USER MOD reduce.3.24.130724 H: found=0, std=0, add=1566, rem=0, adj=81 USER MOD reduce.3.24.130724 removed 1566 hydrogens (0 hets) HEADER CONTRACTILE PROTEIN/PEPTIDE 07-JUL-00 1F95 TITLE SOLUTION STRUCTURE OF DYNEIN LIGHT CHAIN 8 (DLC8) AND BIM PEPTIDE TITLE 2 COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: DYNEIN; COMPND 3 CHAIN: A, B; COMPND 4 FRAGMENT: 8KDA LIGHT CHAIN; COMPND 5 SYNONYM: PROTEIN INHIBITOR OF NEURONAL NITRIC OXIDE SYNTHASE, DLC8; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: BCL2-LIKE 11 (APOPTOSIS FACILITATOR); COMPND 9 CHAIN: C, D; COMPND 0 FRAGMENT: DLC8 BINDING REGION; COMPND 1 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET14B; SOURCE 9 MOL_ID: 2; SOURCE 0 SYNTHETIC: YES; SOURCE 1 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED. THIS SOURCE 2 SEQUENCE OCCURS NATURALLY IN HUMANS (HOMO SAPIENS) KEYWDS DYNEIN, LIGHT CHAIN, DLC8, BIM, APOPTOSIS, CONTRACTILE PROTEIN- KEYWDS 2 PEPTIDE COMPLEX EXPDTA SOLUTION NMR AUTHOR J.-S.FAN,Q.ZHANG,H.TOCHIO,M.LI,M.ZHANG REVDAT 4 13-JUL-11 1F95 1 VERSN REVDAT 3 24-FEB-09 1F95 1 VERSN REVDAT 2 01-APR-03 1F95 1 JRNL REVDAT 1 28-FEB-01 1F95 0 JRNL AUTH J.FAN,Q.ZHANG,H.TOCHIO,M.LI,M.ZHANG JRNL TITL STRUCTURAL BASIS OF DIVERSE SEQUENCE-DEPENDENT TARGET JRNL TITL 2 RECOGNITION BY THE 8 KDA DYNEIN LIGHT CHAIN. JRNL REF J.MOL.BIOL. V. 306 97 2001 JRNL REFN ISSN 0022-2836 JRNL PMID 11178896 JRNL DOI 10.1006/JMBI.2000.4374 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE, REMARK 3 JIANG,KUSZEWSKI,NILGES,PANNU,READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1F95 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-AUG-00. REMARK 100 THE RCSB ID CODE IS RCSB011396. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 100MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.5MM DLC8/BIM PEPTIDE COMPLEX REMARK 210 15N; 100MM PHOSPHATE BUFFER; 10MM REMARK 210 DTT; 90% H2O AND 10% D2O; 1.5MM REMARK 210 DLC8/BIM PEPTIDE COMPLEX 15N,13C; REMARK 210 100MM PHOSPHATE BUFFER; 10MM DTT; REMARK 210 90% H2O AND 10% D2O; 1.5MM DLC8/ REMARK 210 BIM PEPTIDE COMPLEX ; 100MM REMARK 210 PHOSPHATE BUFFER; 10MM DTT; 99.9% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C- REMARK 210 SEPARATED_NOESY; 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 750 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR 6.1B, NMRPIPE 1.7, X-PLOR REMARK 210 3.8 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 200 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 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 O THR A 70 HD1 HIS A 72 1.58 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 ASP A 3 -138.71 43.23 REMARK 500 ASP A 12 70.07 -150.07 REMARK 500 ASN A 33 32.22 -94.37 REMARK 500 ASN A 51 141.02 84.33 REMARK 500 ASN A 61 134.47 -171.16 REMARK 500 PHE A 62 -170.98 179.20 REMARK 500 GLU A 69 -122.79 -85.28 REMARK 500 GLN A 80 -26.80 82.68 REMARK 500 PHE A 86 140.38 -177.11 REMARK 500 SER A 88 43.45 -154.62 REMARK 500 CYS B 2 46.01 -177.92 REMARK 500 ARG B 4 130.12 -177.02 REMARK 500 VAL B 7 66.53 -156.82 REMARK 500 ASN B 10 144.42 -174.84 REMARK 500 ASN B 51 139.94 78.46 REMARK 500 PHE B 62 144.79 178.35 REMARK 500 HIS B 68 -169.85 -128.93 REMARK 500 GLU B 69 -125.65 -81.95 REMARK 500 