770 1.00 0.00 H new ATOM 1516 N TYR A 96 30.341 -16.108 13.465 1.00 0.00 N ATOM 1517 CA TYR A 96 30.930 -17.259 12.802 1.00 0.00 C ATOM 1518 C TYR A 96 31.865 -16.822 11.672 1.00 0.00 C ATOM 1519 O TYR A 96 32.603 -17.638 11.121 1.00 0.00 O ATOM 1520 CB TYR A 96 29.762 -18.046 12.205 1.00 0.00 C ATOM 1521 CG TYR A 96 28.677 -18.414 13.219 1.00 0.00 C ATOM 1522 CD1 TYR A 96 28.910 -19.406 14.149 1.00 0.00 C ATOM 1523 CD2 TYR A 96 27.465 -17.754 13.203 1.00 0.00 C ATOM 1524 CE1 TYR A 96 27.889 -19.752 15.104 1.00 0.00 C ATOM 1525 CE2 TYR A 96 26.444 -18.100 14.157 1.00 0.00 C ATOM 1526 CZ TYR A 96 26.706 -19.082 15.060 1.00 0.00 C ATOM 1527 OH TYR A 96 25.741 -19.410 15.962 1.00 0.00 O ATOM 0 H TYR A 96 29.470 -15.776 13.050 1.00 0.00 H new ATOM 0 HA TYR A 96 31.515 -17.850 13.507 1.00 0.00 H new ATOM 0 HB2 TYR A 96 29.313 -17.458 11.405 1.00 0.00 H new ATOM 0 HB3 TYR A 96 30.147 -18.960 11.752 1.00 0.00 H new ATOM 0 HD1 TYR A 96 29.858 -19.923 14.161 1.00 0.00 H new ATOM 0 HD2 TYR A 96 27.283 -16.978 12.475 1.00 0.00 H new ATOM 0 HE1 TYR A 96 28.059 -20.526 15.838 1.00 0.00 H new ATOM 0 HE2 TYR A 96 25.491 -17.591 14.155 1.00 0.00 H new ATOM 0 HH TYR A 96 24.951 -18.850 15.814 1.00 0.00 H new ATOM 1537 N ASN A 97 31.804 -15.535 11.361 1.00 0.00 N ATOM 1538 CA ASN A 97 32.636 -14.980 10.307 1.00 0.00 C ATOM 1539 C ASN A 97 32.375 -13.477 10.196 1.00 0.00 C ATOM 1540 O ASN A 97 31.263 -13.015 10.451 1.00 0.00 O ATOM 1541 CB ASN A 97 32.310 -15.617 8.955 1.00 0.00 C ATOM 1542 CG ASN A 97 33.462 -16.503 8.474 1.00 0.00 C ATOM 1543 OD1 ASN A 97 34.504 -16.603 9.100 1.00 0.00 O ATOM 1544 ND2 ASN A 97 33.216 -17.136 7.331 1.00 0.00 N ATOM 0 H ASN A 97 31.191 -14.861 11.820 1.00 0.00 H new ATOM 0 HA ASN A 97 33.677 -15.181 10.559 1.00 0.00 H new ATOM 0 HB2 ASN A 97 31.400 -16.211 9.039 1.00 0.00 H new ATOM 0 HB3 ASN A 97 32.115 -14.837 8.219 1.00 0.00 H new ATOM 0 HD21 ASN A 97 33.922 -17.751 6.926 1.00 0.00 H new ATOM 0 HD22 ASN A 97 32.321 -17.007 6.859 1.00 0.00 H new ATOM 1551 N PRO A 98 33.445 -12.735 9.805 1.00 0.00 N ATOM 1552 CA PRO A 98 33.343 -11.293 9.657 1.00 0.00 C ATOM 1553 C PRO A 98 32.579 -10.925 8.383 1.00 0.00 C ATOM 1554 O PRO A 98 33.029 -10.083 7.607 1.00 0.00 O ATOM 1555 CB PRO A 98 34.779 -10.795 9.653 1.00 0.00 C ATOM 1556 CG PRO A 98 35.639 -12.006 9.332 1.00 0.00 C ATOM 1557 CD PRO A 98 34.777 -13.247 9.494 1.00 0.00 C ATOM 0 HA PRO A 98 32.776 -10.827 10.463 1.00 0.00 H new ATOM 0 HB2 PRO A 98 34.918 -10.009 8.910 1.00 0.00 H new ATOM 0 HB3 PRO A 98 35.048 -10.370 10.620 1.00 0.00 H new ATOM 0 HG2 PRO A 98 36.026 -11.940 8.315 1.00 0.00 H new ATOM 0 HG3 PRO A 98 36.500 -12.050 9.999 1.00 0.00 H new ATOM 0 HD2 PRO A 98 34.769 -13.845 8.583 1.00 0.00 H new ATOM 0 HD3 PRO A 98 35.151 -13.888 10.292 1.00 0.00 H new ATOM 1565 N LYS A 99 31.438 -11.575 8.208 1.00 0.00 N ATOM 1566 CA LYS A 99 30.608 -11.326 7.041 1.00 0.00 C ATOM 1567 C LYS A 99 30.305 -9.830 6.946 1.00 0.00 C ATOM 1568 O LYS A 99 30.297 -9.263 5.854 1.00 0.00 O ATOM 1569 CB LYS A 99 29.356 -12.206 7.078 1.00 0.00 C ATOM 1570 CG LYS A 99 28.654 -12.104 8.433 1.00 0.00 C ATOM 1571 CD LYS A 99 28.093 -13.462 8.863 1.00 0.00 C ATOM 1572 CE LYS A 99 26.737 -13.301 9.552 1.00 0.00 C ATOM 1573 NZ LYS A 99 26.739 -13.981 10.867 1.00 0.00 N ATOM 0 H LYS A 99 31.069 -12.273 8.854 1.00 0.00 H new ATOM 0 HA LYS A 99 31.138 -11.602 6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 99 28.671 -11.903 6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 99 29.630 -13.243 6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 99 29.356 -11.742 9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 99 27.846 -11.375 8.374 1.00 0.00 H new ATOM 0 HD2 LYS A 99 27.988 -14.109 7.992 1.00 0.00 H new ATOM 0 HD3 LYS A 99 28.793 -13.951 9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 99 26.513 -12.242 9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 99 25.951 -13.717 8.