USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) HEADER SIGNALING PROTEIN 10-JAN-02 1J56 TITLE MINIMIZED AVERAGE STRUCTURE OF BERYLLOFLUORIDE-ACTIVATED TITLE 2 NTRC RECEIVER DOMAIN: MODEL STRUCTURE INCORPORATING ACTIVE TITLE 3 SITE CONTACTS COMPND MOL_ID: 1; COMPND 2 MOLECULE: NITROGEN REGULATION PROTEIN NR(I); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL DOMAIN: RECEIVER DOMAIN, RESIDUES 1- COMPND 5 124; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; SOURCE 3 ORGANISM_TAXID: 602; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET21 KEYWDS TWO COMPONENT SIGNAL TRANSDUCTION, RECEIVER DOMAIN, BEF3, KEYWDS 2 PHOSPHORYLATION, BACTERIAL NITROGEN REGULATORY PROTEIN, KEYWDS 3 SIGNALING PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR C.A.HASTINGS,S.-Y.LEE,H.S.CHO,D.YAN,S.KUSTU,D.E.WEMMER REVDAT 2 24-FEB-09 1J56 1 VERSN REVDAT 1 19-AUG-03 1J56 0 JRNL AUTH C.A.HASTINGS,S.-Y.LEE,H.S.CHO,D.YAN,S.KUSTU, JRNL AUTH 2 D.E.WEMMER JRNL TITL HIGH-RESOLUTION SOLUTION STRUCTURE OF THE JRNL TITL 2 BERYLLOFLUORIDE-ACTIVATED NTRC RECEIVER DOMAIN JRNL REF BIOCHEMISTRY V. 42 9081 2003 JRNL REFN ISSN 0006-2960 JRNL PMID 12885241 JRNL DOI 10.1021/BI0273866 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH H.S.CHO,S.-Y.LEE,D.YAN,X.PAN,J.S.PARKINSON,S.KUSTU, REMARK 1 AUTH 2 D.E.WEMMER,J.G.PELTON REMARK 1 TITL NMR STRUCTURE OF ACTIVATED CHEY REMARK 1 REF J.MOL.BIOL. V. 297 543 2000 REMARK 1 REFN ISSN 0022-2836 REMARK 1 DOI 10.1006/JMBI.2000.3595 REMARK 1 REFERENCE 2 REMARK 1 AUTH S.-Y.LEE,H.S.CHO,J.G.PELTON,D.YAN,R.K.HENDERSON, REMARK 1 AUTH 2 D.S.KING,L.HUANG,S.KUSTU,E.A.BERRY,D.E.WEMMER REMARK 1 TITL CRYSTAL STRUCTURE OF AN ACTIVATED RESPONSE REMARK 1 TITL 2 REGULATOR BOUND TO ITS TARGET REMARK 1 REF NAT.STRUCT.BIOL. V. 8 52 2001 REMARK 1 REFN ISSN 1072-8368 REMARK 1 DOI 10.1038/NSB0901-789 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0, MOLMOL REMARK 3 AUTHORS : BRUNGER ET. AL. (CNS 1.0), (MOLMOL) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 3 ADDITIONAL CONSTRAINTS FROM REMARK 3 CRYSTAL STRUCTURE OF BEF3-ACTIVATED CHEY WERE USED FOR REMARK 3 STRUCTURE CALCULATION. REMARK 4 REMARK 4 1J56 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-FEB-02. REMARK 100 THE RCSB ID CODE IS RCSB001626. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303; 303; 303; 303 REMARK 210 PH : 6.75; 6.75; 6.75; 6.75 REMARK 210 IONIC STRENGTH : 50MM NACL, 4.4MM BECL2, 7.2MM REMARK 210 MGCL2, 29MM NAF; 50MM NACL, REMARK 210 4.4MM BECL2, 7.2MM MGCL2, 29MM REMARK 210 NAF; 50MM NACL, 4.4MM BECL2, REMARK 210 7.2MM MGCL2, 29MM NAF; 50MM REMARK 210 NACL, 4.4MM BECL2, 7.2MM REMARK 210 MGCL2, 29MM NAF REMARK 210 PRESSURE : AMBIENT; AMBIENT; AMBIENT; REMARK 210 AMBIENT REMARK 210 SAMPLE CONTENTS : U-15N; 1.1-1.5MM NTRC REMARK 210 RECEIVER DOMAIN(1-124); 50MM REMARK 210 SODIUM PHOSPHATE REMARK 210 BUFFER(PH6.75); 50MM NACL; REMARK 210 4.4MM BECL2, 7.2MM MGCL2, 29MM REMARK 210 NAF; 95% H2O, 5% D2O; U-15N, REMARK 210 13C;1.1-1.5MM NTRC RECEIVER REMARK 210 DOMAIN(1-124); 50MM SODIUM REMARK 210 PHOSPHATE BUFFER(PH6.75); 50MM REMARK 210 NACL; 4.4MM BECL2, 7.2MM REMARK 210 MGCL2, 29MM NAF; 95% H2O, 5% REMARK 210 D2O; 10% 13C;1.1-1.5MM NTRC REMARK 210 RECEIVER DOMAIN(1-124); 50MM REMARK 210 SODIUM PHOSPHATE REMARK 210 BUFFER(PH6.75); 50MM NACL; REMARK 210 4.4MM BECL2, 7.2MM MGCL2, 29MM REMARK 210 NAF; 95% H2O, 5% D2O; U-15N; REMARK 210 1.1-1.5MM NTRC RECEIVER REMARK 210 DOMAIN(1-124); 50MM SODIUM REMARK 210 PHOSPHATE BUFFER(PH6.75); 50MM REMARK 210 NACL; 4.4MM BECL2, 7.2MM REMARK 210 MGCL2, 29MM NAF; 95% H2O, 5% REMARK 210 D2O; 30MG/ML PHAGE PF1 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY, 4D_ REMARK 210 13C/15N-SEPARATED_NOESY, 4D_ REMARK 210 13C-SEPARATED_NOESY, 3D_13C- REMARK 210 SEPARATED_NOESY, HNCA-J, REMARK 210 CBCA(CO)NH, 13C,1H-HSQC, IPAP- REMARK 210 HSQC, HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 500 MHZ REMARK 210 SPECTROMETER MODEL : AMX, DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DYANA 1.5, CNS 1.0, FELIX, REMARK 210 NMRVIEW REMARK 210 METHOD USED : DISTANCE GEOMETRY, TORSION REMARK 210 ANGLE DYNAMICS, SIMULATED REMARK 210 ANNEALING, ENERGY MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: MINIMIZED AVERAGE STRUCTURE OF BERYLLOFLUORIDE- REMARK 210 ACTIVATED NTRC RECEIVER DOMAIN: MODEL STRUCTURE INCORPORATING REMARK 210 ACTIVE 3 SITE CONTACTS. 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: 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 ASP A 10 109.87 -178.29 REMARK 500 ASP A 11 -53.89 68.47 REMARK 500 ASP A 12 -98.34 90.37 REMARK 500 ASN A 35 -35.90 -151.74 REMARK 500 LYS A 46 130.34 173.54 REMARK 500 ASP A 54 -168.14 -68.74 REMARK 500 ILE A 55 51.58 -157.32 REMARK 500 ARG A 56 74.54 -153.39 REMARK 500 MET A 57 -61.56 178.10 REMARK 500 PRO A 58 153.37 -48.79 REMARK 500 MET A 60 55.52 -105.95 REMARK 500 ASP A 61 -74.89 57.71 REMARK 500 PRO A 77 91.53 -67.85 REMARK 500 PHE A 99 -78.96 -64.25 REMARK 500 PHE A 106 -69.48 -143.10 REMARK 500 ASP A 107 -97.03 28.16 REMARK 500 ILE A 108 -56.61 -138.63 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BEF A 125 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1DC7 RELATED DB: PDB REMARK 900 INACTIVE CONFORMATION OF NTRC RECEIVER DOMAIN REMARK 900 RELATED ID: 1DC8 RELATED DB: PDB REMARK 900 TRANSIENTLY PHOSPHORYLATED FORM OF NTRC RECEIVER DOMAIN REMARK 900 RELATED ID: 1DJM RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF ACTIVE CHEY, THE HOMOLOG OF NTRC REMARK 900 RECEIVER DOMAIN REMARK 900 RELATED ID: 1F4V RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF ACTIVE CHEY BOUND TO ITS DOWNSTREAM REMARK 900 TARGET DOMAIN REMARK 900 RELATED ID: 1KRW RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE AND BACKBONE DYNAMICS OF BERYLLOFLUORIDE REMARK 900 -ACTIVATED NTRC RECEIVER DOMAIN REMARK 900 RELATED ID: 1KRX RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF BERYLLOFLUORIDE-ACTIVATED NTRC REMARK 900 RECEIVER DOMAIN: MODEL STRUCTURES INCORPORATING ACTIVE SITE REMARK 900 CONTACTS DBREF 1J56 A 1 124 UNP P41789 NTRC_SALTY 1 124 SEQRES 1 A 124 MET GLN ARG GLY ILE VAL TRP VAL VAL ASP ASP ASP SER SEQRES 2 A 124 SER ILE ARG TRP VAL LEU GLU ARG ALA LEU ALA GLY ALA SEQRES 3 A 124 GLY LEU THR CYS THR THR PHE GLU ASN GLY ASN GLU VAL SEQRES 4 A 124 LEU ALA ALA LEU ALA SER LYS THR PRO ASP VAL LEU LEU SEQRES 5 A 124 SER ASP ILE ARG MET PRO GLY MET ASP GLY LEU ALA LEU SEQRES 6 A 124 LEU LYS GLN ILE LYS GLN ARG HIS PRO MET LEU PRO VAL SEQRES 7 A 124 ILE ILE MET THR ALA HIS SER ASP LEU ASP ALA ALA VAL SEQRES 8 A 124 SER ALA TYR GLN GLN GLY ALA PHE ASP TYR LEU PRO LYS SEQRES 9 A 124 PRO PHE ASP ILE ASP GLU ALA VAL ALA LEU VAL GLU ARG SEQRES 10 A 124 ALA ILE SER HIS TYR GLN GLU HET BEF A 125 4 HETNAM BEF BERYLLIUM TRIFLUORIDE ION FORMUL 2 BEF BE F3 1- HELIX 1 1 ASP A 12 GLY A 27 1 16 HELIX 2 2 GLY A 36 LEU A 43 1 8 HELIX 3 3 LEU A 63 HIS A 73 1 11 HELIX 4 4 ASP A 86 GLY A 97 1 12 HELIX 5 5 ILE A 108 HIS A 121 1 14 SHEET 1 A 5 THR A 29 PHE A 33 0 SHEET 2 A 5 ILE A 5 VAL A 9 1 N VAL A 8 O THR A 31 SHEET 3 A 5 VAL A 50 SER A 53 1 O LEU A 52 N TRP A 7 SHEET 4 A 5 VAL A 78 ILE A 80 1 O ILE A 79 N SER A 53 SHEET 5 A 5 ASP A 100 TYR A 101 1 O ASP A 100 N ILE A 80 LINK OD1 ASP A 54 BE BEF A 125 1555 1555 1.61 SITE *** AC1 6 ASP A 54 ILE A 55 ARG A 56 THR A 82 SITE *** AC1 6 HIS A 84 LYS A 104 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 GLN : amide:sc= -0.225 K(o=0.49,f=-3.9!) USER MOD Set 1.2: A 71 GLN : amide:sc= 0.714 K(o=0.49,f=-0.6) USER MOD Set 2.1: A 1 MET N :NH3+ -155:sc= 1.28 (180deg=0) USER MOD Set 2.2: A 2 GLN : amide:sc= 1.62 K(o=2.9,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -110:sc= -0.175 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 77:sc= -2.9! USER MOD Single : A 35 ASN : amide:sc= -0.48 K(o=-0.48,f=-2.8!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -102:sc=-0.00992 (180deg=-0.965) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -60:sc=-0.00699 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 175:sc= 0 (180deg=-0.0379) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HE2:sc= -12.9! C(o=-13!,f=-10!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 172:sc= -6.64! (180deg=-6.89!) USER MOD Single : A 82 THR OG1 : rot 5:sc= 0.931 USER MOD Single : A 84 HIS : no HD1:sc= -8.4! C(o=-8.4!,f=-18!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 53:sc= -0.294 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0.66 K(o=0.66,f=-0.32) USER MOD Single : A 96 GLN : amide:sc= -3.74! C(o=-3.7!,f=-7.5!) USER MOD Single : A 101 TYR OH : rot 30:sc= -0.425 USER MOD Single : A 104 LYS NZ :NH3+ -176:sc= 1.44 (180deg=1.34) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 0.125 K(o=0.13,f=-0.94) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.704 -18.235 -1.699 1.00 0.00 N ATOM 2 CA MET A 1 9.865 -17.512 -2.301 1.00 0.00 C ATOM 3 C MET A 1 9.396 -16.626 -3.441 1.00 0.00 C ATOM 4 O MET A 1 8.840 -17.114 -4.420 1.00 0.00 O ATOM 5 CB MET A 1 10.894 -18.544 -2.804 1.00 0.00 C ATOM 6 CG MET A 1 12.325 -18.291 -2.341 1.00 0.00 C ATOM 7 SD MET A 1 13.055 -19.741 -1.555 1.00 0.00 S ATOM 8 CE MET A 1 13.308 -20.791 -2.981 1.00 0.00 C ATOM 0 H1 MET A 1 8.924 -18.485 -0.714 1.00 0.00 H new ATOM 0 H2 MET A 1 7.864 -17.622 -1.722 1.00 0.00 H new ATOM 0 H3 MET A 1 8.515 -19.102 -2.242 1.00 0.00 H new ATOM 0 HA MET A 1 10.332 -16.876 -1.549 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.588 -19.535 -2.470 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.875 -18.555 -3.894 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.935 -17.998 -3.196 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.336 -17.456 -1.640 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.755 -21.733 -2.664 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.350 -20.988 -3.462 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.973 -20.293 -3.686 1.00 0.00 H new ATOM 20 N GLN A 2 9.598 -15.324 -3.296 1.00 0.00 N ATOM 21 CA GLN A 2 9.177 -14.367 -4.314 1.00 0.00 C ATOM 22 C GLN A 2 10.312 -13.400 -4.664 1.00 0.00 C ATOM 23 O GLN A 2 11.381 -13.439 -4.054 1.00 0.00 O ATOM 24 CB GLN A 2 7.942 -13.611 -3.821 1.00 0.00 C ATOM 25 CG GLN A 2 6.743 -14.522 -3.592 1.00 0.00 C ATOM 26 CD GLN A 2 6.625 -14.970 -2.147 1.00 0.00 C ATOM 27 OE1 GLN A 2 7.115 -16.039 -1.773 1.00 0.00 O ATOM 28 NE2 GLN A 2 5.996 -14.150 -1.325 1.00 0.00 N ATOM 0 H GLN A 2 10.051 -14.904 -2.484 1.00 0.00 H new ATOM 0 HA GLN A 2 8.921 -14.908 -5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.184 -13.097 -2.891 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.676 -12.845 -4.549 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.832 -13.999 -3.883 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.827 -15.398 -4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.606 -13.276 -1.677 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.900 -14.391 -0.338 1.00 0.00 H new ATOM 37 N ARG A 3 10.080 -12.540 -5.647 1.00 0.00 N ATOM 38 CA ARG A 3 11.098 -11.573 -6.064 1.00 0.00 C ATOM 39 C ARG A 3 10.761 -10.161 -5.579 1.00 0.00 C ATOM 40 O ARG A 3 10.995 -9.187 -6.294 1.00 0.00 O ATOM 41 CB ARG A 3 11.267 -11.585 -7.591 1.00 0.00 C ATOM 42 CG ARG A 3 10.041 -11.083 -8.337 1.00 0.00 C ATOM 43 CD ARG A 3 9.346 -12.204 -9.092 1.00 0.00 C ATOM 44 NE ARG A 3 8.802 -11.730 -10.374 1.00 0.00 N ATOM 45 CZ ARG A 3 8.272 -12.511 -11.307 1.00 0.00 C ATOM 46 NH1 ARG A 3 8.155 -13.806 -11.117 1.00 0.00 N ATOM 47 NH2 ARG A 3 7.851 -11.984 -12.433 1.00 0.00 N ATOM 0 H ARG A 3 9.205 -12.488 -6.169 1.00 0.00 H new ATOM 0 HA ARG A 3 12.041 -11.871 -5.605 1.00 0.00 H new ATOM 0 HB2 ARG A 3 12.125 -10.968 -7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.491 -12.601 -7.917 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.344 -10.633 -7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.335 -10.301 -9.037 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.051 -13.016 -9.272 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.540 -12.611 -8.481 1.00 0.00 H new ATOM 0 HE ARG A 3 8.835 -10.728 -10.559 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.474 -14.224 -10.243 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.745 -14.393 -11.844 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.932 -10.979 -12.587 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.443 -12.579 -13.154 1.00 0.00 H new ATOM 61 N GLY A 4 10.218 -10.067 -4.360 1.00 0.00 N ATOM 62 CA GLY A 4 9.859 -8.777 -3.769 1.00 0.00 C ATOM 63 C GLY A 4 9.121 -7.843 -4.711 1.00 0.00 C ATOM 64 O GLY A 4 9.733 -7.176 -5.539 1.00 0.00 O ATOM 0 H GLY A 4 10.018 -10.871 -3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.238 -8.953 -2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.767 -8.283 -3.424 1.00 0.00 H new ATOM 68 N ILE A 5 7.809 -7.773 -4.581 1.00 0.00 N ATOM 69 CA ILE A 5 7.017 -6.891 -5.428 1.00 0.00 C ATOM 70 C ILE A 5 6.223 -5.891 -4.582 1.00 0.00 C ATOM 71 O ILE A 5 5.186 -6.232 -4.017 1.00 0.00 O ATOM 72 CB ILE A 5 6.052 -7.686 -6.331 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.822 -8.716 -7.168 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.278 -6.729 -7.222 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.473 -10.151 -6.829 1.00 0.00 C ATOM 0 H ILE A 5 7.269 -8.311 -3.903 1.00 0.00 H new ATOM 0 HA ILE A 5 7.715 -6.347 -6.065 1.00 0.00 H new ATOM 0 HB ILE A 5 5.344 -8.229 -5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.618 -8.540 -8.224 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.892 -8.566 -7.021 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.597 -7.294 -7.858 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.706 -6.038 -6.603 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.975 -6.167 -7.844 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.054 -10.825 -7.458 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.704 -10.344 -5.781 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.410 -10.318 -7.003 1.00 0.00 H new ATOM 87 N VAL A 6 6.715 -4.655 -4.495 1.00 0.00 N ATOM 88 CA VAL A 6 6.037 -3.612 -3.710 1.00 0.00 C ATOM 89 C VAL A 6 5.340 -2.590 -4.615 1.00 0.00 C ATOM 90 O VAL A 6 5.953 -2.026 -5.524 1.00 0.00 O ATOM 91 CB VAL A 6 7.019 -2.870 -2.765 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.222 -2.354 -3.536 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.323 -1.722 -2.037 1.00 0.00 C ATOM 0 H VAL A 6 7.573 -4.349 -4.953 1.00 0.00 H new ATOM 0 HA VAL A 6 5.288 -4.123 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 6 7.365 -3.585 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.897 -1.837 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.744 -3.192 -3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.889 -1.662 -4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.036 -1.221 -1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.937 -1.010 -2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.498 -2.115 -1.442 1.00 0.00 H new ATOM 103 N TRP A 7 4.057 -2.350 -4.359 1.00 0.00 N ATOM 104 CA TRP A 7 3.282 -1.387 -5.147 1.00 0.00 C ATOM 105 C TRP A 7 2.838 -0.209 -4.268 1.00 0.00 C ATOM 106 O TRP A 7 2.279 -0.409 -3.193 1.00 0.00 O ATOM 107 CB TRP A 7 2.073 -2.088 -5.788 1.00 0.00 C ATOM 108 CG TRP A 7 2.427 -2.923 -6.990 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.683 -3.219 -7.439 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.518 -3.574 -7.893 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.612 -3.999 -8.568 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.295 -4.231 -8.868 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.123 -3.658 -7.979 1.00 0.00 C ATOM 114 CZ2 TRP A 7 1.723 -4.968 -9.905 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.441 -4.389 -9.009 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.357 -5.032 -9.962 1.00 0.00 C ATOM 0 H TRP A 7 3.530 -2.806 -3.614 1.00 0.00 H new ATOM 0 HA TRP A 7 3.911 -0.990 -5.944 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.595 -2.724 -5.043 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.341 -1.336 -6.082 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.600 -2.888 -6.974 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.411 -4.349 -9.097 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.503 -3.160 -7.