USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 915 hydrogens (14 hets) HEADER TRANSFERASE 27-OCT-05 2ETZ TITLE THE NMR MINIMIZED AVERAGE STRUCTURE OF THE ITK SH2 DOMAIN TITLE 2 BOUND TO A PHOSPHOPEPTIDE COMPND MOL_ID: 1; COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ITK/TSK; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SH2 DOMAIN; COMPND 5 SYNONYM: T-CELL-SPECIFIC KINASE, IL-2-INDUCIBLE T-CELL COMPND 6 KINASE, KINASE EMT, KINASE TLK, ITK; COMPND 7 EC: 2.7.1.112; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 2; COMPND 0 MOLECULE: LYMPHOCYTE CYTOSOLIC PROTEIN 2 PHOSPHOPEPTIDE COMPND 1 FRAGMENT; COMPND 2 CHAIN: B; COMPND 3 FRAGMENT: PHOSPHOPEPTIDE FRAGMENT SEQUENCE DATABASE COMPND 4 RESIDUES 143-148; COMPND 5 SYNONYM: SH2 DOMAIN-CONTAINING LEUCOCYTE PROTEIN OF 76 KDA, COMPND 6 SLP-76 TYROSINE PHOSPHOPROTEIN, SLP76; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 GENE: ITK, EMT, TLK, TSK; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PGEX(2T); SOURCE 1 MOL_ID: 2; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THE SEQUENCE OF THE PEPTIDE IS NATURALLY SOURCE 4 FOUND IN MUS MUSCULUS (MOUSE). KEYWDS CIS/TRANS ISOMERIZATION, INTERLEUKIN-2 TYROSINE KINASE, ITK, KEYWDS 2 T-CELL SPECIFIC KINASE, TSK, SRC HOMOLOGY 2, SH2, PROLINE, KEYWDS 3 PHOSPHOTYROSINE BINDING, TRANSFERASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR M.SUNDD,E.V.PLETNEVA,D.B.FULTON,A.H.ANDREOTTI REVDAT 4 24-FEB-09 2ETZ 1 VERSN REVDAT 3 21-MAR-06 2ETZ 1 JRNL REVDAT 2 14-FEB-06 2ETZ 1 AUTHOR REVDAT 1 07-FEB-06 2ETZ 0 JRNL AUTH E.V.PLETNEVA,M.SUNDD,D.B.FULTON,A.H.ANDREOTTI JRNL TITL MOLECULAR DETAILS OF ITK ACTIVATION BY PROLYL JRNL TITL 2 ISOMERIZATION AND PHOSPHOLIGAND BINDING: THE NMR JRNL TITL 3 STRUCTURE OF THE ITK SH2 DOMAIN BOUND TO A JRNL TITL 4 PHOSPHOPEPTIDE. JRNL REF J.MOL.BIOL. V. 357 550 2006 JRNL REFN ISSN 0022-2836 JRNL PMID 16436281 JRNL DOI 10.1016/J.JMB.2005.12.073 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH R.J.MALLIS,K.N.BRAZIN,D.B.FULTON,A.H.ANDREOTTI REMARK 1 TITL STRUCTURAL CHARACTERIZATION OF A PROLINE-DRIVEN REMARK 1 TITL 2 CONFORMATIONAL SWITCH WITHIN THE ITK SH2 DOMAIN. REMARK 1 REF NAT.STRUCT.BIOL. V. 9 900 2002 REMARK 1 REFN ISSN 1072-8368 REMARK 1 PMID 12402030 REMARK 1 DOI 10.1038/NSB864 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 REMARK 3 AUTHORS : BRUNGER ET AL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 2486 INTRAMOLECULAR NOE RESTRAINTS, REMARK 3 31 INTERMOLECULAR NOE RESTRAINTS, 63 DIHEDRAL ANGLES REMARK 3 CALCULATED USING HNHA EXPERIMENT AND TALOS AND 27 HYDROGEN REMARK 3 BONDS (D20 EXCHANGE BASED RESTRAINTS) REMARK 4 REMARK 4 2ETZ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-NOV-05. REMARK 100 THE RCSB ID CODE IS RCSB035089. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.4 REMARK 210 IONIC STRENGTH : 125MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM ITK SH2 DOMAIN, 20MM REMARK 210 PHOSPHOPEPTIDE, 50MM KH2PO4, REMARK 210 75MM NACL, 2MM DTT, 0.02% REMARK 210 NAN3, PH 7.4; U-15N LABELED, REMARK 210 1MM ITK SH2 DOMAIN, 20MM REMARK 210 PHOSPHOPEPTIDE, 50MM KH2PO4, REMARK 210 75MM NACL, 2MM DTT, 0.02% REMARK 210 NAN3, PH 7.4; U-15N, 13-C REMARK 210 LABELED, 1MM ITK SH2 DOMAIN, REMARK 210 20MM PHOSPHOPEPTIDE, 50MM REMARK 210 KH2PO4, 75MM NACL, 2MM DTT, REMARK 210 0.02% NAN3, PH 7.4; 5MM REMARK 210 PHOSPHOPEPTIDE, 50MM KH2PO4, REMARK 210 75MM NACL, 2MM DTT, 0.02% REMARK 210 NAN3, PH 7.4; 1MM ITK SH2 REMARK 210 DOMAIN, 20MM PHOSPHOPEPTIDE, REMARK 210 50MM KH2PO4, 75MM NACL, 2MM REMARK 210 DTT, 0.02% NAN3, PH 7.4 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D_15N-SEPARATED_ REMARK 210 NOESY, HNHA, 3D_13C-SEPARATED_NOESY, 3D_13C_SEPARATED_ REMARK 210 AROMATIC_NOESY, HNCACB, CBCA(CO)NH, HCCH_TOCSY, CCONH, 13C REMARK 210 EDITED_13C/15_N FILTERED NOESY, 15N_EDITED_13C/15N_FILTERED REMARK 210 NOESY, 2D TOCSY, D2O EXCHANGE EXPERIMENT REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR, NMRPIPE, NMRVIEW REMARK 210 4.1.3 REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING WAS USED FOR REMARK 210 REFINEMENT REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 200 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : AVERAGE STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OG SER A 39 O1P PTR B 121 2.10 REMARK 500 O GLY A 32 O TYR A 107 2.11 REMARK 500 O ALA A 33 N PHE A 50 2.13 REMARK 500 O LYS A 30 O PHE A 50 2.16 REMARK 500 O LEU A 24 OG1 THR A 28 2.16 REMARK 500 O GLY A 32 N TYR A 107 2.19 REMARK 500 N TYR A 76 O PHE A 84 2.19 REMARK 500 NE ARG A 18 O2P PTR B 121 2.19 REMARK 500 O TRP A 11 N VAL A 36 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 5 30.66 32.05 REMARK 500 TYR A 9 -162.88 -54.15 REMARK 500 TRP A 11 -8.42 -157.55 REMARK 500 SER A 15 10.02 53.86 REMARK 500 SER A 17 142.08 92.89 REMARK 500 ARG A 18 -24.13 -38.31 REMARK 500 GLU A 31 70.94 -56.97 REMARK 500 SER A 39 -162.34 -45.65 REMARK 500 THR A 44 -126.20 -165.27 REMARK 500 THR A 51 -150.62 -89.16 REMARK 500 ILE A 54 -88.23 -47.92 REMARK 500 SER A 56 -76.29 50.63 REMARK 500 GLU A 57 -38.37 -35.27 REMARK 500 ASN A 58 154.22 80.90 REMARK 500 CYS A 60 51.15 -118.42 REMARK 500 ILE A 66 87.93 -62.85 REMARK 500 THR A 69 -144.63 -124.90 REMARK 500 ASN A 70 57.99 -146.29 REMARK 500 ASP A 71 -141.51 -124.00 REMARK 500 SER A 72 109.48 -176.37 REMARK 500 LYS A 74 88.69 1.95 REMARK 500 ALA A 79 -143.32 -144.38 REMARK 500 LYS A 81 -22.37 157.67 REMARK 500 ASP A 85 34.87 -96.15 REMARK 500 SER A 86 77.45 -159.52 REMARK 500 HIS A 94 25.14 -78.24 REMARK 500 GLN A 95 -36.84 -146.02 REMARK 500 VAL A 102 104.60 -24.35 REMARK 500 THR A 103 36.08 26.89 REMARK 500 ARG A 104 168.03 44.68 REMARK 500 ARG A 106 -68.66 -154.27 REMARK 500 VAL A 109 24.80 -79.32 REMARK 500 CYS A 110 104.50 -32.54 REMARK 500 PRO B 123 101.53 -57.49 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 ACE A 3 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ACE B 118 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 B 125 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1LUI RELATED DB: PDB REMARK 900 NMR STRUCTURE OF THE ITK SH2 DOMAIN, PRO287CIS, 20 LOW REMARK 900 ENERGY STRUCTURES REMARK 900 RELATED ID: 1LUK RELATED DB: PDB REMARK 900 NMR STRUCTURE OF THE ITK SH2 DOMAIN, PRO287CIS, ENERGY REMARK 900 MINIMIZED AVERAGE STRUCTURE REMARK 900 RELATED ID: 1LUM RELATED DB: PDB REMARK 900 NMR STRUCTURE OF THE ITK SH2 DOMAIN, PRO287TRANS, 20 LOW REMARK 900 ENERGY STRUCTURES REMARK 900 RELATED ID: 1LUN RELATED DB: PDB REMARK 900 NMR STRUCTURE OF THE ITK SH2 DOMAIN, PRO287TRANS, ENERGY REMARK 900 MINIMIZED AVERAGE STRUCTURE REMARK 900 RELATED ID: 2EU0 RELATED DB: PDB REMARK 900 THE NMR ENSEMBLE STRUCTURE OF THE ITK SH2 DOMAIN BOUND TO A REMARK 900 PHOSPHOPEPTIDE DBREF 2ETZ A 4 110 UNP Q03526 ITK_MOUSE 238 344 DBREF 2ETZ B 119 124 UNP Q60787 LCP2_MOUSE 143 148 SEQADV 2ETZ GLY A 111 UNP Q03526 CLONING ARTIFACT SEQADV 2ETZ PTR B 121 UNP Q60787 TYR 145 MODIFIED RESIDUE SEQRES 1 A 109 ACE ASN ASN LEU GLU THR TYR GLU TRP TYR ASN LYS SER SEQRES 2 A 109 ILE SER ARG ASP LYS ALA GLU LYS LEU LEU LEU ASP THR SEQRES 3 A 109 GLY LYS GLU GLY ALA PHE MET VAL ARG ASP SER ARG THR SEQRES 4 A 109 PRO GLY THR TYR THR VAL SER VAL PHE THR LYS ALA ILE SEQRES 5 A 109 ILE SER GLU ASN PRO CYS ILE LYS HIS TYR HIS ILE LYS SEQRES 6 A 109 GLU THR ASN ASP SER PRO LYS ARG TYR TYR VAL ALA GLU SEQRES 7 A 109 LYS TYR VAL PHE ASP SER ILE PRO LEU LEU ILE GLN TYR SEQRES 8 A 109 HIS GLN TYR ASN GLY GLY GLY LEU VAL THR ARG LEU ARG SEQRES 9 A 109 TYR PRO VAL CYS GLY SEQRES 1 B 8 ACE ALA ASP PTR GLU PRO PRO NH2 MODRES 2ETZ PTR B 121 TYR O-PHOSPHOTYROSINE HET ACE A 3 6 HET ACE B 118 6 HET PTR B 121 24 HET NH2 B 125 1 HETNAM ACE ACETYL GROUP HETNAM PTR O-PHOSPHOTYROSINE HETNAM NH2 AMINO GROUP HETSYN PTR PHOSPHONOTYROSINE FORMUL 1 ACE 2(C2 H4 O) FORMUL 2 PTR C9 H12 N O6 P FORMUL 2 NH2 H2 N HELIX 1 1 SER A 17 GLY A 29 1 13 HELIX 2 2 SER A 86 ASN A 97 1 12 SHEET 1 A 5 ALA A 33 ARG A 37 0 SHEET 2 A 5 TYR A 45 PHE A 50 -1 O THR A 46 N ARG A 37 SHEET 3 A 5 LYS A 62 GLU A 68 -1 O LYS A 62 N VAL A 49 SHEET 4 A 5 TYR A 76 TYR A 77 -1 O TYR A 77 N LYS A 67 SHEET 5 A 5 VAL A 83 PHE A 84 -1 O PHE A 84 N TYR A 76 LINK C ACE A 3 N ASN A 4 1555 1555 1.33 LINK C ACE B 118 N ALA B 119 1555 1555 1.33 LINK C PRO B 124 N NH2 B 125 1555 1555 1.33 LINK C ASP B 120 N PTR B 121 1555 1555 1.33 LINK C PTR B 121 N GLU B 122 1555 1555 1.33 CISPEP 1 SER A 72 PRO A 73 0 0.30 SITE *** AC1 1 ASN A 5 SITE *** AC2 3 ASP B 120 PTR B 121 PRO B 123 SITE *** AC3 1 PRO B 124 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 121 PTR HN2 : B 121 PTR N : B 120 ASP C :(H bumps) USER MOD Set 1.1: A 81 LYS NZ :NH3+ -122:sc= -1.85! (180deg=-3.17!) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 69 THR OG1 : rot 130:sc= -5.23! USER MOD Set 2.2: A 70 ASN : amide:sc= -5.34! C(o=-11!,f=-8.1!) USER MOD Set 3.1: A 48 SER OG : rot 110:sc= -5.85! USER MOD Set 3.2: A 63 HIS : no HE2:sc= -9.33! C(o=-15!,f=-5.4!) USER MOD Set 4.1: A 46 THR OG1 : rot 100:sc= -5.74! USER MOD Set 4.2: A 65 HIS : no HE2:sc= -9.27! C(o=-15!,f=-17!) USER MOD Set 5.1: A 4 ASN : amide:sc= -4.84! C(o=-5.2!,f=-7.4!) USER MOD Set 5.2: A 45 TYR OH : rot 150:sc= -0.409 USER MOD Single : A 5 ASN : amide:sc= -6.49! C(o=-6.5!,f=-2.7!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 165:sc= -0.626 USER MOD Single : A 12 TYR OH : rot -30:sc= -3.08! USER MOD Single : A 13 ASN : amide:sc= -4.96! C(o=-5!,f=-5.9!) USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= -0.126 (180deg=-0.733) USER MOD Single : A 15 SER OG : rot -5:sc= 1.09 USER MOD Single : A 17 SER OG : rot 11:sc= 0.895 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0237) USER MOD Single : A 28 THR OG1 : rot 58:sc= -1.43! USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.864! (180deg=-2.33!) USER MOD Single : A 35 MET CE :methyl 167:sc= -18.4! (180deg=-20.7!) USER MOD Single : A 39 SER OG : rot 87:sc= -0.174! USER MOD Single : A 41 THR OG1 : rot -45:sc= 0.706 USER MOD Single : A 44 THR OG1 : rot -167:sc= 0.705 USER MOD Single : A 51 THR OG1 : rot -166:sc= -1.55! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -1.1! USER MOD Single : A 58 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.3) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -122:sc= -2 (180deg=-4.67!) USER MOD Single : A 64 TYR OH : rot -81:sc= -7.4! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 14:sc= 0.888! USER MOD Single : A 74 LYS NZ :NH3+ -105:sc= -0.425 (180deg=-1.48!) USER MOD Single : A 76 TYR OH : rot 72:sc= 0.344 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0447 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 23:sc= 0.898 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 94 HIS : no HE2:sc= -26.5! C(o=-26!,f=-30!) USER MOD Single : A 95 GLN : amide:sc= -5.21! C(o=-5.2!,f=-2.9!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.0012) USER MOD Single : A 103 THR OG1 : rot -51:sc= 1.06 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 24:sc= -21.3! USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 181.001 12.420 -8.810 1.00 3.08 C HETATM 2 O ACE A 3 180.536 11.886 -7.802 1.00 3.61 O HETATM 3 CH3 ACE A 3 180.181 13.394 -9.616 1.00 3.64 C HETATM 0 H1 ACE A 3 180.683 14.361 -9.639 1.00 3.64 H new HETATM 0 H2 ACE A 3 180.068 13.020 -10.633 1.00 3.64 H new HETATM 0 H3 ACE A 3 179.198 13.507 -9.159 1.00 3.64 H new ATOM 7 N ASN A 4 182.231 12.180 -9.253 1.00 2.40 N ATOM 8 CA ASN A 4 183.125 11.255 -8.566 1.00 2.00 C ATOM 9 C ASN A 4 182.988 9.845 -9.131 1.00 1.48 C ATOM 10 O ASN A 4 183.749 8.946 -8.774 1.00 1.97 O ATOM 11 CB ASN A 4 182.829 11.247 -7.065 1.00 2.16 C ATOM 12 CG ASN A 4 182.576 12.638 -6.518 1.00 2.40 C ATOM 13 OD1 ASN A 4 181.504 12.922 -5.982 1.00 2.70 O ATOM 14 ND2 ASN A 4 183.564 13.516 -6.652 1.00 2.91 N ATOM 0 H ASN A 4 182.631 12.613 -10.085 1.00 2.40 H new ATOM 0 HA ASN A 4 184.149 11.593 -8.725 1.00 2.00 H new ATOM 0 HB2 ASN A 4 181.958 10.620 -6.873 1.00 2.16 H new ATOM 0 HB3 ASN A 4 183.669 10.798 -6.534 1.00 2.16 H new ATOM 0 HD21 ASN A 4 183.451 14.468 -6.304 1.00 2.91 H new ATOM 0 HD22 ASN A 4 184.436 13.238 -7.103 1.00 2.91 H new ATOM 21 N ASN A 5 182.014 9.661 -10.016 1.00 1.08 N ATOM 22 CA ASN A 5 181.777 8.361 -10.632 1.00 1.03 C ATOM 23 C ASN A 5 182.132 7.230 -9.671 1.00 0.84 C ATOM 24 O ASN A 5 182.544 6.150 -10.094 1.00 0.86 O ATOM 25 CB ASN A 5 182.594 8.226 -11.918 1.00 1.64 C ATOM 26 CG ASN A 5 184.033 8.669 -11.738 1.00 1.61 C ATOM 27 OD1 ASN A 5 184.526 9.529 -12.467 1.00 2.17 O ATOM 28 ND2 ASN A 5 184.715 8.081 -10.762 1.00 1.69 N ATOM 0 H ASN A 5 181.376 10.396 -10.323 1.00 1.08 H new ATOM 0 HA ASN A 5 180.716 8.290 -10.873 1.00 1.03 H new ATOM 0 HB2 ASN A 5 182.575 7.188 -12.250 1.00 1.64 H new ATOM 0 HB3 ASN A 5 182.129 8.821 -12.705 1.00 1.64 H new ATOM 0 HD21 ASN A 5 185.688 8.338 -10.593 1.00 1.69 H new ATOM 0 HD22 ASN A 5 184.266 7.373 -10.181 1.00 1.69 H new ATOM 35 N LEU A 6 181.969 7.486 -8.377 1.00 0.82 N ATOM 36 CA LEU A 6 182.273 6.488 -7.359 1.00 0.77 C ATOM 37 C LEU A 6 181.028 5.698 -6.980 1.00 0.69 C ATOM 38 O LEU A 6 181.050 4.470 -6.908 1.00 0.70 O ATOM 39 CB LEU A 6 182.868 7.159 -6.117 1.00 0.94 C ATOM 40 CG LEU A 6 183.233 6.204 -4.979 1.00 0.88 C ATOM 41 CD1 LEU A 6 184.259 5.191 -5.447 1.00 1.36 C ATOM 42 CD2 LEU A 6 183.759 6.972 -3.775 1.00 1.52 C ATOM 0 H LEU A 6 181.629 8.375 -8.009 1.00 0.82 H new ATOM 0 HA LEU A 6 183.005 5.795 -7.774 1.00 0.77 H new ATOM 0 HB2 LEU A 6 183.763 7.707 -6.412 1.00 0.94 H new ATOM 0 HB3 LEU A 6 182.154 7.892 -5.741 1.00 0.94 H new ATOM 0 HG LEU A 6 182.330 5.673 -4.678 1.00 0.88 H new ATOM 0 HD11 LEU A 6 184.508 4.519 -4.626 1.00 1.36 H new ATOM 0 HD12 LEU A 6 183.849 4.614 -6.276 1.00 1.36 H new ATOM 0 HD13 LEU A 6 185.159 5.710 -5.776 1.00 1.36 H new ATOM 0 HD21 LEU A 6 184.012 6.272 -2.979 1.00 1.52 H new ATOM 0 HD22 LEU A 6 184.649 7.532 -4.061 1.00 1.52 H new ATOM 0 HD23 LEU A 6 182.994 7.663 -3.421 1.00 1.52 H new ATOM 54 N GLU A 7 179.948 6.421 -6.739 1.00 0.74 N ATOM 55 CA GLU A 7 178.676 5.817 -6.361 1.00 0.76 C ATOM 56 C GLU A 7 178.121 4.946 -7.483 1.00 0.79 C ATOM 57 O GLU A 7 177.129 4.241 -7.301 1.00 0.85 O ATOM 58 CB GLU A 7 177.662 6.903 -5.998 1.00 0.85 C ATOM 59 CG GLU A 7 177.431 7.915 -7.108 1.00 1.65 C ATOM 60 CD GLU A 7 176.340 8.913 -6.771 1.00 2.18 C ATOM 61 OE1 GLU A 7 175.534 8.626 -5.862 1.00 2.59 O ATOM 62 OE2 GLU A 7 176.292 9.981 -7.417 1.00 2.85 O ATOM 0 H GLU A 7 179.925 7.439 -6.799 1.00 0.74 H new ATOM 0 HA GLU A 7 178.853 5.183 -5.492 1.00 0.76 H new