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 25.759 -14.146 11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 27.234 -14.892 10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 27.225 -13.384 11.566 1.00 0.00 H new ATOM 1587 N LEU A 100 30.063 -9.232 8.103 1.00 0.00 N ATOM 1588 CA LEU A 100 29.760 -7.812 8.163 1.00 0.00 C ATOM 1589 C LEU A 100 30.730 -7.129 9.130 1.00 0.00 C ATOM 1590 O LEU A 100 31.673 -6.465 8.703 1.00 0.00 O ATOM 1591 CB LEU A 100 28.287 -7.593 8.512 1.00 0.00 C ATOM 1592 CG LEU A 100 27.753 -6.174 8.305 1.00 0.00 C ATOM 1593 CD1 LEU A 100 26.429 -6.193 7.538 1.00 0.00 C ATOM 1594 CD2 LEU A 100 27.632 -5.434 9.639 1.00 0.00 C ATOM 0 H LEU A 100 30.071 -9.705 9.007 1.00 0.00 H new ATOM 0 HA LEU A 100 29.904 -7.350 7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 100 27.686 -8.277 7.912 1.00 0.00 H new ATOM 0 HB3 LEU A 100 28.137 -7.868 9.556 1.00 0.00 H new ATOM 0 HG LEU A 100 28.470 -5.624 7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 100 26.071 -5.172 7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 100 26.580 -6.655 6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 100 25.691 -6.765 8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 100 27.250 -4.428 9.464 1.00 0.00 H new ATOM 0 HD22 LEU A 100 26.947 -5.973 10.293 1.00 0.00 H new ATOM 0 HD23 LEU A 100 28.612 -5.373 10.111 1.00 0.00 H new ATOM 1606 N ASP A 101 30.464 -7.316 10.415 1.00 0.00 N ATOM 1607 CA ASP A 101 31.301 -6.726 11.446 1.00 0.00 C ATOM 1608 C ASP A 101 31.895 -5.415 10.926 1.00 0.00 C ATOM 1609 O ASP A 101 33.107 -5.308 10.743 1.00 0.00 O ATOM 1610 CB ASP A 101 32.458 -7.656 11.815 1.00 0.00 C ATOM 1611 CG ASP A 101 33.501 -7.049 12.756 1.00 0.00 C ATOM 1612 OD1 ASP A 101 33.360 -5.905 13.212 1.00 0.00 O ATOM 1613 OD2 ASP A 101 34.506 -7.813 13.020 1.00 0.00 O ATOM 0 H ASP A 101 29.681 -7.868 10.765 1.00 0.00 H new ATOM 0 HA ASP A 101 30.682 -6.555 12.326 1.00 0.00 H new ATOM 0 HB2 ASP A 101 32.049 -8.553 12.280 1.00 0.00 H new ATOM 0 HB3 ASP A 101 32.957 -7.971 10.899 1.00 0.00 H new ATOM 1619 N VAL A 102 31.015 -4.451 10.702 1.00 0.00 N ATOM 1620 CA VAL A 102 31.437 -3.152 10.207 1.00 0.00 C ATOM 1621 C VAL A 102 30.579 -2.061 10.852 1.00 0.00 C ATOM 1622 O VAL A 102 30.654 -0.897 10.464 1.00 0.00 O ATOM 1623 CB VAL A 102 31.381 -3.131 8.678 1.00 0.00 C ATOM 1624 CG1 VAL A 102 32.693 -3.636 8.074 1.00 0.00 C ATOM 1625 CG2 VAL A 102 30.191 -3.943 8.163 1.00 0.00 C ATOM 0 H VAL A 102 30.011 -4.543 10.854 1.00 0.00 H new ATOM 0 HA VAL A 102 32.473 -2.956 10.484 1.00 0.00 H new ATOM 0 HB VAL A 102 31.244 -2.097 8.361 1.00 0.00 H new ATOM 0 HG11 VAL A 102 32.626 -3.611 6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 102 33.514 -2.998 8.402 1.00 0.00 H new ATOM 0 HG13 VAL A 102 32.875 -4.659 8.403 1.00 0.00 H new ATOM 0 HG21 VAL A 102 30.174 -3.912 7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 102 30.285 -4.977 8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 102 29.265 -3.519 8.553 1.00 0.00 H new ATOM 1635 N LYS A 103 29.784 -2.478 11.827 1.00 0.00 N ATOM 1636 CA LYS A 103 28.913 -1.551 12.529 1.00 0.00 C ATOM 1637 C LYS A 103 27.685 -1.257 11.665 1.00 0.00 C ATOM 1638 O LYS A 103 27.681 -1.542 10.469 1.00 0.00 O ATOM 1639 CB LYS A 103 29.687 -0.298 12.944 1.00 0.00 C ATOM 1640 CG LYS A 103 29.020 0.388 14.138 1.00 0.00 C ATOM 1641 CD LYS A 103 28.802 -0.599 15.286 1.00 0.00 C ATOM 1642 CE LYS A 103 27.317 -0.719 15.631 1.00 0.00 C ATOM 1643 NZ LYS A 103 26.820 -2.077 15.318 1.00 0.00 N ATOM 0 H LYS A 103 29.725 -3.445 12.147 1.00 0.00 H new ATOM 0 HA LYS A 103 28.552 -1.996 13.456 1.00 0.00 H new ATOM 0 HB2 LYS A 103 30.712 -0.567 13.201 1.00 0.00 H new ATOM 0 HB3 LYS A 103 29.740 0.395 12.105 1.00 0.00 H new ATOM 0 HG2 LYS A 103 29.641 1.217 14.479 1.00 0.00 H new ATOM 0 HG3 LYS A 103 28.064 0.811 13.831 1.00 0.00 H new ATOM 0 HD2 LYS A 103 29.195 -1.577 15.009 1.00 0.00 H new ATOM 0 HD3 LYS A 103 29.358 -0.270 16.164 1.00 0.00 H new ATOM 0 HE2 LYS A 103 27.165 -0.505 16.689 1.00 0.00 H new ATOM 0 HE3 LYS A 103 26.746 0.022 15.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 26.032 -2.011 14.