GLN B 80 42.73 -90.37 REMARK 500 PHE B 86 141.95 -178.50 REMARK 500 SER B 88 44.78 -153.31 REMARK 500 CYS C 3 145.60 174.73 REMARK 500 SER D 2 112.56 -169.09 REMARK 500 CYS D 3 127.50 -170.59 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 CHAIN C OF BCL2-LIKE 11 REMARK 800 (APOPTOSIS FACILITATOR) REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN D OF BCL2-LIKE 11 REMARK 800 (APOPTOSIS FACILITATOR) REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1F3C RELATED DB: PDB REMARK 900 THIS IS A SOLUTION STRUCTURE OF DYNEIN LIGHT CHAIN 8 (DLC8) REMARK 900 COMPLEXED WITH ONE TARGET, BIM. DBREF 1F95 A 1 89 UNP P63170 DYL1_RAT 1 89 DBREF 1F95 B 1 89 UNP P63170 DYL1_RAT 1 89 DBREF 1F95 C 1 9 UNP O43521 B2L11_HUMAN 108 116 DBREF 1F95 D 1 9 UNP O43521 B2L11_HUMAN 108 116 SEQRES 1 A 89 MET CYS ASP ARG LYS ALA VAL ILE LYS ASN ALA ASP MET SEQRES 2 A 89 SER GLU GLU MET GLN GLN ASP SER VAL GLU CYS ALA THR SEQRES 3 A 89 GLN ALA LEU GLU LYS TYR ASN ILE GLU LYS ASP ILE ALA SEQRES 4 A 89 ALA HIS ILE LYS LYS GLU PHE ASP LYS LYS TYR ASN PRO SEQRES 5 A 89 THR TRP HIS CYS ILE VAL GLY ARG ASN PHE GLY SER TYR SEQRES 6 A 89 VAL THR HIS GLU THR LYS HIS PHE ILE TYR PHE TYR LEU SEQRES 7 A 89 GLY GLN VAL ALA ILE LEU LEU PHE LYS SER GLY SEQRES 1 B 89 MET CYS ASP ARG LYS ALA VAL ILE LYS ASN ALA ASP MET SEQRES 2 B 89 SER GLU GLU MET GLN GLN ASP SER VAL GLU CYS ALA THR SEQRES 3 B 89 GLN ALA LEU GLU LYS TYR ASN ILE GLU LYS ASP ILE ALA SEQRES 4 B 89 ALA HIS ILE LYS LYS GLU PHE ASP LYS LYS TYR ASN PRO SEQRES 5 B 89 THR TRP HIS CYS ILE VAL GLY ARG ASN PHE GLY SER TYR SEQRES 6 B 89 VAL THR HIS GLU THR LYS HIS PHE ILE TYR PHE TYR LEU SEQRES 7 B 89 GLY GLN VAL ALA ILE LEU LEU PHE LYS SER GLY SEQRES 1 C 9 MET SER CYS ASP LYS SER THR GLN THR SEQRES 1 D 9 MET SER CYS ASP LYS SER THR GLN THR HELIX 1 1 SER A 14 TYR A 32 1 19 HELIX 2 2 ILE A 34 TYR A 50 1 17 HELIX 3 3 SER B 14 TYR B 32 1 19 HELIX 4 4 ILE B 34 TYR B 50 1 17 SHEET 1 A 5 ALA A 6 MET A 13 0 SHEET 2 A 5 HIS A 72 LEU A 78 -1 O PHE A 73 N ASP A 12 SHEET 3 A 5 VAL A 81 LYS A 87 -1 O VAL A 81 N LEU A 78 SHEET 4 A 5 TRP A 54 VAL A 66 -1 N HIS A 55 O PHE A 86 SHEET 5 A 5 LYS C 5 GLN C 8 -1 N LYS C 5 O VAL A 66 SHEET 6 A 5 TRP A 54 VAL A 66 0 SHEET 7 A 5 TRP B 54 HIS B 68 -1 N CYS B 56 O TYR A 65 SHEET 8 A 5 VAL B 81 LYS B 87 -1 N ALA B 82 O GLY B 59 SHEET 9 A 5 HIS B 72 LEU B 78 -1 O HIS B 72 N LYS B 87 SHEET 10 A 5 ALA B 6 MET B 13 -1 O VAL B 7 N TYR B 77 SHEET 11 A 5 TRP A 54 VAL A 66 0 SHEET 12 A 5 LYS C 5 GLN C 8 -1 N LYS C 5 O VAL A 66 SHEET 13 A 5 TRP B 54 HIS B 68 0 SHEET 14 A 5 CYS D 3 GLN D 8 -1 O CYS D 3 N HIS B 68 CISPEP 1 PRO A 52 THR A 53 0 0.80 CISPEP 2 PRO B 52 THR B 53 0 0.54 SITE *** AC1 16 ASN A 61 PHE A 62 GLY A 63 SER A 64 SITE *** AC1 16 TYR A 65 VAL A 66 THR A 67 HIS A 68 SITE *** AC1 16 GLU A 69 THR A 70 PHE A 73 TYR A 75 SITE *** AC1 16 TYR A 77 ALA A 82 LEU A 84 LYS B 36 SITE *** AC2 18 ILE A 34 GLU A 35 LYS A 36 ASN B 10 SITE *** AC2 18 GLY B 59 ASN B 61 PHE B 62 GLY B 63 SITE *** AC2 18 SER B 64 TYR B 65 VAL B 66 THR B 67 SITE *** AC2 18 HIS B 68 GLU B 69 THR B 70 TYR B 75 SITE *** AC2 18 ALA B 82 LEU B 84 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 61 ASN :FLIP amide:sc= 0.553 F(o=-1.5,f=-0.48) USER MOD Set 1.2: D 9 THR OG1 : rot 12:sc= -1.03 USER MOD Set 2.1: B 10 ASN :FLIP amide:sc= -0.38 F(o=-2.1,f=-0.37) USER MOD Set 2.2: D 5 LYS NZ :NH3+ -147:sc= 0.0129 (180deg=-0.214) USER MOD Set 3.1: C 8 GLN : amide:sc= -3.01! C(o=-2!,f=-2.8!) USER MOD Set 3.2: C 9 THR OG1 : rot 48:sc= 0.987 USER MOD Set 4.1: A 64 SER OG : rot -56:sc= 1.6 USER MOD Set 4.2: C 7 THR OG1 : rot -93:sc= 1.24 USER MOD Set 5.1: C 2 SER OG : rot -75:sc= 0.12 USER MOD Set 5.2: C 3 CYS SG : rot 180:sc= -1.05 USER MOD Set 6.1: A 55 HIS :FLIP no HD1:sc= -2.3 F(o=-8.6!,f=-4.9) USER MOD Set 6.2: B 55 HIS :FLIP no HD1:sc= -3.54 F(o=-6!,f=-4.9) USER MOD Set 6.3: B 88 SER OG : rot 127:sc= 0.923 USER MOD Set 7.1: B 70 THR OG1 : rot -7:sc= -1.36! USER MOD Set 7.2: D 1 MET N :NH3+ 138:sc= 2.24 (180deg=0.722) USER MOD Set 8.1: B 64 SER OG : rot 77:sc= 1.51! USER MOD Set 8.2: D 7 THR OG1 : rot 77:sc= 1.54 USER MOD Set 9.1: A 70 THR OG1 : rot 180:sc= -2.81! USER MOD Set 9.2: C 1 MET N :NH3+ 146:sc= -0.0559 (180deg=-0.324) USER MOD Set10.1: A 32 TYR OH : rot 180:sc= 0 USER MOD Set10.2: A 41 HIS : no HD1:sc= -0.227 X(o=-0.23,f=0) USER MOD Single : A 1 MET CE :methyl -154:sc= -4.26! (180deg=-6.1!) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0115) USER MOD Single : A 2 CYS SG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -168:sc= -0.022 (180deg=-0.178) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.606 F(o=-1.4!,f=-0.61) USER MOD Single : A 13 MET CE :methyl -128:sc= -8.54! (180deg=-15.5!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -131:sc= -0.592 (180deg=-3.01!) USER MOD Single : A 18 GLN :FLIP amide:sc= -1.62 F(o=-2.6!,f=-1.6) USER MOD Single : A 19 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.16) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 150:sc= -4.38! USER MOD Single : A 26 THR OG1 : rot 76:sc= 1.28 USER MOD Single : A 27 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= -0.034 (180deg=-0.259) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0408 F(o=-1.7,f=-0.041) USER MOD Single : A 36 LYS NZ :NH3+ 135:sc= 0.123 (180deg=-0.241) USER MOD Single : A 43 LYS NZ :NH3+ -122:sc= 0.356 (180deg=-2.74!) USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= -0.0348 (180deg=-0.216) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= -0.0278 (180deg=-0.169) USER MOD Single : A 49 LYS NZ :NH3+ -173:sc=-0.00066 (180deg=-0.0733) USER MOD Single : A 50 TYR OH : rot 100:sc= 0.976 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.113 F(o=-1.6,f=-0.11) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A 56 CYS SG : rot 27:sc= -1.03 USER MOD Single : A 61 ASN :FLIP amide:sc= -2.88! C(o=-4.7!,f=-2.9!) USER MOD Single : A 65 TYR OH : rot 180:sc= -1.43 USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 68 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-2.6) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -4.99! C(o=-5!,f=-11!) USER MOD Single : A 75 TYR OH : rot -36:sc= -2.87! USER MOD Single : A 77 TYR OH : rot -100:sc= -0.799 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 133:sc= -0.146 USER MOD Single : B 1 MET CE :methyl 159:sc= -0.217 (180deg=-0.863) USER MOD Single : B 1 MET N :NH3+ -162:sc= -0.0599 (180deg=-0.441) USER MOD Single : B 2 CYS SG : rot 