ATOM 0 HB2 GLU A 7 176.713 6.432 -5.744 1.00 0.85 H new ATOM 0 HB3 GLU A 7 178.006 7.427 -5.106 1.00 0.85 H new ATOM 0 HG2 GLU A 7 178.360 8.451 -7.305 1.00 1.65 H new ATOM 0 HG3 GLU A 7 177.166 7.389 -8.025 1.00 1.65 H new ATOM 69 N THR A 8 178.763 5.002 -8.645 1.00 0.82 N ATOM 70 CA THR A 8 178.325 4.217 -9.793 1.00 0.89 C ATOM 71 C THR A 8 179.057 2.882 -9.857 1.00 0.82 C ATOM 72 O THR A 8 178.529 1.898 -10.376 1.00 0.86 O ATOM 73 CB THR A 8 178.550 4.999 -11.088 1.00 1.01 C ATOM 74 OG1 THR A 8 178.347 4.168 -12.217 1.00 1.33 O ATOM 75 CG2 THR A 8 179.939 5.590 -11.197 1.00 1.20 C ATOM 0 H THR A 8 179.585 5.581 -8.816 1.00 0.82 H new ATOM 0 HA THR A 8 177.260 4.018 -9.677 1.00 0.89 H new ATOM 0 HB THR A 8 177.827 5.814 -11.062 1.00 1.01 H new ATOM 0 HG1 THR A 8 178.494 4.687 -13.035 1.00 1.33 H new ATOM 0 HG21 THR A 8 180.031 6.131 -12.139 1.00 1.20 H new ATOM 0 HG22 THR A 8 180.109 6.275 -10.366 1.00 1.20 H new ATOM 0 HG23 THR A 8 180.678 4.790 -11.165 1.00 1.20 H new ATOM 83 N TYR A 9 180.275 2.853 -9.329 1.00 0.75 N ATOM 84 CA TYR A 9 181.075 1.635 -9.329 1.00 0.70 C ATOM 85 C TYR A 9 180.306 0.480 -8.696 1.00 0.65 C ATOM 86 O TYR A 9 179.084 0.537 -8.559 1.00 0.64 O ATOM 87 CB TYR A 9 182.392 1.865 -8.588 1.00 0.67 C ATOM 88 CG TYR A 9 183.437 2.568 -9.425 1.00 0.74 C ATOM 89 CD1 TYR A 9 184.322 1.846 -10.216 1.00 1.39 C ATOM 90 CD2 TYR A 9 183.534 3.953 -9.427 1.00 1.02 C ATOM 91 CE1 TYR A 9 185.276 2.486 -10.985 1.00 1.45 C ATOM 92 CE2 TYR A 9 184.485 4.600 -10.193 1.00 1.06 C ATOM 93 CZ TYR A 9 185.353 3.863 -10.969 1.00 0.89 C ATOM 94 OH TYR A 9 186.301 4.505 -11.734 1.00 0.97 O ATOM 0 H TYR A 9 180.729 3.657 -8.896 1.00 0.75 H new ATOM 0 HA TYR A 9 181.295 1.372 -10.364 1.00 0.70 H new ATOM 0 HB2 TYR A 9 182.198 2.455 -7.692 1.00 0.67 H new ATOM 0 HB3 TYR A 9 182.787 0.904 -8.258 1.00 0.67 H new ATOM 0 HD1 TYR A 9 184.264 0.768 -10.230 1.00 1.39 H new ATOM 0 HD2 TYR A 9 182.855 4.534 -8.820 1.00 1.02 H new ATOM 0 HE1 TYR A 9 185.957 1.911 -11.595 1.00 1.45 H new ATOM 0 HE2 TYR A 9 184.548 5.678 -10.183 1.00 1.06 H new ATOM 0 HH TYR A 9 186.076 5.456 -11.803 1.00 0.97 H new ATOM 104 N GLU A 10 181.027 -0.569 -8.318 1.00 0.64 N ATOM 105 CA GLU A 10 180.409 -1.740 -7.707 1.00 0.62 C ATOM 106 C GLU A 10 180.706 -1.808 -6.218 1.00 0.55 C ATOM 107 O GLU A 10 180.804 -2.895 -5.652 1.00 0.55 O ATOM 108 CB GLU A 10 180.924 -3.015 -8.372 1.00 0.68 C ATOM 109 CG GLU A 10 180.212 -4.274 -7.905 1.00 1.52 C ATOM 110 CD GLU A 10 178.825 -4.416 -8.501 1.00 2.23 C ATOM 111 OE1 GLU A 10 178.559 -3.783 -9.544 1.00 2.64 O ATOM 112 OE2 GLU A 10 178.004 -5.160 -7.924 1.00 2.87 O ATOM 0 H GLU A 10 182.039 -0.633 -8.424 1.00 0.64 H new ATOM 0 HA GLU A 10 179.332 -1.654 -7.848 1.00 0.62 H new ATOM 0 HB2 GLU A 10 180.811 -2.923 -9.452 1.00 0.68 H new ATOM 0 HB3 GLU A 10 181.991 -3.115 -8.171 1.00 0.68 H new ATOM 0 HG2 GLU A 10 180.809 -5.145 -8.173 1.00 1.52 H new ATOM 0 HG3 GLU A 10 180.136 -4.262 -6.818 1.00 1.52 H new ATOM 119 N TRP A 11 180.876 -0.660 -5.580 1.00 0.51 N ATOM 120 CA TRP A 11 181.192 -0.664 -4.162 1.00 0.45 C ATOM 121 C TRP A 11 180.835 0.641 -3.446 1.00 0.43 C ATOM 122 O TRP A 11 180.900 0.699 -2.219 1.00 0.53 O ATOM 123 CB TRP A 11 182.677 -0.961 -3.997 1.00 0.48 C ATOM 124 CG TRP A 11 183.490 -0.490 -5.160 1.00 0.51 C ATOM 125 CD1 TRP A 11 183.693 -1.136 -6.346 1.00 0.57 C ATOM 126 CD2 TRP A 11 184.202 0.740 -5.249 1.00 0.51 C ATOM 127 NE1 TRP A 11 184.498 -0.382 -7.161 1.00 0.59 N ATOM 128 CE2 TRP A 11 184.825 0.777 -6.507 1.00 0.55 C ATOM 129 CE3 TRP A 11 184.374 1.812 -4.380 1.00 0.52 C ATOM 130 CZ2 TRP A 11 185.610 1.850 -6.913 1.00 0.58 C ATOM 131 CZ3 TRP A 11 185.150 2.876 -4.782 1.00 0.58 C ATOM 132 CH2 TRP A 11 185.762 2.888 -6.041 1.00 0.59 C ATOM 0 H TRP A 11 180.803 0.263 -6.008 1.00 0.51 H new ATOM 0 HA TRP A 11 180.580 -1.435 -3.695 1.00 0.45 H new ATOM 0 HB2 TRP A 11 183.040 -0.483 -3.087 1.00 0.48 H new ATOM 0 HB3 TRP A 11 182.817 -2.035 -3.871 1.00 0.48 H new ATOM 0 HD1 TRP A 11 183.280 -2.100 -6.604 1.00 0.57 H new ATOM 0 HE1 TRP A 11 184.803 -0.641 -8.099 1.00 0.59 H new ATOM 0 HE3 TRP A 11 183.907 1.810 -3.406 1.00 0.52 H new ATOM 0 HZ2 TRP A 11 186.083 1.861 -7.884 1.00 0.58 H new ATOM 0 HZ3 TRP A 11 185.289 3.714 -4.116 1.00 0.58 H new ATOM 0 HH2 TRP A 11 186.366 3.736 -6.328 1.00 0.59 H new ATOM 143 N TYR A 12 180.449 1.682 -4.180 1.00 0.48 N ATOM 144 CA TYR A 12 180.091 2.935 -3.535 1.00 0.49 C ATOM 145 C TYR A 12 178.589 3.031 -3.345 1.00 0.55 C ATOM 146 O TYR A 12 177.839 3.247 -4.296 1.00 0.76 O ATOM 147 CB TYR A 12 180.579 4.154 -4.314 1.00 0.58 C ATOM 148 CG TYR A 12 180.272 5.446 -3.587 1.00 0.58 C ATOM 149 CD1 TYR A 12 179.668 5.418 -2.338 1.00 1.23 C ATOM 150 CD2 TYR A 12 180.583 6.684 -4.134 1.00 1.37 C ATOM 151 CE1 TYR A 12 179.382 6.577 -1.653 1.00 1.25 C ATOM 152 CE2 TYR A 12 180.300 7.854 -3.454 1.00 1.40 C ATOM 153 CZ TYR A 12 179.700 7.795 -2.212 1.00 0.66 C ATOM 154 OH TYR A 12 179.417 8.957 -1.532 1.00 0.74 O ATOM 0 H TYR A 12 180.378 1.682 -5.198 1.00 0.48 H new ATOM 0 HA TYR A 12 180.588 2.935 -2.565 1.00 0.49 H new ATOM 0 HB2 TYR A 12 181.654 4.075 -4.476 1.00 0.58 H new ATOM 0 HB3 TYR A 12 180.108 4.169 -5.297 1.00 0.58 H new ATOM 0 HD1 TYR A 12 179.417 4.466 -1.894 1.00 1.23 H new ATOM 0 HD2 TYR A 12 181.053 6.734 -5.105 1.00 1.37 H new ATOM 0 HE1 TYR A 12 178.911 6.532 -0.682 1.00 1.25 H new ATOM 0 HE2 TYR A 12 180.547 8.810 -3.892 1.00 1.40 H new ATOM 0 HH TYR A 12 178.626 8.823 -0.970 1.00 0.74 H new ATOM 164 N ASN A 13 178.163 2.874 -2.106 1.00 0.52 N ATOM 165 CA ASN A 13 176.756 2.944 -1.766 1.00 0.65 C ATOM 166 C ASN A 13 176.350 4.392 -1.504 1.00 0.75 C ATOM 167 O ASN A 13 177.062 5.317 -1.896 1.00 0.86 O ATOM 168 CB ASN A 13 176.496 2.067 -0.549 1.00 0.75 C ATOM 169 CG ASN A 13 175.359 1.088 -0.769 1.00 1.05 C ATOM 170 OD1 ASN A 13 174.193 1.477 -0.835 1.00 1.67 O ATOM 171 ND2 ASN A 13 175.696 -0.192 -0.885 1.00 0.90 N ATOM 0 H ASN A 13 178.778 2.696 -1.312 1.00 0.52 H new ATOM 0 HA ASN A 13 176.153 2.578 -2.597 1.00 0.65 H new ATOM 0 HB2 ASN A 13 177.403 1.515 -0.303 1.00 0.75 H new ATOM 0 HB3 ASN A 13 176.265 2.700 0.308 1.00 0.75 H new ATOM 0 HD21 ASN A 13 174.975 -0.898 -1.035 1.00 0.90 H new ATOM 0 HD22 ASN A 13 176.676 -0.469 -0.824 1.00 0.90 H new ATOM 178 N LYS A 14 175.209 4.595 -0.856 1.00 0.82 N ATOM 179 CA LYS A 14 174.742 5.946 -0.575 1.00 0.97 C ATOM 180 C LYS A 14 173.895 6.016 0.693 1.00 1.17 C ATOM 181 O LYS A 14 172.984 5.212 0.895 1.00 2.07 O ATOM 182 CB LYS A 14 173.943 6.485 -1.763 1.00 1.33 C ATOM 183 CG LYS A 14 174.581 7.694 -2.427 1.00 1.99 C ATOM 184 CD LYS A 14 173.634 8.883 -2.445 1.00 2.56 C ATOM 185 CE LYS A 14 172.419 8.614 -3.318 1.00 3.09 C ATOM 186 NZ LYS A 14 171.191 8.385 -2.507 1.00 3.72 N ATOM 0 H LYS A 14 174.597 3.852 -0.519 1.00 0.82 H new ATOM 0 HA LYS A 14 175.625 6.564 -0.413 1.00 0.97 H new ATOM 0 HB2 LYS A 14 173.829 5.693 -2.503 1.00 1.33 H new ATOM 0 HB3 LYS A 14 172.942 6.753 -1.425 1.00 1.33 H new ATOM 0 HG2 LYS A 14 175.494 7.963 -1.896 1.00 1.99 H new ATOM 0 HG3 LYS A 14 174.868 7.441 -3.447 1.00 1.99 H new ATOM 0 HD2 LYS A 14 173.311 9.107 -1.429 1.00 2.56 H new ATOM 0 HD3 LYS A 14 174.161 9.763 -2.814 1.00 2.56 H new ATOM 0 HE2 LYS A 14 172.259 9.459 -3.988 1.00 3.09 H new ATOM 0 HE3 LYS A 14 172.608 7.742 -3.944 1.00 3.09 H new ATOM 0 HZ1 LYS A 14 170.361 8.733 -3.028 1.00 3.72 H new ATOM 0 HZ2 LYS A 14 171.082 7.367 -2.322 1.00 3.72 H new ATOM 0 HZ3 LYS A 14 171.272 8.894 -1.604 1.00 3.72 H new ATOM 200 N SER A 15 174.199 7.001 1.535 1.00 0.92 N ATOM 201 CA SER A 15 173.471 7.212 2.783 1.00 1.18 C ATOM 202 C SER A 15 173.435 5.947 3.632 1.00 1.11 C ATOM 203 O SER A 15 172.710 5.879 4.625 1.00 1.65 O ATOM 204 CB SER A 15 172.044 7.679 2.488 1.00 1.67 C ATOM 205 OG SER A 15 171.252 7.673 3.662 1.00 2.00 O ATOM 0 H SER A 15 174.951 7.671 1.373 1.00 0.92 H new ATOM 0 HA SER A 15 173.997 7.982 3.347 1.00 1.18 H new ATOM 0 HB2 SER A 15 172.067 8.684 2.066 1.00 1.67 H new ATOM 0 HB3 SER A 15 171.593 7.029 1.738 1.00 1.67 H new ATOM 0 HG SER A 15 171.770 7.298 4.404 1.00 2.00 H new ATOM 211 N ILE A 16 174.212 4.946 3.239 1.00 0.75 N ATOM 212 CA ILE A 16 174.255 3.692 3.966 1.00 0.83 C ATOM 213 C ILE A 16 175.185 3.773 5.173 1.00 0.94 C ATOM 214 O ILE A 16 174.748 3.625 6.314 1.00 1.79 O ATOM 215 CB ILE A 16 174.703 2.552 3.042 1.00 0.88 C ATOM 216 CG1 ILE A 16 176.096 2.046 3.426 1.00 1.55 C ATOM 217 CG2 ILE A 16 174.681 3.017 1.597 1.00 1.60 C ATOM 218 CD1 ILE A 16 176.393 0.653 2.916 1.00 1.96 C ATOM 0 H ILE A 16 174.820 4.982 2.420 1.00 0.75 H new ATOM 0 HA ILE A 16 173.247 3.490 4.327 1.00 0.83 H new ATOM 0 HB ILE A 16 174.006 1.722 3.156 1.00 0.88 H new ATOM 0 HG12 ILE A 16 176.845 2.735 3.035 1.00 1.55 H new ATOM 0 HG13 ILE A 16 176.191 2.055 4.512 1.00 1.55 H new ATOM 0 HG21 ILE A 16 175.000 2.202 0.948 1.00 1.60 H new ATOM 0 HG22 ILE A 16 173.669 3.320 1.328 1.00 1.60 H new ATOM 0 HG23 ILE A 16 175.358 3.863 1.477 1.00 1.60 H new ATOM 0 HD11 ILE A 16 177.396 0.359 3.225 1.00 1.96 H new ATOM 0 HD12 ILE A 16 175.666 -0.048 3.327 1.00 1.96 H new ATOM 0 HD13 ILE A 16 176.331 0.643 1.828 1.00 1.96 H new ATOM 230 N SER A 17 176.467 4.005 4.917 1.00 0.76 N ATOM 231 CA SER A 17 177.452 4.100 5.987 1.00 0.75 C ATOM 232 C SER A 17 178.105 2.746 6.244 1.00 0.66 C ATOM 233 O SER A 17 177.447 1.707 6.182 1.00 0.63 O ATOM 234 CB SER A 17 176.795 4.614 7.269 1.00 1.03 C ATOM 235 OG SER A 17 177.768 4.949 8.243 1.00 1.49 O ATOM 0 H SER A 17 176.848 4.131 3.979 1.00 0.76 H new ATOM 0 HA SER A 17 178.224 4.804 5.676 1.00 0.75 H new ATOM 0 HB2 SER A 17 176.186 5.489 7.043 1.00 1.03 H new ATOM 0 HB3 SER A 17 176.124 3.853 7.668 1.00 1.03 H new ATOM 0 HG SER A 17 178.657 4.946 7.831 1.00 1.49 H new ATOM 241 N ARG A 18 179.402 2.765 6.529 1.00 0.68 N ATOM 242 CA ARG A 18 180.146 1.540 6.793 1.00 0.68 C ATOM 243 C ARG A 18 179.308 0.548 7.595 1.00 0.70 C ATOM 244 O ARG A 18 179.542 -0.663 7.541 1.00 0.68 O ATOM 245 CB ARG A 18 181.439 1.858 7.546 1.00 0.80 C ATOM 246 CG ARG A 18 181.401 1.471 9.016 1.00 1.14 C ATOM 247 CD ARG A 18 181.979 2.567 9.896 1.00 1.45 C ATOM 248 NE ARG A 18 181.019 3.644 10.128 1.00 1.54 N ATOM 249 CZ ARG A 18 180.583 3.998 11.333 1.00 2.09 C ATOM 250 NH1 ARG A 18 181.018 3.366 12.415 1.00 2.72 N ATOM 251 NH2 ARG A 18 179.709 4.988 11.458 1.00 2.61 N ATOM 0 H ARG A 18 179.960 3.617 6.583 1.00 0.68 H new ATOM 0 HA ARG A 18 180.392 1.083 5.834 1.00 0.68 H new ATOM 0 HB2 ARG A 18 182.267 1.338 7.064 1.00 0.80 H new ATOM 0 HB3 ARG A 18 181.643 2.926 7.466 1.00 0.80 H new ATOM 0 HG2 ARG A 18 180.372 1.269 9.314 1.00 1.14 H new ATOM 0 HG3 ARG A 18 181.963 0.549 9.165 1.00 1.14 H new ATOM 0 HD2 ARG A 18 182.285 2.141 10.852 1.00 1.45 H new ATOM 0 HD3 ARG A 18 182.875 2.974 9.427 1.00 1.45 H new ATOM 0 HE ARG A 18 180.663 4.153 9.319 1.00 1.54 H new ATOM 0 HH11 ARG A 18 181.690 2.604 12.325 1.00 2.72 H new ATOM 0 HH12 ARG A 18 180.680 3.642 13.337 1.00 2.72 H new ATOM 0 HH21 ARG A 18 179.371 5.478 10.629 1.00 2.61 H new ATOM 0 HH22 ARG A 18 179.375 5.259 12.383 1.00 2.61 H new ATOM 265 N ASP A 19 178.326 1.063 8.330 1.00 0.78 N ATOM 266 CA ASP A 19 177.456 0.216 9.132 1.00 0.88 C ATOM 267 C ASP A 19 176.799 -0.824 8.251 1.00 0.82 C ATOM 268 O ASP A 19 176.977 -2.030 8.437 1.00 0.85 O ATOM 269 CB ASP A 19 176.392 1.056 9.841 1.00 1.05 C ATOM 270 CG ASP A 19 176.269 0.713 11.312 1.00 1.46 C ATOM 271 OD1 ASP A 19 177.282 0.290 11.910 1.00 1.92 O ATOM 272 OD2 ASP A 19 175.161 0.866 11.867 1.00 2.19 O ATOM 0 H ASP A 19 178.115 2.059 8.385 1.00 0.78 H new ATOM 0 HA ASP A 19 178.058 -0.286 9.890 1.00 0.88 H new ATOM 0 HB2 ASP A 19 176.639 2.113 9.737 1.00 1.05 H new ATOM 0 HB3 ASP A 19 175.429 0.904 9.354 1.00 1.05 H new ATOM 277 N LYS A 20 176.061 -0.338 7.274 1.00 0.79 N ATOM 278 CA LYS A 20 175.386 -1.209 6.325 1.00 0.83 C ATOM 279 C LYS A 20 176.420 -1.977 5.528 1.00 0.70 C ATOM 280 O LYS A 20 176.307 -3.188 5.330 1.00 0.74 O ATOM 281 CB LYS A 20 174.485 -0.397 5.394 1.00 0.96 C ATOM 282 CG LYS A 20 174.172 0.992 5.920 1.00 1.66 C ATOM 283 CD LYS A 20 172.789 1.453 5.492 1.00 1.91 C ATOM 284 CE LYS A 20 172.322 2.637 6.322 1.00 2.08 C ATOM 285 NZ LYS A 20 170.850 2.839 6.226 1.00 2.67 N ATOM 0 H LYS A 20 175.911 0.658 7.114 1.00 0.79 H new ATOM 0 HA LYS A 20 174.756 -1.912 6.870 1.00 0.83 H new ATOM 0 HB2 LYS A 20 174.966 -0.309 4.420 1.00 0.96 H new ATOM 0 HB3 LYS A 20 173.552 -0.938 5.240 1.00 0.96 H new ATOM 0 HG2 LYS A 20 174.236 0.993 7.008 1.00 1.66 H new ATOM 0 HG3 LYS A 20 174.920 1.697 5.556 1.00 1.66 H new ATOM 0 HD2 LYS A 20 172.805 1.729 4.438 1.00 1.91 H new ATOM 0 HD3 LYS A 20 172.081 0.631 5.596 1.00 1.91 H new ATOM 0 HE2 LYS A 20 172.599 2.481 7.365 1.00 2.08 H new ATOM 0 HE3 LYS A 20 172.834 3.539 5.987 1.00 2.08 H new ATOM 0 HZ1 LYS A 20 170.573 3.656 6.807 1.00 2.67 H new ATOM 0 HZ2 LYS A 20 170.587 3.014 5.235 1.00 2.67 H new ATOM 0 HZ3 LYS A 20 170.360 1.988 6.569 1.00 2.67 H new ATOM 299 N ALA A 21 177.446 -1.259 5.103 1.00 0.63 N ATOM 300 CA ALA A 21 178.535 -1.858 4.353 1.00 0.64 C ATOM 301 C ALA A 21 179.058 -3.073 5.103 1.00 0.64 C ATOM 302 O ALA A 21 179.150 -4.170 4.552 1.00 0.68 O ATOM 303 CB ALA A 21 179.646 -0.846 4.124 1.00 0.71 C ATOM 0 H ALA A 21 177.547 -0.257 5.266 1.00 0.63 H new ATOM 0 HA ALA A 21 178.166 -2.175 3.377 1.00 0.64 H new ATOM 0 HB1 ALA A 21 180.453 -1.313 3.560 1.00 0.71 H new ATOM 0 HB2 ALA A 21 179.255 0.003 3.562 1.00 0.71 H new ATOM 0 HB3 ALA A 21 180.027 -0.500 5.085 1.00 0.71 H new ATOM 309 N GLU A 22 179.377 -2.870 6.379 1.00 0.68 N ATOM 310 CA GLU A 22 179.868 -3.953 7.219 1.00 0.81 C ATOM 311 C GLU A 22 178.738 -4.917 7.537 1.00 0.81 C ATOM 312 O GLU A 22 178.881 -6.135 7.401 1.00 0.87 O ATOM 313 CB GLU A 22 180.469 -3.399 8.512 1.00 0.97 C ATOM 314 CG GLU A 22 181.442 -4.352 9.187 1.00 1.18 C ATOM 315 CD GLU A 22 182.101 -3.744 10.410 1.00 1.80 C ATOM 316 OE1 GLU A 22 181.555 -2.758 10.949 1.00 2.50 O ATOM 317 OE2 GLU A 22 183.162 -4.252 10.828 1.00 2.37 O ATOM 0 H GLU A 22 179.304 -1.968 6.850 1.00 0.68 H new ATOM 0 HA GLU A 22 180.648 -4.488 6.677 1.00 0.81 H new ATOM 0 HB2 GLU A 22 180.983 -2.463 8.292 1.00 0.97 H new ATOM 0 HB3 GLU A 22 179.662 -3.164 9.206 1.00 0.97 H new ATOM 0 HG2 GLU A 22 180.913 -5.260 9.477 1.00 1.18 H new ATOM 0 HG3 GLU A 22 182.211 -4.646 8.473 1.00 1.18 H new ATOM 324 N LYS A 23 177.610 -4.355 7.948 1.00 0.82 N ATOM 325 CA LYS A 23 176.433 -5.148 8.279 1.00 0.92 C ATOM 326 C LYS A 23 176.042 -6.031 7.106 1.00 0.85 C ATOM 327 O LYS A 23 175.591 -7.162 7.283 1.00 0.89 O ATOM 328 CB LYS A 23 175.262 -4.241 8.663 1.00 1.08 C ATOM 329 CG LYS A 23 173.951 -4.631 8.000 1.00 1.43 C ATOM 330 CD LYS A 23 172.836 -3.664 8.361 1.00 1.90 C ATOM 331 CE LYS A 23 172.821 -2.460 7.433 1.00 2.40 C ATOM 332 NZ LYS A 23 171.437 -1.976 7.172 1.00 3.37 N ATOM 0 H LYS A 23 177.484 -3.349 8.061 1.00 0.82 H new ATOM 0 HA LYS A 23 176.678 -5.781 9.132 1.00 0.92 H new ATOM 0 HB2 LYS A 23 175.134 -4.265 9.745 1.00 1.08 H new ATOM 0 HB3 LYS A 23 175.505 -3.213 8.393 1.00 1.08 H new ATOM 0 HG2 LYS A 23 174.081 -4.651 6.918 1.00 1.43 H new ATOM 0 HG3 LYS A 23 173.673 -5.639 8.306 1.00 1.43 H new ATOM 0 HD2 LYS A 23 171.876 -4.178 8.308 1.00 1.90 H new ATOM 0 HD3 LYS A 23 172.962 -3.330 9.391 1.00 1.90 H new ATOM 0 HE2 LYS A 23 173.410 -1.655 7.873 1.00 2.40 H new ATOM 0 HE3 LYS A 23 173.297 -2.724 6.489 1.00 2.40 H new ATOM 0 HZ1 LYS A 23 171.464 -0.968 6.916 1.00 3.37 H new ATOM 0 HZ2 LYS A 23 171.021 -2.520 6.390 1.00 3.37 H new ATOM 0 HZ3 LYS A 23 170.859 -2.101 8.027 1.00 3.37 H new ATOM 346 N LEU A 24 176.228 -5.503 5.907 1.00 0.81 N ATOM 347 CA LEU A 24 175.909 -6.238 4.692 1.00 0.88 C ATOM 348 C LEU A 24 177.139 -6.981 4.185 1.00 0.85 C ATOM 349 O LEU A 24 177.040 -8.111 3.708 1.00 0.93 O ATOM 350 CB LEU A 24 175.380 -5.289 3.614 1.00 1.00 C ATOM 351 CG LEU A 24 176.333 -5.034 2.445 1.00 1.02 C ATOM 352 CD1 LEU A 24 175.575 -5.043 1.127 1.00 1.85 C ATOM 353 CD2 LEU A 24 177.057 -3.711 2.634 1.00 1.35 C ATOM 0 H LEU A 24 176.599 -4.566 5.748 1.00 0.81 H new ATOM 0 HA LEU A 24 175.131 -6.966 4.923 1.00 0.88 H new ATOM 0 HB2 LEU A 24 174.448 -5.696 3.220 1.00 1.00 H new ATOM 0 HB3 LEU A 24 175.139 -4.334 4.080 1.00 1.00 H new ATOM 0 HG LEU A 24 177.073 -5.834 2.420 1.00 1.02 H new ATOM 0 HD11 LEU A 24 176.269 -4.860 0.307 1.00 1.85 H new ATOM 0 HD12 LEU A 24 175.097 -6.013 0.989 1.00 1.85 H new ATOM 0 HD13 LEU A 24 174.814 -4.263 1.139 1.00 1.85 H new ATOM 0 HD21 LEU A 24 177.732 -3.542 1.795 1.00 1.35 H new ATOM 0 HD22 LEU A 24 176.329 -2.901 2.682 1.00 1.35 H new ATOM 0 HD23 LEU A 24 177.630 -3.739 3.561 1.00 1.35 H new ATOM 365 N LEU A 25 178.301 -6.342 4.299 1.00 0.82 N ATOM 366 CA LEU A 25 179.550 -6.951 3.858 1.00 0.95 C ATOM 367 C LEU A 25 179.894 -8.153 4.721 1.00 0.96 C ATOM 368 O LEU A 25 180.349 -9.183 4.224 1.00 1.05 O ATOM 369 CB LEU A 25 180.690 -5.934 3.908 1.00 1.09 C ATOM 370 CG LEU A 25 180.646 -4.853 2.828 1.00 0.82 C ATOM 371 CD1 LEU A 25 181.255 -3.562 3.347 1.00 1.31 C ATOM 372 CD2 LEU A 25 181.372 -5.321 1.576 1.00 1.50 C ATOM 0 H LEU A 25 178.402 -5.406 4.692 1.00 0.82 H new ATOM 0 HA LEU A 25 179.418 -7.284 2.828 1.00 0.95 H new ATOM 0 HB2 LEU A 25 180.681 -5.450 4.885 1.00 1.09 H new ATOM 0 HB3 LEU A 25 181.636 -6.469 3.826 1.00 1.09 H new ATOM 0 HG LEU A 25 179.604 -4.664 2.569 1.00 0.82 H new ATOM 0 HD11 LEU A 25 181.216 -2.802 2.567 1.00 1.31 H new ATOM 0 HD12 LEU A 25 180.694 -3.219 4.216 1.00 1.31 H new ATOM 0 HD13 LEU A 25 182.293 -3.738 3.631 1.00 1.31 H new ATOM 0 HD21 LEU A 25 181.331 -4.539 0.818 1.00 1.50 H new ATOM 0 HD22 LEU A 25 182.413 -5.537 1.818 1.00 1.50 H new ATOM 0 HD23 LEU A 25 180.894 -6.223 1.194 1.00 1.50 H new ATOM 384 N LEU A 26 179.671 -8.010 6.017 1.00 0.94 N ATOM 385 CA LEU A 26 179.953 -9.079 6.963 1.00 1.07 C ATOM 386 C LEU A 26 178.967 -10.229 6.790 1.00 1.07 C ATOM 387 O LEU A 26 179.218 -11.348 7.235 1.00 1.15 O ATOM 388 CB LEU A 26 179.894 -8.550 8.398 1.00 1.20 C ATOM 389 CG LEU A 26 178.568 -8.787 9.120 1.00 1.26 C ATOM 390 CD1 LEU A 26 178.524 -8.009 10.425 1.00 1.88 C ATOM 391 CD2 LEU A 26 177.400 -8.398 8.226 1.00 2.04 C ATOM 0 H LEU A 26 179.294 -7.162 6.440 1.00 0.94 H new ATOM 0 HA LEU A 26 180.958 -9.452 6.764 1.00 1.07 H new ATOM 0 HB2 LEU A 26 180.693 -9.017 8.974 1.00 1.20 H new ATOM 0 HB3 LEU A 26 180.096 -7.479 8.383 1.00 1.20 H new ATOM 0 HG LEU A 26 178.486 -9.849 9.352 1.00 1.26 H new ATOM 0 HD11 LEU A 26 177.572 -8.190 10.925 1.00 1.88 H new ATOM 0 HD12 LEU A 26 179.340 -8.334 11.070 1.00 1.88 H new ATOM 0 HD13 LEU A 26 178.628 -6.944 10.217 1.00 1.88 H new ATOM 0 HD21 LEU A 26 176.463 -8.573 8.755 1.00 2.04 H new ATOM 0 HD22 LEU A 26 177.478 -7.343 7.964 1.00 2.04 H new ATOM 0 HD23 LEU A 26 177.421 -8.999 7.317 1.00 2.04 H new ATOM 403 N ASP A 27 177.844 -9.942 6.141 1.00 1.03 N ATOM 404 CA ASP A 27 176.819 -10.944 5.908 1.00 1.10 C ATOM 405 C ASP A 27 176.942 -11.543 4.512 1.00 1.06 C ATOM 406 O ASP A 27 176.505 -12.668 4.267 1.00 1.17 O ATOM 407 CB ASP A 27 175.427 -10.337 6.096 1.00 1.16 C ATOM 408 CG ASP A 27 174.327 -11.237 5.571 1.00 1.50 C ATOM 409 OD1 ASP A 27 174.348 -11.559 4.364 1.00 2.16 O ATOM 410 OD2 ASP A 27 173.444 -11.621 6.366 1.00 2.01 O ATOM 0 H ASP A 27 177.623 -9.019 5.767 1.00 1.03 H new ATOM 0 HA ASP A 27 176.961 -11.742 6.636 1.00 1.10 H new ATOM 0 HB2 ASP A 27 175.259 -10.143 7.155 1.00 1.16 H new ATOM 0 HB3 ASP A 27 175.381 -9.376 5.584 1.00 1.16 H new ATOM 415 N THR A 28 177.536 -10.784 3.601 1.00 0.97 N ATOM 416 CA THR A 28 177.715 -11.237 2.229 1.00 1.01 C ATOM 417 C THR A 28 178.714 -12.382 2.159 1.00 1.00 C ATOM 418 O THR A 28 178.595 -13.279 1.323 1.00 1.13 O ATOM 419 CB THR A 28 178.178 -10.083 1.338 1.00 1.00 C ATOM 420 OG1 THR A 28 177.601 -8.860 1.760 1.00 1.71 O ATOM 421 CG2 THR A 28 177.827 -10.277 -0.121 1.00 1.58 C ATOM 0 H THR A 28 177.902 -9.851 3.788 1.00 0.97 H new ATOM 0 HA THR A 28 176.752 -11.597 1.868 1.00 1.01 H new ATOM 0 HB THR A 28 179.263 -10.061 1.435 1.00 1.00 H new ATOM 0 HG1 THR A 28 177.840 -8.691 2.695 1.00 1.71 H new ATOM 0 HG21 THR A 28 178.183 -9.423 -0.698 1.00 1.58 H new ATOM 0 HG22 THR A 28 178.299 -11.187 -0.491 1.00 1.58 H new ATOM 0 HG23 THR A 28 176.745 -10.360 -0.227 1.00 1.58 H new ATOM 429 N GLY A 29 179.697 -12.345 3.045 1.00 0.91 N ATOM 430 CA GLY A 29 180.709 -13.384 3.079 1.00 0.98 C ATOM 431 C GLY A 29 181.379 -13.591 1.734 1.00 1.00 C ATOM 432 O GLY A 29 181.296 -14.673 1.153 1.00 1.11 O ATOM 0 H GLY A 29 179.814 -11.612 3.744 1.00 0.91 H new ATOM 0 HA2 GLY A 29 181.465 -13.126 3.821 1.00 0.98 H new ATOM 0 HA3 GLY A 29 180.253 -14.320 3.401 1.00 0.98 H new ATOM 436 N LYS A 30 182.045 -12.552 1.239 1.00 0.94 N ATOM 437 CA LYS A 30 182.733 -12.627 -0.045 1.00 0.98 C ATOM 438 C LYS A 30 184.206 -12.263 0.108 1.00 0.92 C ATOM 439 O LYS A 30 184.541 -11.159 0.535 1.00 0.87 O ATOM 440 CB LYS A 30 182.066 -11.697 -1.059 1.00 1.03 C ATOM 441 CG LYS A 30 180.549 -11.791 -1.060 1.00 1.35 C ATOM 442 CD LYS A 30 179.968 -11.396 -2.407 1.00 1.69 C ATOM 443 CE LYS A 30 179.911 -12.580 -3.359 1.00 2.20 C ATOM 444 NZ LYS A 30 181.048 -12.576 -4.320 1.00 2.48 N ATOM 0 H LYS A 30 182.123 -11.649 1.707 1.00 0.94 H new ATOM 0 HA LYS A 30 182.667 -13.653 -0.407 1.00 0.98 H new ATOM 0 HB2 LYS A 30 182.358 -10.669 -0.845 1.00 1.03 H new ATOM 0 HB3 LYS A 30 182.438 -11.933 -2.056 1.00 1.03 H new ATOM 0 HG2 LYS A 30 180.246 -12.809 -0.816 1.00 1.35 H new ATOM 0 HG3 LYS A 30 180.143 -11.143 -0.283 1.00 1.35 H new ATOM 0 HD2 LYS A 30 178.965 -10.992 -2.267 1.00 1.69 H new ATOM 0 HD3 LYS A 30 180.573 -10.603 -2.847 1.00 1.69 H new ATOM 0 HE2 LYS A 30 179.923 -13.507 -2.786 1.00 2.20 H new ATOM 0 HE3 LYS A 30 178.970 -12.558 -3.910 1.00 2.20 H new ATOM 0 HZ1 LYS A 30 180.824 -13.195 -5.125 1.00 2.48 H new ATOM 0 HZ2 LYS A 30 181.210 -11.607 -4.662 1.00 2.48 H new ATOM 0 HZ3 LYS A 30 181.905 -12.923 -3.845 1.00 2.48 H new ATOM 458 N GLU A 31 185.081 -13.201 -0.237 1.00 1.05 N ATOM 459 CA GLU A 31 186.519 -12.982 -0.132 1.00 1.06 C ATOM 460 C GLU A 31 186.952 -11.759 -0.935 1.00 0.91 C ATOM 461 O GLU A 31 187.607 -11.883 -1.970 1.00 0.99 O ATOM 462 CB GLU A 31 187.281 -14.217 -0.614 1.00 1.32 C ATOM 463 CG GLU A 31 188.782 -14.002 -0.723 1.00 1.60 C ATOM 464 CD GLU A 31 189.417 -14.862 -1.797 1.00 2.13 C ATOM 465 OE1 GLU A 31 188.690 -15.304 -2.711 1.00 2.58 O ATOM 466 OE2 GLU A 31 190.642 -15.094 -1.725 1.00 2.80 O ATOM 0 H GLU A 31 184.820 -14.121 -0.592 1.00 1.05 H new ATOM 0 HA GLU A 31 186.753 -12.802 0.917 1.00 1.06 H new ATOM 0 HB2 GLU A 31 187.089 -15.042 0.072 1.00 1.32 H new ATOM 0 HB3 GLU A 31 186.893 -14.515 -1.588 1.00 1.32 H new ATOM 0 HG2 GLU A 31 188.980 -12.952 -0.939 1.00 1.60 H new ATOM 0 HG3 GLU A 31 189.248 -14.223 0.237 1.00 1.60 H new ATOM 473 N GLY A 32 186.584 -10.578 -0.449 1.00 0.80 N ATOM 474 CA GLY A 32 186.946 -9.350 -1.131 1.00 0.74 C ATOM 475 C GLY A 32 185.759 -8.435 -1.343 1.00 0.66 C ATOM 476 O GLY A 32 185.829 -7.492 -2.129 1.00 0.68 O ATOM 0 H GLY A 32 186.041 -10.450 0.405 1.00 0.80 H new ATOM 0 HA2 GLY A 32 187.706 -8.826 -0.551 1.00 0.74 H new ATOM 0 HA3 GLY A 32 187.392 -9.592 -2.096 1.00 0.74 H new ATOM 480 N ALA A 33 184.669 -8.705 -0.635 1.00 0.61 N ATOM 481 CA ALA A 33 183.469 -7.887 -0.753 1.00 0.56 C ATOM 482 C ALA A 33 183.720 -6.498 -0.187 1.00 0.48 C ATOM 483 O ALA A 33 183.916 -6.347 1.016 1.00 0.48 O ATOM 484 CB ALA A 33 182.306 -8.553 -0.033 1.00 0.60 C ATOM 0 H ALA A 33 184.591 -9.480 0.024 1.00 0.61 H new ATOM 0 HA ALA A 33 183.214 -7.789 -1.808 1.00 0.56 H new ATOM 0 HB1 ALA A 33 181.415 -7.932 -0.128 1.00 0.60 H new ATOM 0 HB2 ALA A 33 182.116 -9.531 -0.476 1.00 0.60 H new ATOM 0 HB3 ALA A 33 182.552 -8.674 1.022 1.00 0.60 H new ATOM 490 N PHE A 34 183.742 -5.480 -1.046 1.00 0.43 N ATOM 491 CA PHE A 34 183.998 -4.131 -0.575 1.00 0.37 C ATOM 492 C PHE A 34 183.039 -3.103 -1.154 1.00 0.33 C ATOM 493 O PHE A 34 182.415 -3.313 -2.194 1.00 0.37 O ATOM 494 CB PHE A 34 185.433 -3.722 -0.896 1.00 0.35 C ATOM 495 CG PHE A 34 185.773 -3.754 -2.362 1.00 0.39 C ATOM 496 CD1 PHE A 34 184.954 -3.149 -3.308 1.00 0.43 C ATOM 497 CD2 PHE A 34 186.931 -4.378 -2.793 1.00 0.45 C ATOM 498 CE1 PHE A 34 185.289 -3.171 -4.647 1.00 0.50 C ATOM 499 CE2 PHE A 34 187.265 -4.403 -4.133 1.00 0.52 C ATOM 500 CZ PHE A 34 186.444 -3.799 -5.060 1.00 0.54 C ATOM 0 H PHE A 34 183.588 -5.565 -2.051 1.00 0.43 H new ATOM 0 HA PHE A 34 183.841 -4.148 0.504 1.00 0.37 H new ATOM 0 HB2 PHE A 34 185.605 -2.714 -0.517 1.00 0.35 H new ATOM 0 HB3 PHE A 34 186.115 -4.384 -0.362 1.00 0.35 H new ATOM 0 HD1 PHE A 34 184.046 -2.657 -2.992 1.00 0.43 H new ATOM 0 HD2 PHE A 34 187.582 -4.851 -2.072 1.00 0.45 H new ATOM 0 HE1 PHE A 34 184.645 -2.695 -5.372 1.00 0.50 H new ATOM 0 HE2 PHE A 34 188.170 -4.896 -4.454 1.00 0.52 H new ATOM 0 HZ PHE A 34 186.705 -3.818 -6.108 1.00 0.54 H new ATOM 510 N MET A 35 182.961 -1.976 -0.459 1.00 0.29 N ATOM 511 CA MET A 35 182.123 -0.858 -0.860 1.00 0.27 C ATOM 512 C MET A 35 182.816 0.442 -0.479 1.00 0.24 C ATOM 513 O MET A 35 183.972 0.430 -0.058 1.00 0.45 O ATOM 514 CB MET A 35 180.750 -0.938 -0.190 1.00 0.32 C ATOM 515 CG MET A 35 180.749 -1.734 1.103 1.00 0.82 C ATOM 516 SD MET A 35 179.273 -2.752 1.292 1.00 2.27 S ATOM 517 CE MET A 35 178.816 -3.021 -0.418 1.00 3.16 C ATOM 0 H MET A 35 183.481 -1.813 0.403 1.00 0.29 H new ATOM 0 HA MET A 35 181.973 -0.895 -1.939 1.00 0.27 H new ATOM 0 HB2 MET A 35 180.396 0.072 0.015 1.00 0.32 H new ATOM 0 HB3 MET A 35 180.042 -1.389 -0.885 1.00 0.32 H new ATOM 0 HG2 MET A 35 181.632 -2.372 1.133 1.00 0.82 H new ATOM 0 HG3 MET A 35 180.823 -1.048 1.947 1.00 0.82 H new ATOM 0 HE1 MET A 35 178.069 -3.813 -0.475 1.00 3.16 H new ATOM 0 HE2 MET A 35 178.403 -2.102 -0.833 1.00 3.16 H new ATOM 0 HE3 MET A 35 179.698 -3.313 -0.989 1.00 3.16 H new ATOM 527 N VAL A 36 182.120 1.559 -0.617 1.00 0.34 N ATOM 528 CA VAL A 36 182.701 2.843 -0.274 1.00 0.32 C ATOM 529 C VAL A 36 181.620 3.896 -0.134 1.00 0.37 C ATOM 530 O VAL A 36 180.601 3.840 -0.817 1.00 0.49 O ATOM 531 CB VAL A 36 183.735 3.289 -1.325 1.00 0.43 C ATOM 532 CG1 VAL A 36 184.674 2.139 -1.654 1.00 1.02 C ATOM 533 CG2 VAL A 36 183.044 3.799 -2.581 1.00 0.88 C ATOM 0 H VAL A 36 181.161 1.601 -0.961 1.00 0.34 H new ATOM 0 HA VAL A 36 183.213 2.728 0.682 1.00 0.32 H new ATOM 0 HB VAL A 36 184.321 4.109 -0.910 1.00 0.43 H new ATOM 0 HG11 VAL A 36 185.401 2.464 -2.398 1.00 1.02 H new ATOM 0 HG12 VAL A 36 185.196 1.825 -0.750 1.00 1.02 H new ATOM 0 HG13 VAL A 36 184.099 1.302 -2.050 1.00 1.02 H new ATOM 0 HG21 VAL A 36 183.794 4.108 -3.309 1.00 0.88 H new ATOM 0 HG22 VAL A 36 182.431 3.005 -3.007 1.00 0.88 H new ATOM 0 HG23 VAL A 36 182.411 4.650 -2.328 1.00 0.88 H new ATOM 543 N ARG A 37 181.835 4.848 0.761 1.00 0.39 N ATOM 544 CA ARG A 37 180.861 5.896 0.983 1.00 0.50 C ATOM 545 C ARG A 37 181.509 7.153 1.543 1.00 0.55 C ATOM 546 O ARG A 37 182.531 7.092 2.229 1.00 0.60 O ATOM 547 CB ARG A 37 179.763 5.409 1.930 1.00 0.68 C ATOM 548 CG ARG A 37 178.674 6.440 2.180 1.00 1.41 C ATOM 549 CD ARG A 37 178.797 7.055 3.564 1.00 1.93 C ATOM 550 NE ARG A 37 177.937 8.224 3.721 1.00 2.09 N ATOM 551 CZ ARG A 37 177.410 8.599 4.882 1.00 2.32 C ATOM 552 NH1 ARG A 37 177.655 7.898 5.981 1.00 2.72 N ATOM 553 NH2 ARG A 37 176.638 9.675 4.946 1.00 2.83 N ATOM 0 H ARG A 37 182.672 4.913 1.341 1.00 0.39 H new ATOM 0 HA ARG A 37 180.420 6.146 0.018 1.00 0.50 H new ATOM 0 HB2 ARG A 37 179.311 4.508 1.516 1.00 0.68 H new ATOM 0 HB3 ARG A 37 180.214 5.130 2.883 1.00 0.68 H new ATOM 0 HG2 ARG A 37 178.734 7.224 1.425 1.00 1.41 H new ATOM 0 HG3 ARG A 37 177.696 5.971 2.075 1.00 1.41 H new ATOM 0 HD2 ARG A 37 178.537 6.310 4.316 1.00 1.93 H new ATOM 0 HD3 ARG A 37 179.834 7.341 3.743 1.00 1.93 H new ATOM 0 HE ARG A 37 177.729 8.784 2.894 1.00 2.09 H new ATOM 0 HH11 ARG A 37 178.249 7.070 5.936 1.00 2.72 H new ATOM 0 HH12 ARG A 37 177.250 8.187 6.871 1.00 2.72 H new ATOM 0 HH21 ARG A 37 176.447 10.217 4.103 1.00 2.83 H new ATOM 0 HH22 ARG A 37 176.235 9.961 5.838 1.00 2.83 H new ATOM 567 N ASP A 38 180.896 8.291 1.244 1.00 0.69 N ATOM 568 CA ASP A 38 181.393 9.576 1.717 1.00 0.84 C ATOM 569 C ASP A 38 180.785 9.915 3.075 1.00 0.94 C ATOM 570 O ASP A 38 179.681 10.451 3.155 1.00 1.07 O ATOM 571 CB ASP A 38 181.064 10.678 0.709 1.00 1.01 C ATOM 572 CG ASP A 38 180.425 11.888 1.362 1.00 1.62 C ATOM 573 OD1 ASP A 38 181.064 12.490 2.250 1.00 2.19 O ATOM 574 OD2 ASP A 38 179.285 12.233 0.985 1.00 2.40 O ATOM 0 H ASP A 38 180.052 8.350 0.675 1.00 0.69 H new ATOM 0 HA ASP A 38 182.476 9.507 1.824 1.00 0.84 H new ATOM 0 HB2 ASP A 38 181.977 10.984 0.199 1.00 1.01 H new ATOM 0 HB3 ASP A 38 180.391 10.282 -0.052 1.00 1.01 H new ATOM 579 N SER A 39 181.512 9.589 4.139 1.00 1.26 N ATOM 580 CA SER A 39 181.046 9.851 5.498 1.00 1.54 C ATOM 581 C SER A 39 180.479 11.262 5.623 1.00 1.31 C ATOM 582 O SER A 39 180.146 11.901 4.625 1.00 1.43 O ATOM 583 CB SER A 39 182.186 9.655 6.499 1.00 2.13 C ATOM 584 OG SER A 39 181.688 9.284 7.773 1.00 3.03 O ATOM 0 H SER A 39 182.428 9.142 4.087 1.00 1.26 H new ATOM 0 HA SER A 39 180.249 9.141 5.721 1.00 1.54 H new ATOM 0 HB2 SER A 39 182.867 8.886 6.133 1.00 2.13 H new