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 27.588 -2.640 14.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 26.491 -2.536 16.191 1.00 0.00 H new ATOM 1657 N LEU A 104 26.672 -0.691 12.305 1.00 0.00 N ATOM 1658 CA LEU A 104 25.441 -0.356 11.610 1.00 0.00 C ATOM 1659 C LEU A 104 24.672 0.690 12.420 1.00 0.00 C ATOM 1660 O LEU A 104 23.448 0.769 12.335 1.00 0.00 O ATOM 1661 CB LEU A 104 24.632 -1.621 11.314 1.00 0.00 C ATOM 1662 CG LEU A 104 23.757 -2.140 12.457 1.00 0.00 C ATOM 1663 CD1 LEU A 104 22.284 -2.177 12.047 1.00 0.00 C ATOM 1664 CD2 LEU A 104 24.250 -3.503 12.948 1.00 0.00 C ATOM 0 H LEU A 104 26.679 -0.456 13.298 1.00 0.00 H new ATOM 0 HA LEU A 104 25.660 0.089 10.639 1.00 0.00 H new ATOM 0 HB2 LEU A 104 23.993 -1.426 10.453 1.00 0.00 H new ATOM 0 HB3 LEU A 104 25.324 -2.412 11.025 1.00 0.00 H new ATOM 0 HG LEU A 104 23.840 -1.446 13.294 1.00 0.00 H new ATOM 0 HD11 LEU A 104 21.684 -2.550 12.878 1.00 0.00 H new ATOM 0 HD12 LEU A 104 21.954 -1.172 11.784 1.00 0.00 H new ATOM 0 HD13 LEU A 104 22.162 -2.836 11.187 1.00 0.00 H new ATOM 0 HD21 LEU A 104 23.611 -3.850 13.760 1.00 0.00 H new ATOM 0 HD22 LEU A 104 24.215 -4.220 12.128 1.00 0.00 H new ATOM 0 HD23 LEU A 104 25.275 -3.412 13.306 1.00 0.00 H new ATOM 1676 N LEU A 105 25.423 1.468 13.185 1.00 0.00 N ATOM 1677 CA LEU A 105 24.828 2.507 14.009 1.00 0.00 C ATOM 1678 C LEU A 105 24.839 3.830 13.241 1.00 0.00 C ATOM 1679 O LEU A 105 24.381 4.851 13.750 1.00 0.00 O ATOM 1680 CB LEU A 105 25.526 2.579 15.368 1.00 0.00 C ATOM 1681 CG LEU A 105 26.968 3.091 15.356 1.00 0.00 C ATOM 1682 CD1 LEU A 105 27.013 4.592 15.060 1.00 0.00 C ATOM 1683 CD2 LEU A 105 27.685 2.743 16.662 1.00 0.00 C ATOM 0 H LEU A 105 26.439 1.400 13.252 1.00 0.00 H new ATOM 0 HA LEU A 105 23.786 2.272 14.224 1.00 0.00 H new ATOM 0 HB2 LEU A 105 24.938 3.223 16.022 1.00 0.00 H new ATOM 0 HB3 LEU A 105 25.519 1.583 15.811 1.00 0.00 H new ATOM 0 HG LEU A 105 27.503 2.587 14.551 1.00 0.00 H new ATOM 0 HD11 LEU A 105 28.049 4.931 15.057 1.00 0.00 H new ATOM 0 HD12 LEU A 105 26.565 4.784 14.085 1.00 0.00 H new ATOM 0 HD13 LEU A 105 26.457 5.131 15.827 1.00 0.00 H new ATOM 0 HD21 LEU A 105 28.708 3.118 16.627 1.00 0.00 H new ATOM 0 HD22 LEU A 105 27.159 3.201 17.499 1.00 0.00 H new ATOM 0 HD23 LEU A 105 27.700 1.661 16.792 1.00 0.00 H new ATOM 1695 N TYR A 106 25.369 3.769 12.028 1.00 0.00 N ATOM 1696 CA TYR A 106 25.446 4.950 11.185 1.00 0.00 C ATOM 1697 C TYR A 106 24.774 4.703 9.833 1.00 0.00 C ATOM 1698 O TYR A 106 25.450 4.580 8.812 1.00 0.00 O ATOM 1699 CB TYR A 106 26.936 5.210 10.960 1.00 0.00 C ATOM 1700 CG TYR A 106 27.253 6.620 10.456 1.00 0.00 C ATOM 1701 CD1 TYR A 106 27.014 7.712 11.266 1.00 0.00 C ATOM 1702 CD2 TYR A 106 27.777 6.800 9.192 1.00 0.00 C ATOM 1703 CE1 TYR A 106 27.311 9.039 10.792 1.00 0.00 C ATOM 1704 CE2 TYR A 106 28.074 8.127 8.718 1.00 0.00 C ATOM 1705 CZ TYR A 106 27.827 9.181 9.541 1.00 0.00 C ATOM 1706 OH TYR A 106 28.108 10.434 9.094 1.00 0.00 O ATOM 0 H TYR A 106 25.749 2.920 11.609 1.00 0.00 H new ATOM 0 HA TYR A 106 24.941 5.793 11.657 1.00 0.00 H new ATOM 0 HB2 TYR A 106 27.469 5.041 11.896 1.00 0.00 H new ATOM 0 HB3 TYR A 106 27.316 4.484 10.241 1.00 0.00 H new ATOM 0 HD1 TYR A 106 26.604 7.571 12.255 1.00 0.00 H new ATOM 0 HD2 TYR A 106 27.964 5.946 8.558 1.00 0.00 H new ATOM 0 HE1 TYR A 106 27.128 9.902 11.415 1.00 0.00 H new ATOM 0 HE2 TYR A 106 28.484 8.282 7.731 1.00 0.00 H new ATOM 0 HH TYR A 106 28.472 10.383 8.185 1.00 0.00 H new ATOM 1716 N PRO A 107 23.416 4.636 9.870 1.00 0.00 N ATOM 1717 CA PRO A 107 22.645 4.407 8.660 1.00 0.00 C ATOM 1718 C PRO A 107 22.594 5.667 7.794 1.00 0.00 C ATOM 1719 O PRO A 107 22.547 6.781 8.315 1.00 0.00 O ATOM 1720 CB PRO A 107 21.274 3.964 9.145 1.00 0.00 C ATOM 1721 CG PRO A 107 21.182 4.407 10.596 1.00 0.00 C ATOM 1722 CD PRO A 107 22.582 4.778 11.059 1.00 0.00 C ATOM 0 HA PRO A 107 23.090 3.648 8.016 1.00 0.00 H new ATOM 0 HB2 PRO A 107 20.483 4.417 8.547 1.00 0.00 H new ATOM 0 HB3 PRO A 107 21.159 2.883 9.059 1.00 0.00 H new