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.337 -5.471 -10.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.516 -4.465 -9.079 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.114 -5.590 -10.758 1.00 0.00 H new ATOM 127 N VAL A 8 3.117 1.016 -4.714 1.00 0.00 N ATOM 128 CA VAL A 8 2.767 2.222 -3.944 1.00 0.00 C ATOM 129 C VAL A 8 1.841 3.156 -4.732 1.00 0.00 C ATOM 130 O VAL A 8 1.788 3.101 -5.960 1.00 0.00 O ATOM 131 CB VAL A 8 4.040 3.007 -3.535 1.00 0.00 C ATOM 132 CG1 VAL A 8 3.813 3.812 -2.264 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.218 2.065 -3.351 1.00 0.00 C ATOM 0 H VAL A 8 3.583 1.205 -5.601 1.00 0.00 H new ATOM 0 HA VAL A 8 2.242 1.880 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 8 4.267 3.703 -4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.725 4.350 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.004 4.525 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.546 3.139 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.100 2.637 -3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.986 1.340 -2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.414 1.540 -4.286 1.00 0.00 H new ATOM 143 N VAL A 9 1.117 4.015 -4.018 1.00 0.00 N ATOM 144 CA VAL A 9 0.204 4.966 -4.653 1.00 0.00 C ATOM 145 C VAL A 9 0.093 6.251 -3.838 1.00 0.00 C ATOM 146 O VAL A 9 -0.583 6.295 -2.810 1.00 0.00 O ATOM 147 CB VAL A 9 -1.209 4.385 -4.876 1.00 0.00 C ATOM 148 CG1 VAL A 9 -1.647 4.628 -6.303 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.270 2.902 -4.561 1.00 0.00 C ATOM 0 H VAL A 9 1.144 4.073 -3.000 1.00 0.00 H new ATOM 0 HA VAL A 9 0.636 5.184 -5.630 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.887 4.895 -4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.645 4.215 -6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.664 5.700 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.948 4.144 -6.985 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.282 2.535 -4.732 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.575 2.364 -5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.996 2.740 -3.518 1.00 0.00 H new ATOM 159 N ASP A 10 0.777 7.279 -4.322 1.00 0.00 N ATOM 160 CA ASP A 10 0.811 8.594 -3.689 1.00 0.00 C ATOM 161 C ASP A 10 1.660 9.526 -4.549 1.00 0.00 C ATOM 162 O ASP A 10 2.878 9.338 -4.651 1.00 0.00 O ATOM 163 CB ASP A 10 1.391 8.478 -2.274 1.00 0.00 C ATOM 164 CG ASP A 10 1.479 9.796 -1.531 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.179 10.852 -2.119 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.850 9.765 -0.339 1.00 0.00 O ATOM 0 H ASP A 10 1.332 7.224 -5.176 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.198 8.999 -3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.776 7.788 -1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.388 8.041 -2.336 1.00 0.00 H new ATOM 171 N ASP A 11 1.015 10.495 -5.201 1.00 0.00 N ATOM 172 CA ASP A 11 1.711 11.437 -6.093 1.00 0.00 C ATOM 173 C ASP A 11 2.234 10.733 -7.360 1.00 0.00 C ATOM 174 O ASP A 11 1.955 11.167 -8.479 1.00 0.00 O ATOM 175 CB ASP A 11 2.877 12.112 -5.355 1.00 0.00 C ATOM 176 CG ASP A 11 3.655 13.060 -6.245 1.00 0.00 C ATOM 177 OD1 ASP A 11 4.599 12.594 -6.919 1.00 0.00 O ATOM 178 OD2 ASP A 11 3.324 14.264 -6.272 1.00 0.00 O ATOM 0 H ASP A 11 0.010 10.652 -5.131 1.00 0.00 H new ATOM 0 HA ASP A 11 0.989 12.195 -6.398 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.490 12.660 -4.496 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.550 11.347 -4.968 1.00 0.00 H new ATOM 183 N ASP A 12 3.006 9.659 -7.147 1.00 0.00 N ATOM 184 CA ASP A 12 3.619 8.852 -8.206 1.00 0.00 C ATOM 185 C ASP A 12 5.012 9.376 -8.572 1.00 0.00 C ATOM 186 O ASP A 12 5.986 9.051 -7.902 1.00 0.00 O ATOM 187 CB ASP A 12 2.724 8.738 -9.457 1.00 0.00 C ATOM 188 CG ASP A 12 3.413 8.015 -10.599 1.00 0.00 C ATOM 189 OD1 ASP A 12 3.657 6.800 -10.472 1.00 0.00 O ATOM 190 OD2 ASP A 12 3.732 8.670 -11.612 1.00 0.00 O ATOM 0 H ASP A 12 3.226 9.321 -6.210 1.00 0.00 H new ATOM 0 HA ASP A 12 3.729 7.845 -7.803 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.807 8.209 -9.197 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.434 9.736 -9.785 1.00 0.00 H new ATOM 195 N SER A 13 5.104 10.160 -9.644 1.00 0.00 N ATOM 196 CA SER A 13 6.384 10.696 -10.126 1.00 0.00 C ATOM 197 C SER A 13 7.370 11.039 -9.003 1.00 0.00 C ATOM 198 O SER A 13 8.527 10.615 -9.048 1.00 0.00 O ATOM 199 CB SER A 13 6.150 11.916 -11.016 1.00 0.00 C ATOM 200 OG SER A 13 7.232 12.092 -11.921 1.00 0.00 O ATOM 0 H SER A 13 4.300 10.443 -10.204 1.00 0.00 H new ATOM 0 HA SER A 13 6.847 9.898 -10.707 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.220 11.794 -11.572 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.037 12.807 -10.398 1.00 0.00 H new ATOM 0 HG SER A 13 7.064 12.877 -12.484 1.00 0.00 H new ATOM 206 N SER A 14 6.929 11.798 -8.002 1.00 0.00 N ATOM 207 CA SER A 14 7.812 12.176 -6.893 1.00 0.00 C ATOM 208 C SER A 14 8.054 11.012 -5.924 1.00 0.00 C ATOM 209 O SER A 14 9.193 10.572 -5.754 1.00 0.00 O ATOM 210 CB SER A 14 7.257 13.387 -6.137 1.00 0.00 C ATOM 211 OG SER A 14 8.298 14.299 -5.810 1.00 0.00 O ATOM 0 H SER A 14 5.978 12.161 -7.933 1.00 0.00 H new ATOM 0 HA SER A 14 8.772 12.445 -7.333 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.506 13.889 -6.747 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.758 13.055 -5.226 1.00 0.00 H new ATOM 0 HG SER A 14 7.922 15.066 -5.329 1.00 0.00 H new ATOM 217 N ILE A 15 6.989 10.515 -5.287 1.00 0.00 N ATOM 218 CA ILE A 15 7.109 9.397 -4.332 1.00 0.00 C ATOM 219 C ILE A 15 7.753 8.165 -4.981 1.00 0.00 C ATOM 220 O ILE A 15 8.579 7.482 -4.370 1.00 0.00 O ATOM 221 CB ILE A 15 5.729 8.994 -3.754 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.101 10.159 -2.983 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.849 7.771 -2.852 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.803 10.488 -1.683 1.00 0.00 C ATOM 0 H ILE A 15 6.038 10.863 -5.411 1.00 0.00 H new ATOM 0 HA ILE A 15 7.749 9.751 -3.524 1.00 0.00 H new ATOM 0 HB ILE A 15 5.080 8.741 -4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.102 11.044 -3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.059 9.921 -2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.866 7.510 -2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.245 6.933 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.522 7.994 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.298 11.323 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.779 9.618 -1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.839 10.760 -1.887 1.00 0.00 H new ATOM 236 N ARG A 16 7.357 7.890 -6.221 1.00 0.00 N ATOM 237 CA ARG A 16 7.863 6.749 -6.982 1.00 0.00 C ATOM 238 C ARG A 16 9.381 6.791 -7.146 1.00 0.00 C ATOM 239 O ARG A 16 10.074 5.929 -6.625 1.00 0.00 O ATOM 240 CB ARG A 16 7.185 6.713 -8.350 1.00 0.00 C ATOM 241 CG ARG A 16 7.654 5.591 -9.253 1.00 0.00 C ATOM 242 CD ARG A 16 7.252 5.863 -10.687 1.00 0.00 C ATOM 243 NE ARG A 16 8.219 5.300 -11.625 1.00 0.00 N ATOM 244 CZ ARG A 16 7.946 4.958 -12.866 1.00 0.00 C ATOM 245 NH1 ARG A 16 6.719 5.055 -13.332 1.00 0.00 N ATOM 246 NH2 ARG A 16 8.908 4.499 -13.630 1.00 0.00 N ATOM 0 H ARG A 16 6.674 8.453 -6.728 1.00 0.00 H new ATOM 0 HA ARG A 16 7.628 5.843 -6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.109 6.621 -8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.359 7.664 -8.853 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.737 5.490 -9.185 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.225 4.646 -8.922 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.267 5.437 -10.878 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.171 6.938 -10.847 1.00 0.00 H new ATOM 0 HE ARG A 16 9.174 5.162 -11.295 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.970 5.398 -12.730 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.517 4.788 -14.295 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.855 4.411 -13.260 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.710 4.230 -14.594 1.00 0.00 H new ATOM 260 N TRP A 17 9.894 7.785 -7.875 1.00 0.00 N ATOM 261 CA TRP A 17 11.342 7.911 -8.105 1.00 0.00 C ATOM 262 C TRP A 17 12.151 7.594 -6.840 1.00 0.00 C ATOM 263 O TRP A 17 13.110 6.820 -6.884 1.00 0.00 O ATOM 264 CB TRP A 17 11.684 9.317 -8.603 1.00 0.00 C ATOM 265 CG TRP A 17 13.132 9.483 -8.964 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.720 9.167 -10.154 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.174 9.996 -8.123 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.064 9.462 -10.108 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.365 9.972 -8.873 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.213 10.480 -6.812 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.580 10.408 -8.353 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.421 10.913 -6.296 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.591 10.877 -7.066 1.00 0.00 C ATOM 0 H TRP A 17 9.333 8.514 -8.316 1.00 0.00 H new ATOM 0 HA TRP A 17 11.614 7.181 -8.868 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.071 9.545 -9.475 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.424 10.042 -7.831 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.207 8.747 -11.006 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.728 9.323 -10.870 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.315 10.515 -6.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.483 10.378 -8.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.463 11.285 -5.283 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.519 11.225 -6.637 1.00 0.00 H new ATOM 284 N VAL A 18 11.756 8.185 -5.715 1.00 0.00 N ATOM 285 CA VAL A 18 12.447 7.949 -4.444 1.00 0.00 C ATOM 286 C VAL A 18 12.286 6.491 -3.995 1.00 0.00 C ATOM 287 O VAL A 18 13.260 5.834 -3.618 1.00 0.00 O ATOM 288 CB VAL A 18 11.937 8.883 -3.313 1.00 0.00 C ATOM 289 CG1 VAL A 18 13.011 9.085 -2.259 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.485 10.232 -3.855 1.00 0.00 C ATOM 0 H VAL A 18 10.966 8.828 -5.654 1.00 0.00 H new ATOM 0 HA VAL A 18 13.500 8.168 -4.623 1.00 0.00 H new ATOM 0 HB VAL A 18 11.075 8.396 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.633 9.742 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.281 8.122 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.891 9.536 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.135 10.856 -3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.321 10.723 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.674 10.084 -4.568 1.00 0.00 H new ATOM 300 N LEU A 19 11.048 5.995 -4.032 1.00 0.00 N ATOM 301 CA LEU A 19 10.742 4.623 -3.621 1.00 0.00 C ATOM 302 C LEU A 19 11.245 3.579 -4.628 1.00 0.00 C ATOM 303 O LEU A 19 11.883 2.600 -4.240 1.00 0.00 O ATOM 304 CB LEU A 19 9.232 4.471 -3.412 1.00 0.00 C ATOM 305 CG LEU A 19 8.808 3.605 -2.219 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.787 3.734 -1.060 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.415 3.999 -1.768 1.00 0.00 C ATOM 0 H LEU A 19 10.236 6.527 -4.345 1.00 0.00 H new ATOM 0 HA LEU A 19 11.268 4.439 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.799 5.464 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.800 4.046 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 19 8.807 2.564 -2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.455 3.107 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.778 3.414 -1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.830 4.773 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.119 3.381 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.412 5.048 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.712 3.852 -2.588 1.00 0.00 H new ATOM 319 N GLU A 20 10.961 3.790 -5.913 1.00 0.00 N ATOM 320 CA GLU A 20 11.392 2.868 -6.968 1.00 0.00 C ATOM 321 C GLU A 20 12.908 2.663 -6.919 1.00 0.00 C ATOM 322 O GLU A 20 13.403 1.552 -7.107 1.00 0.00 O ATOM 323 CB GLU A 20 10.956 3.389 -8.353 1.00 0.00 C ATOM 324 CG GLU A 20 11.944 4.364 -9.001 1.00 0.00 C ATOM 325 CD GLU A 20 11.645 4.675 -10.461 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.539 4.349 -10.941 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.526 5.253 -11.129 1.00 0.00 O ATOM 0 H GLU A 20 10.432 4.594 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 20 10.913 1.904 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.813 2.538 -9.019 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.989 3.882 -8.254 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.943 5.295 -8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.949 3.948 -8.928 1.00 0.00 H new ATOM 334 N ARG A 21 13.635 3.748 -6.658 1.00 0.00 N ATOM 335 CA ARG A 21 15.090 3.698 -6.579 1.00 0.00 C ATOM 336 C ARG A 21 15.570 3.092 -5.256 1.00 0.00 C ATOM 337 O ARG A 21 16.429 2.208 -5.251 1.00 0.00 O ATOM 338 CB ARG A 21 15.672 5.103 -6.771 1.00 0.00 C ATOM 339 CG ARG A 21 15.614 5.588 -8.209 1.00 0.00 C ATOM 340 CD ARG A 21 16.352 4.644 -9.137 1.00 0.00 C ATOM 341 NE ARG A 21 17.072 5.371 -10.186 1.00 0.00 N ATOM 342 CZ ARG A 21 18.077 4.873 -10.883 1.00 0.00 C ATOM 343 NH1 ARG A 21 18.494 3.646 -10.671 1.00 0.00 N ATOM 344 NH2 ARG A 21 18.658 5.609 -11.801 1.00 0.00 N ATOM 0 H ARG A 21 13.237 4.673 -6.498 1.00 0.00 H new ATOM 0 HA ARG A 21 15.447 3.049 -7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.128 5.803 -6.137 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.709 5.108 -6.435 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.574 5.673 -8.525 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.051 6.584 -8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.056 4.043 -8.561 1.00 0.00 H new ATOM 0 HD3 ARG A 21 15.643 3.953 -9.593 1.00 0.00 H new ATOM 0 HE ARG A 21 16.777 6.326 -10.392 1.00 0.00 H new ATOM 0 HH11 ARG A 21 18.041 3.069 -9.963 1.00 0.00 H new ATOM 0 HH12 ARG A 21 19.271 3.270 -11.215 1.00 0.00 H new ATOM 0 HH21 ARG A 21 18.333 6.560 -11.973 1.00 0.00 H new ATOM 0 HH22 ARG A 21 19.435 5.230 -12.342 1.00 0.00 H new ATOM 358 N ALA A 22 15.025 3.569 -4.138 1.00 0.00 N ATOM 359 CA ALA A 22 15.418 3.070 -2.817 1.00 0.00 C ATOM 360 C ALA A 22 15.006 1.611 -2.596 1.00 0.00 C ATOM 361 O ALA A 22 15.842 0.769 -2.266 1.00 0.00 O ATOM 362 CB ALA A 22 14.838 3.959 -1.725 1.00 0.00 C ATOM 0 H ALA A 22 14.312 4.298 -4.118 1.00 0.00 H new ATOM 0 HA ALA A 22 16.506 3.103 -2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.137 3.578 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.211 4.976 -1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.750 3.960 -1.796 1.00 0.00 H new ATOM 368 N LEU A 23 13.720 1.319 -2.773 1.00 0.00 N ATOM 369 CA LEU A 23 13.203 -0.038 -2.583 1.00 0.00 C ATOM 370 C LEU A 23 13.931 -1.058 -3.468 1.00 0.00 C ATOM 371 O LEU A 23 14.256 -2.159 -3.017 1.00 0.00 O ATOM 372 CB LEU A 23 11.695 -0.072 -2.852 1.00 0.00 C ATOM 373 CG LEU A 23 10.890 -0.960 -1.903 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.368 -2.397 -1.994 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.001 -0.456 -0.472 1.00 0.00 C ATOM 0 H LEU A 23 13.015 2.003 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 23 13.387 -0.320 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.307 0.945 