ATOM 0 HB3 SER A 39 182.762 10.577 6.584 1.00 2.13 H new ATOM 0 HG SER A 39 181.588 8.310 7.814 1.00 3.03 H new ATOM 590 N ARG A 40 180.364 11.740 6.858 1.00 1.48 N ATOM 591 CA ARG A 40 179.828 13.072 7.117 1.00 1.65 C ATOM 592 C ARG A 40 180.939 14.115 7.206 1.00 1.49 C ATOM 593 O ARG A 40 180.871 15.161 6.561 1.00 1.81 O ATOM 594 CB ARG A 40 179.013 13.070 8.411 1.00 2.32 C ATOM 595 CG ARG A 40 178.112 11.854 8.560 1.00 2.60 C ATOM 596 CD ARG A 40 177.278 11.624 7.310 1.00 2.89 C ATOM 597 NE ARG A 40 176.306 12.692 7.097 1.00 3.15 N ATOM 598 CZ ARG A 40 176.028 13.209 5.904 1.00 3.27 C ATOM 599 NH1 ARG A 40 176.645 12.754 4.822 1.00 3.28 N ATOM 600 NH2 ARG A 40 175.132 14.180 5.793 1.00 3.85 N ATOM 0 H ARG A 40 180.635 11.225 7.696 1.00 1.48 H new ATOM 0 HA ARG A 40 179.181 13.338 6.281 1.00 1.65 H new ATOM 0 HB2 ARG A 40 179.695 13.113 9.260 1.00 2.32 H new ATOM 0 HB3 ARG A 40 178.402 13.972 8.447 1.00 2.32 H new ATOM 0 HG2 ARG A 40 178.720 10.972 8.761 1.00 2.60 H new ATOM 0 HG3 ARG A 40 177.454 11.990 9.418 1.00 2.60 H new ATOM 0 HD2 ARG A 40 177.935 11.554 6.443 1.00 2.89 H new ATOM 0 HD3 ARG A 40 176.757 10.670 7.392 1.00 2.89 H new ATOM 0 HE ARG A 40 175.812 13.062 7.909 1.00 3.15 H new ATOM 0 HH11 ARG A 40 177.334 12.006 4.904 1.00 3.28 H new ATOM 0 HH12 ARG A 40 176.431 13.152 3.907 1.00 3.28 H new ATOM 0 HH21 ARG A 40 174.655 14.531 6.623 1.00 3.85 H new ATOM 0 HH22 ARG A 40 174.920 14.576 4.877 1.00 3.85 H new ATOM 614 N THR A 41 181.954 13.832 8.016 1.00 1.59 N ATOM 615 CA THR A 41 183.065 14.751 8.195 1.00 1.97 C ATOM 616 C THR A 41 184.310 14.293 7.435 1.00 2.12 C ATOM 617 O THR A 41 185.425 14.697 7.763 1.00 2.32 O ATOM 618 CB THR A 41 183.392 14.898 9.681 1.00 2.55 C ATOM 619 OG1 THR A 41 184.322 15.947 9.888 1.00 3.50 O ATOM 620 CG2 THR A 41 183.974 13.642 10.293 1.00 2.47 C ATOM 0 H THR A 41 182.027 12.971 8.558 1.00 1.59 H new ATOM 0 HA THR A 41 182.761 15.716 7.789 1.00 1.97 H new ATOM 0 HB THR A 41 182.440 15.112 10.167 1.00 2.55 H new ATOM 0 HG1 THR A 41 185.039 15.885 9.223 1.00 3.50 H new ATOM 0 HG21 THR A 41 184.183 13.815 11.349 1.00 2.47 H new ATOM 0 HG22 THR A 41 183.260 12.824 10.194 1.00 2.47 H new ATOM 0 HG23 THR A 41 184.899 13.381 9.778 1.00 2.47 H new ATOM 628 N PRO A 42 184.141 13.442 6.410 1.00 2.68 N ATOM 629 CA PRO A 42 185.256 12.934 5.614 1.00 3.32 C ATOM 630 C PRO A 42 185.619 13.858 4.458 1.00 3.00 C ATOM 631 O PRO A 42 184.743 14.389 3.776 1.00 3.46 O ATOM 632 CB PRO A 42 184.693 11.626 5.077 1.00 4.37 C ATOM 633 CG PRO A 42 183.252 11.928 4.854 1.00 4.30 C ATOM 634 CD PRO A 42 182.852 12.896 5.943 1.00 3.26 C ATOM 0 HA PRO A 42 186.173 12.837 6.195 1.00 3.32 H new ATOM 0 HB2 PRO A 42 185.187 11.327 4.153 1.00 4.37 H new ATOM 0 HB3 PRO A 42 184.826 10.811 5.788 1.00 4.37 H new ATOM 0 HG2 PRO A 42 183.094 12.364 3.868 1.00 4.30 H new ATOM 0 HG3 PRO A 42 182.652 11.019 4.901 1.00 4.30 H new ATOM 0 HD2 PRO A 42 182.198 13.681 5.562 1.00 3.26 H new ATOM 0 HD3 PRO A 42 182.313 12.395 6.747 1.00 3.26 H new ATOM 642 N GLY A 43 186.915 14.031 4.230 1.00 2.58 N ATOM 643 CA GLY A 43 187.364 14.875 3.140 1.00 2.56 C ATOM 644 C GLY A 43 187.426 14.112 1.833 1.00 2.07 C ATOM 645 O GLY A 43 188.036 14.565 0.865 1.00 2.58 O ATOM 0 H GLY A 43 187.661 13.603 4.779 1.00 2.58 H new ATOM 0 HA2 GLY A 43 186.689 15.724 3.035 1.00 2.56 H new ATOM 0 HA3 GLY A 43 188.349 15.278 3.374 1.00 2.56 H new ATOM 649 N THR A 44 186.794 12.942 1.815 1.00 1.46 N ATOM 650 CA THR A 44 186.774 12.095 0.635 1.00 1.39 C ATOM 651 C THR A 44 185.702 11.014 0.759 1.00 1.10 C ATOM 652 O THR A 44 184.533 11.311 1.010 1.00 1.21 O ATOM 653 CB THR A 44 188.143 11.451 0.441 1.00 1.76 C ATOM 654 OG1 THR A 44 188.170 10.666 -0.738 1.00 2.60 O ATOM 655 CG2 THR A 44 188.550 10.564 1.598 1.00 2.09 C ATOM 0 H THR A 44 186.286 12.560 2.613 1.00 1.46 H new ATOM 0 HA THR A 44 186.537 12.713 -0.231 1.00 1.39 H new ATOM 0 HB THR A 44 188.847 12.280 0.372 1.00 1.76 H new ATOM 0 HG1 THR A 44 188.971 10.101 -0.737 1.00 2.60 H new ATOM 0 HG21 THR A 44 189.532 10.136 1.400 1.00 2.09 H new ATOM 0 HG22 THR A 44 188.590 11.155 2.513 1.00 2.09 H new ATOM 0 HG23 THR A 44 187.821 9.762 1.715 1.00 2.09 H new ATOM 663 N TYR A 45 186.109 9.760 0.584 1.00 0.86 N ATOM 664 CA TYR A 45 185.186 8.633 0.678 1.00 0.64 C ATOM 665 C TYR A 45 185.815 7.480 1.453 1.00 0.56 C ATOM 666 O TYR A 45 187.038 7.353 1.511 1.00 0.65 O ATOM 667 CB TYR A 45 184.785 8.156 -0.718 1.00 0.71 C ATOM 668 CG TYR A 45 183.963 9.160 -1.491 1.00 0.78 C ATOM 669 CD1 TYR A 45 182.609 9.326 -1.229 1.00 0.95 C ATOM 670 CD2 TYR A 45 184.542 9.943 -2.481 1.00 1.30 C ATOM 671 CE1 TYR A 45 181.854 10.244 -1.935 1.00 1.02 C ATOM 672 CE2 TYR A 45 183.794 10.863 -3.191 1.00 1.39 C ATOM 673 CZ TYR A 45 182.451 11.010 -2.914 1.00 0.99 C ATOM 674 OH TYR A 45 181.703 11.924 -3.619 1.00 1.11 O ATOM 0 H TYR A 45 187.073 9.498 0.376 1.00 0.86 H new ATOM 0 HA TYR A 45 184.297 8.969 1.211 1.00 0.64 H new ATOM 0 HB2 TYR A 45 185.686 7.924 -1.286 1.00 0.71 H new ATOM 0 HB3 TYR A 45 184.218 7.229 -0.627 1.00 0.71 H new ATOM 0 HD1 TYR A 45 182.139 8.729 -0.462 1.00 0.95 H new ATOM 0 HD2 TYR A 45 185.594 9.831 -2.700 1.00 1.30 H new ATOM 0 HE1 TYR A 45 180.802 10.361 -1.721 1.00 1.02 H new ATOM 0 HE2 TYR A 45 184.259 11.464 -3.959 1.00 1.39 H new ATOM 0 HH TYR A 45 182.274 12.672 -3.893 1.00 1.11 H new ATOM 684 N THR A 46 184.973 6.639 2.043 1.00 0.46 N ATOM 685 CA THR A 46 185.452 5.493 2.808 1.00 0.46 C ATOM 686 C THR A 46 185.022 4.186 2.152 1.00 0.36 C ATOM 687 O THR A 46 183.864 4.033 1.761 1.00 0.41 O ATOM 688 CB THR A 46 184.925 5.552 4.241 1.00 0.57 C ATOM 689 OG1 THR A 46 185.992 5.487 5.170 1.00 0.77 O ATOM 690 CG2 THR A 46 183.960 4.433 4.567 1.00 1.10 C ATOM 0 H THR A 46 183.958 6.729 2.007 1.00 0.46 H new ATOM 0 HA THR A 46 186.541 5.531 2.827 1.00 0.46 H new ATOM 0 HB THR A 46 184.395 6.501 4.318 1.00 0.57 H new ATOM 0 HG1 THR A 46 186.201 6.389 5.492 1.00 0.77 H new ATOM 0 HG21 THR A 46 183.623 4.532 5.599 1.00 1.10 H new ATOM 0 HG22 THR A 46 183.101 4.487 3.898 1.00 1.10 H new ATOM 0 HG23 THR A 46 184.460 3.473 4.439 1.00 1.10 H new ATOM 698 N VAL A 47 185.961 3.250 2.029 1.00 0.37 N ATOM 699 CA VAL A 47 185.682 1.962 1.417 1.00 0.29 C ATOM 700 C VAL A 47 185.468 0.874 2.462 1.00 0.28 C ATOM 701 O VAL A 47 186.224 0.769 3.432 1.00 0.37 O ATOM 702 CB VAL A 47 186.820 1.516 0.477 1.00 0.35 C ATOM 703 CG1 VAL A 47 186.514 0.143 -0.120 1.00 0.93 C ATOM 704 CG2 VAL A 47 187.052 2.551 -0.618 1.00 1.05 C ATOM 0 H VAL A 47 186.923 3.365 2.348 1.00 0.37 H new ATOM 0 HA VAL A 47 184.767 2.097 0.841 1.00 0.29 H new ATOM 0 HB VAL A 47 187.738 1.435 1.060 1.00 0.35 H new ATOM 0 HG11 VAL A 47 187.328 -0.156 -0.781 1.00 0.93 H new ATOM 0 HG12 VAL A 47 186.411 -0.588 0.682 1.00 0.93 H new ATOM 0 HG13 VAL A 47 185.585 0.192 -0.688 1.00 0.93 H new ATOM 0 HG21 VAL A 47 187.859 2.216 -1.270 1.00 1.05 H new ATOM 0 HG22 VAL A 47 186.140 2.673 -1.203 1.00 1.05 H new ATOM 0 HG23 VAL A 47 187.323 3.505 -0.166 1.00 1.05 H new ATOM 714 N SER A 48 184.445 0.054 2.236 1.00 0.29 N ATOM 715 CA SER A 48 184.125 -1.054 3.129 1.00 0.33 C ATOM 716 C SER A 48 184.436 -2.373 2.435 1.00 0.32 C ATOM 717 O SER A 48 183.700 -2.800 1.547 1.00 0.32 O ATOM 718 CB SER A 48 182.648 -1.006 3.535 1.00 0.38 C ATOM 719 OG SER A 48 182.470 -1.452 4.868 1.00 1.34 O ATOM 0 H SER A 48 183.819 0.138 1.435 1.00 0.29 H new ATOM 0 HA SER A 48 184.731 -0.969 4.031 1.00 0.33 H new ATOM 0 HB2 SER A 48 182.274 0.013 3.436 1.00 0.38 H new ATOM 0 HB3 SER A 48 182.062 -1.628 2.859 1.00 0.38 H new ATOM 0 HG SER A 48 182.224 -0.693 5.437 1.00 1.34 H new ATOM 725 N VAL A 49 185.543 -3.000 2.826 1.00 0.37 N ATOM 726 CA VAL A 49 185.967 -4.252 2.222 1.00 0.40 C ATOM 727 C VAL A 49 185.700 -5.450 3.127 1.00 0.47 C ATOM 728 O VAL A 49 185.746 -5.343 4.352 1.00 0.52 O ATOM 729 CB VAL A 49 187.463 -4.220 1.874 1.00 0.45 C ATOM 730 CG1 VAL A 49 187.751 -5.060 0.640 1.00 0.92 C ATOM 731 CG2 VAL A 49 187.930 -2.786 1.677 1.00 1.17 C ATOM 0 H VAL A 49 186.161 -2.657 3.561 1.00 0.37 H new ATOM 0 HA VAL A 49 185.378 -4.364 1.312 1.00 0.40 H new ATOM 0 HB VAL A 49 188.019 -4.651 2.707 1.00 0.45 H new ATOM 0 HG11 VAL A 49 188.817 -5.021 0.414 1.00 0.92 H new ATOM 0 HG12 VAL A 49 187.457 -6.093 0.826 1.00 0.92 H new ATOM 0 HG13 VAL A 49 187.186 -4.669 -0.206 1.00 0.92 H new ATOM 0 HG21 VAL A 49 188.992 -2.780 1.431 1.00 1.17 H new ATOM 0 HG22 VAL A 49 187.366 -2.328 0.864 1.00 1.17 H new ATOM 0 HG23 VAL A 49 187.767 -2.221 2.595 1.00 1.17 H new ATOM 741 N PHE A 50 185.428 -6.591 2.503 1.00 0.51 N ATOM 742 CA PHE A 50 185.158 -7.826 3.229 1.00 0.60 C ATOM 743 C PHE A 50 185.774 -9.023 2.510 1.00 0.68 C ATOM 744 O PHE A 50 185.378 -9.363 1.390 1.00 0.70 O ATOM 745 CB PHE A 50 183.652 -8.040 3.389 1.00 0.64 C ATOM 746 CG PHE A 50 183.302 -9.377 3.979 1.00 0.80 C ATOM 747 CD1 PHE A 50 183.497 -10.540 3.252 1.00 1.42 C ATOM 748 CD2 PHE A 50 182.782 -9.472 5.261 1.00 1.50 C ATOM 749 CE1 PHE A 50 183.181 -11.772 3.792 1.00 1.54 C ATOM 750 CE2 PHE A 50 182.464 -10.701 5.805 1.00 1.64 C ATOM 751 CZ PHE A 50 182.664 -11.853 5.070 1.00 1.21 C ATOM 0 H PHE A 50 185.389 -6.686 1.488 1.00 0.51 H new ATOM 0 HA PHE A 50 185.610 -7.738 4.217 1.00 0.60 H new ATOM 0 HB2 PHE A 50 183.245 -7.253 4.024 1.00 0.64 H new ATOM 0 HB3 PHE A 50 183.173 -7.944 2.415 1.00 0.64 H new ATOM 0 HD1 PHE A 50 183.901 -10.483 2.252 1.00 1.42 H new ATOM 0 HD2 PHE A 50 182.624 -8.575 5.841 1.00 1.50 H new ATOM 0 HE1 PHE A 50 183.338 -12.671 3.215 1.00 1.54 H new ATOM 0 HE2 PHE A 50 182.059 -10.761 6.804 1.00 1.64 H new ATOM 0 HZ PHE A 50 182.417 -12.815 5.494 1.00 1.21 H new ATOM 761 N THR A 51 186.747 -9.654 3.161 1.00 0.75 N ATOM 762 CA THR A 51 187.426 -10.809 2.598 1.00 0.85 C ATOM 763 C THR A 51 186.708 -12.102 2.973 1.00 0.95 C ATOM 764 O THR A 51 185.494 -12.115 3.173 1.00 0.98 O ATOM 765 CB THR A 51 188.877 -10.859 3.082 1.00 0.88 C ATOM 766 OG1 THR A 51 189.576 -11.923 2.460 1.00 1.12 O ATOM 767 CG2 THR A 51 189.002 -11.040 4.579 1.00 1.07 C ATOM 0 H THR A 51 187.082 -9.380 4.085 1.00 0.75 H new ATOM 0 HA THR A 51 187.414 -10.711 1.512 1.00 0.85 H new ATOM 0 HB THR A 51 189.306 -9.894 2.812 1.00 0.88 H new ATOM 0 HG1 THR A 51 190.419 -12.081 2.933 1.00 1.12 H new ATOM 0 HG21 THR A 51 190.056 -11.067 4.855 1.00 1.07 H new ATOM 0 HG22 THR A 51 188.515 -10.208 5.088 1.00 1.07 H new ATOM 0 HG23 THR A 51 188.525 -11.975 4.873 1.00 1.07 H new ATOM 775 N LYS A 52 187.470 -13.188 3.070 1.00 1.05 N ATOM 776 CA LYS A 52 186.910 -14.488 3.425 1.00 1.17 C ATOM 777 C LYS A 52 187.975 -15.384 4.045 1.00 1.24 C ATOM 778 O LYS A 52 188.673 -16.115 3.342 1.00 1.39 O ATOM 779 CB LYS A 52 186.313 -15.167 2.192 1.00 1.35 C ATOM 780 CG LYS A 52 185.022 -15.917 2.476 1.00 1.98 C ATOM 781 CD LYS A 52 185.149 -17.393 2.137 1.00 2.54 C ATOM 782 CE LYS A 52 185.847 -18.162 3.248 1.00 3.24 C ATOM 783 NZ LYS A 52 185.521 -19.614 3.208 1.00 3.96 N ATOM 0 H LYS A 52 188.477 -13.193 2.908 1.00 1.05 H new ATOM 0 HA LYS A 52 186.120 -14.327 4.158 1.00 1.17 H new ATOM 0 HB2 LYS A 52 186.125 -14.413 1.428 1.00 1.35 H new ATOM 0 HB3 LYS A 52 187.045 -15.862 1.780 1.00 1.35 H new ATOM 0 HG2 LYS A 52 184.759 -15.806 3.528 1.00 1.98 H new ATOM 0 HG3 LYS A 52 184.210 -15.478 1.896 1.00 1.98 H new ATOM 0 HD2 LYS A 52 184.158 -17.815 1.968 1.00 2.54 H new ATOM 0 HD3 LYS A 52 185.707 -17.507 1.208 1.00 2.54 H new ATOM 0 HE2 LYS A 52 186.925 -18.029 3.159 1.00 3.24 H new ATOM 0 HE3 LYS A 52 185.554 -17.751 4.214 1.00 3.24 H new ATOM 0 HZ1 LYS A 52 186.016 -20.102 3.981 1.00 3.96 H new ATOM 0 HZ2 LYS A 52 184.495 -19.743 3.318 1.00 3.96 H new ATOM 0 HZ3 LYS A 52 185.824 -20.013 2.296 1.00 3.96 H new ATOM 797 N ALA A 53 188.095 -15.320 5.365 1.00 1.29 N ATOM 798 CA ALA A 53 189.075 -16.121 6.085 1.00 1.43 C ATOM 799 C ALA A 53 188.766 -17.609 5.966 1.00 1.43 C ATOM 800 O ALA A 53 187.625 -17.999 5.717 1.00 1.47 O ATOM 801 CB ALA A 53 189.122 -15.706 7.548 1.00 1.63 C ATOM 0 H ALA A 53 187.524 -14.720 5.960 1.00 1.29 H new ATOM 0 HA ALA A 53 190.052 -15.944 5.635 1.00 1.43 H new ATOM 0 HB1 ALA A 53 189.859 -16.313 8.075 1.00 1.63 H new ATOM 0 HB2 ALA A 53 189.400 -14.654 7.619 1.00 1.63 H new ATOM 0 HB3 ALA A 53 188.141 -15.853 8.000 1.00 1.63 H new ATOM 807 N ILE A 54 189.790 -18.436 6.147 1.00 1.54 N ATOM 808 CA ILE A 54 189.631 -19.883 6.062 1.00 1.60 C ATOM 809 C ILE A 54 188.431 -20.351 6.876 1.00 1.64 C ATOM 810 O ILE A 54 187.319 -20.457 6.360 1.00 2.13 O ATOM 811 CB ILE A 54 190.888 -20.616 6.565 1.00 1.80 C ATOM 812 CG1 ILE A 54 190.528 -22.023 7.045 1.00 1.92 C ATOM 813 CG2 ILE A 54 191.553 -19.824 7.680 1.00 2.35 C ATOM 814 CD1 ILE A 54 191.567 -23.066 6.695 1.00 2.66 C ATOM 0 H ILE A 54 190.740 -18.128 6.354 1.00 1.54 H new ATOM 0 HA ILE A 54 189.473 -20.122 5.010 1.00 1.60 H new ATOM 0 HB ILE A 54 191.593 -20.704 5.739 1.00 1.80 H new ATOM 0 HG12 ILE A 54 190.393 -22.006 8.126 1.00 1.92 H new ATOM 0 HG13 ILE A 54 189.572 -22.313 6.609 1.00 1.92 H new ATOM 0 HG21 ILE A 54 192.440 -20.355 8.025 1.00 2.35 H new ATOM 0 HG22 ILE A 54 191.841 -18.841 7.306 1.00 2.35 H new ATOM 0 HG23 ILE A 54 190.855 -19.707 8.509 1.00 2.35 H new ATOM 0 HD11 ILE A 54 191.245 -24.039 7.066 1.00 2.66 H new ATOM 0 HD12 ILE A 54 191.686 -23.112 5.613 1.00 2.66 H new ATOM 0 HD13 ILE A 54 192.519 -22.799 7.154 1.00 2.66 H new ATOM 826 N ILE A 55 188.667 -20.628 8.153 1.00 1.74 N ATOM 827 CA ILE A 55 187.614 -21.083 9.045 1.00 1.93 C ATOM 828 C ILE A 55 187.878 -20.637 10.479 1.00 2.01 C ATOM 829 O ILE A 55 188.899 -20.013 10.768 1.00 2.31 O ATOM 830 CB ILE A 55 187.469 -22.616 9.013 1.00 2.54 C ATOM 831 CG1 ILE A 55 186.038 -23.023 9.367 1.00 3.27 C ATOM 832 CG2 ILE A 55 188.462 -23.262 9.968 1.00 2.91 C ATOM 833 CD1 ILE A 55 185.953 -23.978 10.538 1.00 3.93 C ATOM 0 H ILE A 55 189.583 -20.544 8.593 1.00 1.74 H new ATOM 0 HA ILE A 55 186.686 -20.633 8.692 1.00 1.93 H new ATOM 0 HB ILE A 55 187.686 -22.966 8.004 1.00 2.54 H new ATOM 0 HG12 ILE A 55 185.460 -22.127 9.596 1.00 3.27 H new ATOM 0 HG13 ILE A 55 185.575 -23.487 8.496 1.00 3.27 H new ATOM 0 HG21 ILE A 55 188.347 -24.345 9.934 1.00 2.91 H new ATOM 0 HG22 ILE A 55 189.477 -22.995 9.673 1.00 2.91 H new ATOM 0 HG23 ILE A 55 188.274 -22.909 10.982 1.00 2.91 H new ATOM 0 HD11 ILE A 55 184.909 -24.223 10.732 1.00 3.93 H new ATOM 0 HD12 ILE A 55 186.503 -24.890 10.304 1.00 3.93 H new ATOM 0 HD13 ILE A 55 186.386 -23.510 11.422 1.00 3.93 H new ATOM 845 N SER A 56 186.950 -20.960 11.374 1.00 2.30 N ATOM 846 CA SER A 56 187.082 -20.592 12.778 1.00 2.88 C ATOM 847 C SER A 56 187.400 -19.107 