ATOM 0 HG2 PRO A 107 20.509 5.259 10.693 1.00 0.00 H new ATOM 0 HG3 PRO A 107 20.775 3.607 11.214 1.00 0.00 H new ATOM 0 HD2 PRO A 107 22.614 5.797 11.446 1.00 0.00 H new ATOM 0 HD3 PRO A 107 22.921 4.122 11.861 1.00 0.00 H new ATOM 1730 N VAL A 108 22.605 5.450 6.487 1.00 0.00 N ATOM 1731 CA VAL A 108 22.561 6.554 5.544 1.00 0.00 C ATOM 1732 C VAL A 108 21.321 7.407 5.822 1.00 0.00 C ATOM 1733 O VAL A 108 21.355 8.627 5.665 1.00 0.00 O ATOM 1734 CB VAL A 108 22.610 6.021 4.111 1.00 0.00 C ATOM 1735 CG1 VAL A 108 22.130 7.080 3.116 1.00 0.00 C ATOM 1736 CG2 VAL A 108 24.015 5.532 3.756 1.00 0.00 C ATOM 0 H VAL A 108 22.644 4.525 6.059 1.00 0.00 H new ATOM 0 HA VAL A 108 23.433 7.196 5.668 1.00 0.00 H new ATOM 0 HB VAL A 108 21.933 5.169 4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 108 22.175 6.676 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 108 21.103 7.360 3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 108 22.770 7.960 3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 108 24.022 5.158 2.732 1.00 0.00 H new ATOM 0 HG22 VAL A 108 24.721 6.357 3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 108 24.304 4.731 4.437 1.00 0.00 H new ATOM 1746 N SER A 109 20.257 6.732 6.231 1.00 0.00 N ATOM 1747 CA SER A 109 19.009 7.413 6.532 1.00 0.00 C ATOM 1748 C SER A 109 18.703 8.449 5.449 1.00 0.00 C ATOM 1749 O SER A 109 18.308 9.573 5.754 1.00 0.00 O ATOM 1750 CB SER A 109 19.066 8.084 7.906 1.00 0.00 C ATOM 1751 OG SER A 109 17.886 8.834 8.184 1.00 0.00 O ATOM 0 H SER A 109 20.233 5.721 6.361 1.00 0.00 H new ATOM 0 HA SER A 109 18.211 6.671 6.552 1.00 0.00 H new ATOM 0 HB2 SER A 109 19.202 7.324 8.675 1.00 0.00 H new ATOM 0 HB3 SER A 109 19.933 8.743 7.952 1.00 0.00 H new ATOM 0 HG SER A 109 17.684 9.419 7.424 1.00 0.00 H new ATOM 1757 N LYS A 110 18.897 8.033 4.206 1.00 0.00 N ATOM 1758 CA LYS A 110 18.646 8.911 3.075 1.00 0.00 C ATOM 1759 C LYS A 110 19.270 10.280 3.350 1.00 0.00 C ATOM 1760 O LYS A 110 18.642 11.140 3.965 1.00 0.00 O ATOM 1761 CB LYS A 110 17.149 8.968 2.763 1.00 0.00 C ATOM 1762 CG LYS A 110 16.843 10.072 1.749 1.00 0.00 C ATOM 1763 CD LYS A 110 17.351 9.693 0.356 1.00 0.00 C ATOM 1764 CE LYS A 110 17.519 10.935 -0.523 1.00 0.00 C ATOM 1765 NZ LYS A 110 18.951 11.276 -0.669 1.00 0.00 N ATOM 0 H LYS A 110 19.225 7.100 3.957 1.00 0.00 H new ATOM 0 HA LYS A 110 19.120 8.519 2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 110 16.819 8.006 2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 110 16.589 9.147 3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 110 15.768 10.249 1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 110 17.309 11.004 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 110 18.305 9.172 0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 110 16.652 9.002 -0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 110 17.080 10.755 -1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 110 16.982 11.775 -0.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 19.096 12.276 -0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 19.517 10.678 -0.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 19.248 11.114 -1.652 1.00 0.00 H new ATOM 1779 N TYR A 111 20.499 10.440 2.881 1.00 0.00 N ATOM 1780 CA TYR A 111 21.215 11.691 3.069 1.00 0.00 C ATOM 1781 C TYR A 111 20.283 12.889 2.880 1.00 0.00 C ATOM 1782 O TYR A 111 20.229 13.473 1.798 1.00 0.00 O ATOM 1783 CB TYR A 111 22.296 11.724 1.988 1.00 0.00 C ATOM 1784 CG TYR A 111 23.506 12.590 2.344 1.00 0.00 C ATOM 1785 CD1 TYR A 111 23.350 13.948 2.536 1.00 0.00 C ATOM 1786 CD2 TYR A 111 24.753 12.013 2.474 1.00 0.00 C ATOM 1787 CE1 TYR A 111 24.489 14.763 2.871 1.00 0.00 C ATOM 1788 CE2 TYR A 111 25.892 12.828 2.809 1.00 0.00 C ATOM 1789 CZ TYR A 111 25.704 14.163 2.991 1.00 0.00 C ATOM 1790 OH TYR A 111 26.779 14.933 3.308 1.00 0.00 O ATOM 0 H TYR A 111 21.017 9.724 2.371 1.00 0.00 H new ATOM 0 HA TYR A 111 21.629 11.750 4.076 1.00 0.00 H new ATOM 0 HB2 TYR A 111 22.635 10.706 1.796 1.00 0.00 H new ATOM 0 HB3 TYR A 111 