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.531 -0.415 -3.874 1.00 0.00 H new ATOM 0 HG LEU A 23 9.842 -0.920 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.786 -3.018 -1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.240 -2.759 -3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.422 -2.448 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.421 -1.102 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.046 -0.466 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.616 0.562 -0.414 1.00 0.00 H new ATOM 387 N ALA A 24 14.194 -0.691 -4.721 1.00 0.00 N ATOM 388 CA ALA A 24 14.892 -1.582 -5.652 1.00 0.00 C ATOM 389 C ALA A 24 16.251 -2.034 -5.095 1.00 0.00 C ATOM 390 O ALA A 24 16.678 -3.164 -5.337 1.00 0.00 O ATOM 391 CB ALA A 24 15.063 -0.901 -7.003 1.00 0.00 C ATOM 0 H ALA A 24 13.936 0.213 -5.116 1.00 0.00 H new ATOM 0 HA ALA A 24 14.281 -2.475 -5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.583 -1.573 -7.686 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.084 -0.654 -7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.645 0.012 -6.879 1.00 0.00 H new ATOM 397 N GLY A 25 16.916 -1.154 -4.338 1.00 0.00 N ATOM 398 CA GLY A 25 18.211 -1.491 -3.751 1.00 0.00 C ATOM 399 C GLY A 25 18.147 -2.702 -2.835 1.00 0.00 C ATOM 400 O GLY A 25 19.069 -3.516 -2.812 1.00 0.00 O ATOM 0 H GLY A 25 16.581 -0.215 -4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.927 -1.683 -4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.583 -0.635 -3.188 1.00 0.00 H new ATOM 404 N ALA A 26 17.052 -2.822 -2.084 1.00 0.00 N ATOM 405 CA ALA A 26 16.861 -3.946 -1.163 1.00 0.00 C ATOM 406 C ALA A 26 16.618 -5.265 -1.914 1.00 0.00 C ATOM 407 O ALA A 26 16.789 -6.347 -1.350 1.00 0.00 O ATOM 408 CB ALA A 26 15.706 -3.647 -0.214 1.00 0.00 C ATOM 0 H ALA A 26 16.281 -2.154 -2.095 1.00 0.00 H new ATOM 0 HA ALA A 26 17.778 -4.068 -0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.569 -4.486 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.929 -2.747 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.793 -3.494 -0.789 1.00 0.00 H new ATOM 414 N GLY A 27 16.227 -5.167 -3.188 1.00 0.00 N ATOM 415 CA GLY A 27 15.975 -6.356 -3.995 1.00 0.00 C ATOM 416 C GLY A 27 14.498 -6.627 -4.213 1.00 0.00 C ATOM 417 O GLY A 27 14.046 -7.763 -4.069 1.00 0.00 O ATOM 0 H GLY A 27 16.080 -4.283 -3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.464 -6.241 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.429 -7.220 -3.509 1.00 0.00 H new ATOM 421 N LEU A 28 13.742 -5.587 -4.560 1.00 0.00 N ATOM 422 CA LEU A 28 12.303 -5.728 -4.791 1.00 0.00 C ATOM 423 C LEU A 28 11.815 -4.816 -5.920 1.00 0.00 C ATOM 424 O LEU A 28 12.308 -3.700 -6.094 1.00 0.00 O ATOM 425 CB LEU A 28 11.530 -5.412 -3.506 1.00 0.00 C ATOM 426 CG LEU A 28 12.018 -6.143 -2.253 1.00 0.00 C ATOM 427 CD1 LEU A 28 13.043 -5.303 -1.511 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.851 -6.478 -1.340 1.00 0.00 C ATOM 0 H LEU A 28 14.099 -4.640 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 28 12.119 -6.760 -5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.583 -4.339 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.480 -5.657 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 28 12.492 -7.074 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.378 -5.839 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.896 -5.110 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.592 -4.356 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.219 -6.997 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.349 -5.559 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.147 -7.119 -1.870 1.00 0.00 H new ATOM 440 N THR A 29 10.828 -5.293 -6.672 1.00 0.00 N ATOM 441 CA THR A 29 10.249 -4.521 -7.774 1.00 0.00 C ATOM 442 C THR A 29 9.222 -3.515 -7.249 1.00 0.00 C ATOM 443 O THR A 29 8.091 -3.885 -6.921 1.00 0.00 O ATOM 444 CB THR A 29 9.576 -5.449 -8.800 1.00 0.00 C ATOM 445 OG1 THR A 29 10.505 -6.343 -9.392 1.00 0.00 O ATOM 446 CG2 THR A 29 8.908 -4.701 -9.930 1.00 0.00 C ATOM 0 H THR A 29 10.409 -6.214 -6.540 1.00 0.00 H new ATOM 0 HA THR A 29 11.061 -3.982 -8.262 1.00 0.00 H new ATOM 0 HB THR A 29 8.825 -5.990 -8.224 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.041 -6.917 -10.036 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.453 -5.413 -10.619 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.138 -4.044 -9.526 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.651 -4.106 -10.462 1.00 0.00 H new ATOM 454 N CYS A 30 9.619 -2.247 -7.173 1.00 0.00 N ATOM 455 CA CYS A 30 8.735 -1.184 -6.688 1.00 0.00 C ATOM 456 C CYS A 30 8.055 -0.449 -7.851 1.00 0.00 C ATOM 457 O CYS A 30 8.707 -0.080 -8.826 1.00 0.00 O ATOM 458 CB CYS A 30 9.531 -0.191 -5.837 1.00 0.00 C ATOM 459 SG CYS A 30 8.520 1.048 -4.994 1.00 0.00 S ATOM 0 H CYS A 30 10.550 -1.927 -7.441 1.00 0.00 H new ATOM 0 HA CYS A 30 7.957 -1.644 -6.078 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.101 -0.745 -5.092 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.252 0.319 -6.475 1.00 0.00 H new ATOM 0 HG CYS A 30 8.724 2.214 -5.532 1.00 0.00 H new ATOM 465 N THR A 31 6.743 -0.232 -7.734 1.00 0.00 N ATOM 466 CA THR A 31 5.976 0.475 -8.773 1.00 0.00 C ATOM 467 C THR A 31 4.898 1.361 -8.143 1.00 0.00 C ATOM 468 O THR A 31 4.424 1.077 -7.037 1.00 0.00 O ATOM 469 CB THR A 31 5.349 -0.521 -9.762 1.00 0.00 C ATOM 470 OG1 THR A 31 5.436 -0.034 -11.090 1.00 0.00 O ATOM 471 CG2 THR A 31 3.893 -0.830 -9.491 1.00 0.00 C ATOM 0 H THR A 31 6.187 -0.533 -6.934 1.00 0.00 H new ATOM 0 HA THR A 31 6.664 1.115 -9.325 1.00 0.00 H new ATOM 0 HB THR A 31 5.923 -1.438 -9.629 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.033 -0.683 -11.704 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.527 -1.540 -10.233 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.792 -1.262 -8.495 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.309 0.089 -9.549 1.00 0.00 H new ATOM 479 N THR A 32 4.524 2.434 -8.837 1.00 0.00 N ATOM 480 CA THR A 32 3.509 3.367 -8.329 1.00 0.00 C ATOM 481 C THR A 32 2.324 3.520 -9.285 1.00 0.00 C ATOM 482 O THR A 32 2.389 3.112 -10.446 1.00 0.00 O ATOM 483 CB THR A 32 4.128 4.739 -8.074 1.00 0.00 C ATOM 484 OG1 THR A 32 4.913 5.135 -9.173 1.00 0.00 O ATOM 485 CG2 THR A 32 5.018 4.794 -6.854 1.00 0.00 C ATOM 0 H THR A 32 4.905 2.682 -9.750 1.00 0.00 H new ATOM 0 HA THR A 32 3.135 2.945 -7.396 1.00 0.00 H new ATOM 0 HB THR A 32 3.279 5.404 -7.913 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.330 5.444 -9.897 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.419 5.801 -6.741 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.438 4.533 -5.969 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.840 4.087 -6.971 1.00 0.00 H new ATOM 493 N PHE A 33 1.244 4.120 -8.773 1.00 0.00 N ATOM 494 CA PHE A 33 0.018 4.355 -9.546 1.00 0.00 C ATOM 495 C PHE A 33 -0.623 5.698 -9.150 1.00 0.00 C ATOM 496 O PHE A 33 -0.127 6.382 -8.251 1.00 0.00 O ATOM 497 CB PHE A 33 -0.983 3.218 -9.303 1.00 0.00 C ATOM 498 CG PHE A 33 -0.408 1.837 -9.478 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.283 1.220 -8.450 1.00 0.00 C ATOM 500 CD2 PHE A 33 -0.580 1.152 -10.663 1.00 0.00 C ATOM 501 CE1 PHE A 33 0.799 -0.052 -8.606 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.070 -0.121 -10.828 1.00 0.00 C ATOM 503 CZ PHE A 33 0.620 -0.727 -9.796 1.00 0.00 C ATOM 0 H PHE A 33 1.194 4.457 -7.811 1.00 0.00 H new ATOM 0 HA PHE A 33 0.280 4.388 -10.603 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.379 3.308 -8.291 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.824 3.338 -9.986 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.421 1.740 -7.513 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.121 1.618 -11.473 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.342 -0.518 -7.797 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.211 -0.642 -11.763 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.017 -1.724 -9.920 1.00 0.00 H new ATOM 513 N GLU A 34 -1.722 6.071 -9.821 1.00 0.00 N ATOM 514 CA GLU A 34 -2.427 7.339 -9.536 1.00 0.00 C ATOM 515 C GLU A 34 -2.678 7.560 -8.031 1.00 0.00 C ATOM 516 O GLU A 34 -2.109 8.474 -7.439 1.00 0.00 O ATOM 517 CB GLU A 34 -3.761 7.428 -10.312 1.00 0.00 C ATOM 518 CG GLU A 34 -4.529 6.112 -10.423 1.00 0.00 C ATOM 519 CD GLU A 34 -5.717 6.010 -9.486 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.701 6.746 -9.671 1.00 0.00 O ATOM 521 OE2 GLU A 34 -5.661 5.174 -8.565 1.00 0.00 O ATOM 0 H GLU A 34 -2.145 5.516 -10.565 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.763 8.133 -9.876 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.400 8.165 -9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.556 7.798 -11.317 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.877 5.992 -11.449 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.847 5.287 -10.219 1.00 0.00 H new ATOM 528 N ASN A 35 -3.543 6.737 -7.426 1.00 0.00 N ATOM 529 CA ASN A 35 -3.879 6.870 -5.993 1.00 0.00 C ATOM 530 C ASN A 35 -4.285 5.527 -5.352 1.00 0.00 C ATOM 531 O ASN A 35 -3.990 5.269 -4.180 1.00 0.00 O ATOM 532 CB ASN A 35 -5.022 7.880 -5.823 1.00 0.00 C ATOM 533 CG ASN A 35 -4.540 9.296 -5.567 1.00 0.00 C ATOM 534 OD1 ASN A 35 -3.356 9.549 -5.409 1.00 0.00 O ATOM 535 ND2 ASN A 35 -5.469 10.235 -5.521 1.00 0.00 N ATOM 0 H ASN A 35 -4.024 5.973 -7.900 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.981 7.218 -5.483 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.641 7.871 -6.720 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.656 7.564 -4.995 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.205 11.205 -5.349 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.450 9.989 -5.657 1.00 0.00 H new ATOM 542 N GLY A 36 -4.979 4.678 -6.114 1.00 0.00 N ATOM 543 CA GLY A 36 -5.420 3.389 -5.593 1.00 0.00 C ATOM 544 C GLY A 36 -6.231 2.573 -6.592 1.00 0.00 C ATOM 545 O GLY A 36 -6.067 1.356 -6.675 1.00 0.00 O ATOM 0 H GLY A 36 -5.244 4.860 -7.082 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.547 2.812 -5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.021 3.554 -4.699 1.00 0.00 H new ATOM 549 N ASN A 37 -7.109 3.238 -7.350 1.00 0.00 N ATOM 550 CA ASN A 37 -7.948 2.555 -8.343 1.00 0.00 C ATOM 551 C ASN A 37 -7.104 1.873 -9.421 1.00 0.00 C ATOM 552 O ASN A 37 -7.310 0.693 -9.711 1.00 0.00 O ATOM 553 CB ASN A 37 -8.941 3.535 -8.978 1.00 0.00 C ATOM 554 CG ASN A 37 -10.358 3.300 -8.498 1.00 0.00 C ATOM 555 OD1 ASN A 37 -11.188 2.754 -9.217 1.00 0.00 O ATOM 556 ND2 ASN A 37 -10.641 3.698 -7.267 1.00 0.00 N ATOM 0 H ASN A 37 -7.258 4.246 -7.296 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.508 1.779 -7.821 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.643 4.557 -8.742 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.905 3.435 -10.063 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.576 3.554 -6.887 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.924 4.149 -6.699 1.00 0.00 H new ATOM 563 N GLU A 38 -6.146 2.604 -9.990 1.00 0.00 N ATOM 564 CA GLU A 38 -5.257 2.042 -11.014 1.00 0.00 C ATOM 565 C GLU A 38 -4.716 0.695 -10.542 1.00 0.00 C ATOM 566 O GLU A 38 -4.730 -0.296 -11.281 1.00 0.00 O ATOM 567 CB GLU A 38 -4.098 2.996 -11.284 1.00 0.00 C ATOM 568 CG GLU A 38 -4.060 3.545 -12.702 1.00 0.00 C ATOM 569 CD GLU A 38 -2.777 4.296 -13.009 1.00 0.00 C ATOM 570 OE1 GLU A 38 -1.750 4.023 -12.350 1.00 0.00 O ATOM 571 OE2 GLU A 38 -2.802 5.159 -13.907 1.00 0.00 O ATOM 0 H GLU A 38 -5.964 3.582 -9.763 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.822 1.902 -11.936 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.158 3.830 -10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.161 2.478 -11.082 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.172 2.722 -13.408 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.910 4.211 -12.852 1.00 0.00 H new ATOM 578 N VAL A 39 -4.274 0.666 -9.285 1.00 0.00 N ATOM 579 CA VAL A 39 -3.759 -0.555 -8.672 1.00 0.00 C ATOM 580 C VAL A 39 -4.825 -1.652 -8.721 1.00 0.00 C ATOM 581 O VAL A 39 -4.535 -2.795 -9.063 1.00 0.00 O ATOM 582 CB VAL A 39 -3.320 -0.324 -7.205 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.363 -1.412 -6.757 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.674 1.044 -7.034 1.00 0.00 C ATOM 0 H VAL A 39 -4.263 1.479 -8.670 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.881 -0.863 -9.240 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.213 -0.361 -6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.066 -1.232 -5.724 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.855 -2.382 -6.830 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.479 -1.405 -7.395 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.376 1.178 -5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.795 1.114 -7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.388 1.820 -7.310 1.00 0.00 H new ATOM 594 N LEU A 40 -6.073 -1.282 -8.412 1.00 0.00 N ATOM 595 CA LEU A 40 -7.199 -2.225 -8.457 1.00 0.00 C ATOM 596 C LEU A 40 -7.355 -2.822 -9.864 1.00 0.00 C ATOM 597 O LEU A 40 -7.873 -3.934 -10.023 1.00 0.00 O ATOM 598 CB LEU A 40 -8.501 -1.531 -8.031 1.00 0.00 C ATOM 599 CG LEU A 40 -8.423 -0.725 -6.731 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.745 -0.037 -6.450 1.00 0.00 C ATOM 601 CD2 LEU A 40 -8.034 -1.617 -5.564 1.00 0.00 C ATOM 0 H LEU A 40 -6.330 -0.337 -8.128 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.989 -3.035 -7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.816 -0.864 -8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.277 -2.288 -7.923 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.653 0.037 -6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.670 0.531 -5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.985 0.639 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.532 -0.785 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.985 -1.022 -4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.778 -2.404 -5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.059 -2.065 -5.758 1.00 0.00 H new ATOM 613 N ALA A 41 -6.890 -2.083 -10.877 1.00 0.00 N ATOM 614 CA ALA A 41 -6.946 -2.536 -12.264 1.00 0.00 C ATOM 615 C ALA A 41 -5.730 -3.408 -12.583 1.00 0.00 C ATOM 616 O ALA A 41 -5.875 -4.551 -13.015 1.00 0.00 O ATOM 617 CB ALA A 41 -7.020 -1.339 -13.207 1.00 0.00 C ATOM 0 H ALA A 41 -6.468 -1.162 -10.757 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.844 -3.137 -12.405 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.061 -1.690 -14.238 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.914 -0.756 -12.986 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.137 -0.714 -13.072 1.00 0.00 H new ATOM 623 N ALA A 42 -4.532 -2.868 -12.339 1.00 0.00 N ATOM 624 CA ALA A 42 -3.287 -3.604 -12.578 1.00 0.00 C ATOM 625 C ALA A 42 -3.229 -4.876 -11.723 1.00 0.00 C ATOM 626 O ALA A 42 -2.798 -5.933 -12.190 1.00 0.00 O ATOM 627 CB ALA A 42 -2.085 -2.710 -12.295 1.00 0.00 C ATOM 0 H ALA A 42 -4.398 -1.924 -11.976 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.260 -3.904 -13.626 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.166 -3.268 -12.476 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.116 -1.840 -12.951 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.112 -2.382 -11.256 1.00 0.00 H new ATOM 633 N LEU A 43 -3.681 -4.767 -10.472 1.00 0.00 N ATOM 634 CA LEU A 43 -3.703 -5.904 -9.547 1.00 0.00 C ATOM 635 C LEU A 43 -4.498 -7.080 -10.127 1.00 0.00 C ATOM 636 O LEU A 43 -4.254 -8.236 -9.777 1.00 0.00 O ATOM 637 CB LEU A 43 -4.302 -5.481 -8.199 1.00 0.00 C ATOM 638 CG LEU A 43 -3.317 -4.814 -7.241 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.045 -4.069 -6.138 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.383 -5.847 -6.648 1.00 0.00 C