12.922 1.00 2.67 C ATOM 848 O SER A 56 186.532 -18.307 13.270 1.00 3.07 O ATOM 849 CB SER A 56 188.176 -21.427 13.445 1.00 3.61 C ATOM 850 OG SER A 56 189.141 -20.599 14.071 1.00 4.31 O ATOM 0 H SER A 56 186.099 -21.476 11.151 1.00 2.30 H new ATOM 0 HA SER A 56 186.131 -20.792 13.272 1.00 2.88 H new ATOM 0 HB2 SER A 56 187.730 -22.093 14.184 1.00 3.61 H new ATOM 0 HB3 SER A 56 188.662 -22.057 12.700 1.00 3.61 H new ATOM 0 HG SER A 56 189.828 -21.157 14.491 1.00 4.31 H new ATOM 856 N GLU A 57 188.650 -18.747 12.652 1.00 2.29 N ATOM 857 CA GLU A 57 189.084 -17.358 12.751 1.00 2.26 C ATOM 858 C GLU A 57 187.968 -16.409 12.326 1.00 1.75 C ATOM 859 O GLU A 57 187.787 -15.344 12.917 1.00 1.89 O ATOM 860 CB GLU A 57 190.324 -17.126 11.885 1.00 2.59 C ATOM 861 CG GLU A 57 191.127 -15.901 12.288 1.00 3.11 C ATOM 862 CD GLU A 57 192.503 -16.254 12.816 1.00 3.87 C ATOM 863 OE1 GLU A 57 193.247 -16.965 12.108 1.00 4.56 O ATOM 864 OE2 GLU A 57 192.838 -15.819 13.938 1.00 4.23 O ATOM 0 H GLU A 57 189.381 -19.398 12.363 1.00 2.29 H new ATOM 0 HA GLU A 57 189.334 -17.154 13.792 1.00 2.26 H new ATOM 0 HB2 GLU A 57 190.966 -18.005 11.941 1.00 2.59 H new ATOM 0 HB3 GLU A 57 190.016 -17.022 10.845 1.00 2.59 H new ATOM 0 HG2 GLU A 57 191.231 -15.240 11.428 1.00 3.11 H new ATOM 0 HG3 GLU A 57 190.580 -15.347 13.051 1.00 3.11 H new ATOM 871 N ASN A 58 187.224 -16.801 11.297 1.00 1.60 N ATOM 872 CA ASN A 58 186.126 -15.985 10.793 1.00 1.95 C ATOM 873 C ASN A 58 186.644 -14.881 9.877 1.00 1.68 C ATOM 874 O ASN A 58 187.792 -14.451 9.994 1.00 1.63 O ATOM 875 CB ASN A 58 185.342 -15.373 11.955 1.00 2.74 C ATOM 876 CG ASN A 58 183.857 -15.664 11.868 1.00 3.65 C ATOM 877 OD1 ASN A 58 183.026 -14.768 12.020 1.00 4.30 O ATOM 878 ND2 ASN A 58 183.514 -16.923 11.622 1.00 4.20 N ATOM 0 H ASN A 58 187.362 -17.679 10.796 1.00 1.60 H new ATOM 0 HA ASN A 58 185.463 -16.630 10.216 1.00 1.95 H new ATOM 0 HB2 ASN A 58 185.731 -15.761 12.896 1.00 2.74 H new ATOM 0 HB3 ASN A 58 185.498 -14.294 11.967 1.00 2.74 H new ATOM 0 HD21 ASN A 58 182.529 -17.179 11.552 1.00 4.20 H new ATOM 0 HD22 ASN A 58 184.235 -17.634 11.503 1.00 4.20 H new ATOM 885 N PRO A 59 185.798 -14.409 8.951 1.00 1.61 N ATOM 886 CA PRO A 59 186.166 -13.349 8.007 1.00 1.48 C ATOM 887 C PRO A 59 186.781 -12.140 8.706 1.00 1.26 C ATOM 888 O PRO A 59 186.501 -11.878 9.875 1.00 1.24 O ATOM 889 CB PRO A 59 184.832 -12.973 7.361 1.00 1.63 C ATOM 890 CG PRO A 59 183.999 -14.203 7.471 1.00 1.79 C ATOM 891 CD PRO A 59 184.413 -14.873 8.753 1.00 1.82 C ATOM 0 HA PRO A 59 186.922 -13.680 7.294 1.00 1.48 H new ATOM 0 HB2 PRO A 59 184.366 -12.132 7.875 1.00 1.63 H new ATOM 0 HB3 PRO A 59 184.965 -12.677 6.321 1.00 1.63 H new ATOM 0 HG2 PRO A 59 182.938 -13.955 7.486 1.00 1.79 H new ATOM 0 HG3 PRO A 59 184.161 -14.861 6.617 1.00 1.79 H new ATOM 0 HD2 PRO A 59 183.770 -14.583 9.584 1.00 1.82 H new ATOM 0 HD3 PRO A 59 184.361 -15.959 8.674 1.00 1.82 H new ATOM 899 N CYS A 60 187.620 -11.408 7.981 1.00 1.22 N ATOM 900 CA CYS A 60 188.276 -10.228 8.533 1.00 1.09 C ATOM 901 C CYS A 60 187.881 -8.972 7.761 1.00 0.98 C ATOM 902 O CYS A 60 188.739 -8.202 7.330 1.00 1.06 O ATOM 903 CB CYS A 60 189.795 -10.402 8.503 1.00 1.25 C ATOM 904 SG CYS A 60 190.483 -11.133 10.007 1.00 1.90 S ATOM 0 H CYS A 60 187.862 -11.611 7.011 1.00 1.22 H new ATOM 0 HA CYS A 60 187.950 -10.114 9.567 1.00 1.09 H new ATOM 0 HB2 CYS A 60 190.062 -11.029 7.652 1.00 1.25 H new ATOM 0 HB3 CYS A 60 190.258 -9.429 8.340 1.00 1.25 H new ATOM 0 HG CYS A 60 191.773 -11.242 9.886 1.00 1.90 H new ATOM 910 N ILE A 61 186.578 -8.772 7.592 1.00 0.86 N ATOM 911 CA ILE A 61 186.071 -7.609 6.874 1.00 0.76 C ATOM 912 C ILE A 61 186.686 -6.322 7.414 1.00 0.72 C ATOM 913 O ILE A 61 187.117 -6.267 8.566 1.00 0.83 O ATOM 914 CB ILE A 61 184.537 -7.512 6.976 1.00 0.82 C ATOM 915 CG1 ILE A 61 184.014 -6.395 6.072 1.00 0.69 C ATOM 916 CG2 ILE A 61 184.115 -7.277 8.418 1.00 1.16 C ATOM 917 CD1 ILE A 61 182.503 -6.331 6.001 1.00 0.66 C ATOM 0 H ILE A 61 185.855 -9.400 7.942 1.00 0.86 H new ATOM 0 HA ILE A 61 186.351 -7.734 5.828 1.00 0.76 H new ATOM 0 HB ILE A 61 184.105 -8.455 6.642 1.00 0.82 H new ATOM 0 HG12 ILE A 61 184.393 -5.439 6.433 1.00 0.69 H new ATOM 0 HG13 ILE A 61 184.411 -6.536 5.067 1.00 0.69 H new ATOM 0 HG21 ILE A 61 183.028 -7.211 8.473 1.00 1.16 H new ATOM 0 HG22 ILE A 61 184.460 -8.105 9.038 1.00 1.16 H new ATOM 0 HG23 ILE A 61 184.554 -6.347 8.779 1.00 1.16 H new ATOM 0 HD11 ILE A 61 182.204 -5.516 5.342 1.00 0.66 H new ATOM 0 HD12 ILE A 61 182.117 -7.273 5.611 1.00 0.66 H new ATOM 0 HD13 ILE A 61 182.099 -6.158 6.998 1.00 0.66 H new ATOM 929 N LYS A 62 186.724 -5.289 6.579 1.00 0.62 N ATOM 930 CA LYS A 62 187.289 -4.007 6.984 1.00 0.62 C ATOM 931 C LYS A 62 186.968 -2.912 5.970 1.00 0.48 C ATOM 932 O LYS A 62 186.520 -3.188 4.856 1.00 0.42 O ATOM 933 CB LYS A 62 188.804 -4.127 7.157 1.00 0.76 C ATOM 934 CG LYS A 62 189.431 -2.935 7.862 1.00 1.23 C ATOM 935 CD LYS A 62 190.874 -3.213 8.251 1.00 1.43 C ATOM 936 CE LYS A 62 191.742 -3.460 7.028 1.00 1.61 C ATOM 937 NZ LYS A 62 191.693 -2.319 6.072 1.00 1.75 N ATOM 0 H LYS A 62 186.372 -5.314 5.622 1.00 0.62 H new ATOM 0 HA LYS A 62 186.837 -3.731 7.937 1.00 0.62 H new ATOM 0 HB2 LYS A 62 189.026 -5.032 7.723 1.00 0.76 H new ATOM 0 HB3 LYS A 62 189.265 -4.243 6.176 1.00 0.76 H new ATOM 0 HG2 LYS A 62 189.391 -2.063 7.210 1.00 1.23 H new ATOM 0 HG3 LYS A 62 188.853 -2.693 8.754 1.00 1.23 H new ATOM 0 HD2 LYS A 62 191.269 -2.368 8.815 1.00 1.43 H new ATOM 0 HD3 LYS A 62 190.914 -4.081 8.908 1.00 1.43 H new ATOM 0 HE2 LYS A 62 192.772 -3.626 7.342 1.00 1.61 H new ATOM 0 HE3 LYS A 62 191.411 -4.369 6.526 1.00 1.61 H new ATOM 0 HZ1 LYS A 62 191.362 -2.656 5.145 1.00 1.75 H new ATOM 0 HZ2 LYS A 62 191.039 -1.594 6.430 1.00 1.75 H new ATOM 0 HZ3 LYS A 62 192.643 -1.909 5.972 1.00 1.75 H new ATOM 951 N HIS A 63 187.204 -1.668 6.371 1.00 0.49 N ATOM 952 CA HIS A 63 186.950 -0.517 5.514 1.00 0.41 C ATOM 953 C HIS A 63 188.048 0.525 5.687 1.00 0.43 C ATOM 954 O HIS A 63 188.794 0.493 6.665 1.00 0.54 O ATOM 955 CB HIS A 63 185.591 0.099 5.850 1.00 0.48 C ATOM 956 CG HIS A 63 184.712 -0.803 6.659 1.00 0.67 C ATOM 957 ND1 HIS A 63 184.232 -0.486 7.911 1.00 1.20 N ATOM 958 CD2 HIS A 63 184.227 -2.038 6.374 1.00 1.56 C ATOM 959 CE1 HIS A 63 183.489 -1.516 8.338 1.00 1.24 C ATOM 960 NE2 HIS A 63 183.454 -2.483 7.442 1.00 1.59 N ATOM 0 H HIS A 63 187.574 -1.430 7.291 1.00 0.49 H new ATOM 0 HA HIS A 63 186.943 -0.851 4.477 1.00 0.41 H new ATOM 0 HB2 HIS A 63 185.747 1.028 6.398 1.00 0.48 H new ATOM 0 HB3 HIS A 63 185.079 0.358 4.923 1.00 0.48 H new ATOM 0 HD1 HIS A 63 184.410 0.379 8.422 1.00 1.20 H new ATOM 0 HD2 HIS A 63 184.412 -2.588 5.463 1.00 1.56 H new ATOM 0 HE1 HIS A 63 182.984 -1.550 9.292 1.00 1.24 H new ATOM 968 N TYR A 64 188.142 1.454 4.742 1.00 0.42 N ATOM 969 CA TYR A 64 189.154 2.504 4.818 1.00 0.46 C ATOM 970 C TYR A 64 188.656 3.805 4.212 1.00 0.47 C ATOM 971 O TYR A 64 187.749 3.813 3.380 1.00 0.46 O ATOM 972 CB TYR A 64 190.445 2.089 4.107 1.00 0.45 C ATOM 973 CG TYR A 64 190.415 0.708 3.499 1.00 0.50 C ATOM 974 CD1 TYR A 64 190.190 -0.416 4.281 1.00 1.18 C ATOM 975 CD2 TYR A 64 190.624 0.530 2.137 1.00 1.04 C ATOM 976 CE1 TYR A 64 190.174 -1.681 3.723 1.00 1.32 C ATOM 977 CE2 TYR A 64 190.607 -0.726 1.572 1.00 1.17 C ATOM 978 CZ TYR A 64 190.383 -1.830 2.367 1.00 0.94 C ATOM 979 OH TYR A 64 190.369 -3.086 1.807 1.00 1.20 O ATOM 0 H TYR A 64 187.537 1.503 3.922 1.00 0.42 H new ATOM 0 HA TYR A 64 189.360 2.659 5.877 1.00 0.46 H new ATOM 0 HB2 TYR A 64 190.659 2.813 3.321 1.00 0.45 H new ATOM 0 HB3 TYR A 64 191.268 2.140 4.820 1.00 0.45 H new ATOM 0 HD1 TYR A 64 190.025 -0.301 5.342 1.00 1.18 H new ATOM 0 HD2 TYR A 64 190.803 1.391 1.511 1.00 1.04 H new ATOM 0 HE1 TYR A 64 189.999 -2.547 4.344 1.00 1.32 H new ATOM 0 HE2 TYR A 64 190.768 -0.846 0.511 1.00 1.17 H new ATOM 0 HH TYR A 64 191.237 -3.517 1.949 1.00 1.20 H new ATOM 989 N HIS A 65 189.275 4.905 4.623 1.00 0.54 N ATOM 990 CA HIS A 65 188.921 6.217 4.111 1.00 0.59 C ATOM 991 C HIS A 65 189.947 6.665 3.079 1.00 0.56 C ATOM 992 O HIS A 65 191.108 6.907 3.408 1.00 0.58 O ATOM 993 CB HIS A 65 188.841 7.238 5.245 1.00 0.72 C ATOM 994 CG HIS A 65 188.146 8.500 4.847 1.00 0.96 C ATOM 995 ND1 HIS A 65 188.632 9.762 5.103 1.00 1.27 N ATOM 996 CD2 HIS A 65 186.979 8.676 4.180 1.00 1.18 C ATOM 997 CE1 HIS A 65 187.764 10.646 4.595 1.00 1.60 C ATOM 998 NE2 HIS A 65 186.742 10.038 4.024 1.00 1.59 N ATOM 0 H HIS A 65 190.027 4.911 5.312 1.00 0.54 H new ATOM 0 HA HIS A 65 187.941 6.150 3.639 1.00 0.59 H new ATOM 0 HB2 HIS A 65 188.317 6.793 6.091 1.00 0.72 H new ATOM 0 HB3 HIS A 65 189.849 7.476 5.584 1.00 0.72 H new ATOM 0 HD1 HIS A 65 189.499 9.984 5.592 1.00 1.27 H new ATOM 0 HD2 HIS A 65 186.335 7.884 3.826 1.00 1.18 H new ATOM 0 HE1 HIS A 65 187.885 11.718 4.646 1.00 1.60 H new ATOM 1006 N ILE A 66 189.517 6.763 1.828 1.00 0.56 N ATOM 1007 CA ILE A 66 190.409 7.170 0.750 1.00 0.57 C ATOM 1008 C ILE A 66 190.919 8.587 0.976 1.00 0.67 C ATOM 1009 O ILE A 66 190.324 9.555 0.505 1.00 0.77 O ATOM 1010 CB ILE A 66 189.714 7.089 -0.620 1.00 0.60 C ATOM 1011 CG1 ILE A 66 188.816 5.849 -0.697 1.00 0.75 C ATOM 1012 CG2 ILE A 66 190.749 7.068 -1.735 1.00 0.65 C ATOM 1013 CD1 ILE A 66 189.173 4.765 0.301 1.00 0.92 C ATOM 0 H ILE A 66 188.560 6.567 1.535 1.00 0.56 H new ATOM 0 HA ILE A 66 191.251 6.478 0.753 1.00 0.57 H new ATOM 0 HB ILE A 66 189.087 7.972 -0.743 1.00 0.60 H new ATOM 0 HG12 ILE A 66 187.782 6.152 -0.534 1.00 0.75 H new ATOM 0 HG13 ILE A 66 188.872 5.434 -1.704 1.00 0.75 H new ATOM 0 HG21 ILE A 66 190.244 7.011 -2.699 1.00 0.65 H new ATOM 0 HG22 ILE A 66 191.348 7.978 -1.693 1.00 0.65 H new ATOM 0 HG23 ILE A 66 191.398 6.201 -1.613 1.00 0.65 H new ATOM 0 HD11 ILE A 66 188.492 3.922 0.182 1.00 0.92 H new ATOM 0 HD12 ILE A 66 190.196 4.432 0.126 1.00 0.92 H new ATOM 0 HD13 ILE A 66 189.088 5.160 1.313 1.00 0.92 H new ATOM 1025 N LYS A 67 192.022 8.699 1.706 1.00 0.70 N ATOM 1026 CA LYS A 67 192.611 9.997 2.007 1.00 0.82 C ATOM 1027 C LYS A 67 192.984 10.746 0.733 1.00 0.83 C ATOM 1028 O LYS A 67 193.587 10.181 -0.179 1.00 0.80 O ATOM 1029 CB LYS A 67 193.845 9.822 2.892 1.00 0.88 C ATOM 1030 CG LYS A 67 193.598 8.951 4.113 1.00 0.94 C ATOM 1031 CD LYS A 67 194.890 8.353 4.644 1.00 1.35 C ATOM 1032 CE LYS A 67 194.626 7.365 5.769 1.00 1.51 C ATOM 1033 NZ LYS A 67 195.882 6.964 6.462 1.00 1.51 N ATOM 0 H LYS A 67 192.527 7.905 2.101 1.00 0.70 H new ATOM 0 HA LYS A 67 191.866 10.588 2.540 1.00 0.82 H new ATOM 0 HB2 LYS A 67 194.648 9.384 2.299 1.00 0.88 H new ATOM 0 HB3 LYS A 67 194.190 10.803 3.219 1.00 0.88 H new ATOM 0 HG2 LYS A 67 193.123 9.545 4.894 1.00 0.94 H new ATOM 0 HG3 LYS A 67 192.905 8.150 3.855 1.00 0.94 H new ATOM 0 HD2 LYS A 67 195.419 7.851 3.834 1.00 1.35 H new ATOM 0 HD3 LYS A 67 195.540 9.150 5.004 1.00 1.35 H new ATOM 0 HE2 LYS A 67 193.940 7.810 6.490 1.00 1.51 H new ATOM 0 HE3 LYS A 67 194.135 6.479 5.366 1.00 1.51 H new ATOM 0 HZ1 LYS A 67 195.659 6.290 7.222 1.00 1.51 H new ATOM 0 HZ2 LYS A 67 196.527 6.516 5.780 1.00 1.51 H new ATOM 0 HZ3 LYS A 67 196.338 7.806 6.868 1.00 1.51 H new ATOM 1047 N GLU A 68 192.625 12.024 0.680 1.00 0.93 N ATOM 1048 CA GLU A 68 192.926 12.856 -0.478 1.00 0.99 C ATOM 1049 C GLU A 68 194.096 13.785 -0.176 1.00 1.07 C ATOM 1050 O GLU A 68 194.321 14.151 0.977 1.00 1.15 O ATOM 1051 CB GLU A 68 191.699 13.675 -0.881 1.00 1.14 C ATOM 1052 CG GLU A 68 190.877 13.039 -1.990 1.00 1.32 C ATOM 1053 CD GLU A 68 189.412 13.424 -1.922 1.00 1.85 C ATOM 1054 OE1 GLU A 68 189.078 14.355 -1.160 1.00 2.22 O ATOM 1055 OE2 GLU A 68 188.599 12.794 -2.631 1.00 2.63 O ATOM 0 H GLU A 68 192.125 12.506 1.427 1.00 0.93 H new ATOM 0 HA GLU A 68 193.200 12.203 -1.307 1.00 0.99 H new ATOM 0 HB2 GLU A 68 191.064 13.817 -0.006 1.00 1.14 H new ATOM 0 HB3 GLU A 68 192.023 14.664 -1.203 1.00 1.14 H new ATOM 0 HG2 GLU A 68 191.283 13.338 -2.956 1.00 1.32 H new ATOM 0 HG3 GLU A 68 190.967 11.955 -1.928 1.00 1.32 H new ATOM 1062 N THR A 69 194.844 14.164 -1.209 1.00 1.12 N ATOM 1063 CA THR A 69 195.986 15.045 -1.020 1.00 1.27 C ATOM 1064 C THR A 69 195.891 16.289 -1.904 1.00 1.49 C ATOM 1065 O THR A 69 194.801 16.807 -2.146 1.00 1.76 O ATOM 1066 CB THR A 69 197.291 14.286 -1.288 1.00 1.18 C ATOM 1067 OG1 THR A 69 198.011 14.869 -2.359 1.00 1.40 O ATOM 1068 CG2 THR A 69 197.073 12.827 -1.624 1.00 1.28 C ATOM 0 H THR A 69 194.680 13.877 -2.174 1.00 1.12 H new ATOM 0 HA THR A 69 195.981 15.382 0.017 1.00 1.27 H new ATOM 0 HB THR A 69 197.855 14.353 -0.357 1.00 1.18 H new ATOM 0 HG1 THR A 69 198.941 15.016 -2.086 1.00 1.40 H new ATOM 0 HG21 THR A 69 198.035 12.347 -1.803 1.00 1.28 H new ATOM 0 HG22 THR A 69 196.570 12.333 -0.793 1.00 1.28 H new ATOM 0 HG23 THR A 69 196.457 12.748 -2.519 1.00 1.28 H new ATOM 1076 N ASN A 70 197.039 16.757 -2.388 1.00 1.50 N ATOM 1077 CA ASN A 70 197.094 17.932 -3.251 1.00 1.74 C ATOM 1078 C ASN A 70 198.218 17.787 -4.273 1.00 1.73 C ATOM 1079 O ASN A 70 199.128 18.613 -4.338 1.00 2.03 O ATOM 1080 CB ASN A 70 197.304 19.197 -2.416 1.00 1.97 C ATOM 1081 CG ASN A 70 198.768 19.460 -2.124 1.00 2.40 C ATOM 1082 OD1 ASN A 70 199.203 20.609 -2.058 1.00 3.01 O ATOM 1083 ND2 ASN A 70 199.538 18.392 -1.946 1.00 2.81 N ATOM 0 H ASN A 70 197.948 16.337 -2.195 1.00 1.50 H new ATOM 0 HA ASN A 70 196.145 18.016 -3.781 1.00 1.74 H new ATOM 0 HB2 ASN A 70 196.882 20.052 -2.944 1.00 1.97 H new ATOM 0 HB3 ASN A 70 196.760 19.103 -1.476 1.00 1.97 H new ATOM 0 HD21 ASN A 70 200.531 18.507 -1.746 1.00 2.81 H new ATOM 0 HD22 ASN A 70 199.136 17.457 -2.010 1.00 2.81 H new ATOM 1090 N ASP A 71 198.147 16.721 -5.063 1.00 1.73 N ATOM 1091 CA ASP A 71 199.147 16.440 -6.076 1.00 1.96 C ATOM 1092 C ASP A 71 198.513 16.299 -7.455 1.00 1.97 C ATOM 1093 O ASP A 71 197.582 17.024 -7.804 1.00 2.43 O ATOM 1094 CB ASP A 71 199.904 15.156 -5.728 1.00 2.58 C ATOM 1095 CG ASP A 71 201.379 15.242 -6.066 1.00 3.45 C ATOM 1096 OD1 ASP A 71 201.704 15.470 -7.250 1.00 4.01 O ATOM 1097 OD2 ASP A 71 202.209 15.079 -5.147 1.00 4.02 O ATOM 0 H ASP A 71 197.396 16.032 -5.016 1.00 1.73 H new ATOM 0 HA ASP A 71 199.842 17.279 -6.100 1.00 1.96 H new ATOM 0 HB2 ASP A 71 199.790 14.948 -4.664 1.00 2.58 H new ATOM 0 HB3 ASP A 71 199.459 14.319 -6.266 1.00 2.58 H new ATOM 1102 N SER A 72 199.031 15.353 -8.232 1.00 2.36 N ATOM 1103 CA SER A 72 198.532 15.095 -9.576 1.00 3.00 C ATOM 1104 C SER A 72 199.255 13.901 -10.189 1.00 3.04 C ATOM 1105 O SER A 72 200.439 13.982 -10.517 1.00 3.45 O ATOM 1106 CB SER A 72 198.716 16.331 -10.460 1.00 3.95 