21.857 12.094 1.061 1.00 0.00 H new ATOM 0 HD1 TYR A 111 22.374 14.399 2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 111 24.875 10.950 2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 111 24.381 15.827 3.024 1.00 0.00 H new ATOM 0 HE2 TYR A 111 26.873 12.389 2.913 1.00 0.00 H new ATOM 0 HH TYR A 111 27.580 14.371 3.361 1.00 0.00 H new TER 1800 TYR A 111 ATOM 1801 N GLU B 1 32.969 -4.955 -4.959 1.00 0.00 N ATOM 1802 CA GLU B 1 31.788 -4.241 -5.413 1.00 0.00 C ATOM 1803 C GLU B 1 30.716 -4.239 -4.322 1.00 0.00 C ATOM 1804 O GLU B 1 30.954 -4.713 -3.213 1.00 0.00 O ATOM 1805 CB GLU B 1 31.248 -4.844 -6.712 1.00 0.00 C ATOM 1806 CG GLU B 1 32.183 -4.544 -7.886 1.00 0.00 C ATOM 1807 CD GLU B 1 31.573 -3.495 -8.818 1.00 0.00 C ATOM 1808 OE1 GLU B 1 30.444 -3.676 -9.300 1.00 0.00 O ATOM 1809 OE2 GLU B 1 32.314 -2.462 -9.036 1.00 0.00 O ATOM 0 H1 GLU B 1 33.797 -4.329 -5.017 1.00 0.00 H new ATOM 0 H2 GLU B 1 32.834 -5.259 -3.974 1.00 0.00 H new ATOM 0 H3 GLU B 1 33.123 -5.789 -5.561 1.00 0.00 H new ATOM 0 HA GLU B 1 32.069 -3.208 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU B 1 31.136 -5.922 -6.598 1.00 0.00 H new ATOM 0 HB3 GLU B 1 30.257 -4.441 -6.920 1.00 0.00 H new ATOM 0 HG2 GLU B 1 33.142 -4.188 -7.510 1.00 0.00 H new ATOM 0 HG3 GLU B 1 32.379 -5.460 -8.443 1.00 0.00 H new ATOM 1818 N GLU B 2 29.558 -3.700 -4.675 1.00 0.00 N ATOM 1819 CA GLU B 2 28.449 -3.630 -3.740 1.00 0.00 C ATOM 1820 C GLU B 2 27.234 -4.373 -4.300 1.00 0.00 C ATOM 1821 O GLU B 2 26.162 -3.791 -4.454 1.00 0.00 O ATOM 1822 CB GLU B 2 28.099 -2.177 -3.412 1.00 0.00 C ATOM 1823 CG GLU B 2 28.180 -1.298 -4.661 1.00 0.00 C ATOM 1824 CD GLU B 2 27.045 -1.621 -5.634 1.00 0.00 C ATOM 1825 OE1 GLU B 2 25.865 -1.480 -5.280 1.00 0.00 O ATOM 1826 OE2 GLU B 2 27.424 -2.032 -6.797 1.00 0.00 O ATOM 0 H GLU B 2 29.364 -3.308 -5.596 1.00 0.00 H new ATOM 0 HA GLU B 2 28.751 -4.115 -2.812 1.00 0.00 H new ATOM 0 HB2 GLU B 2 27.094 -2.127 -2.992 1.00 0.00 H new ATOM 0 HB3 GLU B 2 28.781 -1.798 -2.651 1.00 0.00 H new ATOM 0 HG2 GLU B 2 28.130 -0.248 -4.374 1.00 0.00 H new ATOM 0 HG3 GLU B 2 29.140 -1.449 -5.154 1.00 0.00 H new ATOM 1834 N GLU B 3 27.444 -5.649 -4.591 1.00 0.00 N ATOM 1835 CA GLU B 3 26.379 -6.478 -5.131 1.00 0.00 C ATOM 1836 C GLU B 3 25.416 -6.896 -4.018 1.00 0.00 C ATOM 1837 O GLU B 3 24.835 -6.047 -3.343 1.00 0.00 O ATOM 1838 CB GLU B 3 26.949 -7.701 -5.851 1.00 0.00 C ATOM 1839 CG GLU B 3 27.879 -7.282 -6.992 1.00 0.00 C ATOM 1840 CD GLU B 3 28.933 -8.358 -7.264 1.00 0.00 C ATOM 1841 OE1 GLU B 3 29.823 -8.579 -6.430 1.00 0.00 O ATOM 1842 OE2 GLU B 3 28.803 -8.976 -8.389 1.00 0.00 O ATOM 0 H GLU B 3 28.335 -6.129 -4.463 1.00 0.00 H new ATOM 0 HA GLU B 3 25.824 -5.892 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU B 3 27.495 -8.323 -5.142 1.00 0.00 H new ATOM 0 HB3 GLU B 3 26.134 -8.308 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU B 3 27.295 -7.103 -7.895 1.00 0.00 H new ATOM 0 HG3 GLU B 3 28.370 -6.342 -6.739 1.00 0.00 H new HETATM 1850 N PTR B 4 25.275 -8.204 -3.861 1.00 0.00 N HETATM 1851 CA PTR B 4 24.392 -8.745 -2.842 1.00 0.00 C HETATM 1852 C PTR B 4 25.033 -9.946 -2.143 1.00 0.00 C HETATM 1853 O PTR B 4 25.350 -10.946 -2.785 1.00 0.00 O HETATM 1854 CB PTR B 4 23.134 -9.210 -3.578 1.00 0.00 C HETATM 1855 CG PTR B 4 22.480 -8.126 -4.438 1.00 0.00 C HETATM 1856 CD1 PTR B 4 22.375 -6.836 -3.959 1.00 0.00 C HETATM 1857 CD2 PTR B 4 21.995 -8.439 -5.691 1.00 0.00 C HETATM 1858 CE1 PTR B 4 21.759 -5.816 -4.768 1.00 0.00 C HETATM 1859 CE2 PTR B 4 21.379 -7.419 -6.500 1.00 0.00 C HETATM 1860 CZ PTR B 4 21.291 -6.158 -5.998 1.00 0.00 C HETATM 1861 OH PTR B 4 20.710 -5.195 -6.762 1.00 0.00 O HETATM 1862 P PTR B 4 20.227 -4.391 -8.084 1.00 0.00 P HETATM 1863 O1P PTR B 4 21.383 -3.625 -8.652 1.00 0.00 O HETATM 1864 O2P PTR B 4 19.041 -3.362 -7.685 1.00 0.00 O HETATM 1865 O3P PTR B 4 19.721 -5.367 -9.105 1.00 0.00 O HETATM 0 HE2 PTR B 4 20.992 -7.652 -7.492 1.00 0.00 H new HETATM 0 HE1 PTR B 4 21.670 -4.793 -4.403 1.00 0.00 H new HETATM 0 HD2 PTR