ATOM 0 H LEU A 43 -4.039 -3.899 -10.074 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.674 -6.231 -9.396 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.128 -4.795 -8.384 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.722 -6.361 -7.712 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.732 -4.090 -7.808 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.318 -3.605 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.679 -3.299 -6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.661 -4.768 -5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.686 -5.359 -5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.963 -6.591 -6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.827 -6.336 -7.448 1.00 0.00 H new ATOM 652 N ALA A 44 -5.444 -6.777 -11.021 1.00 0.00 N ATOM 653 CA ALA A 44 -6.267 -7.806 -11.657 1.00 0.00 C ATOM 654 C ALA A 44 -5.415 -8.851 -12.388 1.00 0.00 C ATOM 655 O ALA A 44 -5.854 -9.984 -12.581 1.00 0.00 O ATOM 656 CB ALA A 44 -7.259 -7.161 -12.619 1.00 0.00 C ATOM 0 H ALA A 44 -5.658 -5.826 -11.320 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.814 -8.326 -10.870 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.867 -7.935 -13.088 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.904 -6.475 -12.070 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.716 -6.612 -13.388 1.00 0.00 H new ATOM 662 N SER A 45 -4.203 -8.470 -12.796 1.00 0.00 N ATOM 663 CA SER A 45 -3.313 -9.393 -13.506 1.00 0.00 C ATOM 664 C SER A 45 -1.969 -9.577 -12.784 1.00 0.00 C ATOM 665 O SER A 45 -0.970 -9.938 -13.409 1.00 0.00 O ATOM 666 CB SER A 45 -3.080 -8.897 -14.937 1.00 0.00 C ATOM 667 OG SER A 45 -3.383 -9.910 -15.884 1.00 0.00 O ATOM 0 H SER A 45 -3.817 -7.537 -12.649 1.00 0.00 H new ATOM 0 HA SER A 45 -3.803 -10.366 -13.530 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.699 -8.020 -15.127 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.042 -8.585 -15.053 1.00 0.00 H new ATOM 0 HG SER A 45 -3.228 -9.568 -16.789 1.00 0.00 H new ATOM 673 N LYS A 46 -1.944 -9.340 -11.464 1.00 0.00 N ATOM 674 CA LYS A 46 -0.713 -9.496 -10.672 1.00 0.00 C ATOM 675 C LYS A 46 -0.890 -9.019 -9.225 1.00 0.00 C ATOM 676 O LYS A 46 -1.357 -7.908 -8.981 1.00 0.00 O ATOM 677 CB LYS A 46 0.445 -8.725 -11.317 1.00 0.00 C ATOM 678 CG LYS A 46 1.792 -9.414 -11.165 1.00 0.00 C ATOM 679 CD LYS A 46 2.737 -8.607 -10.286 1.00 0.00 C ATOM 680 CE LYS A 46 4.108 -8.471 -10.926 1.00 0.00 C ATOM 681 NZ LYS A 46 4.702 -7.123 -10.683 1.00 0.00 N ATOM 0 H LYS A 46 -2.756 -9.041 -10.924 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.485 -10.562 -10.654 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.234 -8.588 -12.377 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.502 -7.731 -10.872 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.648 -10.404 -10.733 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.241 -9.557 -12.148 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.316 -7.617 -10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.834 -9.090 -9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.772 -9.238 -10.528 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.027 -8.644 -11.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.598 -6.539 -11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.211 -6.665 -9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.711 -7.225 -10.454 1.00 0.00 H new ATOM 695 N THR A 47 -0.486 -9.859 -8.270 1.00 0.00 N ATOM 696 CA THR A 47 -0.578 -9.513 -6.847 1.00 0.00 C ATOM 697 C THR A 47 0.817 -9.310 -6.243 1.00 0.00 C ATOM 698 O THR A 47 1.632 -10.234 -6.231 1.00 0.00 O ATOM 699 CB THR A 47 -1.332 -10.601 -6.069 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.721 -10.541 -6.341 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.171 -10.493 -4.568 1.00 0.00 C ATOM 0 H THR A 47 -0.093 -10.782 -8.454 1.00 0.00 H new ATOM 0 HA THR A 47 -1.132 -8.578 -6.767 1.00 0.00 H new ATOM 0 HB THR A 47 -0.894 -11.541 -6.404 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.184 -11.243 -5.837 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.730 -11.293 -4.084 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.116 -10.579 -4.308 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.551 -9.529 -4.230 1.00 0.00 H new ATOM 709 N PRO A 48 1.108 -8.094 -5.740 1.00 0.00 N ATOM 710 CA PRO A 48 2.407 -7.769 -5.133 1.00 0.00 C ATOM 711 C PRO A 48 2.525 -8.256 -3.683 1.00 0.00 C ATOM 712 O PRO A 48 1.527 -8.338 -2.963 1.00 0.00 O ATOM 713 CB PRO A 48 2.422 -6.242 -5.187 1.00 0.00 C ATOM 714 CG PRO A 48 0.992 -5.858 -5.033 1.00 0.00 C ATOM 715 CD PRO A 48 0.197 -6.931 -5.728 1.00 0.00 C ATOM 0 HA PRO A 48 3.237 -8.249 -5.651 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.036 -5.821 -4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.832 -5.881 -6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.718 -5.789 -3.980 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.800 -4.881 -5.477 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.727 -7.153 -5.195 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.082 -6.631 -6.738 1.00 0.00 H new ATOM 723 N ASP A 49 3.752 -8.560 -3.259 1.00 0.00 N ATOM 724 CA ASP A 49 4.012 -9.024 -1.893 1.00 0.00 C ATOM 725 C ASP A 49 3.595 -7.968 -0.851 1.00 0.00 C ATOM 726 O ASP A 49 3.181 -8.308 0.258 1.00 0.00 O ATOM 727 CB ASP A 49 5.499 -9.374 -1.734 1.00 0.00 C ATOM 728 CG ASP A 49 5.960 -10.441 -2.704 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.714 -11.635 -2.437 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.574 -10.082 -3.729 1.00 0.00 O ATOM 0 H ASP A 49 4.585 -8.493 -3.843 1.00 0.00 H new ATOM 0 HA ASP A 49 3.412 -9.917 -1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.097 -8.474 -1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.680 -9.714 -0.714 1.00 0.00 H new ATOM 735 N VAL A 50 3.704 -6.689 -1.223 1.00 0.00 N ATOM 736 CA VAL A 50 3.334 -5.581 -0.335 1.00 0.00 C ATOM 737 C VAL A 50 2.826 -4.377 -1.148 1.00 0.00 C ATOM 738 O VAL A 50 3.351 -4.077 -2.225 1.00 0.00 O ATOM 739 CB VAL A 50 4.522 -5.160 0.563 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.714 -4.725 -0.275 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.115 -4.055 1.527 1.00 0.00 C ATOM 0 H VAL A 50 4.047 -6.394 -2.137 1.00 0.00 H new ATOM 0 HA VAL A 50 2.529 -5.930 0.311 1.00 0.00 H new ATOM 0 HB VAL A 50 4.817 -6.031 1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.534 -4.435 0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.033 -5.551 -0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.431 -3.877 -0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.969 -3.779 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.779 -3.185 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.305 -4.409 2.164 1.00 0.00 H new ATOM 751 N LEU A 51 1.784 -3.706 -0.651 1.00 0.00 N ATOM 752 CA LEU A 51 1.200 -2.563 -1.365 1.00 0.00 C ATOM 753 C LEU A 51 0.904 -1.368 -0.439 1.00 0.00 C ATOM 754 O LEU A 51 0.522 -1.538 0.718 1.00 0.00 O ATOM 755 CB LEU A 51 -0.077 -3.028 -2.081 1.00 0.00 C ATOM 756 CG LEU A 51 -0.963 -1.924 -2.662 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.586 -1.637 -4.103 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.423 -2.322 -2.572 1.00 0.00 C ATOM 0 H LEU A 51 1.329 -3.930 0.234 1.00 0.00 H new ATOM 0 HA LEU A 51 1.931 -2.206 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.209 -3.700 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.672 -3.611 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.808 -1.016 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.228 -0.849 -4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.454 -1.315 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.713 -2.541 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.043 -1.528 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.585 -3.242 -3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.693 -2.483 -1.528 1.00 0.00 H new ATOM 770 N LEU A 52 1.081 -0.158 -0.978 1.00 0.00 N ATOM 771 CA LEU A 52 0.837 1.093 -0.247 1.00 0.00 C ATOM 772 C LEU A 52 -0.098 2.005 -1.054 1.00 0.00 C ATOM 773 O LEU A 52 0.077 2.127 -2.260 1.00 0.00 O ATOM 774 CB LEU A 52 2.168 1.812 0.009 1.00 0.00 C ATOM 775 CG LEU A 52 3.178 1.036 0.856 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.568 1.126 0.248 1.00 0.00 C ATOM 777 CD2 LEU A 52 3.188 1.558 2.282 1.00 0.00 C ATOM 0 H LEU A 52 1.399 -0.016 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 52 0.364 0.858 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.627 2.044 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.960 2.762 0.501 1.00 0.00 H new ATOM 0 HG LEU A 52 2.878 -0.012 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.272 0.568 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.553 0.705 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.877 2.170 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.912 0.995 2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.463 2.613 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.196 1.442 2.719 1.00 0.00 H new ATOM 789 N SER A 53 -1.089 2.627 -0.396 1.00 0.00 N ATOM 790 CA SER A 53 -2.049 3.514 -1.094 1.00 0.00 C ATOM 791 C SER A 53 -2.433 4.751 -0.265 1.00 0.00 C ATOM 792 O SER A 53 -2.537 4.673 0.960 1.00 0.00 O ATOM 793 CB SER A 53 -3.325 2.732 -1.436 1.00 0.00 C ATOM 794 OG SER A 53 -3.605 2.771 -2.830 1.00 0.00 O ATOM 0 H SER A 53 -1.251 2.538 0.607 1.00 0.00 H new ATOM 0 HA SER A 53 -1.551 3.863 -1.999 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.215 1.696 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.167 3.149 -0.883 1.00 0.00 H new ATOM 0 HG SER A 53 -3.723 3.701 -3.114 1.00 0.00 H new ATOM 800 N ASP A 54 -2.668 5.881 -0.953 1.00 0.00 N ATOM 801 CA ASP A 54 -3.071 7.139 -0.299 1.00 0.00 C ATOM 802 C ASP A 54 -4.492 7.021 0.279 1.00 0.00 C ATOM 803 O ASP A 54 -5.040 5.914 0.393 1.00 0.00 O ATOM 804 CB ASP A 54 -2.962 8.310 -1.305 1.00 0.00 C ATOM 805 CG ASP A 54 -2.992 9.706 -0.669 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.429 9.877 0.455 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.562 10.617 -1.321 1.00 0.00 O ATOM 0 H ASP A 54 -2.585 5.949 -1.967 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.398 7.340 0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.035 8.202 -1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.781 8.234 -2.021 1.00 0.00 H new ATOM 812 N ILE A 55 -5.076 8.143 0.680 1.00 0.00 N ATOM 813 CA ILE A 55 -6.398 8.136 1.278 1.00 0.00 C ATOM 814 C ILE A 55 -7.100 9.504 1.154 1.00 0.00 C ATOM 815 O ILE A 55 -7.584 10.059 2.138 1.00 0.00 O ATOM 816 CB ILE A 55 -6.269 7.715 2.769 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.557 7.953 3.558 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.122 8.469 3.420 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.802 6.914 4.624 1.00 0.00 C ATOM 0 H ILE A 55 -4.652 9.067 0.601 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.020 7.420 0.740 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.071 6.643 2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.514 8.938 4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.401 7.963 2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.036 8.170 4.465 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.193 8.238 2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.313 9.541 3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.731 7.141 5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.877 5.929 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.975 6.920 5.335 1.00 0.00 H new ATOM 831 N ARG A 56 -7.159 10.058 -0.054 1.00 0.00 N ATOM 832 CA ARG A 56 -7.800 11.361 -0.238 1.00 0.00 C ATOM 833 C ARG A 56 -8.357 11.551 -1.661 1.00 0.00 C ATOM 834 O ARG A 56 -7.798 12.292 -2.474 1.00 0.00 O ATOM 835 CB ARG A 56 -6.784 12.454 0.121 1.00 0.00 C ATOM 836 CG ARG A 56 -7.225 13.863 -0.222 1.00 0.00 C ATOM 837 CD ARG A 56 -6.367 14.435 -1.334 1.00 0.00 C ATOM 838 NE ARG A 56 -6.523 15.885 -1.439 1.00 0.00 N ATOM 839 CZ ARG A 56 -5.827 16.755 -0.734 1.00 0.00 C ATOM 840 NH1 ARG A 56 -4.888 16.348 0.096 1.00 0.00 N ATOM 841 NH2 ARG A 56 -6.066 18.039 -0.872 1.00 0.00 N ATOM 0 H ARG A 56 -6.781 9.639 -0.903 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.664 11.425 0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.577 12.402 1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.847 12.245 -0.396 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.271 13.858 -0.528 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.155 14.497 0.662 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.320 14.193 -1.149 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.639 13.969 -2.281 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.213 16.246 -2.098 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.694 15.352 0.198 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.355 17.029 0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.786 18.357 -1.521 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.532 18.718 -0.330 1.00 0.00 H new ATOM 855 N MET A 57 -9.475 10.888 -1.960 1.00 0.00 N ATOM 856 CA MET A 57 -10.102 10.998 -3.285 1.00 0.00 C ATOM 857 C MET A 57 -11.346 10.113 -3.410 1.00 0.00 C ATOM 858 O MET A 57 -12.449 10.617 -3.635 1.00 0.00 O ATOM 859 CB MET A 57 -9.091 10.640 -4.380 1.00 0.00 C ATOM 860 CG MET A 57 -8.918 11.728 -5.428 1.00 0.00 C ATOM 861 SD MET A 57 -10.117 11.600 -6.772 1.00 0.00 S ATOM 862 CE MET A 57 -10.905 13.205 -6.693 1.00 0.00 C ATOM 0 H MET A 57 -9.965 10.273 -1.310 1.00 0.00 H new ATOM 0 HA MET A 57 -10.422 12.033 -3.408 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.125 10.435 -3.918 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.411 9.721 -4.872 1.00 0.00 H new ATOM 0 HG2 MET A 57 -9.015 12.704 -4.952 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.910 11.673 -5.840 1.00 0.00 H new ATOM 0 HE1 MET A 57 -11.671 13.273 -7.466 1.00 0.00 H new ATOM 0 HE2 MET A 57 -11.365 13.337 -5.714 1.00 0.00 H new ATOM 0 HE3 MET A 57 -10.160 13.984 -6.851 1.00 0.00 H new ATOM 872 N PRO A 58 -11.186 8.779 -3.275 1.00 0.00 N ATOM 873 CA PRO A 58 -12.304 7.833 -3.377 1.00 0.00 C ATOM 874 C PRO A 58 -13.505 8.250 -2.522 1.00 0.00 C ATOM 875 O PRO A 58 -13.345 8.934 -1.514 1.00 0.00 O ATOM 876 CB PRO A 58 -11.716 6.505 -2.866 1.00 0.00 C ATOM 877 CG PRO A 58 -10.341 6.818 -2.358 1.00 0.00 C ATOM 878 CD PRO A 58 -9.912 8.094 -3.015 1.00 0.00 C ATOM 0 HA PRO A 58 -12.686 7.776 -4.396 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.336 6.085 -2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.675 5.765 -3.665 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.346 6.925 -1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.649 6.010 -2.595 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.263 8.683 -2.367 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.359 7.907 -3.936 1.00 0.00 H new ATOM 886 N GLY A 59 -14.709 7.823 -2.931 1.00 0.00 N ATOM 887 CA GLY A 59 -15.933 8.153 -2.189 1.00 0.00 C ATOM 888 C GLY A 59 -15.756 8.111 -0.677 1.00 0.00 C ATOM 889 O GLY A 59 -16.340 8.918 0.041 1.00 0.00 O ATOM 0 H GLY A 59 -14.860 7.254 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -16.268 9.149 -2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.721 7.456 -2.474 1.00 0.00 H new ATOM 893 N MET A 60 -14.940 7.173 -0.200 1.00 0.00 N ATOM 894 CA MET A 60 -14.669 7.028 1.228 1.00 0.00 C ATOM 895 C MET A 60 -13.264 7.537 1.579 1.00 0.00 C ATOM 896 O MET A 60 -12.458 6.797 2.151 1.00 0.00 O ATOM 897 CB MET A 60 -14.818 5.558 1.634 1.00 0.00 C ATOM 898 CG MET A 60 -15.746 5.347 2.816 1.00 0.00 C ATOM 899 SD MET A 60 -16.705 3.826 2.691 1.00 0.00 S ATOM 900 CE MET A 60 -17.908 4.102 3.987 1.00 