C ATOM 1107 OG SER A 72 200.067 16.471 -10.866 1.00 4.54 O ATOM 0 H SER A 72 199.803 14.748 -7.950 1.00 2.36 H new ATOM 0 HA SER A 72 197.468 14.866 -9.511 1.00 3.00 H new ATOM 0 HB2 SER A 72 198.075 16.252 -11.338 1.00 3.95 H new ATOM 0 HB3 SER A 72 198.402 17.222 -9.915 1.00 3.95 H new ATOM 0 HG SER A 72 200.552 15.640 -10.680 1.00 4.54 H new ATOM 1113 N PRO A 73 198.551 12.770 -10.346 1.00 2.93 N ATOM 1114 CA PRO A 73 197.145 12.649 -9.964 1.00 2.74 C ATOM 1115 C PRO A 73 196.960 12.403 -8.469 1.00 2.20 C ATOM 1116 O PRO A 73 196.291 13.177 -7.787 1.00 2.20 O ATOM 1117 CB PRO A 73 196.679 11.439 -10.768 1.00 3.40 C ATOM 1118 CG PRO A 73 197.894 10.585 -10.905 1.00 3.67 C ATOM 1119 CD PRO A 73 199.079 11.519 -10.916 1.00 3.37 C ATOM 0 HA PRO A 73 196.584 13.562 -10.164 1.00 2.74 H new ATOM 0 HB2 PRO A 73 195.877 10.908 -10.255 1.00 3.40 H new ATOM 0 HB3 PRO A 73 196.292 11.736 -11.743 1.00 3.40 H new ATOM 0 HG2 PRO A 73 197.966 9.878 -10.079 1.00 3.67 H new ATOM 0 HG3 PRO A 73 197.854 9.999 -11.823 1.00 3.67 H new ATOM 0 HD2 PRO A 73 199.903 11.126 -10.321 1.00 3.37 H new ATOM 0 HD3 PRO A 73 199.459 11.670 -11.926 1.00 3.37 H new ATOM 1127 N LYS A 74 197.552 11.321 -7.969 1.00 2.15 N ATOM 1128 CA LYS A 74 197.447 10.975 -6.553 1.00 2.00 C ATOM 1129 C LYS A 74 196.561 11.973 -5.815 1.00 1.25 C ATOM 1130 O LYS A 74 197.044 12.971 -5.288 1.00 1.49 O ATOM 1131 CB LYS A 74 198.835 10.931 -5.910 1.00 2.70 C ATOM 1132 CG LYS A 74 199.765 12.032 -6.391 1.00 3.03 C ATOM 1133 CD LYS A 74 201.155 11.495 -6.690 1.00 3.58 C ATOM 1134 CE LYS A 74 201.123 10.451 -7.794 1.00 4.03 C ATOM 1135 NZ LYS A 74 201.306 9.073 -7.261 1.00 4.74 N ATOM 0 H LYS A 74 198.109 10.669 -8.522 1.00 2.15 H new ATOM 0 HA LYS A 74 196.991 9.988 -6.479 1.00 2.00 H new ATOM 0 HB2 LYS A 74 198.727 11.005 -4.828 1.00 2.70 H new ATOM 0 HB3 LYS A 74 199.292 9.964 -6.119 1.00 2.70 H new ATOM 0 HG2 LYS A 74 199.351 12.493 -7.288 1.00 3.03 H new ATOM 0 HG3 LYS A 74 199.830 12.812 -5.632 1.00 3.03 H new ATOM 0 HD2 LYS A 74 201.808 12.317 -6.984 1.00 3.58 H new ATOM 0 HD3 LYS A 74 201.579 11.058 -5.786 1.00 3.58 H new ATOM 0 HE2 LYS A 74 200.172 10.512 -8.324 1.00 4.03 H new ATOM 0 HE3 LYS A 74 201.907 10.666 -8.520 1.00 4.03 H new ATOM 0 HZ1 LYS A 74 202.268 8.742 -7.478 1.00 4.74 H new ATOM 0 HZ2 LYS A 74 201.166 9.078 -6.231 1.00 4.74 H new ATOM 0 HZ3 LYS A 74 200.613 8.435 -7.702 1.00 4.74 H new ATOM 1149 N ARG A 75 195.262 11.695 -5.791 1.00 1.14 N ATOM 1150 CA ARG A 75 194.291 12.558 -5.132 1.00 1.18 C ATOM 1151 C ARG A 75 193.664 11.853 -3.936 1.00 1.03 C ATOM 1152 O ARG A 75 193.189 12.502 -3.006 1.00 1.24 O ATOM 1153 CB ARG A 75 193.200 12.974 -6.125 1.00 2.06 C ATOM 1154 CG ARG A 75 193.223 14.448 -6.499 1.00 2.56 C ATOM 1155 CD ARG A 75 194.566 14.850 -7.081 1.00 2.88 C ATOM 1156 NE ARG A 75 195.651 14.541 -6.162 1.00 3.48 N ATOM 1157 CZ ARG A 75 195.742 15.064 -4.948 1.00 4.37 C ATOM 1158 NH1 ARG A 75 194.864 15.977 -4.555 1.00 4.64 N ATOM 1159 NH2 ARG A 75 196.714 14.679 -4.133 1.00 5.23 N ATOM 0 H ARG A 75 194.854 10.868 -6.227 1.00 1.14 H new ATOM 0 HA ARG A 75 194.809 13.448 -4.774 1.00 1.18 H new ATOM 0 HB2 ARG A 75 193.305 12.379 -7.032 1.00 2.06 H new ATOM 0 HB3 ARG A 75 192.226 12.735 -5.698 1.00 2.06 H new ATOM 0 HG2 ARG A 75 192.435 14.654 -7.223 1.00 2.56 H new ATOM 0 HG3 ARG A 75 193.011 15.052 -5.617 1.00 2.56 H new ATOM 0 HD2 ARG A 75 194.726 14.330 -8.025 1.00 2.88 H new ATOM 0 HD3 ARG A 75 194.565 15.918 -7.301 1.00 2.88 H new ATOM 0 HE ARG A 75 196.376 13.891 -6.467 1.00 3.48 H new ATOM 0 HH11 ARG A 75 194.121 16.275 -5.187 1.00 4.64 H new ATOM 0 HH12 ARG A 75 194.932 16.381 -3.621 1.00 4.64 H new ATOM 0 HH21 ARG A 75 197.391 13.981 -4.441 1.00 5.23 H new ATOM 0 HH22 ARG A 75 196.785 15.081 -3.198 1.00 5.23 H new ATOM 1173 N TYR A 76 193.672 10.522 -3.964 1.00 0.88 N ATOM 1174 CA TYR A 76 193.109 9.729 -2.877 1.00 0.83 C ATOM 1175 C TYR A 76 194.052 8.608 -2.470 1.00 0.72 C ATOM 1176 O TYR A 76 194.773 8.054 -3.297 1.00 0.73 O ATOM 1177 CB TYR A 76 191.760 9.126 -3.265 1.00 1.00 C ATOM 1178 CG TYR A 76 191.045 9.866 -4.363 1.00 0.92 C ATOM 1179 CD1 TYR A 76 191.039 11.250 -4.401 1.00 1.44 C ATOM 1180 CD2 TYR A 76 190.372 9.176 -5.358 1.00 1.25 C ATOM 1181 CE1 TYR A 76 190.382 11.932 -5.405 1.00 1.52 C ATOM 1182 CE2 TYR A 76 189.711 9.845 -6.368 1.00 1.38 C ATOM 1183 CZ TYR A 76 189.719 11.225 -6.389 1.00 1.18 C ATOM 1184 OH TYR A 76 189.062 11.899 -7.392 1.00 1.44 O ATOM 0 H TYR A 76 194.063 9.971 -4.728 1.00 0.88 H new ATOM 0 HA TYR A 76 192.967 10.406 -2.035 1.00 0.83 H new ATOM 0 HB2 TYR A 76 191.913 8.093 -3.578 1.00 1.00 H new ATOM 0 HB3 TYR A 76 191.120 9.100 -2.383 1.00 1.00 H new ATOM 0 HD1 TYR A 76 191.557 11.805 -3.633 1.00 1.44 H new ATOM 0 HD2 TYR A 76 190.364 8.096 -5.343 1.00 1.25 H new ATOM 0 HE1 TYR A 76 190.386 13.012 -5.421 1.00 1.52 H new ATOM 0 HE2 TYR A 76 189.191 9.293 -7.137 1.00 1.38 H new ATOM 0 HH TYR A 76 189.717 12.300 -8.000 1.00 1.44 H new ATOM 1194 N TYR A 77 194.025 8.268 -1.191 1.00 0.69 N ATOM 1195 CA TYR A 77 194.863 7.199 -0.670 1.00 0.64 C ATOM 1196 C TYR A 77 194.217 6.539 0.542 1.00 0.62 C ATOM 1197 O TYR A 77 193.699 7.216 1.435 1.00 0.73 O ATOM 1198 CB TYR A 77 196.255 7.725 -0.305 1.00 0.81 C ATOM 1199 CG TYR A 77 196.256 8.780 0.777 1.00 0.71 C ATOM 1200 CD1 TYR A 77 195.875 10.086 0.497 1.00 1.26 C ATOM 1201 CD2 TYR A 77 196.649 8.473 2.074 1.00 1.29 C ATOM 1202 CE1 TYR A 77 195.883 11.057 1.480 1.00 1.38 C ATOM 1203 CE2 TYR A 77 196.662 9.439 3.062 1.00 1.42 C ATOM 1204 CZ TYR A 77 196.278 10.729 2.760 1.00 1.08 C ATOM 1205 OH TYR A 77 196.290 11.694 3.741 1.00 1.40 O ATOM 0 H TYR A 77 193.431 8.717 -0.494 1.00 0.69 H new ATOM 0 HA TYR A 77 194.969 6.450 -1.455 1.00 0.64 H new ATOM 0 HB2 TYR A 77 196.874 6.888 0.019 1.00 0.81 H new ATOM 0 HB3 TYR A 77 196.721 8.138 -1.200 1.00 0.81 H new ATOM 0 HD1 TYR A 77 195.568 10.347 -0.505 1.00 1.26 H new ATOM 0 HD2 TYR A 77 196.949 7.464 2.314 1.00 1.29 H new ATOM 0 HE1 TYR A 77 195.581 12.068 1.247 1.00 1.38 H new ATOM 0 HE2 TYR A 77 196.971 9.185 4.065 1.00 1.42 H new ATOM 0 HH TYR A 77 196.592 11.299 4.585 1.00 1.40 H new ATOM 1215 N VAL A 78 194.252 5.212 0.562 1.00 0.56 N ATOM 1216 CA VAL A 78 193.679 4.446 1.658 1.00 0.60 C ATOM 1217 C VAL A 78 194.779 3.915 2.568 1.00 0.62 C ATOM 1218 O VAL A 78 194.539 3.070 3.429 1.00 0.65 O ATOM 1219 CB VAL A 78 192.835 3.265 1.138 1.00 0.60 C ATOM 1220 CG1 VAL A 78 191.579 3.765 0.440 1.00 1.20 C ATOM 1221 CG2 VAL A 78 193.659 2.394 0.203 1.00 0.99 C ATOM 0 H VAL A 78 194.673 4.644 -0.173 1.00 0.56 H new ATOM 0 HA VAL A 78 193.030 5.117 2.221 1.00 0.60 H new ATOM 0 HB VAL A 78 192.529 2.660 1.992 1.00 0.60 H new ATOM 0 HG11 VAL A 78 190.999 2.915 0.081 1.00 1.20 H new ATOM 0 HG12 VAL A 78 190.979 4.344 1.142 1.00 1.20 H new ATOM 0 HG13 VAL A 78 191.858 4.396 -0.404 1.00 1.20 H new ATOM 0 HG21 VAL A 78 193.048 1.565 -0.155 1.00 0.99 H new ATOM 0 HG22 VAL A 78 193.996 2.989 -0.646 1.00 0.99 H new ATOM 0 HG23 VAL A 78 194.524 2.003 0.738 1.00 0.99 H new ATOM 1231 N ALA A 79 195.989 4.426 2.364 1.00 0.65 N ATOM 1232 CA ALA A 79 197.144 4.023 3.155 1.00 0.70 C ATOM 1233 C ALA A 79 198.071 5.211 3.383 1.00 0.73 C ATOM 1234 O ALA A 79 197.610 6.337 3.556 1.00 0.74 O ATOM 1235 CB ALA A 79 197.880 2.881 2.468 1.00 0.66 C ATOM 0 H ALA A 79 196.195 5.126 1.651 1.00 0.65 H new ATOM 0 HA ALA A 79 196.800 3.671 4.127 1.00 0.70 H new ATOM 0 HB1 ALA A 79 198.741 2.589 3.069 1.00 0.66 H new ATOM 0 HB2 ALA A 79 197.209 2.029 2.358 1.00 0.66 H new ATOM 0 HB3 ALA A 79 198.218 3.206 1.484 1.00 0.66 H new ATOM 1241 N GLU A 80 199.374 4.965 3.377 1.00 0.82 N ATOM 1242 CA GLU A 80 200.339 6.035 3.575 1.00 0.88 C ATOM 1243 C GLU A 80 201.375 6.032 2.468 1.00 0.86 C ATOM 1244 O GLU A 80 202.573 5.876 2.708 1.00 1.16 O ATOM 1245 CB GLU A 80 201.008 5.917 4.942 1.00 1.02 C ATOM 1246 CG GLU A 80 200.451 4.787 5.793 1.00 1.52 C ATOM 1247 CD GLU A 80 200.458 5.113 7.273 1.00 2.08 C ATOM 1248 OE1 GLU A 80 201.557 5.302 7.834 1.00 2.56 O ATOM 1249 OE2 GLU A 80 199.363 5.180 7.871 1.00 2.80 O ATOM 0 H GLU A 80 199.784 4.041 3.238 1.00 0.82 H new ATOM 0 HA GLU A 80 199.805 6.985 3.541 1.00 0.88 H new ATOM 0 HB2 GLU A 80 202.078 5.763 4.802 1.00 1.02 H new ATOM 0 HB3 GLU A 80 200.889 6.858 5.479 1.00 1.02 H new ATOM 0 HG2 GLU A 80 199.431 4.569 5.478 1.00 1.52 H new ATOM 0 HG3 GLU A 80 201.038 3.885 5.621 1.00 1.52 H new ATOM 1256 N LYS A 81 200.887 6.205 1.253 1.00 0.73 N ATOM 1257 CA LYS A 81 201.733 6.228 0.072 1.00 0.74 C ATOM 1258 C LYS A 81 200.898 5.889 -1.153 1.00 0.70 C ATOM 1259 O LYS A 81 201.243 6.247 -2.280 1.00 0.94 O ATOM 1260 CB LYS A 81 202.894 5.242 0.229 1.00 0.79 C ATOM 1261 CG LYS A 81 203.450 4.735 -1.089 1.00 1.27 C ATOM 1262 CD LYS A 81 202.891 3.367 -1.431 1.00 1.19 C ATOM 1263 CE LYS A 81 201.436 3.456 -1.850 1.00 1.68 C ATOM 1264 NZ LYS A 81 201.019 2.275 -2.654 1.00 2.32 N ATOM 0 H LYS A 81 199.894 6.333 1.056 1.00 0.73 H new ATOM 0 HA LYS A 81 202.155 7.225 -0.052 1.00 0.74 H new ATOM 0 HB2 LYS A 81 203.695 5.725 0.789 1.00 0.79 H new ATOM 0 HB3 LYS A 81 202.558 4.391 0.822 1.00 0.79 H new ATOM 0 HG2 LYS A 81 203.206 5.439 -1.884 1.00 1.27 H new ATOM 0 HG3 LYS A 81 204.537 4.682 -1.032 1.00 1.27 H new ATOM 0 HD2 LYS A 81 203.477 2.923 -2.236 1.00 1.19 H new ATOM 0 HD3 LYS A 81 202.984 2.708 -0.568 1.00 1.19 H new ATOM 0 HE2 LYS A 81 200.807 3.533 -0.963 1.00 1.68 H new ATOM 0 HE3 LYS A 81 201.280 4.365 -2.431 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 200.668 2.592 -3.580 1.00 2.32 H new ATOM 0 HZ2 LYS A 81 201.833 1.643 -2.790 1.00 2.32 H new ATOM 0 HZ3 LYS A 81 200.264 1.764 -2.154 1.00 2.32 H new ATOM 1278 N TYR A 82 199.778 5.212 -0.910 1.00 0.61 N ATOM 1279 CA TYR A 82 198.857 4.830 -1.972 1.00 0.62 C ATOM 1280 C TYR A 82 197.906 5.982 -2.270 1.00 0.60 C ATOM 1281 O TYR A 82 196.768 5.990 -1.803 1.00 0.64 O ATOM 1282 CB TYR A 82 198.043 3.592 -1.571 1.00 0.71 C ATOM 1283 CG TYR A 82 198.843 2.504 -0.884 1.00 0.68 C ATOM 1284 CD1 TYR A 82 199.402 2.707 0.372 1.00 1.27 C ATOM 1285 CD2 TYR A 82 199.030 1.268 -1.491 1.00 1.45 C ATOM 1286 CE1 TYR A 82 200.124 1.711 1.002 1.00 1.28 C ATOM 1287 CE2 TYR A 82 199.751 0.268 -0.868 1.00 1.55 C ATOM 1288 CZ TYR A 82 200.296 0.494 0.378 1.00 0.88 C ATOM 1289 OH TYR A 82 201.014 -0.500 1.002 1.00 1.05 O ATOM 0 H TYR A 82 199.487 4.916 0.022 1.00 0.61 H new ATOM 0 HA TYR A 82 199.441 4.593 -2.861 1.00 0.62 H new ATOM 0 HB2 TYR A 82 197.236 3.904 -0.909 1.00 0.71 H new ATOM 0 HB3 TYR A 82 197.579 3.174 -2.464 1.00 0.71 H new ATOM 0 HD1 TYR A 82 199.270 3.659 0.864 1.00 1.27 H new ATOM 0 HD2 TYR A 82 198.604 1.086 -2.467 1.00 1.45 H new ATOM 0 HE1 TYR A 82 200.551 1.885 1.978 1.00 1.28 H new ATOM 0 HE2 TYR A 82 199.887 -0.686 -1.355 1.00 1.55 H new ATOM 0 HH TYR A 82 201.040 -1.294 0.428 1.00 1.05 H new ATOM 1299 N VAL A 83 198.373 6.954 -3.043 1.00 0.64 N ATOM 1300 CA VAL A 83 197.561 8.104 -3.389 1.00 0.71 C ATOM 1301 C VAL A 83 197.244 8.101 -4.872 1.00 0.78 C ATOM 1302 O VAL A 83 198.138 7.999 -5.712 1.00 0.89 O ATOM 1303 CB VAL A 83 198.261 9.423 -3.014 1.00 0.81 C ATOM 1304 CG1 VAL A 83 197.254 10.561 -2.947 1.00 1.43 C ATOM 1305 CG2 VAL A 83 198.998 9.275 -1.689 1.00 1.12 C ATOM 0 H VAL A 83 199.312 6.965 -3.441 1.00 0.64 H new ATOM 0 HA VAL A 83 196.635 8.033 -2.819 1.00 0.71 H new ATOM 0 HB VAL A 83 198.991 9.660 -3.787 1.00 0.81 H new ATOM 0 HG11 VAL A 83 197.767 11.485 -2.681 1.00 1.43 H new ATOM 0 HG12 VAL A 83 196.774 10.679 -3.918 1.00 1.43 H new ATOM 0 HG13 VAL A 83 196.499 10.335 -2.194 1.00 1.43 H new ATOM 0 HG21 VAL A 83 199.488 10.216 -1.438 1.00 1.12 H new ATOM 0 HG22 VAL A 83 198.287 9.015 -0.904 1.00 1.12 H new ATOM 0 HG23 VAL A 83 199.747 8.488 -1.775 1.00 1.12 H new ATOM 1315 N PHE A 84 195.965 8.200 -5.186 1.00 0.75 N ATOM 1316 CA PHE A 84 195.523 8.196 -6.569 1.00 0.84 C ATOM 1317 C PHE A 84 194.302 9.092 -6.751 1.00 0.88 C ATOM 1318 O PHE A 84 193.559 9.341 -5.804 1.00 0.87 O ATOM 1319 CB PHE A 84 195.204 6.769 -7.012 1.00 0.81 C ATOM 1320 CG PHE A 84 195.984 5.722 -6.269 1.00 0.77 C ATOM 1321 CD1 PHE A 84 195.696 5.435 -4.944 1.00 1.29 C ATOM 1322 CD2 PHE A 84 197.004 5.024 -6.895 1.00 1.53 C ATOM 1323 CE1 PHE A 84 196.411 4.471 -4.258 1.00 1.26 C ATOM 1324 CE2 PHE A 84 197.723 4.060 -6.215 1.00 1.60 C ATOM 1325 CZ PHE A 84 197.426 3.783 -4.894 1.00 0.84 C ATOM 0 H PHE A 84 195.213 8.284 -4.502 1.00 0.75 H new ATOM 0 HA PHE A 84 196.328 8.589 -7.190 1.00 0.84 H new ATOM 0 HB2 PHE A 84 194.139 6.584 -6.873 1.00 0.81 H new ATOM 0 HB3 PHE A 84 195.408 6.674 -8.079 1.00 0.81 H new ATOM 0 HD1 PHE A 84 194.904 5.971 -4.442 1.00 1.29 H new ATOM 0 HD2 PHE A 84 197.240 5.236 -7.927 1.00 1.53 H new ATOM 0 HE1 PHE A 84 196.176 4.256 -3.226 1.00 1.26 H new ATOM 0 HE2 PHE A 84 198.516 3.524 -6.715 1.00 1.60 H new ATOM 0 HZ PHE A 84 197.986 3.030 -4.360 1.00 0.84 H new ATOM 1335 N ASP A 85 194.097 9.573 -7.970 1.00 1.01 N ATOM 1336 CA ASP A 85 192.973 10.439 -8.272 1.00 1.08 C ATOM 1337 C ASP A 85 191.827 9.626 -8.840 1.00 0.98 C ATOM 1338 O ASP A 85 191.086 10.086 -9.709 1.00 1.06 O ATOM 1339 CB ASP A 85 193.385 11.533 -9.258 1.00 1.28 C ATOM 1340 CG ASP A 85 192.205 12.359 -9.731 1.00 1.96 C ATOM 1341 OD1 ASP A 85 191.497 12.928 -8.873 1.00 2.45 O ATOM 1342 OD2 ASP A 85 191.988 12.436 -10.958 1.00 2.68 O ATOM 0 H ASP A 85 194.701 9.374 -8.768 1.00 1.01 H new ATOM 0 HA ASP A 85 192.645 10.915 -7.348 1.00 1.08 H new ATOM 0 HB2 ASP A 85 194.117 12.188 -8.785 1.00 1.28 H new ATOM 0 HB3 ASP A 85 193.874 11.077 -10.119 1.00 1.28 H new ATOM 1347 N SER A 86 191.695 8.411 -8.337 1.00 0.85 N ATOM 1348 CA SER A 86 190.646 7.512 -8.781 1.00 0.79 C ATOM 1349 C SER A 86 190.392 6.427 -7.746 1.00 0.70 C ATOM 1350 O SER A 86 190.826 5.281 -7.902 1.00 0.67 O ATOM 1351 CB SER A 86 191.012 6.883 -10.127 1.00 0.86 C ATOM 1352 OG SER A 86 190.731 7.768 -11.197 1.00 1.43 O ATOM 0 H SER A 86 192.305 8.024 -7.617 1.00 0.85 H new ATOM 0 HA SER A 86 189.732 8.093 -8.904 1.00 0.79 H new ATOM 0 HB2 SER A 86 192.071 6.623 -10.135 1.00 0.86 H new ATOM 0 HB3 SER A 86 190.455 5.956 -10.262 1.00 0.86 H new ATOM 0 HG SER A 86 190.721 8.690 -10.865 1.00 1.43 H new ATOM 1358 N ILE A 87 189.684 6.789 -6.688 1.00 0.70 N ATOM 1359 CA ILE A 87 189.377 5.839 -5.640 1.00 0.64 C ATOM 1360 C ILE A 87 189.233 4.447 -6.244 1.00 0.62 C ATOM 1361 O ILE A 87 189.856 3.490 -5.786 1.00 0.57 O ATOM 1362 CB ILE A 87 188.094 6.234 -4.886 1.00 0.69 C ATOM 1363 CG1 ILE A 87 188.410 6.554 -3.426 1.00 1.26 C ATOM 1364 CG2 ILE A 87 187.055 5.136 -4.976 1.00 0.94 C ATOM 1365 CD1 