B 4 22.078 -9.458 -6.069 1.00 0.00 H new HETATM 0 HD1 PTR B 4 22.758 -6.589 -2.969 1.00 0.00 H new HETATM 0 HB3 PTR B 4 23.390 -10.058 -4.213 1.00 0.00 H new HETATM 0 HB2 PTR B 4 22.408 -9.566 -2.847 1.00 0.00 H new HETATM 0 HA PTR B 4 24.178 -7.994 -2.081 1.00 0.00 H new HETATM 0 H PTR B 4 26.187 -8.630 -4.024 1.00 0.00 H new ATOM 1875 N MET B 5 25.203 -9.808 -0.837 1.00 0.00 N ATOM 1876 CA MET B 5 25.800 -10.869 -0.043 1.00 0.00 C ATOM 1877 C MET B 5 24.874 -11.285 1.101 1.00 0.00 C ATOM 1878 O MET B 5 24.502 -10.461 1.935 1.00 0.00 O ATOM 1879 CB MET B 5 27.135 -10.389 0.529 1.00 0.00 C ATOM 1880 CG MET B 5 27.083 -10.317 2.057 1.00 0.00 C ATOM 1881 SD MET B 5 28.716 -10.014 2.711 1.00 0.00 S ATOM 1882 CE MET B 5 28.385 -8.577 3.717 1.00 0.00 C ATOM 0 H MET B 5 24.938 -8.977 -0.308 1.00 0.00 H new ATOM 0 HA MET B 5 25.961 -11.733 -0.688 1.00 0.00 H new ATOM 0 HB2 MET B 5 27.931 -11.066 0.220 1.00 0.00 H new ATOM 0 HB3 MET B 5 27.376 -9.407 0.123 1.00 0.00 H new ATOM 0 HG2 MET B 5 26.405 -9.523 2.369 1.00 0.00 H new ATOM 0 HG3 MET B 5 26.688 -11.250 2.460 1.00 0.00 H new ATOM 0 HE1 MET B 5 29.191 -7.853 3.594 1.00 0.00 H new ATOM 0 HE2 MET B 5 27.442 -8.126 3.408 1.00 0.00 H new ATOM 0 HE3 MET B 5 28.320 -8.873 4.764 1.00 0.00 H new ATOM 1892 N PRO B 6 24.519 -12.598 1.104 1.00 0.00 N ATOM 1893 CA PRO B 6 23.643 -13.134 2.132 1.00 0.00 C ATOM 1894 C PRO B 6 24.389 -13.297 3.458 1.00 0.00 C ATOM 1895 O PRO B 6 25.242 -14.173 3.591 1.00 0.00 O ATOM 1896 CB PRO B 6 23.136 -14.452 1.570 1.00 0.00 C ATOM 1897 CG PRO B 6 24.102 -14.829 0.457 1.00 0.00 C ATOM 1898 CD PRO B 6 24.940 -13.603 0.133 1.00 0.00 C ATOM 0 HA PRO B 6 22.811 -12.469 2.364 1.00 0.00 H new ATOM 0 HB2 PRO B 6 23.110 -15.221 2.342 1.00 0.00 H new ATOM 0 HB3 PRO B 6 22.120 -14.349 1.188 1.00 0.00 H new ATOM 0 HG2 PRO B 6 24.740 -15.656 0.769 1.00 0.00 H new ATOM 0 HG3 PRO B 6 23.556 -15.163 -0.426 1.00 0.00 H new ATOM 0 HD2 PRO B 6 26.005 -13.817 0.221 1.00 0.00 H new ATOM 0 HD3 PRO B 6 24.767 -13.264 -0.888 1.00 0.00 H new ATOM 1906 N MET B 7 24.041 -12.438 4.405 1.00 0.00 N ATOM 1907 CA MET B 7 24.667 -12.476 5.716 1.00 0.00 C ATOM 1908 C MET B 7 24.296 -11.239 6.536 1.00 0.00 C ATOM 1909 O MET B 7 24.016 -10.180 5.977 1.00 0.00 O ATOM 1910 CB MET B 7 26.187 -12.545 5.554 1.00 0.00 C ATOM 1911 CG MET B 7 26.745 -11.213 5.049 1.00 0.00 C ATOM 1912 SD MET B 7 26.904 -10.064 6.406 1.00 0.00 S ATOM 1913 CE MET B 7 26.173 -8.612 5.669 1.00 0.00 C ATOM 0 H MET B 7 23.334 -11.712 4.291 1.00 0.00 H new ATOM 0 HA MET B 7 24.309 -13.360 6.244 1.00 0.00 H new ATOM 0 HB2 MET B 7 26.647 -12.797 6.509 1.00 0.00 H new ATOM 0 HB3 MET B 7 26.446 -13.340 4.855 1.00 0.00 H new ATOM 0 HG2 MET B 7 27.716 -11.371 4.579 1.00 0.00 H new ATOM 0 HG3 MET B 7 26.086 -10.799 4.286 1.00 0.00 H new ATOM 0 HE1 MET B 7 26.917 -7.817 5.616 1.00 0.00 H new ATOM 0 HE2 MET B 7 25.825 -8.850 4.664 1.00 0.00 H new ATOM 0 HE3 MET B 7 25.330 -8.281 6.276 1.00 0.00 H new ATOM 1923 N GLU B 8 24.307 -11.414 7.850 1.00 0.00 N ATOM 1924 CA GLU B 8 23.976 -10.325 8.753 1.00 0.00 C ATOM 1925 C GLU B 8 23.936 -10.827 10.197 1.00 0.00 C ATOM 1926 O GLU B 8 24.976 -10.967 10.839 1.00 0.00 O ATOM 1927 CB GLU B 8 22.648 -9.674 8.362 1.00 0.00 C ATOM 1928 CG GLU B 8 22.251 -8.592 9.368 1.00 0.00 C ATOM 1929 CD GLU B 8 21.132 -7.709 8.811 1.00 0.00 C ATOM 1930 OE1 GLU B 8 21.322 -6.493 8.653 1.00 0.00 O ATOM 1931 OE2 GLU B 8 20.034 -8.328 8.537 1.00 0.00 O ATOM 0 H GLU B 8 24.540 -12.294 8.310 1.00 0.00 H new ATOM 0 HA GLU B 8 24.753 -9.565 8.675 1.00 0.00 H new ATOM 0 HB2 GLU B 8 22.732 -9.237 7.367 1.00 0.00 H new ATOM 0 HB3 GLU B 8 21.867 -10.433 8.312 1.00 0.00 H new ATOM 0 HG2 GLU B 8 21.923 -9.057 10.298 1.00 0.00 H new ATOM 0 HG3 GLU B 8 23.119 -7.977 9.608 1.00 0.00 H new ATOM 1939 N ASP B 9 22.724 -11.084 10.668 1.00 0.00 N ATOM 1940 CA ASP B 9 22.535 -11.568 12.025 1.00 0.00 C ATOM 1941 C ASP B 9 22.775 -10.421 13.008 1.00 0.00 C ATOM 1942 O ASP B 9 23.822 -9.777 12.973 1.00 0.00 O ATOM 1943 CB ASP B 9 23.524 -12.687 12.354 