180:sc= -0.0846 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 MET CE :methyl -138:sc= -7.52! (180deg=-13.5!) USER MOD Single : B 14 SER OG : rot 180:sc= -0.0161 USER MOD Single : B 17 MET CE :methyl -122:sc= -0.942 (180deg=-5.01!) USER MOD Single : B 18 GLN :FLIP amide:sc= -1.84 F(o=-2.8!,f=-1.8) USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 SER OG : rot -51:sc= -0.14 USER MOD Single : B 24 CYS SG : rot 160:sc= -5.27! USER MOD Single : B 26 THR OG1 : rot 80:sc= 1.25 USER MOD Single : B 27 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : B 31 LYS NZ :NH3+ -168:sc= -0.0433 (180deg=-0.251) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 ASN : amide:sc= -1.57 K(o=-1.6,f=-4.4!) USER MOD Single : B 36 LYS NZ :NH3+ -124:sc= 0.26 (180deg=-2.5!) USER MOD Single : B 41 HIS : no HD1:sc= -0.375 X(o=-0.38,f=-0.64) USER MOD Single : B 43 LYS NZ :NH3+ -166:sc= -0.0158 (180deg=-0.34) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 170:sc= -0.0246 (180deg=-0.146) USER MOD Single : B 49 LYS NZ :NH3+ 167:sc= -0.0317 (180deg=-0.252) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 ASN :FLIP amide:sc= -0.0294 F(o=-1.5,f=-0.029) USER MOD Single : B 53 THR OG1 : rot 180:sc= -0.911 USER MOD Single : B 56 CYS SG : rot 26:sc= -2.11! USER MOD Single : B 65 TYR OH : rot 180:sc= -2.41 USER MOD Single : B 67 THR OG1 : rot 180:sc= -1.75 USER MOD Single : B 68 HIS : no HD1:sc= -0.219 K(o=-0.22,f=-2.2) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 HIS : no HE2:sc= -1.33 K(o=-1.3,f=-9!) USER MOD Single : B 75 TYR OH : rot 72:sc= 0.602 USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 GLN : amide:sc= 0.552 K(o=0.55,f=-3.7!) USER MOD Single : B 87 LYS NZ :NH3+ -167:sc= 0.372 (180deg=0.307) USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 6 SER OG : rot 27:sc= 0.0612 USER MOD Single : D 1 MET CE :methyl 157:sc= -0.28 (180deg=-1.05) USER MOD Single : D 2 SER OG : rot -19:sc= 0.674 USER MOD Single : D 3 CYS SG : rot -44:sc= 0.111 USER MOD Single : D 6 SER OG : rot 180:sc= 0 USER MOD Single : D 8 GLN :FLIP amide:sc= -2.41 F(o=-3.4!,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.206 2.802 11.686 1.00 0.00 N ATOM 2 CA MET A 1 -26.087 2.973 10.724 1.00 0.00 C ATOM 3 C MET A 1 -24.941 2.017 11.042 1.00 0.00 C ATOM 4 O MET A 1 -24.394 1.367 10.151 1.00 0.00 O ATOM 5 CB MET A 1 -25.601 4.424 10.803 1.00 0.00 C ATOM 6 CG MET A 1 -24.463 4.757 9.846 1.00 0.00 C ATOM 7 SD MET A 1 -24.993 4.909 8.126 1.00 0.00 S ATOM 8 CE MET A 1 -25.333 3.204 7.699 1.00 0.00 C ATOM 0 H1 MET A 1 -27.999 3.414 11.408 1.00 0.00 H new ATOM 0 H2 MET A 1 -27.517 1.810 11.684 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.886 3.062 12.641 1.00 0.00 H new ATOM 0 HA MET A 1 -26.436 2.745 9.717 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.440 5.088 10.596 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.275 4.631 11.822 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.997 5.691 10.159 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.700 3.981 9.916 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.216 3.068 6.624 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.637 2.551 8.225 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.354 2.953 7.987 1.00 