0.00 C ATOM 0 H MET A 60 -14.452 6.497 -0.788 1.00 0.00 H new ATOM 0 HA MET A 60 -15.390 7.631 1.780 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.193 4.990 0.782 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.835 5.155 1.878 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.158 5.326 3.734 1.00 0.00 H new ATOM 0 HG3 MET A 60 -16.427 6.195 2.893 1.00 0.00 H new ATOM 0 HE1 MET A 60 -18.637 3.291 3.986 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.402 4.134 4.952 1.00 0.00 H new ATOM 0 HE3 MET A 60 -18.419 5.049 3.814 1.00 0.00 H new ATOM 910 N ASP A 61 -12.980 8.799 1.225 1.00 0.00 N ATOM 911 CA ASP A 61 -11.676 9.421 1.494 1.00 0.00 C ATOM 912 C ASP A 61 -10.525 8.624 0.858 1.00 0.00 C ATOM 913 O ASP A 61 -9.966 9.022 -0.165 1.00 0.00 O ATOM 914 CB ASP A 61 -11.475 9.554 3.012 1.00 0.00 C ATOM 915 CG ASP A 61 -10.816 10.856 3.419 1.00 0.00 C ATOM 916 OD1 ASP A 61 -10.079 11.439 2.598 1.00 0.00 O ATOM 917 OD2 ASP A 61 -11.040 11.289 4.569 1.00 0.00 O ATOM 0 H ASP A 61 -13.641 9.412 0.748 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.667 10.412 1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.443 9.474 3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.867 8.721 3.365 1.00 0.00 H new ATOM 922 N GLY A 62 -10.196 7.490 1.471 1.00 0.00 N ATOM 923 CA GLY A 62 -9.131 6.628 0.976 1.00 0.00 C ATOM 924 C GLY A 62 -9.383 5.168 1.267 1.00 0.00 C ATOM 925 O GLY A 62 -9.295 4.323 0.372 1.00 0.00 O ATOM 0 H GLY A 62 -10.655 7.147 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.026 6.767 -0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.186 6.927 1.430 1.00 0.00 H new ATOM 929 N LEU A 63 -9.708 4.870 2.528 1.00 0.00 N ATOM 930 CA LEU A 63 -9.994 3.497 2.962 1.00 0.00 C ATOM 931 C LEU A 63 -10.882 2.769 1.947 1.00 0.00 C ATOM 932 O LEU A 63 -10.793 1.548 1.802 1.00 0.00 O ATOM 933 CB LEU A 63 -10.645 3.489 4.352 1.00 0.00 C ATOM 934 CG LEU A 63 -10.149 4.572 5.314 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.091 5.759 5.305 1.00 0.00 C ATOM 936 CD2 LEU A 63 -10.012 4.025 6.722 1.00 0.00 C ATOM 0 H LEU A 63 -9.780 5.565 3.271 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.046 2.963 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.723 3.600 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.474 2.514 4.809 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.166 4.899 4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.724 6.520 5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.142 6.175 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.085 5.437 5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.658 4.814 7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.981 3.666 7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.298 3.201 6.724 1.00 0.00 H new ATOM 948 N ALA A 64 -11.716 3.525 1.217 1.00 0.00 N ATOM 949 CA ALA A 64 -12.578 2.943 0.188 1.00 0.00 C ATOM 950 C ALA A 64 -11.774 1.989 -0.705 1.00 0.00 C ATOM 951 O ALA A 64 -12.265 0.928 -1.095 1.00 0.00 O ATOM 952 CB ALA A 64 -13.223 4.044 -0.650 1.00 0.00 C ATOM 0 H ALA A 64 -11.809 4.535 1.322 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.368 2.374 0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.861 3.595 -1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.823 4.687 -0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.446 4.637 -1.132 1.00 0.00 H new ATOM 958 N LEU A 65 -10.521 2.367 -1.000 1.00 0.00 N ATOM 959 CA LEU A 65 -9.626 1.541 -1.819 1.00 0.00 C ATOM 960 C LEU A 65 -9.518 0.132 -1.237 1.00 0.00 C ATOM 961 O LEU A 65 -9.646 -0.860 -1.957 1.00 0.00 O ATOM 962 CB LEU A 65 -8.232 2.175 -1.907 1.00 0.00 C ATOM 963 CG LEU A 65 -8.183 3.586 -2.490 1.00 0.00 C ATOM 964 CD1 LEU A 65 -6.807 4.187 -2.277 1.00 0.00 C ATOM 965 CD2 LEU A 65 -8.532 3.564 -3.966 1.00 0.00 C ATOM 0 H LEU A 65 -10.105 3.242 -0.682 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.047 1.479 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.800 2.200 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.596 1.529 -2.513 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.919 4.204 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.781 5.193 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.591 4.232 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.059 3.568 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.492 4.578 -4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.818 2.936 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.537 3.162 -4.096 1.00 0.00 H new ATOM 977 N LEU A 66 -9.319 0.053 0.080 1.00 0.00 N ATOM 978 CA LEU A 66 -9.240 -1.231 0.774 1.00 0.00 C ATOM 979 C LEU A 66 -10.517 -2.036 0.514 1.00 0.00 C ATOM 980 O LEU A 66 -10.465 -3.239 0.250 1.00 0.00 O ATOM 981 CB LEU A 66 -9.046 -1.015 2.280 1.00 0.00 C ATOM 982 CG LEU A 66 -7.645 -0.573 2.711 1.00 0.00 C ATOM 983 CD1 LEU A 66 -6.605 -1.566 2.233 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.318 0.815 2.182 1.00 0.00 C ATOM 0 H LEU A 66 -9.210 0.865 0.687 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.383 -1.787 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.763 -0.266 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.289 -1.944 2.796 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.629 -0.537 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.615 -1.236 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.814 -2.546 2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.637 -1.631 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.317 1.101 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.360 0.809 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.042 1.532 2.569 1.00 0.00 H new ATOM 996 N LYS A 67 -11.662 -1.343 0.557 1.00 0.00 N ATOM 997 CA LYS A 67 -12.957 -1.972 0.294 1.00 0.00 C ATOM 998 C LYS A 67 -12.959 -2.617 -1.101 1.00 0.00 C ATOM 999 O LYS A 67 -13.607 -3.643 -1.319 1.00 0.00 O ATOM 1000 CB LYS A 67 -14.093 -0.938 0.410 1.00 0.00 C ATOM 1001 CG LYS A 67 -15.390 -1.501 0.991 1.00 0.00 C ATOM 1002 CD LYS A 67 -16.570 -0.574 0.720 1.00 0.00 C ATOM 1003 CE LYS A 67 -17.227 -0.085 2.002 1.00 0.00 C ATOM 1004 NZ LYS A 67 -18.696 -0.362 2.005 1.00 0.00 N ATOM 0 H LYS A 67 -11.715 -0.347 0.772 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.124 -2.750 1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.756 -0.112 1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.298 -0.527 -0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.589 -2.481 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.277 -1.644 2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.230 0.283 0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.308 -1.098 0.113 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.762 -0.572 2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.057 0.986 2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -19.113 -0.016 2.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.142 0.123 1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.856 -1.386 1.923 1.00 0.00 H new ATOM 1018 N GLN A 68 -12.209 -2.015 -2.030 1.00 0.00 N ATOM 1019 CA GLN A 68 -12.093 -2.524 -3.397 1.00 0.00 C ATOM 1020 C GLN A 68 -11.048 -3.646 -3.467 1.00 0.00 C ATOM 1021 O GLN A 68 -11.293 -4.699 -4.063 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.722 -1.384 -4.355 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.550 -0.112 -4.158 1.00 0.00 C ATOM 1024 CD GLN A 68 -14.010 -0.282 -4.536 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.676 -1.212 -4.091 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -14.515 0.618 -5.362 1.00 0.00 N ATOM 0 H GLN A 68 -11.669 -1.167 -1.856 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.056 -2.935 -3.699 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.667 -1.142 -4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.845 -1.731 -5.381 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.486 0.197 -3.115 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.118 0.691 -4.756 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.929 1.377 -5.710 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.491 0.554 -5.651 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.893 -3.418 -2.835 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.813 -4.411 -2.795 1.00 0.00 C ATOM 1037 C ILE A 69 -9.344 -5.763 -2.330 1.00 0.00 C ATOM 1038 O ILE A 69 -9.186 -6.776 -3.013 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.686 -3.968 -1.829 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.926 -2.774 -2.395 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.718 -5.112 -1.533 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.436 -1.828 -1.324 1.00 0.00 C ATOM 0 H ILE A 69 -9.680 -2.551 -2.342 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.413 -4.496 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.159 -3.674 -0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.074 -3.133 -2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.573 -2.231 -3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.941 -4.764 -0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.261 -5.938 -1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.261 -5.451 -2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.903 -0.998 -1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.287 -1.443 -0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.765 -2.359 -0.649 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.971 -5.761 -1.156 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.526 -6.980 -0.566 1.00 0.00 C ATOM 1056 C LYS A 70 -11.644 -7.618 -1.414 1.00 0.00 C ATOM 1057 O LYS A 70 -12.122 -8.702 -1.086 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.013 -6.685 0.859 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.371 -6.013 0.936 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.375 -6.910 1.636 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.774 -6.329 1.594 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.799 -7.395 1.394 1.00 0.00 N ATOM 0 H LYS A 70 -10.109 -4.924 -0.590 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.725 -7.718 -0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.053 -7.621 1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.279 -6.050 1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.285 -5.068 1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.724 -5.779 -0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.375 -7.893 1.164 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.072 -7.054 2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.977 -5.797 2.523 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.843 -5.600 0.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.746 -6.966 1.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.618 -7.886 0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.748 -8.077 2.178 1.00 0.00 H new ATOM 1076 N GLN A 71 -12.050 -6.962 -2.506 1.00 0.00 N ATOM 1077 CA GLN A 71 -13.090 -7.506 -3.382 1.00 0.00 C ATOM 1078 C GLN A 71 -12.474 -8.402 -4.465 1.00 0.00 C ATOM 1079 O GLN A 71 -13.080 -9.387 -4.890 1.00 0.00 O ATOM 1080 CB GLN A 71 -13.889 -6.372 -4.032 1.00 0.00 C ATOM 1081 CG GLN A 71 -15.280 -6.178 -3.444 1.00 0.00 C ATOM 1082 CD GLN A 71 -15.914 -4.870 -3.870 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -16.892 -4.850 -4.607 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -15.359 -3.767 -3.399 1.00 0.00 N ATOM 0 H GLN A 71 -11.677 -6.060 -2.802 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.764 -8.109 -2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.330 -5.442 -3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.982 -6.572 -5.099 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -15.920 -7.005 -3.752 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.219 -6.211 -2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.545 -3.827 -2.787 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.745 -2.856 -3.647 1.00 0.00 H new ATOM 1093 N ARG A 72 -11.267 -8.051 -4.906 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.566 -8.823 -5.938 1.00 0.00 C ATOM 1095 C ARG A 72 -9.350 -9.559 -5.368 1.00 0.00 C ATOM 1096 O ARG A 72 -8.898 -10.558 -5.932 1.00 0.00 O ATOM 1097 CB ARG A 72 -10.115 -7.897 -7.065 1.00 0.00 C ATOM 1098 CG ARG A 72 -11.190 -6.934 -7.531 1.00 0.00 C ATOM 1099 CD ARG A 72 -10.772 -6.228 -8.805 1.00 0.00 C ATOM 1100 NE ARG A 72 -11.930 -5.870 -9.624 1.00 0.00 N ATOM 1101 CZ ARG A 72 -11.899 -5.021 -10.636 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -10.779 -4.415 -10.976 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -13.001 -4.781 -11.311 1.00 0.00 N ATOM 0 H ARG A 72 -10.752 -7.238 -4.567 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.264 -9.567 -6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.249 -7.326 -6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.790 -8.502 -7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.120 -7.476 -7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.387 -6.198 -6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.209 -5.328 -8.556 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.105 -6.873 -9.378 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.824 -6.306 -9.398 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.921 -4.599 -10.456 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.770 -3.762 -11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.870 -5.248 -11.052 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.987 -4.127 -12.094 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.809 -9.046 -4.268 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.632 -9.634 -3.634 1.00 0.00 C ATOM 1119 C HIS A 73 -7.975 -10.192 -2.251 1.00 0.00 C ATOM 1120 O HIS A 73 -8.131 -9.436 -1.291 1.00 0.00 O ATOM 1121 CB HIS A 73 -6.525 -8.580 -3.528 1.00 0.00 C ATOM 1122 CG HIS A 73 -6.553 -7.581 -4.644 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -6.817 -7.921 -5.951 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -6.392 -6.240 -4.631 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -6.822 -6.831 -6.696 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -6.567 -5.796 -5.918 1.00 0.00 N ATOM 0 H HIS A 73 -9.169 -8.218 -3.793 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.281 -10.463 -4.249 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.621 -8.056 -2.577 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.556 -9.079 -3.520 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.983 -8.868 -6.291 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.167 -5.630 -3.768 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.004 -6.793 -7.760 1.00 0.00 H new ATOM 1135 N PRO A 74 -8.106 -11.530 -2.136 1.00 0.00 N ATOM 1136 CA PRO A 74 -8.439 -12.199 -0.871 1.00 0.00 C ATOM 1137 C PRO A 74 -7.630 -11.671 0.322 1.00 0.00 C ATOM 1138 O PRO A 74 -8.203 -11.165 1.284 1.00 0.00 O ATOM 1139 CB PRO A 74 -8.118 -13.680 -1.141 1.00 0.00 C ATOM 1140 CG PRO A 74 -7.486 -13.727 -2.499 1.00 0.00 C ATOM 1141 CD PRO A 74 -7.956 -12.502 -3.226 1.00 0.00 C ATOM 0 HA PRO A 74 -9.478 -12.023 -0.591 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.443 -14.077 -0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.023 -14.287 -1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -6.399 -13.740 -2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.778 -14.632 -3.032 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.234 -12.169 -3.971 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.897 -12.675 -3.749 1.00 0.00 H new ATOM 1149 N MET A 75 -6.302 -11.790 0.254 1.00 0.00 N ATOM 1150 CA MET A 75 -5.432 -11.316 1.336 1.00 0.00 C ATOM 1151 C MET A 75 -4.214 -10.572 0.783 1.00 0.00 C ATOM 1152 O MET A 75 -3.130 -11.142 0.636 1.00 0.00 O ATOM 1153 CB MET A 75 -4.988 -12.484 2.219 1.00 0.00 C ATOM 1154 CG MET A 75 -6.135 -13.159 2.953 1.00 0.00 C ATOM 1155 SD MET A 75 -5.713 -14.823 3.502 1.00 0.00 S ATOM 1156 CE MET A 75 -7.291 -15.651 3.331 1.00 0.00 C ATOM 0 H MET A 75 -5.807 -12.208 -0.534 1.00 0.00 H new ATOM 0 HA MET A 75 -6.006 -10.617 1.944 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.478 -13.223 1.601 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.263 -12.123 2.948 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.417 -12.555 3.816 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.005 -13.205 2.298 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.190 -16.693 3.634 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.030 -15.159 3.963 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.615 -15.606 2.291 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.404 -9.293 0.480 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.329 -8.462 -0.054 1.00 0.00 C ATOM 1168 C LEU A 76 -2.858 -7.443 0.989 1.00 0.00 C ATOM 1169 O LEU A 76 -3.651 -6.634 1.480 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.796 -7.741 -1.323 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.674 -7.129 -2.165 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -2.978 -7.255 -3.645 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -2.472 -5.675 -1.801 1.00 0.00 C ATOM 0 H LEU A 76 -5.294 -8.807 0.595 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.489 -9.110 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.351 -8.447 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.491 -6.950 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.756 -7.678 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.166 -6.813 -4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.078 -8.308 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.909 -6.735 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.671 -5.256 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.394 -5.123 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.206 -5.597 -0.747 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.554 -7.459 1.336 1.00 0.00 N ATOM 1186 CA PRO A 77 -0.982 -6.531 2.324 1.00 0.00 C ATOM 1187 C PRO A 77 -0.962 -5.076 1.841 1.00 0.00 C ATOM 1188 O PRO A 77 -0.003 -4.630 1.198 1.00 0.00 O ATOM 1189 CB PRO A 77 0.450 -7.052 2.538 1.00 0.00 C ATOM 1190 CG PRO A 77 0.499 -8.393 1.880 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.538 -8.376 0.797 1.00 0.00 C ATOM 0 HA PRO A 77 -1.579 -6.509 3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.182 -6.374 2.099 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.683 -7.129 3.600 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.489 -8.586 1.466 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.295 -9.186 2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.130 -8.018 -0.148 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.947 -9.369 0.612 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.026 -4.340 2.152 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.133 -2.936 1.753 1.00 0.00 C ATOM 1201 C VAL A 78 -1.890 -1.984 2.926 1.00 0.00 C ATOM 1202 O VAL A 78 -2.539 -2.085 3.969 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.512 -2.597 1.151 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.433 -1.290 0.380 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.019 -3.716 0.258 1.00 0.00 C ATOM 0 H VAL A 78 -2.826 -4.690 2.678 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.361 -2.799 0.996 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.223 -2.485 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.410 -1.057 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.128 -0.489 1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.704 -1.386 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.993 -3.444 -0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.316 -3.876 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.113 -4.632 0.841 1.00 0.00 H new ATOM 1215 N ILE A 79 -0.971 -1.048 2.726 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.640 -0.040 3.732 1.00 0.00 C ATOM 1217 C ILE A 79 -1.092 1.342 3.252 1.00 0.00 C ATOM 1218 O ILE A 79 -0.981 1.658 2.066 1.00 0.00 O ATOM 1219 CB ILE A 79 0.878 -0.007 4.020 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.396 -1.411 4.334 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.178 0.937 5.176 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.602 -1.816 3.514 1.00 0.00 C ATOM 0 H ILE A 79 -0.433 -0.964 1.863 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.160 -0.305 4.653 1.00 0.00 H new ATOM 0 HB ILE A 79 1.389 0.359 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.653 -1.465 5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.595 -2.130 4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.251 0.949 5.367 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.843 1.942 4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.655 0.596 6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.911 -2.823 3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.345 -1.796 2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.420 -1.121 3.702 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.607 2.159 4.164 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.077 3.500 3.805 1.00 0.00 C ATOM 1236 C ILE A 80 -1.156 4.582 4.368 1.00 0.00 C ATOM 1237 O ILE A 80 -0.519 4.387 5.405 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.526 3.739 4.288 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.401 2.522 3.978 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.120 4.979 3.637 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.294 2.041 2.544 1.00 0.00 C ATOM 0 H ILE A 80 -1.711 1.923 5.151 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.061 3.562 2.717 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.498 3.893 5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.124 1.707 4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.441 2.770 4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.140 5.124 3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.517 5.850 3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.129 4.853 2.554 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.942 1.176 2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.600 2.840 1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.263 1.760 2.330 1.00 0.00 H new ATOM 1253 N MET A 81 -1.083 5.712 3.665 1.00 0.00 N ATOM 1254 CA MET A 81 -0.225 6.829 4.076 1.00 0.00 C ATOM 1255 C MET A 81 -0.907 7.766 5.076 1.00 0.00 C ATOM 1256 O MET A 81 -0.265 8.675 5.581 1.00 0.00 O ATOM 1257 CB MET A 81 0.261 7.652 2.868 1.00 0.00 C ATOM 1258 CG MET A 81 -0.221 7.153 1.516 1.00 0.00 C ATOM 1259 SD MET A 81 0.475 5.551 1.073 1.00 0.00 S ATOM 1260 CE MET A 81 1.853 6.067 0.059 1.00 0.00 C ATOM 0 H MET A 81 -1.608 5.881 2.807 1.00 0.00 H new ATOM 0 HA MET A 81 0.631 6.368 4.568 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.066 8.684 2.995 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.351 7.661 2.868 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.309 7.081 1.527 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.042 7.882 0.750 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.473 5.203 -0.180 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.480 6.512 -0.863 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.448 6.802 0.601 1.00 0.00 H new ATOM 1270 N THR A 82 -2.192 7.554 5.371 1.00 0.00 N ATOM 1271 CA THR A 82 -2.892 8.416 6.333 1.00 0.00 C ATOM 1272 C THR A 82 -4.232 7.830 6.775 1.00 0.00 C ATOM 1273 O THR A 82 -4.832 7.000 6.089 1.00 0.00 O ATOM 1274 CB THR A 82 -3.108 9.822 5.759 1.00 0.00 C ATOM 1275 OG1 THR A 82 -1.912 10.569 5.797 1.00 0.00 O ATOM 1276 CG2 THR A 82 -4.129 10.634 6.508 1.00 0.00 C ATOM 0 H THR A 82 -2.761 6.810 4.968 1.00 0.00 H new ATOM 0 HA THR A 82 -2.249 8.480 7.211 1.00 0.00 H new ATOM 0 HB THR A 82 -3.459 9.649 4.742 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.178 9.997 6.105 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.226 11.615 6.043 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.091 10.123 6.481 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.810 10.753 7.544 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.700 8.291 7.932 1.00 0.00 N ATOM 1285 CA ALA A 83 -5.973 7.853 8.490 1.00 0.00 C ATOM 1286 C ALA A 83 -6.744 9.049 9.076 1.00 0.00 C ATOM 1287 O ALA A 83 -6.728 9.271 10.289 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.730 6.775 9.548 1.00 0.00 C ATOM 0 H ALA A 83 -4.208 8.976 8.506 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.585 7.424 7.696 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.684 6.450 9.963 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.225 5.924 9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.108 7.181 10.345 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.408 9.829 8.213 1.00 0.00 N ATOM 1295 CA HIS A 84 -8.166 10.999 8.684 1.00 0.00 C ATOM 1296 C HIS A 84 -9.593 10.619 9.096 1.00 0.00 C ATOM 1297 O HIS A 84 -9.962 10.770 10.261 1.00 0.00 O ATOM 1298 CB HIS A 84 -8.200 12.152 7.651 1.00 0.00 C ATOM 1299 CG HIS A 84 -7.630 11.834 6.302 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -6.372 12.224 5.907 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -8.164 11.181 5.248 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -6.157 11.824 4.663 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -7.230 11.190 4.244 1.00 0.00 N ATOM 0 H HIS A 84 -7.438 9.677 7.205 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.632 11.363 9.561 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.235 12.469 7.522 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -7.656 13.001 8.064 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.146 10.734 5.204 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -5.256 11.990 4.091 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.349 10.772 3.321 1.00 0.00 H new ATOM 1312 N SER A 85 -10.393 10.139 8.143 1.00 0.00 N ATOM 1313 CA SER A 85 -11.786 9.761 8.429 1.00 0.00 C ATOM 1314 C SER A 85 -12.092 8.300 8.074 1.00 0.00 C ATOM 1315 O SER A 85 -11.218 7.562 7.622 1.00 0.00 O ATOM 1316 CB SER A 85 -12.735 10.682 7.662 1.00 0.00 C ATOM 1317 OG SER A 85 -13.134 11.780 8.468 1.00 0.00 O ATOM 0 H SER A 85 -10.108 10.002 7.173 1.00 0.00 H new ATOM 0 HA SER A 85 -11.933 9.869 9.504 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.244 11.047 6.760 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.614 10.122 7.343 1.00 0.00 H new ATOM 0 HG SER A 85 -13.739 12.358 7.958 1.00 0.00 H new ATOM 1323 N ASP A 86 -13.360 7.909 8.278 1.00 0.00 N ATOM 1324 CA ASP A 86 -13.850 6.554 7.979 1.00 0.00 C ATOM 1325 C ASP A 86 -12.889 5.447 8.450 1.00 0.00 C ATOM 1326 O ASP A 86 -12.619 4.488 7.723 1.00 0.00 O ATOM 1327 CB ASP A 86 -14.127 6.439 6.478 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.432 7.093 6.090 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -15.587 8.305 6.340 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -16.301 6.391 5.542 1.00 0.00 O ATOM 0 H ASP A 86 -14.078 8.527 8.657 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.773 6.403 8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.311 6.901 5.923 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.150 5.387 6.194 1.00 0.00 H new ATOM 1335 N LEU A 87 -12.390 5.578 9.677 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.464 4.593 10.248 1.00 0.00 C ATOM 1337 C LEU A 87 -12.027 3.163 10.221 1.00 0.00 C ATOM 1338 O LEU A 87 -11.263 2.199 10.125 1.00 0.00 O ATOM 1339 CB LEU A 87 -11.086 4.994 11.679 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.587 4.957 12.000 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -9.178 3.562 12.435 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.758 5.405 10.803 1.00 0.00 C ATOM 0 H LEU A 87 -12.610 6.356 10.299 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.572 4.590 9.622 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.455 6.003 11.865 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.605 4.332 12.372 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.398 5.652 12.818 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.112 3.549 12.660 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.740 3.279 13.325 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.388 2.854 11.633 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.699 5.369 11.060 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.950 4.742 9.959 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.031 6.425 10.533 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.351 3.017 10.294 1.00 0.00 N ATOM 1355 CA ASP A 88 -13.972 1.690 10.261 1.00 0.00 C ATOM 1356 C ASP A 88 -13.505 0.893 9.035 1.00 0.00 C ATOM 1357 O ASP A 88 -13.303 -0.327 9.108 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.495 1.825 10.269 1.00 0.00 C ATOM 1359 CG ASP A 88 -16.021 2.194 11.637 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -16.033 3.397 11.961 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.412 1.276 12.385 1.00 0.00 O ATOM 0 H ASP A 88 -14.009 3.792 10.376 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.662 1.142 11.151 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.796 2.584 9.547 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.944 0.885 9.949 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.302 1.588 7.916 1.00 0.00 N ATOM 1367 CA ALA A 89 -12.826 0.946 6.695 1.00 0.00 C ATOM 1368 C ALA A 89 -11.401 0.408 6.886 1.00 0.00 C ATOM 1369 O ALA A 89 -11.017 -0.596 6.278 1.00 0.00 O ATOM 1370 CB ALA A 89 -12.906 1.915 5.528 1.00 0.00 C ATOM 0 H ALA A 89 -13.460 2.592 7.832 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.469 0.095 6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.548 1.425 4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.940 2.229 5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.287 2.788 5.737 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.631 1.055 7.767 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.274 0.611 8.072 1.00 0.00 C ATOM 1378 C ALA A 90 -9.335 -0.712 8.832 1.00 0.00 C ATOM 1379 O ALA A 90 -8.661 -1.680 8.473 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.531 1.663 8.888 1.00 0.00 C ATOM 0 H ALA A 90 -10.927 1.886 8.279 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.728 0.467 7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.522 1.311 9.104 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.477 2.592 8.321 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.061 1.839 9.824 1.00 0.00 H new ATOM 1386 N VAL A 91 -10.183 -0.753 9.865 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.370 -1.968 10.664 1.00 0.00 C ATOM 1388 C VAL A 91 -10.747 -3.147 9.766 1.00 0.00 C ATOM 1389 O VAL A 91 -10.240 -4.258 9.934 1.00 0.00 O ATOM 1390 CB VAL A 91 -11.456 -1.788 11.750 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -11.467 -2.984 12.687 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -11.232 -0.506 12.539 1.00 0.00 C ATOM 0 H VAL A 91 -10.750 0.040 10.167 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.421 -2.169 11.161 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.423 -1.718 11.253 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.236 -2.844 13.447 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.679 -3.890 12.119 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.494 -3.078 13.169 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.010 -0.404 13.296 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.256 -0.543 13.024 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.269 