1.00 0.00 C ATOM 1944 CG ASP B 9 22.965 -13.808 13.232 1.00 0.00 C ATOM 1945 OD1 ASP B 9 22.807 -14.953 12.784 1.00 0.00 O ATOM 1946 OD2 ASP B 9 22.682 -13.462 14.443 1.00 0.00 O ATOM 0 H ASP B 9 21.863 -10.966 10.134 1.00 0.00 H new ATOM 0 HA ASP B 9 21.518 -11.951 12.108 1.00 0.00 H new ATOM 0 HB2 ASP B 9 23.881 -13.121 11.420 1.00 0.00 H new ATOM 0 HB3 ASP B 9 24.389 -12.251 12.854 1.00 0.00 H new ATOM 1952 N LEU B 10 21.787 -10.200 13.863 1.00 0.00 N ATOM 1953 CA LEU B 10 21.878 -9.142 14.855 1.00 0.00 C ATOM 1954 C LEU B 10 23.318 -9.046 15.362 1.00 0.00 C ATOM 1955 O LEU B 10 23.962 -10.064 15.611 1.00 0.00 O ATOM 1956 CB LEU B 10 20.848 -9.358 15.965 1.00 0.00 C ATOM 1957 CG LEU B 10 21.194 -10.431 17.000 1.00 0.00 C ATOM 1958 CD1 LEU B 10 20.514 -10.140 18.340 1.00 0.00 C ATOM 1959 CD2 LEU B 10 20.854 -11.828 16.477 1.00 0.00 C ATOM 0 H LEU B 10 20.919 -10.736 13.889 1.00 0.00 H new ATOM 0 HA LEU B 10 21.633 -8.179 14.408 1.00 0.00 H new ATOM 0 HB2 LEU B 10 20.701 -8.412 16.486 1.00 0.00 H new ATOM 0 HB3 LEU B 10 19.895 -9.619 15.504 1.00 0.00 H new ATOM 0 HG LEU B 10 22.270 -10.405 17.172 1.00 0.00 H new ATOM 0 HD11 LEU B 10 20.776 -10.917 19.058 1.00 0.00 H new ATOM 0 HD12 LEU B 10 20.848 -9.172 18.715 1.00 0.00 H new ATOM 0 HD13 LEU B 10 19.433 -10.123 18.203 1.00 0.00 H new ATOM 0 HD21 LEU B 10 21.110 -12.571 17.232 1.00 0.00 H new ATOM 0 HD22 LEU B 10 19.788 -11.885 16.258 1.00 0.00 H new ATOM 0 HD23 LEU B 10 21.422 -12.024 15.568 1.00 0.00 H new HETATM 1971 N PTR B 11 23.783 -7.813 15.499 1.00 0.00 N HETATM 1972 CA PTR B 11 25.135 -7.570 15.972 1.00 0.00 C HETATM 1973 C PTR B 11 25.487 -8.507 17.130 1.00 0.00 C HETATM 1974 O PTR B 11 26.493 -9.212 17.079 1.00 0.00 O HETATM 1975 CB PTR B 11 25.153 -6.126 16.476 1.00 0.00 C HETATM 1976 CG PTR B 11 26.464 -5.387 16.199 1.00 0.00 C HETATM 1977 CD1 PTR B 11 27.004 -5.394 14.929 1.00 0.00 C HETATM 1978 CD2 PTR B 11 27.105 -4.712 17.218 1.00 0.00 C HETATM 1979 CE1 PTR B 11 28.238 -4.698 14.668 1.00 0.00 C HETATM 1980 CE2 PTR B 11 28.338 -4.016 16.957 1.00 0.00 C HETATM 1981 CZ PTR B 11 28.843 -4.043 15.695 1.00 0.00 C HETATM 1982 OH PTR B 11 30.008 -3.386 15.448 1.00 0.00 O HETATM 1983 P PTR B 11 31.488 -3.089 14.859 1.00 0.00 P HETATM 1984 O1P PTR B 11 32.507 -3.829 15.674 1.00 0.00 O HETATM 1985 O2P PTR B 11 31.788 -1.499 14.933 1.00 0.00 O HETATM 1986 O3P PTR B 11 31.560 -3.547 13.432 1.00 0.00 O HETATM 0 HN2 PTR B 11 23.406 -7.263 14.728 1.00 0.00 H new HETATM 0 HE2 PTR B 11 28.855 -3.480 17.753 1.00 0.00 H new HETATM 0 HE1 PTR B 11 28.677 -4.696 13.670 1.00 0.00 H new HETATM 0 HD2 PTR B 11 26.678 -4.706 18.221 1.00 0.00 H new HETATM 0 HD1 PTR B 11 26.497 -5.926 14.124 1.00 0.00 H new HETATM 0 HB3 PTR B 11 24.334 -5.579 16.010 1.00 0.00 H new HETATM 0 HB2 PTR B 11 24.967 -6.124 17.550 1.00 0.00 H new HETATM 0 HA PTR B 11 25.858 -7.743 15.174 1.00 0.00 H new ATOM 1996 N LEU B 12 24.638 -8.483 18.147 1.00 0.00 N ATOM 1997 CA LEU B 12 24.847 -9.321 19.316 1.00 0.00 C ATOM 1998 C LEU B 12 26.306 -9.210 19.764 1.00 0.00 C ATOM 1999 O LEU B 12 26.914 -10.202 20.162 1.00 0.00 O ATOM 2000 CB LEU B 12 24.398 -10.756 19.033 1.00 0.00 C ATOM 2001 CG LEU B 12 24.656 -11.771 20.148 1.00 0.00 C ATOM 2002 CD1 LEU B 12 23.345 -12.385 20.645 1.00 0.00 C ATOM 2003 CD2 LEU B 12 25.654 -12.839 19.697 1.00 0.00 C ATOM 0 H LEU B 12 23.804 -7.897 18.186 1.00 0.00 H new ATOM 0 HA LEU B 12 24.231 -8.976 20.147 1.00 0.00 H new ATOM 0 HB2 LEU B 12 23.329 -10.746 18.818 1.00 0.00 H new ATOM 0 HB3 LEU B 12 24.901 -11.102 18.130 1.00 0.00 H new ATOM 0 HG LEU B 12 25.105 -11.246 20.991 1.00 0.00 H new ATOM 0 HD11 LEU B 12 23.557 -13.103 21.437 1.00 0.00 H new ATOM 0 HD12 LEU B 12 22.698 -11.598 21.032 1.00 0.00 H new ATOM 0 HD13 LEU B 12 22.845 -12.892 19.820 1.00 0.00 H new ATOM 0 HD21 LEU B 12 25.820 -13.548 20.508 1.00 0.00 H new ATOM 0 HD22 LEU B 12 25.256 -13.366 18.830 1.00 0.00 H new ATOM 0 HD23 LEU B 12 26.599 -12.365 19.431 1.00 0.00 H new ATOM 2015 N ASP B 13 26.825 -7.994 19.683 1.00 0.00 N ATOM 2016 CA ASP B 