0.00 H new ATOM 20 N CYS A 2 -24.585 1.933 12.321 1.00 0.00 N ATOM 21 CA CYS A 2 -23.506 1.054 12.757 1.00 0.00 C ATOM 22 C CYS A 2 -22.182 1.459 12.114 1.00 0.00 C ATOM 23 O CYS A 2 -21.454 0.618 11.585 1.00 0.00 O ATOM 24 CB CYS A 2 -23.834 -0.401 12.411 1.00 0.00 C ATOM 25 SG CYS A 2 -25.344 -1.021 13.187 1.00 0.00 S ATOM 0 H CYS A 2 -25.028 2.462 13.072 1.00 0.00 H new ATOM 0 HA CYS A 2 -23.407 1.148 13.838 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -23.930 -0.493 11.329 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -22.998 -1.032 12.712 1.00 0.00 H new ATOM 0 HG CYS A 2 -25.538 -2.257 12.833 1.00 0.00 H new ATOM 31 N ASP A 3 -21.880 2.756 12.161 1.00 0.00 N ATOM 32 CA ASP A 3 -20.646 3.292 11.587 1.00 0.00 C ATOM 33 C ASP A 3 -20.363 2.671 10.211 1.00 0.00 C ATOM 34 O ASP A 3 -21.280 2.494 9.411 1.00 0.00 O ATOM 35 CB ASP A 3 -19.467 3.083 12.550 1.00 0.00 C ATOM 36 CG ASP A 3 -19.157 1.619 12.807 1.00 0.00 C ATOM 37 OD1 ASP A 3 -19.964 0.948 13.480 1.00 0.00 O ATOM 38 OD2 ASP A 3 -18.104 1.146 12.331 1.00 0.00 O ATOM 0 H ASP A 3 -22.478 3.460 12.594 1.00 0.00 H new ATOM 0 HA ASP A 3 -20.774 4.365 11.441 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -18.581 3.569 12.141 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -19.689 3.573 13.498 1.00 0.00 H new ATOM 43 N ARG A 4 -19.101 2.338 9.935 1.00 0.00 N ATOM 44 CA ARG A 4 -18.735 1.742 8.654 1.00 0.00 C ATOM 45 C ARG A 4 -19.043 2.705 7.511 1.00 0.00 C ATOM 46 O ARG A 4 -19.635 2.323 6.501 1.00 0.00 O ATOM 47 CB ARG A 4 -19.487 0.424 8.452 1.00 0.00 C ATOM 48 CG ARG A 4 -18.988 -0.387 7.269 1.00 0.00 C ATOM 49 CD ARG A 4 -17.538 -0.798 7.457 1.00 0.00 C ATOM 50 NE ARG A 4 -17.358 -1.633 8.643 1.00 0.00 N ATOM 51 CZ ARG A 4 -16.173 -2.051 9.081 1.00 0.00 C ATOM 52 NH1 ARG A 4 -15.060 -1.686 8.460 1.00 0.00 N ATOM 53 NH2 ARG A 4 -16.101 -2.829 10.153 1.00 0.00 N ATOM 0 H ARG A 4 -18.321 2.471 10.579 1.00 0.00 H new ATOM 0 HA ARG A 4 -17.664 1.540 8.658 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -19.398 -0.177 9.357 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -20.547 0.638 8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -19.608 -1.275 7.147 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -19.087 0.199 6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -17.197 -1.341 6.575 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -16.916 0.093 7.543 1.00 0.00 H new ATOM 0 HE ARG A 4 -18.189 -1.911 9.165 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.108 -1.081 7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -14.155 -2.011 8.802 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -16.953 -3.106 10.640 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.193 -3.150 10.490 1.00 0.00 H new ATOM 67 N LYS A 5 -18.644 3.960 7.684 1.00 0.00 N ATOM 68 CA LYS A 5 -18.882 4.988 6.675 1.00 0.00 C ATOM 69 C LYS A 5 -17.691 5.134 5.734 1.00 0.00 C ATOM 70 O LYS A 5 -16.543 5.208 6.173 1.00 0.00 O ATOM 71 CB LYS A 5 -19.182 6.329 7.348 1.00 0.00 C ATOM 72 CG LYS A 5 -20.405 6.294 8.252 1.00 0.00 C ATOM 73 CD LYS A 5 -21.653 5.891 7.485 1.00 0.00 C ATOM 74 CE LYS A 5 -21.955 6.865 6.356 1.00 0.00 C ATOM 75 NZ LYS A 5 -22.179 8.248 6.861 1.00 0.00 N ATOM 0 H LYS A 5 -18.153 4.291 8.515 1.00 0.00 H new ATOM 0 HA LYS A 5 -19.744 4.679 6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -18.315 6.634 7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -19.330 7.087 6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -20.236 5.592 9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -20.554 7.275 8.702 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -21.522 4.889 7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -22.502 5.849 8.167 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -21.127 6.867 5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -22.839 6.529 5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -22.578 8.835 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -22.842 8.222 7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -21.274 8.654 7.174 1.00 0.00 H new ATOM 89 N ALA A 6 -17.976 5.183 4.437 1.00 0.00 N ATOM 90 CA ALA A 6 -16.938 5.331 3.425 1.00 0.00 C ATOM 91 C ALA A 6 -16.432 6.768 3.364 1.00 0.00 C ATOM 92 O ALA A 6 -17.184 7.715 3.591 1.00 0.00 O ATOM 93 CB ALA A 6 -17.464 4.897 2.065 1.00 0.00 C ATOM 0 H ALA A 6 -18.922 5.122 4.061 1.00 0.00 H new ATOM 0 HA ALA A 6 -16.101 4.690 3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -16.679 5.012 1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -17.771 3.852 2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -18.319 5.515 1.791 1.00 0.00 H new ATOM 99 N VAL A 7 -15.150 6.920 3.050 1.00 0.00 N ATOM 100 CA VAL A 7 -14.533 8.238 2.951 1.00 0.00 C ATOM 101 C VAL A 7 -13.516 8.264 1.818 1.00 0.00 C ATOM 102 O VAL A 7 -12.328 8.018 2.028 1.00 0.00 O ATOM 103 CB VAL A 7 -13.837 8.636 4.268 1.00 0.00 C ATOM 104 CG1 VAL A 7 -13.271 10.045 4.177 1.00 0.00 C ATOM 105 CG2 VAL A 7 -14.802 8.514 5.439 1.00 0.00 C ATOM 0 H VAL A 7 -14.516 6.144 2.859 1.00 0.00 H new ATOM 0 HA VAL A 7 -15.328 8.955 2.748 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.006 7.951 4.437 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.785 10.303 5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.543 10.093 3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -14.079 10.750 3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.294 8.799 6.360 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.656 9.172 5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.148 7.484 5.519 1.00 0.00 H new ATOM 115 N ILE A 8 -13.994 8.554 0.613 1.00 0.00 N ATOM 116 CA ILE A 8 -13.132 8.602 -0.561 1.00 0.00 C ATOM 117 C ILE A 8 -12.085 9.704 -0.439 1.00 0.00 C ATOM 118 O ILE A 8 -12.406 10.858 -0.156 1.00 0.00 O ATOM 119 CB ILE A 8 -13.948 8.801 -1.860 1.00 0.00 C ATOM 120 CG1 ILE A 8 -14.802 7.563 -2.157 1.00 0.00 C ATOM 121 CG2 ILE A 8 -13.030 9.098 -3.039 1.00 0.00 C ATOM 122 CD1 ILE A 8 -15.843 7.264 -1.100 1.00 0.00 C ATOM 0 H ILE A 8 -14.975 8.760 0.424 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.623 7.639 -0.615 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.609 9.655 -1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -15.302 7.701 -3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.146 6.699 -2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.628 9.234 -3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.463 10.007 -2.839 