0.348 11.863 1.00 0.00 H new ATOM 1402 N SER A 92 -11.623 -2.893 8.790 1.00 0.00 N ATOM 1403 CA SER A 92 -12.042 -3.936 7.848 1.00 0.00 C ATOM 1404 C SER A 92 -10.882 -4.331 6.925 1.00 0.00 C ATOM 1405 O SER A 92 -10.836 -5.459 6.427 1.00 0.00 O ATOM 1406 CB SER A 92 -13.264 -3.505 7.018 1.00 0.00 C ATOM 1407 OG SER A 92 -13.338 -2.094 6.870 1.00 0.00 O ATOM 0 H SER A 92 -12.053 -1.982 8.631 1.00 0.00 H new ATOM 0 HA SER A 92 -12.335 -4.804 8.438 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.216 -3.970 6.034 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.173 -3.867 7.497 1.00 0.00 H new ATOM 0 HG SER A 92 -12.489 -1.757 6.515 1.00 0.00 H new ATOM 1413 N ALA A 93 -9.932 -3.411 6.722 1.00 0.00 N ATOM 1414 CA ALA A 93 -8.761 -3.685 5.887 1.00 0.00 C ATOM 1415 C ALA A 93 -7.901 -4.779 6.531 1.00 0.00 C ATOM 1416 O ALA A 93 -7.467 -5.716 5.862 1.00 0.00 O ATOM 1417 CB ALA A 93 -7.946 -2.414 5.674 1.00 0.00 C ATOM 0 H ALA A 93 -9.952 -2.474 7.124 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.100 -4.037 4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.080 -2.637 5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.564 -1.664 5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.611 -2.031 6.638 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.683 -4.666 7.839 1.00 0.00 N ATOM 1424 CA TYR A 94 -6.902 -5.661 8.578 1.00 0.00 C ATOM 1425 C TYR A 94 -7.592 -7.029 8.524 1.00 0.00 C ATOM 1426 O TYR A 94 -6.936 -8.069 8.545 1.00 0.00 O ATOM 1427 CB TYR A 94 -6.715 -5.213 10.034 1.00 0.00 C ATOM 1428 CG TYR A 94 -6.337 -3.752 10.177 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.292 -3.209 9.441 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -7.027 -2.917 11.044 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -4.946 -1.877 9.566 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -6.686 -1.582 11.172 1.00 0.00 C ATOM 1433 CZ TYR A 94 -5.645 -1.069 10.431 1.00 0.00 C ATOM 1434 OH TYR A 94 -5.296 0.253 10.561 1.00 0.00 O ATOM 0 H TYR A 94 -8.035 -3.898 8.410 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.921 -5.751 8.112 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.639 -5.396 10.583 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.942 -5.826 10.497 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.740 -3.839 8.759 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.843 -3.315 11.628 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.130 -1.472 8.986 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.234 -0.945 11.850 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.889 0.685 11.211 1.00 0.00 H new ATOM 1444 N GLN A 95 -8.925 -7.009 8.443 1.00 0.00 N ATOM 1445 CA GLN A 95 -9.728 -8.233 8.373 1.00 0.00 C ATOM 1446 C GLN A 95 -9.461 -9.016 7.076 1.00 0.00 C ATOM 1447 O GLN A 95 -9.449 -10.245 7.084 1.00 0.00 O ATOM 1448 CB GLN A 95 -11.219 -7.873 8.489 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.172 -8.855 7.801 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.257 -8.171 6.983 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -14.418 -8.558 7.025 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -12.888 -7.150 6.225 1.00 0.00 N ATOM 0 H GLN A 95 -9.475 -6.150 8.424 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.442 -8.879 9.203 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.483 -7.812 9.545 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.373 -6.881 8.064 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.596 -9.513 7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.640 -9.485 8.557 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.913 -6.851 6.211 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.579 -6.662 5.655 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.265 -8.298 5.966 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.011 -8.934 4.664 1.00 0.00 C ATOM 1463 C GLN A 96 -7.535 -9.323 4.500 1.00 0.00 C ATOM 1464 O GLN A 96 -7.218 -10.338 3.881 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.442 -8.000 3.521 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.704 -6.663 3.510 1.00 0.00 C ATOM 1467 CD GLN A 96 -8.187 -6.263 2.141 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -8.014 -7.095 1.260 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -7.936 -4.980 1.957 1.00 0.00 N ATOM 0 H GLN A 96 -9.277 -7.278 5.940 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.602 -9.849 4.623 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.276 -8.504 2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.513 -7.813 3.600 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.374 -5.885 3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.865 -6.715 4.204 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.093 -4.316 2.715 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.586 -4.653 1.057 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.638 -8.514 5.060 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.207 -8.795 4.961 1.00 0.00 C ATOM 1480 C GLY A 97 -4.353 -7.549 4.773 1.00 0.00 C ATOM 1481 O GLY A 97 -3.289 -7.612 4.157 1.00 0.00 O ATOM 0 H GLY A 97 -6.872 -7.669 5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.884 -9.314 5.863 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.035 -9.473 4.125 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.806 -6.418 5.312 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.067 -5.166 5.208 1.00 0.00 C ATOM 1487 C ALA A 98 -3.047 -5.052 6.342 1.00 0.00 C ATOM 1488 O ALA A 98 -3.323 -5.453 7.471 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.029 -3.986 5.215 1.00 0.00 C ATOM 0 H ALA A 98 -5.684 -6.346 5.826 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.522 -5.155 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.465 -3.056 5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.712 -4.068 4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.600 -3.987 6.144 1.00 0.00 H new ATOM 1495 N PHE A 99 -1.867 -4.525 6.029 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.804 -4.382 7.024 1.00 0.00 C ATOM 1497 C PHE A 99 -1.191 -3.412 8.148 1.00 0.00 C ATOM 1498 O PHE A 99 -1.563 -3.843 9.238 1.00 0.00 O ATOM 1499 CB PHE A 99 0.498 -3.936 6.348 1.00 0.00 C ATOM 1500 CG PHE A 99 1.704 -4.054 7.237 1.00 0.00 C ATOM 1501 CD1 PHE A 99 1.986 -5.247 7.879 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.549 -2.975 7.432 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.089 -5.363 8.702 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.654 -3.084 8.253 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.924 -4.280 8.890 1.00 0.00 C ATOM 0 H PHE A 99 -1.621 -4.190 5.097 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.651 -5.358 7.483 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.657 -4.535 5.452 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.394 -2.900 6.025 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.336 -6.097 7.735 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.342 -2.038 6.937 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.298 -6.300 9.198 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.306 -2.235 8.397 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.787 -4.367 9.534 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.094 -2.109 7.882 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.424 -1.100 8.886 1.00 0.00 C ATOM 1517 C ASP A 100 -1.673 0.278 8.257 1.00 0.00 C ATOM 1518 O ASP A 100 -1.579 0.450 7.036 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.287 -1.008 9.913 1.00 0.00 C ATOM 1520 CG ASP A 100 -0.785 -0.831 11.334 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.955 -0.422 11.514 1.00 0.00 O ATOM 1522 OD2 ASP A 100 0.003 -1.089 12.266 1.00 0.00 O ATOM 0 H ASP A 100 -0.791 -1.730 6.985 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.348 -1.407 9.377 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.320 -1.912 9.857 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.362 -0.171 9.654 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.981 1.255 9.109 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.236 2.626 8.669 1.00 0.00 C ATOM 1529 C TYR A 101 -1.155 3.578 9.203 1.00 0.00 C ATOM 1530 O TYR A 101 -1.117 3.888 10.395 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.627 3.074 9.136 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.700 2.940 8.076 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.235 1.699 7.755 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -5.177 4.054 7.399 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.217 1.573 6.788 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -6.158 3.936 6.433 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.674 2.693 6.132 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.650 2.566 5.168 1.00 0.00 O ATOM 0 H TYR A 101 -2.060 1.120 10.117 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.203 2.656 7.580 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.915 2.485 10.007 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.575 4.114 9.457 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.879 0.818 8.268 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.775 5.029 7.631 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.622 0.601 6.550 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.519 4.813 5.916 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.223 1.800 5.382 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.278 4.028 8.310 1.00 0.00 N ATOM 1549 CA LEU A 102 0.819 4.934 8.673 1.00 0.00 C ATOM 1550 C LEU A 102 0.460 6.398 8.364 1.00 0.00 C ATOM 1551 O LEU A 102 -0.343 6.663 7.473 1.00 0.00 O ATOM 1552 CB LEU A 102 2.081 4.513 7.898 1.00 0.00 C ATOM 1553 CG LEU A 102 3.217 5.541 7.842 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.372 5.115 8.729 1.00 0.00 C ATOM 1555 CD2 LEU A 102 3.695 5.733 6.417 1.00 0.00 C ATOM 0 H LEU A 102 -0.303 3.780 7.321 1.00 0.00 H new ATOM 0 HA LEU A 102 1.000 4.865 9.746 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.469 3.598 8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.790 4.269 6.876 1.00 0.00 H new ATOM 0 HG LEU A 102 2.830 6.491 8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.167 5.859 8.674 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.027 5.028 9.759 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.753 4.151 8.392 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.501 6.466 6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.059 4.784 6.024 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.869 6.087 5.801 1.00 0.00 H new ATOM 1567 N PRO A 103 1.053 7.376 9.096 1.00 0.00 N ATOM 1568 CA PRO A 103 0.789 8.809 8.858 1.00 0.00 C ATOM 1569 C PRO A 103 1.397 9.281 7.524 1.00 0.00 C ATOM 1570 O PRO A 103 2.211 8.572 6.937 1.00 0.00 O ATOM 1571 CB PRO A 103 1.467 9.488 10.056 1.00 0.00 C ATOM 1572 CG PRO A 103 2.564 8.555 10.435 1.00 0.00 C ATOM 1573 CD PRO A 103 2.025 7.172 10.194 1.00 0.00 C ATOM 0 HA PRO A 103 -0.273 9.041 8.779 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.855 10.471 9.789 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.767 9.634 10.879 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.457 8.737 9.836 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.848 8.688 11.479 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.814 6.476 9.909 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.547 6.765 11.085 1.00 0.00 H new ATOM 1581 N LYS A 104 0.982 10.465 7.037 1.00 0.00 N ATOM 1582 CA LYS A 104 1.476 10.997 5.748 1.00 0.00 C ATOM 1583 C LYS A 104 2.973 10.737 5.519 1.00 0.00 C ATOM 1584 O LYS A 104 3.356 10.353 4.410 1.00 0.00 O ATOM 1585 CB LYS A 104 1.159 12.490 5.590 1.00 0.00 C ATOM 1586 CG LYS A 104 1.103 12.950 4.131 1.00 0.00 C ATOM 1587 CD LYS A 104 0.143 12.104 3.296 1.00 0.00 C ATOM 1588 CE LYS A 104 0.874 11.098 2.422 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.059 10.709 1.240 1.00 0.00 N ATOM 0 H LYS A 104 0.311 11.070 7.511 1.00 0.00 H new ATOM 0 HA LYS A 104 0.937 10.445 4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.202 12.703 6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.915 13.072 6.118 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.792 13.994 4.093 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.102 12.899 3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.543 11.576 3.958 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.461 12.758 2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.820 11.524 2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.113 10.211 3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.558 9.972 0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.861 10.343 1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.090 11.540 0.633 1.00 0.00 H new ATOM 1603 N PRO A 105 3.852 10.928 6.545 1.00 0.00 N ATOM 1604 CA PRO A 105 5.288 10.668 6.391 1.00 0.00 C ATOM 1605 C PRO A 105 5.521 9.395 5.579 1.00 0.00 C ATOM 1606 O PRO A 105 5.013 8.331 5.927 1.00 0.00 O ATOM 1607 CB PRO A 105 5.760 10.477 7.830 1.00 0.00 C ATOM 1608 CG PRO A 105 4.834 11.305 8.657 1.00 0.00 C ATOM 1609 CD PRO A 105 3.523 11.383 7.910 1.00 0.00 C ATOM 0 HA PRO A 105 5.815 11.464 5.865 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.718 9.428 8.122 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.794 10.801 7.952 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.691 10.858 9.641 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.246 12.301 8.817 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.765 10.748 8.369 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.127 12.399 7.906 1.00 0.00 H new ATOM 1617 N PHE A 106 6.247 9.504 4.476 1.00 0.00 N ATOM 1618 CA PHE A 106 6.471 8.342 3.627 1.00 0.00 C ATOM 1619 C PHE A 106 7.870 8.317 3.023 1.00 0.00 C ATOM 1620 O PHE A 106 8.678 7.460 3.380 1.00 0.00 O ATOM 1621 CB PHE A 106 5.414 8.318 2.519 1.00 0.00 C ATOM 1622 CG PHE A 106 5.019 6.941 2.087 1.00 0.00 C ATOM 1623 CD1 PHE A 106 4.142 6.190 2.847 1.00 0.00 C ATOM 1624 CD2 PHE A 106 5.519 6.403 0.917 1.00 0.00 C ATOM 1625 CE1 PHE A 106 3.765 4.923 2.444 1.00 0.00 C ATOM 1626 CE2 PHE A 106 5.152 5.138 0.506 1.00 0.00 C ATOM 1627 CZ PHE A 106 4.273 4.395 1.271 1.00 0.00 C ATOM 0 H PHE A 106 6.684 10.367 4.152 1.00 0.00 H new ATOM 0 HA PHE A 106 6.385 7.452 4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.527 8.848 2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.794 8.864 1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.747 6.598 3.766 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.206 6.980 0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 106 3.076 4.347 3.043 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.551 4.730 -0.411 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.983 3.404 0.954 1.00 0.00 H new ATOM 1637 N ASP A 107 8.128 9.248 2.095 1.00 0.00 N ATOM 1638 CA ASP A 107 9.416 9.348 1.399 1.00 0.00 C ATOM 1639 C ASP A 107 10.118 7.980 1.302 1.00 0.00 C ATOM 1640 O ASP A 107 9.795 7.186 0.414 1.00 0.00 O ATOM 1641 CB ASP A 107 10.308 10.408 2.066 1.00 0.00 C ATOM 1642 CG ASP A 107 10.193 10.420 3.572 1.00 0.00 C ATOM 1643 OD1 ASP A 107 9.284 11.100 4.092 1.00 0.00 O ATOM 1644 OD2 ASP A 107 11.014 9.750 4.226 1.00 0.00 O ATOM 0 H ASP A 107 7.449 9.953 1.806 1.00 0.00 H new ATOM 0 HA ASP A 107 9.225 9.671 0.376 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.346 10.226 1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 107 10.042 11.392 1.680 1.00 0.00 H new ATOM 1649 N ILE A 108 11.051 7.692 2.218 1.00 0.00 N ATOM 1650 CA ILE A 108 11.750 6.404 2.212 1.00 0.00 C ATOM 1651 C ILE A 108 11.922 5.840 3.625 1.00 0.00 C ATOM 1652 O ILE A 108 11.500 4.715 3.890 1.00 0.00 O ATOM 1653 CB ILE A 