ILE A 87 188.275 8.024 -3.095 1.00 0.96 C ATOM 0 H ILE A 87 189.315 7.728 -6.536 1.00 0.70 H new ATOM 0 HA ILE A 87 190.195 5.839 -4.919 1.00 0.64 H new ATOM 0 HB ILE A 87 187.684 7.128 -5.357 1.00 0.69 H new ATOM 0 HG12 ILE A 87 187.743 5.981 -2.783 1.00 1.26 H new ATOM 0 HG13 ILE A 87 189.426 6.230 -3.201 1.00 1.26 H new ATOM 0 HG21 ILE A 87 186.158 5.439 -4.436 1.00 0.94 H new ATOM 0 HG22 ILE A 87 186.805 4.956 -6.022 1.00 0.94 H new ATOM 0 HG23 ILE A 87 187.453 4.222 -4.535 1.00 0.94 H new ATOM 0 HD11 ILE A 87 188.513 8.184 -2.043 1.00 0.96 H new ATOM 0 HD12 ILE A 87 188.962 8.601 -3.714 1.00 0.96 H new ATOM 0 HD13 ILE A 87 187.253 8.348 -3.289 1.00 0.96 H new ATOM 1377 N PRO A 88 188.437 4.321 -7.315 1.00 0.69 N ATOM 1378 CA PRO A 88 188.255 3.044 -7.999 1.00 0.73 C ATOM 1379 C PRO A 88 189.601 2.490 -8.442 1.00 0.73 C ATOM 1380 O PRO A 88 189.948 1.346 -8.138 1.00 0.72 O ATOM 1381 CB PRO A 88 187.381 3.390 -9.206 1.00 0.83 C ATOM 1382 CG PRO A 88 186.722 4.680 -8.849 1.00 0.87 C ATOM 1383 CD PRO A 88 187.689 5.411 -7.960 1.00 0.78 C ATOM 0 HA PRO A 88 187.802 2.281 -7.366 1.00 0.73 H new ATOM 0 HB2 PRO A 88 187.980 3.490 -10.111 1.00 0.83 H new ATOM 0 HB3 PRO A 88 186.644 2.610 -9.396 1.00 0.83 H new ATOM 0 HG2 PRO A 88 186.497 5.263 -9.742 1.00 0.87 H new ATOM 0 HG3 PRO A 88 185.776 4.505 -8.336 1.00 0.87 H new ATOM 0 HD2 PRO A 88 188.345 6.067 -8.532 1.00 0.78 H new ATOM 0 HD3 PRO A 88 187.173 6.034 -7.229 1.00 0.78 H new ATOM 1391 N LEU A 89 190.381 3.326 -9.123 1.00 0.78 N ATOM 1392 CA LEU A 89 191.708 2.920 -9.550 1.00 0.81 C ATOM 1393 C LEU A 89 192.491 2.545 -8.318 1.00 0.71 C ATOM 1394 O LEU A 89 193.103 1.477 -8.241 1.00 0.71 O ATOM 1395 CB LEU A 89 192.411 4.042 -10.319 1.00 0.90 C ATOM 1396 CG LEU A 89 193.668 4.621 -9.660 1.00 0.86 C ATOM 1397 CD1 LEU A 89 193.291 5.584 -8.546 1.00 1.10 C ATOM 1398 CD2 LEU A 89 194.567 3.512 -9.131 1.00 1.30 C ATOM 0 H LEU A 89 190.118 4.276 -9.386 1.00 0.78 H new ATOM 0 HA LEU A 89 191.636 2.070 -10.228 1.00 0.81 H new ATOM 0 HB2 LEU A 89 192.682 3.665 -11.305 1.00 0.90 H new ATOM 0 HB3 LEU A 89 191.699 4.853 -10.472 1.00 0.90 H new ATOM 0 HG LEU A 89 194.225 5.172 -10.418 1.00 0.86 H new ATOM 0 HD11 LEU A 89 194.196 5.985 -8.090 1.00 1.10 H new ATOM 0 HD12 LEU A 89 192.699 6.402 -8.957 1.00 1.10 H new ATOM 0 HD13 LEU A 89 192.707 5.057 -7.791 1.00 1.10 H new ATOM 0 HD21 LEU A 89 195.451 3.950 -8.669 1.00 1.30 H new ATOM 0 HD22 LEU A 89 194.023 2.925 -8.391 1.00 1.30 H new ATOM 0 HD23 LEU A 89 194.871 2.866 -9.955 1.00 1.30 H new ATOM 1410 N LEU A 90 192.413 3.418 -7.327 1.00 0.64 N ATOM 1411 CA LEU A 90 193.062 3.166 -6.058 1.00 0.56 C ATOM 1412 C LEU A 90 192.589 1.802 -5.582 1.00 0.50 C ATOM 1413 O LEU A 90 193.383 0.944 -5.167 1.00 0.48 O ATOM 1414 CB LEU A 90 192.711 4.273 -5.059 1.00 0.57 C ATOM 1415 CG LEU A 90 192.235 3.805 -3.686 1.00 0.50 C ATOM 1416 CD1 LEU A 90 192.647 4.809 -2.621 1.00 0.62 C ATOM 1417 CD2 LEU A 90 190.729 3.613 -3.682 1.00 0.80 C ATOM 0 H LEU A 90 191.908 4.303 -7.379 1.00 0.64 H new ATOM 0 HA LEU A 90 194.148 3.167 -6.155 1.00 0.56 H new ATOM 0 HB2 LEU A 90 193.589 4.904 -4.922 1.00 0.57 H new ATOM 0 HB3 LEU A 90 191.934 4.899 -5.498 1.00 0.57 H new ATOM 0 HG LEU A 90 192.702 2.846 -3.462 1.00 0.50 H new ATOM 0 HD11 LEU A 90 192.303 4.466 -1.645 1.00 0.62 H new ATOM 0 HD12 LEU A 90 193.733 4.903 -2.610 1.00 0.62 H new ATOM 0 HD13 LEU A 90 192.201 5.778 -2.843 1.00 0.62 H new ATOM 0 HD21 LEU A 90 190.407 3.279 -2.695 1.00 0.80 H new ATOM 0 HD22 LEU A 90 190.241 4.558 -3.922 1.00 0.80 H new ATOM 0 HD23 LEU A 90 190.456 2.864 -4.425 1.00 0.80 H new ATOM 1429 N ILE A 91 191.282 1.586 -5.722 1.00 0.51 N ATOM 1430 CA ILE A 91 190.692 0.308 -5.385 1.00 0.51 C ATOM 1431 C ILE A 91 191.353 -0.757 -6.238 1.00 0.57 C ATOM 1432 O ILE A 91 191.772 -1.803 -5.742 1.00 0.57 O ATOM 1433 CB ILE A 91 189.178 0.268 -5.658 1.00 0.57 C ATOM 1434 CG1 ILE A 91 188.396 1.024 -4.585 1.00 0.47 C ATOM 1435 CG2 ILE A 91 188.719 -1.174 -5.727 1.00 0.73 C ATOM 1436 CD1 ILE A 91 188.959 0.860 -3.195 1.00 0.38 C ATOM 0 H ILE A 91 190.620 2.282 -6.066 1.00 0.51 H new ATOM 0 HA ILE A 91 190.846 0.139 -4.319 1.00 0.51 H new ATOM 0 HB ILE A 91 188.985 0.761 -6.611 1.00 0.57 H new ATOM 0 HG12 ILE A 91 188.381 2.084 -4.838 1.00 0.47 H new ATOM 0 HG13 ILE A 91 187.362 0.680 -4.591 1.00 0.47 H new ATOM 0 HG21 ILE A 91 187.647 -1.206 -5.920 1.00 0.73 H new ATOM 0 HG22 ILE A 91 189.248 -1.686 -6.531 1.00 0.73 H new ATOM 0 HG23 ILE A 91 188.932 -1.669 -4.780 1.00 0.73 H new ATOM 0 HD11 ILE A 91 188.352 1.425 -2.488 1.00 0.38 H new ATOM 0 HD12 ILE A 91 188.949 -0.195 -2.920 1.00 0.38 H new ATOM 0 HD13 ILE A 91 189.984 1.231 -3.171 1.00 0.38 H new ATOM 1448 N GLN A 92 191.466 -0.462 -7.535 1.00 0.66 N ATOM 1449 CA GLN A 92 192.106 -1.377 -8.464 1.00 0.75 C ATOM 1450 C GLN A 92 193.540 -1.599 -8.027 1.00 0.73 C ATOM 1451 O GLN A 92 194.083 -2.698 -8.145 1.00 0.78 O ATOM 1452 CB GLN A 92 192.063 -0.821 -9.888 1.00 0.84 C ATOM 1453 CG GLN A 92 193.409 -0.856 -10.595 1.00 1.51 C ATOM 1454 CD GLN A 92 193.340 -0.306 -12.006 1.00 1.57 C ATOM 1455 OE1 GLN A 92 192.452 -0.660 -12.780 1.00 1.91 O ATOM 1456 NE2 GLN A 92 194.282 0.566 -12.347 1.00 1.69 N ATOM 0 H GLN A 92 191.123 0.400 -7.958 1.00 0.66 H new ATOM 0 HA GLN A 92 191.571 -2.326 -8.460 1.00 0.75 H new ATOM 0 HB2 GLN A 92 191.341 -1.393 -10.471 1.00 0.84 H new ATOM 0 HB3 GLN A 92 191.705 0.208 -9.857 1.00 0.84 H new ATOM 0 HG2 GLN A 92 194.133 -0.279 -10.019 1.00 1.51 H new ATOM 0 HG3 GLN A 92 193.772 -1.883 -10.627 1.00 1.51 H new ATOM 0 HE21 GLN A 92 195.000 0.831 -11.672 1.00 1.69 H new ATOM 0 HE22 GLN A 92 194.288 0.970 -13.283 1.00 1.69 H new ATOM 1465 N TYR A 93 194.135 -0.540 -7.498 1.00 0.68 N ATOM 1466 CA TYR A 93 195.499 -0.597 -7.008 1.00 0.68 C ATOM 1467 C TYR A 93 195.562 -1.463 -5.762 1.00 0.63 C ATOM 1468 O TYR A 93 196.447 -2.307 -5.617 1.00 0.68 O ATOM 1469 CB TYR A 93 196.025 0.806 -6.705 1.00 0.69 C ATOM 1470 CG TYR A 93 197.519 0.853 -6.478 1.00 0.70 C ATOM 1471 CD1 TYR A 93 198.084 0.299 -5.336 1.00 1.39 C ATOM 1472 CD2 TYR A 93 198.365 1.449 -7.405 1.00 1.40 C ATOM 1473 CE1 TYR A 93 199.449 0.338 -5.124 1.00 1.48 C ATOM 1474 CE2 TYR A 93 199.731 1.492 -7.200 1.00 1.45 C ATOM 1475 CZ TYR A 93 200.268 0.935 -6.059 1.00 0.94 C ATOM 1476 OH TYR A 93 201.627 0.976 -5.851 1.00 1.12 O ATOM 0 H TYR A 93 193.690 0.372 -7.398 1.00 0.68 H new ATOM 0 HA TYR A 93 196.129 -1.036 -7.781 1.00 0.68 H new ATOM 0 HB2 TYR A 93 195.770 1.468 -7.533 1.00 0.69 H new ATOM 0 HB3 TYR A 93 195.519 1.192 -5.820 1.00 0.69 H new ATOM 0 HD1 TYR A 93 197.446 -0.170 -4.602 1.00 1.39 H new ATOM 0 HD2 TYR A 93 197.948 1.886 -8.300 1.00 1.40 H new ATOM 0 HE1 TYR A 93 199.872 -0.097 -4.231 1.00 1.48 H new ATOM 0 HE2 TYR A 93 200.375 1.960 -7.930 1.00 1.45 H new ATOM 0 HH TYR A 93 202.060 1.430 -6.604 1.00 1.12 H new ATOM 1486 N HIS A 94 194.602 -1.255 -4.872 1.00 0.58 N ATOM 1487 CA HIS A 94 194.529 -2.030 -3.633 1.00 0.60 C ATOM 1488 C HIS A 94 193.941 -3.412 -3.893 1.00 0.76 C ATOM 1489 O HIS A 94 193.377 -4.038 -2.996 1.00 1.01 O ATOM 1490 CB HIS A 94 193.696 -1.293 -2.586 1.00 0.56 C ATOM 1491 CG HIS A 94 194.198 0.082 -2.312 1.00 0.55 C ATOM 1492 ND1 HIS A 94 193.682 1.198 -2.927 1.00 1.04 N ATOM 1493 CD2 HIS A 94 195.195 0.519 -1.508 1.00 0.98 C ATOM 1494 CE1 HIS A 94 194.345 2.267 -2.515 1.00 0.94 C ATOM 1495 NE2 HIS A 94 195.265 1.881 -1.653 1.00 0.82 N ATOM 0 H HIS A 94 193.864 -0.560 -4.980 1.00 0.58 H new ATOM 0 HA HIS A 94 195.543 -2.151 -3.251 1.00 0.60 H new ATOM 0 HB2 HIS A 94 192.662 -1.236 -2.925 1.00 0.56 H new ATOM 0 HB3 HIS A 94 193.696 -1.866 -1.659 1.00 0.56 H new ATOM 0 HD1 HIS A 94 192.911 1.202 -3.595 1.00 1.04 H new ATOM 0 HD2 HIS A 94 195.819 -0.091 -0.871 1.00 0.98 H new ATOM 0 HE1 HIS A 94 194.163 3.283 -2.831 1.00 0.94 H new ATOM 1504 N GLN A 95 194.081 -3.882 -5.127 1.00 0.81 N ATOM 1505 CA GLN A 95 193.570 -5.192 -5.514 1.00 1.03 C ATOM 1506 C GLN A 95 194.478 -5.841 -6.549 1.00 1.06 C ATOM 1507 O GLN A 95 194.688 -7.054 -6.540 1.00 1.43 O ATOM 1508 CB GLN A 95 192.148 -5.070 -6.065 1.00 1.18 C ATOM 1509 CG GLN A 95 192.093 -4.926 -7.578 1.00 1.56 C ATOM 1510 CD GLN A 95 190.700 -4.601 -8.081 1.00 1.90 C ATOM 1511 OE1 GLN A 95 190.178 -5.272 -8.972 1.00 2.26 O ATOM 1512 NE2 GLN A 95 190.090 -3.568 -7.512 1.00 2.37 N ATOM 0 H GLN A 95 194.546 -3.374 -5.879 1.00 0.81 H new ATOM 0 HA GLN A 95 193.550 -5.824 -4.626 1.00 1.03 H new ATOM 0 HB2 GLN A 95 191.576 -5.950 -5.771 1.00 1.18 H new ATOM 0 HB3 GLN A 95 191.663 -4.207 -5.608 1.00 1.18 H new ATOM 0 HG2 GLN A 95 192.781 -4.140 -7.890 1.00 1.56 H new ATOM 0 HG3 GLN A 95 192.436 -5.852 -8.040 1.00 1.56 H new ATOM 0 HE21 GLN A 95 190.560 -3.040 -6.777 1.00 2.37 H new ATOM 0 HE22 GLN A 95 189.151 -3.303 -7.810 1.00 2.37 H new ATOM 1521 N TYR A 96 195.013 -5.020 -7.438 1.00 0.92 N ATOM 1522 CA TYR A 96 195.901 -5.490 -8.484 1.00 1.03 C ATOM 1523 C TYR A 96 197.347 -5.108 -8.181 1.00 1.07 C ATOM 1524 O TYR A 96 198.208 -5.140 -9.061 1.00 1.32 O ATOM 1525 CB TYR A 96 195.477 -4.916 -9.838 1.00 1.22 C ATOM 1526 CG TYR A 96 196.634 -4.434 -10.683 1.00 1.38 C ATOM 1527 CD1 TYR A 96 197.471 -5.336 -11.327 1.00 1.93 C ATOM 1528 CD2 TYR A 96 196.889 -3.077 -10.837 1.00 2.08 C ATOM 1529 CE1 TYR A 96 198.530 -4.900 -12.100 1.00 2.52 C ATOM 1530 CE2 TYR A 96 197.945 -2.633 -11.608 1.00 2.59 C ATOM 1531 CZ TYR A 96 198.763 -3.548 -12.238 1.00 2.63 C ATOM 1532 OH TYR A 96 199.816 -3.109 -13.007 1.00 3.39 O ATOM 0 H TYR A 96 194.844 -4.014 -7.454 1.00 0.92 H new ATOM 0 HA TYR A 96 195.834 -6.577 -8.524 1.00 1.03 H new ATOM 0 HB2 TYR A 96 194.928 -5.679 -10.390 1.00 1.22 H new ATOM 0 HB3 TYR A 96 194.790 -4.087 -9.672 1.00 1.22 H new ATOM 0 HD1 TYR A 96 197.291 -6.396 -11.222 1.00 1.93 H new ATOM 0 HD2 TYR A 96 196.251 -2.358 -10.346 1.00 2.08 H new ATOM 0 HE1 TYR A 96 199.172 -5.615 -12.594 1.00 2.52 H new ATOM 0 HE2 TYR A 96 198.130 -1.575 -11.717 1.00 2.59 H new ATOM 0 HH TYR A 96 199.840 -2.129 -13.001 1.00 3.39 H new ATOM 1542 N ASN A 97 197.608 -4.749 -6.927 1.00 0.98 N ATOM 1543 CA ASN A 97 198.944 -4.363 -6.506 1.00 1.14 C ATOM 1544 C ASN A 97 199.229 -4.837 -5.084 1.00 1.24 C ATOM 1545 O ASN A 97 198.533 -5.704 -4.556 1.00 1.88 O ATOM 1546 CB ASN A 97 199.115 -2.846 -6.596 1.00 1.24 C ATOM 1547 CG ASN A 97 199.995 -2.430 -7.758 1.00 1.68 C ATOM 1548 OD1 ASN A 97 201.222 -2.446 -7.660 1.00 2.18 O ATOM 1549 ND2 ASN A 97 199.370 -2.054 -8.868 1.00 2.22 N ATOM 0 H ASN A 97 196.908 -4.719 -6.186 1.00 0.98 H new ATOM 0 HA ASN A 97 199.658 -4.841 -7.177 1.00 1.14 H new ATOM 0 HB2 ASN A 97 198.136 -2.379 -6.700 1.00 1.24 H new ATOM 0 HB3 ASN A 97 199.547 -2.476 -5.666 1.00 1.24 H new ATOM 0 HD21 ASN A 97 199.909 -1.763 -9.683 1.00 2.22 H new ATOM 0 HD22 ASN A 97 198.351 -2.056 -8.905 1.00 2.22 H new ATOM 1556 N GLY A 98 200.258 -4.262 -4.471 1.00 1.25 N ATOM 1557 CA GLY A 98 200.621 -4.637 -3.117 1.00 1.38 C ATOM 1558 C GLY A 98 199.459 -4.528 -2.149 1.00 1.22 C ATOM 1559 O GLY A 98 198.872 -5.537 -1.758 1.00 1.90 O ATOM 0 H GLY A 98 200.848 -3.542 -4.888 1.00 1.25 H new ATOM 0 HA2 GLY A 98 200.995 -5.661 -3.116 1.00 1.38 H new ATOM 0 HA3 GLY A 98 201.436 -4.000 -2.774 1.00 1.38 H new ATOM 1563 N GLY A 99 199.128 -3.302 -1.759 1.00 0.98 N ATOM 1564 CA GLY A 99 198.032 -3.089 -0.832 1.00 0.92 C ATOM 1565 C GLY A 99 198.446 -3.302 0.611 1.00 0.93 C ATOM 1566 O GLY A 99 199.425 -3.996 0.886 1.00 1.53 O ATOM 0 H GLY A 99 199.599 -2.452 -2.068 1.00 0.98 H new ATOM 0 HA2 GLY A 99 197.650 -2.075 -0.952 1.00 0.92 H new ATOM 0 HA3 GLY A 99 197.215 -3.768 -1.077 1.00 0.92 H new ATOM 1570 N GLY A 100 197.702 -2.703 1.535 1.00 0.90 N ATOM 1571 CA GLY A 100 198.017 -2.843 2.945 1.00 0.89 C ATOM 1572 C GLY A 100 196.781 -3.025 3.804 1.00 0.78 C ATOM 1573 O GLY A 100 196.880 -3.160 5.024 1.00 1.14 O ATOM 0 H GLY A 100 196.887 -2.124 1.333 1.00 0.90 H new ATOM 0 HA2 GLY A 100 198.679 -3.698 3.082 1.00 0.89 H new ATOM 0 HA3 GLY A 100 198.562 -1.961 3.281 1.00 0.89 H new ATOM 1577 N LEU A 101 195.613 -3.029 3.169 1.00 0.73 N ATOM 1578 CA LEU A 101 194.354 -3.195 3.885 1.00 0.66 C ATOM 1579 C LEU A 101 193.814 -4.611 3.713 1.00 0.65 C ATOM 1580 O LEU A 101 194.302 -5.375 2.880 1.00 0.90 O ATOM 1581 CB LEU A 101 193.323 -2.181 3.387 1.00 0.65 C ATOM 1582 CG LEU A 101 193.720 -1.421 2.120 1.00 0.70 C ATOM 1583 CD1 LEU A 101 193.198 -2.135 0.883 1.00 1.25 C ATOM 1584 CD2 LEU A 101 193.200 0.007 2.174 1.00 1.43 C ATOM 0 H LEU A 101 195.513 -2.919 2.160 1.00 0.73 H new ATOM 0 HA LEU A 101 194.542 -3.022 4.945 1.00 0.66 H new ATOM 0 HB2 LEU A 101 192.384 -2.703 3.200 1.00 0.65 H new ATOM 0 HB3 LEU A 101 193.134 -1.459 4.181 1.00 0.65 H new ATOM 0 HG LEU A 101 194.808 -1.390 2.062 1.00 0.70 H new ATOM 0 HD11 LEU A 101 193.490 -1.580 -0.008 1.00 1.25 H new ATOM 0 HD12 LEU A 101 193.618 -3.140 0.838 1.00 1.25 H new ATOM 0 HD13 LEU A 101 192.111 -2.198 0.931 1.00 1.25 H new ATOM 0 HD21 LEU A 101 193.491 0.535 1.266 1.00 1.43 H new ATOM 0 HD22 LEU A 101 192.113 -0.004 2.255 1.00 1.43 H new ATOM 0 HD23 LEU A 101 193.623 0.516 3.040 1.00 1.43 H new ATOM 1596 N VAL A 102 192.804 -4.955 4.505 1.00 0.68 N ATOM 1597 CA VAL A 102 192.199 -6.279 4.436 1.00 0.71 C ATOM 1598 C VAL A 102 192.419 -6.905 3.064 1.00 0.69 C ATOM 1599 O VAL A 102 191.772 -6.526 2.087 1.00 0.81 O ATOM 1600 CB VAL A 102 190.688 -6.225 4.731 1.00 0.81 C ATOM 1601 CG1 VAL A 102 189.901 -5.968 3.456 1.00 1.27 C ATOM 1602 CG2 VAL A 102 190.228 -7.513 5.399 1.00 1.07 C ATOM 0 H VAL A 102 192.388 -4.336 5.201 1.00 0.68 H new ATOM 0 HA VAL A 102 192.683 -6.892 5.196 1.00 0.71 H new ATOM 0 HB VAL A 102 190.501 -5.399 5.417 1.00 0.81 H new ATOM 0 HG11 VAL A 102 188.836 -5.934 3.686 1.00 1.27 H new ATOM 0 HG12 VAL A 102 190.210 -5.016 3.023 1.00 1.27 H new ATOM 0 HG13 VAL A 102 190.092 -6.770 2.743 1.00 1.27 H new ATOM 0 HG21 VAL A 102 189.158 -7.457 5.600 1.00 1.07 H new ATOM 0 HG22 VAL A 102 190.429 -8.357 4.739 1.00 1.07 H new ATOM 0 HG23 VAL A 102 190.767 -7.649 6.337 1.00 1.07 H new ATOM 1612 N THR A 103 193.339 -7.861 2.995 1.00 0.73 N ATOM 1613 CA THR A 103 193.647 -8.532 1.739 1.00 0.81 C ATOM 1614 C THR A 103 193.344 -7.623 0.555 1.00 0.75 C ATOM 1615 O THR A 103 192.898 -8.080 -0.497 1.00 0.82 O ATOM 1616 CB THR A 103 192.851 -9.833 1.620 1.00 0.96 C ATOM 1617 OG1 THR A 103 193.162 -10.502 0.410 1.00 1.60 O ATOM 1618 CG2 THR A 103 191.353 -9.623 1.656 1.00 1.36 C ATOM 0 H THR A 103 193.883 -8.188 3.793 1.00 0.73 H new ATOM 0 HA THR A 103 194.711 -8.769 1.731 1.00 0.81 H new ATOM 0 HB THR A 103 193.139 -10.429 2.486 1.00 