13 28.201 -7.740 20.075 1.00 0.00 C ATOM 2017 C ASP B 13 29.095 -8.857 19.533 1.00 0.00 C ATOM 2018 O ASP B 13 28.679 -9.625 18.667 1.00 0.00 O ATOM 2019 CB ASP B 13 28.345 -7.716 21.598 1.00 0.00 C ATOM 2020 CG ASP B 13 28.170 -9.072 22.285 1.00 0.00 C ATOM 2021 OD1 ASP B 13 27.042 -9.527 22.523 1.00 0.00 O ATOM 2022 OD2 ASP B 13 29.270 -9.677 22.583 1.00 0.00 O ATOM 0 H ASP B 13 26.317 -7.174 19.352 1.00 0.00 H new ATOM 0 HA ASP B 13 28.494 -6.771 19.670 1.00 0.00 H new ATOM 0 HB2 ASP B 13 29.330 -7.323 21.849 1.00 0.00 H new ATOM 0 HB3 ASP B 13 27.611 -7.021 22.006 1.00 0.00 H new ATOM 2028 N ILE B 14 30.307 -8.913 20.066 1.00 0.00 N ATOM 2029 CA ILE B 14 31.264 -9.923 19.647 1.00 0.00 C ATOM 2030 C ILE B 14 30.801 -11.294 20.144 1.00 0.00 C ATOM 2031 O ILE B 14 30.570 -11.480 21.338 1.00 0.00 O ATOM 2032 CB ILE B 14 32.675 -9.547 20.103 1.00 0.00 C ATOM 2033 CG1 ILE B 14 33.731 -10.159 19.180 1.00 0.00 C ATOM 2034 CG2 ILE B 14 32.899 -9.934 21.566 1.00 0.00 C ATOM 2035 CD1 ILE B 14 34.968 -9.264 19.093 1.00 0.00 C ATOM 0 H ILE B 14 30.648 -8.275 20.785 1.00 0.00 H new ATOM 0 HA ILE B 14 31.310 -9.976 18.559 1.00 0.00 H new ATOM 0 HB ILE B 14 32.778 -8.464 20.037 1.00 0.00 H new ATOM 0 HG12 ILE B 14 34.016 -11.144 19.550 1.00 0.00 H new ATOM 0 HG13 ILE B 14 33.310 -10.302 18.185 1.00 0.00 H new ATOM 0 HG21 ILE B 14 33.910 -9.656 21.865 1.00 0.00 H new ATOM 0 HG22 ILE B 14 32.178 -9.412 22.195 1.00 0.00 H new ATOM 0 HG23 ILE B 14 32.770 -11.010 21.682 1.00 0.00 H new ATOM 0 HD11 ILE B 14 35.703 -9.722 18.431 1.00 0.00 H new ATOM 0 HD12 ILE B 14 34.684 -8.288 18.700 1.00 0.00 H new ATOM 0 HD13 ILE B 14 35.400 -9.143 20.086 1.00 0.00 H new ATOM 2047 N LEU B 15 30.680 -12.220 19.204 1.00 0.00 N ATOM 2048 CA LEU B 15 30.250 -13.568 19.532 1.00 0.00 C ATOM 2049 C LEU B 15 29.087 -13.500 20.524 1.00 0.00 C ATOM 2050 O LEU B 15 29.196 -13.988 21.648 1.00 0.00 O ATOM 2051 CB LEU B 15 31.433 -14.403 20.027 1.00 0.00 C ATOM 2052 CG LEU B 15 31.546 -15.815 19.448 1.00 0.00 C ATOM 2053 CD1 LEU B 15 32.933 -16.051 18.846 1.00 0.00 C ATOM 2054 CD2 LEU B 15 31.191 -16.868 20.499 1.00 0.00 C ATOM 2055 OXT LEU B 15 27.907 -12.887 20.155 1.00 0.00 O ATOM 0 H LEU B 15 30.872 -12.063 18.215 1.00 0.00 H new ATOM 0 HA LEU B 15 29.881 -14.077 18.642 1.00 0.00 H new ATOM 0 HB2 LEU B 15 32.353 -13.864 19.800 1.00 0.00 H new ATOM 0 HB3 LEU B 15 31.368 -14.481 21.112 1.00 0.00 H new ATOM 0 HG LEU B 15 30.823 -15.911 18.638 1.00 0.00 H new ATOM 0 HD11 LEU B 15 32.987 -17.062 18.442 1.00 0.00 H new ATOM 0 HD12 LEU B 15 33.110 -15.331 18.047 1.00 0.00 H new ATOM 0 HD13 LEU B 15 33.691 -15.929 19.620 1.00 0.00 H new ATOM 0 HD21 LEU B 15 31.279 -17.863 20.062 1.00 0.00 H new ATOM 0 HD22 LEU B 15 31.873 -16.782 21.345 1.00 0.00 H new ATOM 0 HD23 LEU B 15 30.168 -16.711 20.840 1.00 0.00 H new TER 2068 LEU B 15 CONECT 1836 1850 CONECT 1850 1836 1851 1866 CONECT 1851 1850 1852 1854 1867 CONECT 1852 1851 1853 1875 CONECT 1853 1852 CONECT 1854 1851 1855 1868 1869 CONECT 1855 1854 1856 1857 CONECT 1856 1855 1858 1870 CONECT 1857 1855 1859 1871 CONECT 1858 1856 1860 1872 CONECT 1859 1857 1860 1873 CONECT 1860 1858 1859 1861 CONECT 1861 1860 1862 CONECT 1862 1861 1863 1864 1865 CONECT 1863 1862 CONECT 1864 1862 1874 CONECT 1865 1862 CONECT 1866 1850 CONECT 1867 1851 CONECT 1868 1854 CONECT 1869 1854 CONECT 1870 1856 CONECT 1871 1857 CONECT 1872 1858 CONECT 1873 1859 CONECT 1874 1864 CONECT 1875 1852 CONECT 1954 1971 CONECT 1971 1954 1972 1987 CONECT 1972 1971 1973 1975 1988 CONECT 1973 1972 1974 1996 CONECT 1974 1973 CONECT 1975 1972 1976 1989 1990 CONECT 1976 1975 1977 1978 CONECT 1977 1976 1979 1991 CONECT 1978 1976 1980 1992 CONECT 1979 1977 1981 1993 CONECT 1980 1978 1981 1994 CONECT 1981 1979 1980 1982 CONECT 1982 1981 1983 CONECT 1983 1982 1984 1985 1986 CONECT 1984 1983 CONECT 1985 1983 1995 CONECT 1986 1983 CONECT 1987 1971 CONECT 1988 1972 CONECT 1989 1975 CONECT 1990 1975 CONECT 1991 1977 CONECT 1992 1978 CONECT 1993 1979 CONECT 1994 1980 CONECT 1995 1985 CONECT 1996 1973 END