108 13.128 6.493 1.501 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.051 5.826 0.131 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.233 5.836 2.325 1.00 0.00 C ATOM 1656 CD1 ILE A 108 12.169 6.556 -0.853 1.00 0.00 C ATOM 0 H ILE A 108 11.336 8.326 2.964 1.00 0.00 H new ATOM 0 HA ILE A 108 11.119 5.719 1.646 1.00 0.00 H new ATOM 0 HB ILE A 108 13.372 7.549 1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 108 14.056 5.750 -0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.679 4.809 0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.181 5.919 1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.313 6.336 3.290 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.995 4.784 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.164 6.022 -1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.153 6.609 -0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.552 7.565 -1.006 1.00 0.00 H new ATOM 1668 N ASP A 109 12.552 6.607 4.516 1.00 0.00 N ATOM 1669 CA ASP A 109 12.785 6.158 5.888 1.00 0.00 C ATOM 1670 C ASP A 109 11.518 5.548 6.496 1.00 0.00 C ATOM 1671 O ASP A 109 11.524 4.392 6.918 1.00 0.00 O ATOM 1672 CB ASP A 109 13.300 7.321 6.742 1.00 0.00 C ATOM 1673 CG ASP A 109 14.812 7.343 6.826 1.00 0.00 C ATOM 1674 OD1 ASP A 109 15.460 7.639 5.799 1.00 0.00 O ATOM 1675 OD2 ASP A 109 15.349 7.057 7.915 1.00 0.00 O ATOM 0 H ASP A 109 12.909 7.540 4.312 1.00 0.00 H new ATOM 0 HA ASP A 109 13.545 5.377 5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.947 8.263 6.321 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.883 7.245 7.746 1.00 0.00 H new ATOM 1680 N GLU A 110 10.435 6.320 6.517 1.00 0.00 N ATOM 1681 CA GLU A 110 9.160 5.840 7.056 1.00 0.00 C ATOM 1682 C GLU A 110 8.575 4.724 6.178 1.00 0.00 C ATOM 1683 O GLU A 110 8.263 3.631 6.663 1.00 0.00 O ATOM 1684 CB GLU A 110 8.164 7.002 7.173 1.00 0.00 C ATOM 1685 CG GLU A 110 8.445 7.935 8.350 1.00 0.00 C ATOM 1686 CD GLU A 110 7.448 7.796 9.491 1.00 0.00 C ATOM 1687 OE1 GLU A 110 6.865 6.703 9.652 1.00 0.00 O ATOM 1688 OE2 GLU A 110 7.256 8.784 10.231 1.00 0.00 O ATOM 0 H GLU A 110 10.412 7.278 6.169 1.00 0.00 H new ATOM 0 HA GLU A 110 9.343 5.428 8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.184 7.580 6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.157 6.597 7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.448 7.736 8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.437 8.966 7.995 1.00 0.00 H new ATOM 1695 N ALA A 111 8.430 5.012 4.883 1.00 0.00 N ATOM 1696 CA ALA A 111 7.881 4.052 3.918 1.00 0.00 C ATOM 1697 C ALA A 111 8.621 2.705 3.929 1.00 0.00 C ATOM 1698 O ALA A 111 7.999 1.643 4.044 1.00 0.00 O ATOM 1699 CB ALA A 111 7.918 4.661 2.521 1.00 0.00 C ATOM 0 H ALA A 111 8.687 5.910 4.474 1.00 0.00 H new ATOM 0 HA ALA A 111 6.852 3.845 4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.511 3.949 1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.322 5.573 2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.948 4.896 2.254 1.00 0.00 H new ATOM 1705 N VAL A 112 9.945 2.754 3.792 1.00 0.00 N ATOM 1706 CA VAL A 112 10.770 1.542 3.767 1.00 0.00 C ATOM 1707 C VAL A 112 10.843 0.874 5.139 1.00 0.00 C ATOM 1708 O VAL A 112 10.614 -0.335 5.254 1.00 0.00 O ATOM 1709 CB VAL A 112 12.198 1.844 3.260 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.070 0.597 3.316 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.153 2.393 1.843 1.00 0.00 C ATOM 0 H VAL A 112 10.473 3.621 3.696 1.00 0.00 H new ATOM 0 HA VAL A 112 10.287 0.852 3.075 1.00 0.00 H new ATOM 0 HB VAL A 112 12.637 2.597 3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.070 0.836 2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.132 0.242 4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.633 -0.181 2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.167 2.601 1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.690 1.659 1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.569 3.314 1.828 1.00 0.00 H new ATOM 1721 N ALA A 113 11.139 1.656 6.183 1.00 0.00 N ATOM 1722 CA ALA A 113 11.217 1.118 7.546 1.00 0.00 C ATOM 1723 C ALA A 113 9.963 0.309 7.903 1.00 0.00 C ATOM 1724 O ALA A 113 9.996 -0.533 8.802 1.00 0.00 O ATOM 1725 CB ALA A 113 11.429 2.243 8.551 1.00 0.00 C ATOM 0 H ALA A 113 11.327 2.656 6.112 1.00 0.00 H new ATOM 0 HA ALA A 113 12.072 0.443 7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.485 1.827 9.557 1.00 0.00 H new ATOM 0 HB2 ALA A 113 12.358 2.765 8.322 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.596 2.944 8.494 1.00 0.00 H new ATOM 1731 N LEU A 114 8.863 0.570 7.193 1.00 0.00 N ATOM 1732 CA LEU A 114 7.605 -0.132 7.421 1.00 0.00 C ATOM 1733 C LEU A 114 7.440 -1.313 6.455 1.00 0.00 C ATOM 1734 O LEU A 114 7.122 -2.427 6.879 1.00 0.00 O ATOM 1735 CB LEU A 114 6.436 0.843 7.271 1.00 0.00 C ATOM 1736 CG LEU A 114 5.089 0.327 7.773 1.00 0.00 C ATOM 1737 CD1 LEU A 114 5.103 0.178 9.285 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.979 1.267 7.344 1.00 0.00 C ATOM 0 H LEU A 114 8.822 1.268 6.451 1.00 0.00 H new ATOM 0 HA LEU A 114 7.616 -0.532 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.678 1.760 7.807 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.336 1.106 6.218 1.00 0.00 H new ATOM 0 HG LEU A 114 4.907 -0.654 7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.135 -0.191 9.623 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.881 -0.528 9.574 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.303 1.146 9.744 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.023 0.890 7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 114 4.160 2.258 7.760 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.955 1.329 6.256 1.00 0.00 H new ATOM 1750 N VAL A 115 7.656 -1.068 5.158 1.00 0.00 N ATOM 1751 CA VAL A 115 7.527 -2.120 4.142 1.00 0.00 C ATOM 1752 C VAL A 115 8.401 -3.341 4.479 1.00 0.00 C ATOM 1753 O VAL A 115 7.962 -4.483 4.329 1.00 0.00 O ATOM 1754 CB VAL A 115 7.869 -1.592 2.725 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.369 -1.572 2.481 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.175 -2.427 1.660 1.00 0.00 C ATOM 0 H VAL A 115 7.920 -0.155 4.788 1.00 0.00 H new ATOM 0 HA VAL A 115 6.483 -2.434 4.146 1.00 0.00 H new ATOM 0 HB VAL A 115 7.506 -0.566 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.569 -1.196 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.848 -0.923 3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.767 -2.582 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.428 -2.040 0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.503 -3.463 1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.096 -2.376 1.804 1.00 0.00 H new ATOM 1766 N GLU A 116 9.628 -3.091 4.946 1.00 0.00 N ATOM 1767 CA GLU A 116 10.554 -4.169 5.315 1.00 0.00 C ATOM 1768 C GLU A 116 9.951 -5.071 6.393 1.00 0.00 C ATOM 1769 O GLU A 116 9.715 -6.261 6.165 1.00 0.00 O ATOM 1770 CB GLU A 116 11.876 -3.580 5.809 1.00 0.00 C ATOM 1771 CG GLU A 116 12.785 -3.096 4.691 1.00 0.00 C ATOM 1772 CD GLU A 116 14.241 -3.060 5.099 1.00 0.00 C ATOM 1773 OE1 GLU A 116 14.582 -2.278 6.008 1.00 0.00 O ATOM 1774 OE2 GLU A 116 15.036 -3.819 4.513 1.00 0.00 O ATOM 0 H GLU A 116 10.004 -2.152 5.078 1.00 0.00 H new ATOM 0 HA GLU A 116 10.737 -4.774 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.664 -2.747 6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.403 -4.334 6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.670 -3.749 3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.474 -2.098 4.381 1.00 0.00 H new ATOM 1781 N ARG A 117 9.695 -4.498 7.571 1.00 0.00 N ATOM 1782 CA ARG A 117 9.105 -5.260 8.677 1.00 0.00 C ATOM 1783 C ARG A 117 7.817 -5.954 8.229 1.00 0.00 C ATOM 1784 O ARG A 117 7.512 -7.051 8.697 1.00 0.00 O ATOM 1785 CB ARG A 117 8.832 -4.376 9.902 1.00 0.00 C ATOM 1786 CG ARG A 117 8.603 -2.909 9.580 1.00 0.00 C ATOM 1787 CD ARG A 117 8.221 -2.121 10.820 1.00 0.00 C ATOM 1788 NE ARG A 117 9.382 -1.871 11.681 1.00 0.00 N ATOM 1789 CZ ARG A 117 9.310 -1.375 12.901 1.00 0.00 C ATOM 1790 NH1 ARG A 117 8.149 -1.046 13.421 1.00 0.00 N ATOM 1791 NH2 ARG A 117 10.410 -1.189 13.595 1.00 0.00 N ATOM 0 H ARG A 117 9.884 -3.519 7.784 1.00 0.00 H new ATOM 0 HA ARG A 117 9.833 -6.017 8.970 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.957 -4.761 10.425 1.00 0.00 H new ATOM 0 HB3 ARG A 117 9.675 -4.457 10.588 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.507 -2.486 9.143 1.00 0.00 H new ATOM 0 HG3 ARG A 117 7.815 -2.818 8.833 1.00 0.00 H new ATOM 0 HD2 ARG A 117 7.775 -1.171 10.525 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.463 -2.668 11.380 1.00 0.00 H new ATOM 0 HE ARG A 117 10.306 -2.096 11.312 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.294 -1.174 12.880 1.00 0.00 H new ATOM 0 HH12 ARG A 117 8.103 -0.663 14.365 1.00 0.00 H new ATOM 0 HH21 ARG A 117 11.315 -1.428 13.190 1.00 0.00 H new ATOM 0 HH22 ARG A 117 10.359 -0.806 14.539 1.00 0.00 H new ATOM 1805 N ALA A 118 7.081 -5.323 7.305 1.00 0.00 N ATOM 1806 CA ALA A 118 5.844 -5.900 6.778 1.00 0.00 C ATOM 1807 C ALA A 118 6.120 -7.282 6.178 1.00 0.00 C ATOM 1808 O ALA A 118 5.491 -8.271 6.558 1.00 0.00 O ATOM 1809 CB ALA A 118 5.222 -4.973 5.740 1.00 0.00 C ATOM 0 H ALA A 118 7.323 -4.414 6.909 1.00 0.00 H new ATOM 0 HA ALA A 118 5.134 -6.015 7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.303 -5.418 5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.996 -4.011 6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.922 -4.826 4.918 1.00 0.00 H new ATOM 1815 N ILE A 119 7.093 -7.344 5.263 1.00 0.00 N ATOM 1816 CA ILE A 119 7.481 -8.612 4.635 1.00 0.00 C ATOM 1817 C ILE A 119 8.199 -9.501 5.648 1.00 0.00 C ATOM 1818 O ILE A 119 7.994 -10.711 5.678 1.00 0.00 O ATOM 1819 CB ILE A 119 8.398 -8.409 3.405 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.782 -7.419 2.414 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.659 -9.739 2.709 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.795 -6.480 1.796 1.00 0.00 C ATOM 0 H ILE A 119 7.624 -6.535 4.942 1.00 0.00 H new ATOM 0 HA ILE A 119 6.562 -9.088 4.293 1.00 0.00 H new ATOM 0 HB ILE A 119 9.343 -7.999 3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.281 -7.974 1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.018 -6.833 2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.305 -9.578 1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.145 -10.424 3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.713 -10.168 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.291 -5.806 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.279 -5.899 2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.546 -7.058 1.257 1.00 0.00 H new ATOM 1834 N SER A 120 9.029 -8.885 6.493 1.00 0.00 N ATOM 1835 CA SER A 120 9.761 -9.620 7.529 1.00 0.00 C ATOM 1836 C SER A 120 8.790 -10.355 8.463 1.00 0.00 C ATOM 1837 O SER A 120 9.020 -11.502 8.831 1.00 0.00 O ATOM 1838 CB SER A 120 10.632 -8.659 8.346 1.00 0.00 C ATOM 1839 OG SER A 120 11.581 -9.364 9.134 1.00 0.00 O ATOM 0 H SER A 120 9.211 -7.881 6.481 1.00 0.00 H new ATOM 0 HA SER A 120 10.399 -10.354 7.037 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.151 -7.975 7.674 1.00 0.00 H new ATOM 0 HB3 SER A 120 9.999 -8.052 8.993 1.00 0.00 H new ATOM 0 HG SER A 120 12.123 -8.725 9.643 1.00 0.00 H new ATOM 1845 N HIS A 121 7.698 -9.670 8.832 1.00 0.00 N ATOM 1846 CA HIS A 121 6.665 -10.233 9.716 1.00 0.00 C ATOM 1847 C HIS A 121 5.782 -11.259 8.986 1.00 0.00 C ATOM 1848 O HIS A 121 4.981 -11.956 9.615 1.00 0.00 O ATOM 1849 CB HIS A 121 5.789 -9.106 10.280 1.00 0.00 C ATOM 1850 CG HIS A 121 6.362 -8.417 11.483 1.00 0.00 C ATOM 1851 ND1 HIS A 121 7.561 -7.743 11.477 1.00 0.00 N ATOM 1852 CD2 HIS A 121 5.875 -8.299 12.738 1.00 0.00 C ATOM 1853 CE1 HIS A 121 7.787 -7.238 12.679 1.00 0.00 C ATOM 1854 NE2 HIS A 121 6.779 -7.566 13.470 1.00 0.00 N ATOM 0 H HIS A 121 7.506 -8.715 8.529 1.00 0.00 H new ATOM 0 HA HIS A 121 7.174 -10.750 10.530 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.623 -8.366 9.497 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.814 -9.517 10.542 1.00 0.00 H new ATOM 0 HD1 HIS A 121 8.179 -7.647 10.672 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.943 -8.707 13.101 1.00 0.00 H new ATOM 0 HE1 HIS A 121 8.650 -6.656 12.966 1.00 0.00 H new ATOM 1863 N TYR A 122 5.935 -11.350 7.660 1.00 0.00 N ATOM 1864 CA TYR A 122 5.166 -12.296 6.855 1.00 0.00 C ATOM 1865 C TYR A 122 6.064 -13.453 6.366 1.00 0.00 C ATOM 1866 O TYR A 122 5.608 -14.597 6.277 1.00 0.00 O ATOM 1867 CB TYR A 122 4.497 -11.572 5.676 1.00 0.00 C ATOM 1868 CG TYR A 122 2.974 -11.606 5.670 1.00 0.00 C ATOM 1869 CD1 TYR A 122 2.256 -12.462 6.493 1.00 0.00 C ATOM 1870 CD2 TYR A 122 2.254 -10.780 4.819 1.00 0.00 C ATOM 1871 CE1 TYR A 122 0.872 -12.490 6.468 1.00 0.00 C ATOM 1872 CE2 TYR A 122 0.872 -10.806 4.785 1.00 0.00 C ATOM 1873 CZ TYR A 122 0.188 -11.660 5.612 1.00 0.00 C ATOM 1874 OH TYR A 122 -1.190 -11.704 5.574 1.00 0.00 O ATOM 0 H TYR A 122 6.587 -10.777 7.124 1.00 0.00 H new ATOM 0 HA TYR A 122 4.381 -12.727 7.477 1.00 0.00 H new ATOM 0 HB2 TYR A 122 4.821 -10.531 5.679 1.00 0.00 H new ATOM 0 HB3 TYR A 122 4.857 -12.015 4.747 1.00 0.00 H new ATOM 0 HD1 TYR A 122 2.787 -13.119 7.166 1.00 0.00 H new ATOM 0 HD2 TYR A 122 2.785 -10.101 4.168 1.00 0.00 H new ATOM 0 HE1 TYR A 122 0.332 -13.162 7.119 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.334 -10.157 4.110 1.00 0.00 H new ATOM 0 HH TYR A 122 -1.520 -11.055 4.918 1.00 0.00 H new ATOM 1884 N GLN A 123 7.341 -13.175 6.070 1.00 0.00 N ATOM 1885 CA GLN A 123 8.261 -14.233 5.624 1.00 0.00 C ATOM 1886 C GLN A 123 8.890 -14.965 6.818 1.00 0.00 C ATOM 1887 O GLN A 123 9.654 -14.379 7.580 1.00 0.00 O ATOM 1888 CB GLN A 123 9.364 -13.680 4.712 1.00 0.00 C ATOM 1889 CG GLN A 123 10.132 -14.773 3.979 1.00 0.00 C ATOM 1890 CD GLN A 123 11.575 -14.401 3.705 1.00 0.00 C ATOM 1891 OE1 GLN A 123 11.864 -13.318 3.205 1.00 0.00 O ATOM 1892 NE2 GLN A 123 12.487 -15.303 4.024 1.00 0.00 N ATOM 0 H GLN A 123 7.756 -12.245 6.129 1.00 0.00 H new ATOM 0 HA GLN A 123 7.667 -14.944 5.050 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.919 -13.004 3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 123 10.061 -13.092 5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 123 10.105 -15.688 4.571 1.00 0.00 H new ATOM 0 HG3 GLN A 123 9.633 -14.989 3.035 1.00 0.00 H new ATOM 0 HE21 GLN A 123 12.203 -16.191 4.438 1.00 0.00 H new ATOM 0 HE22 GLN A 123 13.475 -15.111 3.856 1.00 0.00 H new ATOM 1901 N GLU A 124 8.559 -16.245 6.949 1.00 0.00 N ATOM 1902 CA GLU A 124 9.074 -17.088 8.026 1.00 0.00 C ATOM 1903 C GLU A 124 9.833 -18.290 7.456 1.00 0.00 C ATOM 1904 O GLU A 124 10.339 -18.266 6.315 1.00 0.00 O ATOM 1905 CB GLU A 124 7.905 -17.558 8.905 1.00 0.00 C ATOM 1906 CG GLU A 124 8.262 -17.857 10.358 1.00 0.00 C ATOM 1907 CD GLU A 124 9.141 -19.083 10.540 1.00 0.00 C ATOM 1908 OE1 GLU A 124 10.312 -19.055 10.109 1.00 0.00 O ATOM 1909 OE2 GLU A 124 8.655 -20.074 11.123 1.00 0.00 O ATOM 0 H GLU A 124 7.926 -16.729 6.312 1.00 0.00 H new ATOM 0 HA GLU A 124 9.771 -16.508 8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 124 7.129 -16.793 8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.476 -18.456 8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 124 8.772 -16.991 10.781 1.00 0.00 H new ATOM 0 HG3 GLU A 124 7.342 -17.995 10.926 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -3.019 10.866 1.585 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -4.497 10.939 1.500 1.00 0.00 F HETATM 1919 F2 BEF A 125 -2.444 12.222 1.414 1.00 0.00 F HETATM 1920 F3 BEF A 125 -2.620 10.346 2.913 1.00 0.00 F CONECT 806 1917 CONECT 1917 806 1918 1919 1920 CONECT 1918 1917 CONECT 1919 1917 CONECT 1920 1917 END