0.96 H new ATOM 0 HG1 THR A 103 193.078 -9.877 -0.340 1.00 1.60 H new ATOM 0 HG21 THR A 103 190.848 -10.585 1.567 1.00 1.36 H new ATOM 0 HG22 THR A 103 191.074 -9.153 2.599 1.00 1.36 H new ATOM 0 HG23 THR A 103 191.056 -8.980 0.828 1.00 1.36 H new ATOM 1626 N ARG A 104 193.595 -6.332 0.739 1.00 0.68 N ATOM 1627 CA ARG A 104 193.355 -5.343 -0.307 1.00 0.71 C ATOM 1628 C ARG A 104 192.004 -5.572 -0.976 1.00 0.64 C ATOM 1629 O ARG A 104 191.372 -6.610 -0.785 1.00 0.79 O ATOM 1630 CB ARG A 104 194.469 -5.397 -1.354 1.00 0.87 C ATOM 1631 CG ARG A 104 195.609 -6.331 -0.986 1.00 1.44 C ATOM 1632 CD ARG A 104 196.359 -6.807 -2.220 1.00 1.48 C ATOM 1633 NE ARG A 104 195.953 -8.150 -2.623 1.00 1.70 N ATOM 1634 CZ ARG A 104 196.494 -8.807 -3.644 1.00 1.68 C ATOM 1635 NH1 ARG A 104 197.458 -8.245 -4.361 1.00 1.94 N ATOM 1636 NH2 ARG A 104 196.072 -10.027 -3.949 1.00 2.14 N ATOM 0 H ARG A 104 193.966 -5.944 1.606 1.00 0.68 H new ATOM 0 HA ARG A 104 193.347 -4.357 0.157 1.00 0.71 H new ATOM 0 HB2 ARG A 104 194.045 -5.714 -2.307 1.00 0.87 H new ATOM 0 HB3 ARG A 104 194.867 -4.393 -1.500 1.00 0.87 H new ATOM 0 HG2 ARG A 104 196.298 -5.819 -0.315 1.00 1.44 H new ATOM 0 HG3 ARG A 104 195.216 -7.191 -0.444 1.00 1.44 H new ATOM 0 HD2 ARG A 104 196.182 -6.113 -3.042 1.00 1.48 H new ATOM 0 HD3 ARG A 104 197.430 -6.797 -2.019 1.00 1.48 H new ATOM 0 HE ARG A 104 195.213 -8.610 -2.092 1.00 1.70 H new ATOM 0 HH11 ARG A 104 197.785 -7.307 -4.129 1.00 1.94 H new ATOM 0 HH12 ARG A 104 197.872 -8.751 -5.144 1.00 1.94 H new ATOM 0 HH21 ARG A 104 195.331 -10.463 -3.400 1.00 2.14 H new ATOM 0 HH22 ARG A 104 196.488 -10.530 -4.733 1.00 2.14 H new ATOM 1650 N LEU A 105 191.569 -4.596 -1.767 1.00 0.57 N ATOM 1651 CA LEU A 105 190.296 -4.696 -2.470 1.00 0.52 C ATOM 1652 C LEU A 105 190.253 -5.973 -3.305 1.00 0.59 C ATOM 1653 O LEU A 105 191.293 -6.482 -3.725 1.00 0.69 O ATOM 1654 CB LEU A 105 190.086 -3.471 -3.365 1.00 0.55 C ATOM 1655 CG LEU A 105 189.674 -2.190 -2.633 1.00 0.53 C ATOM 1656 CD1 LEU A 105 188.178 -2.183 -2.359 1.00 0.62 C ATOM 1657 CD2 LEU A 105 190.450 -2.042 -1.335 1.00 0.78 C ATOM 0 H LEU A 105 192.079 -3.729 -1.937 1.00 0.57 H new ATOM 0 HA LEU A 105 189.493 -4.732 -1.734 1.00 0.52 H new ATOM 0 HB2 LEU A 105 191.009 -3.277 -3.911 1.00 0.55 H new ATOM 0 HB3 LEU A 105 189.322 -3.709 -4.105 1.00 0.55 H new ATOM 0 HG LEU A 105 189.910 -1.342 -3.276 1.00 0.53 H new ATOM 0 HD11 LEU A 105 187.908 -1.264 -1.839 1.00 0.62 H new ATOM 0 HD12 LEU A 105 187.635 -2.239 -3.302 1.00 0.62 H new ATOM 0 HD13 LEU A 105 187.918 -3.041 -1.739 1.00 0.62 H new ATOM 0 HD21 LEU A 105 190.143 -1.126 -0.830 1.00 0.78 H new ATOM 0 HD22 LEU A 105 190.247 -2.897 -0.690 1.00 0.78 H new ATOM 0 HD23 LEU A 105 191.517 -1.996 -1.552 1.00 0.78 H new ATOM 1669 N ARG A 106 189.053 -6.494 -3.539 1.00 0.59 N ATOM 1670 CA ARG A 106 188.897 -7.713 -4.315 1.00 0.70 C ATOM 1671 C ARG A 106 187.525 -7.785 -4.979 1.00 0.72 C ATOM 1672 O ARG A 106 187.412 -7.712 -6.203 1.00 0.84 O ATOM 1673 CB ARG A 106 189.103 -8.936 -3.420 1.00 0.75 C ATOM 1674 CG ARG A 106 190.537 -9.440 -3.398 1.00 1.26 C ATOM 1675 CD ARG A 106 190.836 -10.321 -4.600 1.00 1.44 C ATOM 1676 NE ARG A 106 190.293 -11.667 -4.443 1.00 1.85 N ATOM 1677 CZ ARG A 106 190.863 -12.756 -4.950 1.00 2.29 C ATOM 1678 NH1 ARG A 106 191.990 -12.655 -5.642 1.00 2.55 N ATOM 1679 NH2 ARG A 106 190.308 -13.946 -4.764 1.00 3.10 N ATOM 0 H ARG A 106 188.179 -6.091 -3.202 1.00 0.59 H new ATOM 0 HA ARG A 106 189.652 -7.704 -5.101 1.00 0.70 H new ATOM 0 HB2 ARG A 106 188.799 -8.687 -2.403 1.00 0.75 H new ATOM 0 HB3 ARG A 106 188.450 -9.739 -3.761 1.00 0.75 H new ATOM 0 HG2 ARG A 106 191.222 -8.592 -3.388 1.00 1.26 H new ATOM 0 HG3 ARG A 106 190.712 -10.002 -2.481 1.00 1.26 H new ATOM 0 HD2 ARG A 106 190.418 -9.864 -5.497 1.00 1.44 H new ATOM 0 HD3 ARG A 106 191.915 -10.380 -4.746 1.00 1.44 H new ATOM 0 HE ARG A 106 189.428 -11.778 -3.915 1.00 1.85 H new ATOM 0 HH11 ARG A 106 192.420 -11.741 -5.786 1.00 2.55 H new ATOM 0 HH12 ARG A 106 192.427 -13.491 -6.031 1.00 2.55 H new ATOM 0 HH21 ARG A 106 189.442 -14.027 -4.231 1.00 3.10 H new ATOM 0 HH22 ARG A 106 190.747 -14.780 -5.154 1.00 3.10 H new ATOM 1693 N TYR A 107 186.487 -7.947 -4.166 1.00 0.67 N ATOM 1694 CA TYR A 107 185.124 -8.052 -4.676 1.00 0.69 C ATOM 1695 C TYR A 107 184.242 -6.907 -4.184 1.00 0.59 C ATOM 1696 O TYR A 107 184.057 -6.715 -2.983 1.00 0.54 O ATOM 1697 CB TYR A 107 184.510 -9.387 -4.254 1.00 0.76 C ATOM 1698 CG TYR A 107 183.219 -9.712 -4.971 1.00 0.84 C ATOM 1699 CD1 TYR A 107 183.201 -9.940 -6.341 1.00 1.41 C ATOM 1700 CD2 TYR A 107 182.018 -9.790 -4.277 1.00 1.53 C ATOM 1701 CE1 TYR A 107 182.024 -10.236 -7.000 1.00 1.51 C ATOM 1702 CE2 TYR A 107 180.836 -10.086 -4.929 1.00 1.61 C ATOM 1703 CZ TYR A 107 180.844 -10.308 -6.290 1.00 1.12 C ATOM 1704 OH TYR A 107 179.669 -10.603 -6.942 1.00 1.30 O ATOM 0 H TYR A 107 186.563 -8.009 -3.151 1.00 0.67 H new ATOM 0 HA TYR A 107 185.176 -7.993 -5.763 1.00 0.69 H new ATOM 0 HB2 TYR A 107 185.230 -10.184 -4.440 1.00 0.76 H new ATOM 0 HB3 TYR A 107 184.325 -9.369 -3.180 1.00 0.76 H new ATOM 0 HD1 TYR A 107 184.123 -9.885 -6.900 1.00 1.41 H new ATOM 0 HD2 TYR A 107 182.008 -9.617 -3.211 1.00 1.53 H new ATOM 0 HE1 TYR A 107 182.028 -10.410 -8.066 1.00 1.51 H new ATOM 0 HE2 TYR A 107 179.910 -10.143 -4.375 1.00 1.61 H new ATOM 0 HH TYR A 107 178.931 -10.616 -6.297 1.00 1.30 H new ATOM 1714 N PRO A 108 183.677 -6.133 -5.120 1.00 0.60 N ATOM 1715 CA PRO A 108 182.800 -5.007 -4.806 1.00 0.54 C ATOM 1716 C PRO A 108 181.382 -5.465 -4.475 1.00 0.56 C ATOM 1717 O PRO A 108 180.538 -5.587 -5.363 1.00 0.77 O ATOM 1718 CB PRO A 108 182.798 -4.177 -6.098 1.00 0.59 C ATOM 1719 CG PRO A 108 183.735 -4.866 -7.041 1.00 0.67 C ATOM 1720 CD PRO A 108 183.845 -6.285 -6.564 1.00 0.70 C ATOM 0 HA PRO A 108 183.144 -4.455 -3.931 1.00 0.54 H new ATOM 0 HB2 PRO A 108 181.795 -4.118 -6.521 1.00 0.59 H new ATOM 0 HB3 PRO A 108 183.123 -3.155 -5.904 1.00 0.59 H new ATOM 0 HG2 PRO A 108 183.357 -4.827 -8.062 1.00 0.67 H new ATOM 0 HG3 PRO A 108 184.711 -4.380 -7.044 1.00 0.67 H new ATOM 0 HD2 PRO A 108 183.076 -6.923 -7.000 1.00 0.70 H new ATOM 0 HD3 PRO A 108 184.808 -6.728 -6.819 1.00 0.70 H new ATOM 1728 N VAL A 109 181.129 -5.727 -3.198 1.00 0.62 N ATOM 1729 CA VAL A 109 179.819 -6.182 -2.758 1.00 0.67 C ATOM 1730 C VAL A 109 178.827 -5.027 -2.641 1.00 0.61 C ATOM 1731 O VAL A 109 177.855 -5.108 -1.891 1.00 0.87 O ATOM 1732 CB VAL A 109 179.905 -6.913 -1.404 1.00 0.88 C ATOM 1733 CG1 VAL A 109 179.347 -6.046 -0.287 1.00 1.20 C ATOM 1734 CG2 VAL A 109 179.173 -8.245 -1.471 1.00 1.47 C ATOM 0 H VAL A 109 181.816 -5.632 -2.450 1.00 0.62 H new ATOM 0 HA VAL A 109 179.462 -6.876 -3.519 1.00 0.67 H new ATOM 0 HB VAL A 109 180.955 -7.109 -1.186 1.00 0.88 H new ATOM 0 HG11 VAL A 109 179.418 -6.582 0.659 1.00 1.20 H new ATOM 0 HG12 VAL A 109 179.920 -5.121 -0.224 1.00 1.20 H new ATOM 0 HG13 VAL A 109 178.303 -5.813 -0.495 1.00 1.20 H new ATOM 0 HG21 VAL A 109 179.244 -8.748 -0.507 1.00 1.47 H new ATOM 0 HG22 VAL A 109 178.125 -8.072 -1.714 1.00 1.47 H new ATOM 0 HG23 VAL A 109 179.626 -8.871 -2.240 1.00 1.47 H new ATOM 1744 N CYS A 110 179.071 -3.955 -3.389 1.00 0.61 N ATOM 1745 CA CYS A 110 178.188 -2.793 -3.361 1.00 0.70 C ATOM 1746 C CYS A 110 176.744 -3.216 -3.114 1.00 0.79 C ATOM 1747 O CYS A 110 176.076 -3.731 -4.010 1.00 0.99 O ATOM 1748 CB CYS A 110 178.284 -2.018 -4.675 1.00 0.81 C ATOM 1749 SG CYS A 110 178.224 -3.058 -6.152 1.00 1.56 S ATOM 0 H CYS A 110 179.868 -3.866 -4.019 1.00 0.61 H new ATOM 0 HA CYS A 110 178.507 -2.147 -2.543 1.00 0.70 H new ATOM 0 HB2 CYS A 110 177.469 -1.296 -4.719 1.00 0.81 H new ATOM 0 HB3 CYS A 110 179.214 -1.449 -4.682 1.00 0.81 H new ATOM 0 HG CYS A 110 177.622 -4.176 -5.872 1.00 1.56 H new ATOM 1755 N GLY A 111 176.267 -2.995 -1.893 1.00 0.82 N ATOM 1756 CA GLY A 111 174.905 -3.360 -1.552 1.00 0.95 C ATOM 1757 C GLY A 111 173.990 -3.378 -2.762 1.00 1.21 C ATOM 1758 O GLY A 111 173.606 -2.287 -3.231 1.00 2.03 O ATOM 0 H GLY A 111 176.800 -2.570 -1.134 1.00 0.82 H new ATOM 0 HA2 GLY A 111 174.902 -4.344 -1.083 1.00 0.95 H new ATOM 0 HA3 GLY A 111 174.516 -2.656 -0.817 1.00 0.95 H new TER 1762 GLY A 111 HETATM 1763 C ACE B 118 191.213 6.400 12.827 1.00 2.60 C HETATM 1764 O ACE B 118 190.699 5.293 12.985 1.00 2.68 O HETATM 1765 CH3 ACE B 118 191.859 6.771 11.516 1.00 3.35 C HETATM 0 H1 ACE B 118 191.356 7.642 11.096 1.00 3.35 H new HETATM 0 H2 ACE B 118 192.911 7.004 11.682 1.00 3.35 H new HETATM 0 H3 ACE B 118 191.778 5.935 10.821 1.00 3.35 H new ATOM 1769 N ALA B 119 191.239 7.329 13.777 1.00 2.38 N ATOM 1770 CA ALA B 119 190.652 7.094 15.091 1.00 2.66 C ATOM 1771 C ALA B 119 189.202 6.638 14.970 1.00 2.40 C ATOM 1772 O ALA B 119 188.642 6.063 15.903 1.00 3.24 O ATOM 1773 CB ALA B 119 190.742 8.353 15.940 1.00 3.03 C ATOM 0 H ALA B 119 191.660 8.251 13.662 1.00 2.38 H new ATOM 0 HA ALA B 119 191.216 6.299 15.578 1.00 2.66 H new ATOM 0 HB1 ALA B 119 190.300 8.164 16.918 1.00 3.03 H new ATOM 0 HB2 ALA B 119 191.788 8.635 16.062 1.00 3.03 H new ATOM 0 HB3 ALA B 119 190.203 9.163 15.448 1.00 3.03 H new ATOM 1779 N ASP B 120 188.599 6.899 13.814 1.00 1.96 N ATOM 1780 CA ASP B 120 187.213 6.516 13.571 1.00 2.72 C ATOM 1781 C ASP B 120 187.085 5.736 12.267 1.00 2.48 C ATOM 1782 O ASP B 120 185.979 5.443 11.813 1.00 3.37 O ATOM 1783 CB ASP B 120 186.319 7.756 13.527 1.00 3.34 C ATOM 1784 CG ASP B 120 186.969 8.912 12.793 1.00 3.82 C ATOM 1785 OD1 ASP B 120 187.934 8.668 12.038 1.00 4.54 O ATOM 1786 OD2 ASP B 120 186.513 10.061 12.972 1.00 3.97 O ATOM 0 H ASP B 120 189.049 7.374 13.031 1.00 1.96 H new ATOM 0 HA ASP B 120 186.891 5.874 14.391 1.00 2.72 H new ATOM 0 HB2 ASP B 120 185.377 7.504 13.040 1.00 3.34 H new ATOM 0 HB3 ASP B 120 186.080 8.064 14.545 1.00 3.34 H new HETATM 1791 N PTR B 121 188.224 5.402 11.669 1.00 1.46 N HETATM 1792 CA PTR B 121 188.240 4.656 10.416 1.00 1.23 C HETATM 1793 C PTR B 121 189.516 3.831 10.290 1.00 1.24 C HETATM 1794 O PTR B 121 190.607 4.379 10.137 1.00 1.82 O HETATM 1795 CB PTR B 121 188.117 5.611 9.227 1.00 1.11 C HETATM 1796 CG PTR B 121 186.733 5.647 8.621 1.00 0.97 C HETATM 1797 CD1 PTR B 121 186.312 4.650 7.750 1.00 0.95 C HETATM 1798 CD2 PTR B 121 185.849 6.675 8.920 1.00 1.52 C HETATM 1799 CE1 PTR B 121 185.048 4.677 7.194 1.00 0.97 C HETATM 1800 CE2 PTR B 121 184.583 6.710 8.369 1.00 1.45 C HETATM 1801 CZ PTR B 121 184.187 5.710 7.507 1.00 0.88 C HETATM 1802 OH PTR B 121 182.926 5.741 6.957 1.00 0.92 O HETATM 1803 P PTR B 121 181.830 5.816 8.134 1.00 1.21 P HETATM 1804 O1P PTR B 121 181.389 7.326 8.478 1.00 2.06 O HETATM 1805 O2P PTR B 121 182.417 5.107 9.292 1.00 2.04 O HETATM 1806 O3P PTR B 121 180.514 5.085 7.562 1.00 1.96 O HETATM 0 HE2 PTR B 121 183.901 7.524 8.614 1.00 1.45 H new HETATM 0 HE1 PTR B 121 184.732 3.887 6.512 1.00 0.97 H new HETATM 0 HD2 PTR B 121 186.159 7.468 9.601 1.00 1.52 H new HETATM 0 HD1 PTR B 121 186.990 3.833 7.501 1.00 0.95 H new HETATM 0 HB3 PTR B 121 188.390 6.616 9.549 1.00 1.11 H new HETATM 0 HB2 PTR B 121 188.833 5.317 8.460 1.00 1.11 H new HETATM 0 HA PTR B 121 187.388 3.976 10.417 1.00 1.23 H new HETATM 0 H PTR B 121 189.006 5.324 12.319 1.00 1.46 H new ATOM 1815 N GLU B 122 189.372 2.510 10.354 1.00 1.23 N ATOM 1816 CA GLU B 122 190.516 1.612 10.245 1.00 1.27 C ATOM 1817 C GLU B 122 191.709 2.334 9.629 1.00 1.14 C ATOM 1818 O GLU B 122 191.887 2.333 8.412 1.00 1.50 O ATOM 1819 CB GLU B 122 190.153 0.388 9.403 1.00 1.66 C ATOM 1820 CG GLU B 122 189.706 -0.807 10.228 1.00 1.93 C ATOM 1821 CD GLU B 122 189.543 -0.473 11.698 1.00 2.49 C ATOM 1822 OE1 GLU B 122 188.445 -0.021 12.085 1.00 3.15 O ATOM 1823 OE2 GLU B 122 190.513 -0.663 12.461 1.00 2.93 O ATOM 0 H GLU B 122 188.476 2.039 10.481 1.00 1.23 H new ATOM 0 HA GLU B 122 190.789 1.283 11.248 1.00 1.27 H new ATOM 0 HB2 GLU B 122 189.357 0.658 8.709 1.00 1.66 H new ATOM 0 HB3 GLU B 122 191.016 0.102 8.802 1.00 1.66 H new ATOM 0 HG2 GLU B 122 188.759 -1.180 9.837 1.00 1.93 H new ATOM 0 HG3 GLU B 122 190.434 -1.611 10.120 1.00 1.93 H new ATOM 1830 N PRO B 123 192.540 2.964 10.471 1.00 1.58 N ATOM 1831 CA PRO B 123 193.724 3.701 10.019 1.00 1.92 C ATOM 1832 C PRO B 123 194.683 2.828 9.218 1.00 1.53 C ATOM 1833 O PRO B 123 195.449 2.046 9.783 1.00 2.09 O ATOM 1834 CB PRO B 123 194.388 4.169 11.322 1.00 3.07 C ATOM 1835 CG PRO B 123 193.780 3.332 12.397 1.00 3.36 C ATOM 1836 CD PRO B 123 192.391 3.008 11.931 1.00 2.45 C ATOM 0 HA PRO B 123 193.455 4.518 9.350 1.00 1.92 H new ATOM 0 HB2 PRO B 123 195.469 4.034 11.283 1.00 3.07 H new ATOM 0 HB3 PRO B 123 194.205 5.229 11.498 1.00 3.07 H new ATOM 0 HG2 PRO B 123 194.359 2.423 12.559 1.00 3.36 H new ATOM 0 HG3 PRO B 123 193.758 3.869 13.345 1.00 3.36 H new ATOM 0 HD2 PRO B 123 192.042 2.056 12.331 1.00 2.45 H new ATOM 0 HD3 PRO B 123 191.673 3.767 12.242 1.00 2.45 H new ATOM 1844 N PRO B 124 194.655 2.957 7.883 1.00 1.06 N ATOM 1845 CA PRO B 124 195.521 2.188 6.993 1.00 1.39 C ATOM 1846 C PRO B 124 196.936 2.041 7.543 1.00 2.32 C ATOM 1847 O PRO B 124 197.370 2.817 8.394 1.00 2.90 O ATOM 1848 CB PRO B 124 195.524 3.030 5.721 1.00 1.16 C ATOM 1849 CG PRO B 124 194.182 3.679 5.698 1.00 1.12 C ATOM 1850 CD PRO B 124 193.772 3.874 7.137 1.00 1.18 C ATOM 0 HA PRO B 124 195.170 1.166 6.851 1.00 1.39 H new ATOM 0 HB2 PRO B 124 196.323 3.771 5.738 1.00 1.16 H new ATOM 0 HB3 PRO B 124 195.681 2.412 4.837 1.00 1.16 H new ATOM 0 HG2 PRO B 124 194.223 4.634 5.174 1.00 1.12 H new ATOM 0 HG3 PRO B 124 193.460 3.056 5.170 1.00 1.12 H new ATOM 0 HD2 PRO B 124 193.908 4.908 7.455 1.00 1.18 H new ATOM 0 HD3 PRO B 124 192.721 3.630 7.290 1.00 1.18 H new HETATM 1858 N NH2 B 125 197.668 1.043 7.061 1.00 3.03 N TER 1859 NH2 B 125 CONECT 1 2 3 7 CONECT 2 1 CONECT 3 1 4 5 6 CONECT 4 3 CONECT 5 3 CONECT 6 3 CONECT 7 1 CONECT 1763 1764 1765 1769 CONECT 1764 1763 CONECT 1765 1763 1766 1767 1768 CONECT 1766 1765 CONECT 1767 1765 CONECT 1768 1765 CONECT 1769 1763 CONECT 1781 1791 CONECT 1791 1781 1792 1807 CONECT 1792 1791 1793 1795 1808 CONECT 1793 1792 1794 1815 CONECT 1794 1793 CONECT 1795 1792 1796 1809 1810 CONECT 1796 1795 1797 1798 CONECT 1797 1796 1799 1811 CONECT 1798 1796 1800 1812 CONECT 1799 1797 1801 1813 CONECT 1800 1798 1801 1814 CONECT 1801 1799 1800 1802 CONECT 1802 1801 1803 CONECT 1803 1802 1804 1805 1806 CONECT 1804 1803 CONECT 1805 1803 CONECT 1806 1803 CONECT 1807 1791 CONECT 1808 1792 CONECT 1809 1795 CONECT 1810 1795 CONECT 1811 1797 CONECT 1812 1798 CONECT 1813 1799 CONECT 1814 1800 CONECT 1815 1793 CONECT 1846 1858 CONECT 1858 1846 END