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.341 8.266 -3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -16.405 6.374 -1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -15.351 7.092 -0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -16.524 8.110 -1.011 1.00 0.00 H new ATOM 134 N LYS A 9 -10.830 9.333 -0.669 1.00 0.00 N ATOM 135 CA LYS A 9 -9.720 10.276 -0.602 1.00 0.00 C ATOM 136 C LYS A 9 -9.074 10.409 -1.973 1.00 0.00 C ATOM 137 O LYS A 9 -8.768 11.511 -2.427 1.00 0.00 O ATOM 138 CB LYS A 9 -8.680 9.804 0.415 1.00 0.00 C ATOM 139 CG LYS A 9 -9.255 9.443 1.777 1.00 0.00 C ATOM 140 CD LYS A 9 -9.499 10.667 2.652 1.00 0.00 C ATOM 141 CE LYS A 9 -10.575 11.575 2.082 1.00 0.00 C ATOM 142 NZ LYS A 9 -10.944 12.662 3.031 1.00 0.00 N ATOM 0 H LYS A 9 -10.555 8.379 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.104 11.246 -0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.162 8.935 0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.934 10.588 0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.193 8.905 1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.571 8.766 2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.790 10.345 3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.570 11.228 2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.223 12.013 1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.460 10.985 1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.681 13.260 2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.304 12.245 3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.106 13.241 3.238 1.00 0.00 H new ATOM 156 N ASN A 10 -8.877 9.270 -2.630 1.00 0.00 N ATOM 157 CA ASN A 10 -8.275 9.237 -3.956 1.00 0.00 C ATOM 158 C ASN A 10 -9.048 8.305 -4.872 1.00 0.00 C ATOM 159 O ASN A 10 -9.517 7.248 -4.451 1.00 0.00 O ATOM 160 CB ASN A 10 -6.810 8.800 -3.878 1.00 0.00 C ATOM 161 CG ASN A 10 -5.867 9.908 -3.424 1.00 0.00 C ATOM 162 OD1 ASN A 10 -6.374 11.134 -3.301 1.00 0.00 O flip ATOM 163 ND2 ASN A 10 -4.682 9.663 -3.199 1.00 0.00 N flip ATOM 0 H ASN A 10 -9.128 8.353 -2.261 1.00 0.00 H new ATOM 0 HA ASN A 10 -8.315 10.245 -4.368 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.727 7.959 -3.190 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.493 8.443 -4.858 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.329 8.712 -3.304 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.053 10.411 -2.908 1.00 0.00 H new ATOM 170 N ALA A 11 -9.182 8.710 -6.124 1.00 0.00 N ATOM 171 CA ALA A 11 -9.907 7.913 -7.103 1.00 0.00 C ATOM 172 C ALA A 11 -9.505 8.276 -8.526 1.00 0.00 C ATOM 173 O ALA A 11 -9.452 9.449 -8.892 1.00 0.00 O ATOM 174 CB ALA A 11 -11.406 8.089 -6.918 1.00 0.00 C ATOM 0 H ALA A 11 -8.800 9.583 -6.487 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.647 6.867 -6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.937 7.488 -7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.689 7.767 -5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.668 9.139 -7.049 1.00 0.00 H new ATOM 180 N ASP A 12 -9.227 7.251 -9.321 1.00 0.00 N ATOM 181 CA ASP A 12 -8.829 7.437 -10.714 1.00 0.00 C ATOM 182 C ASP A 12 -9.272 6.248 -11.558 1.00 0.00 C ATOM 183 O ASP A 12 -8.450 5.445 -12.004 1.00 0.00 O ATOM 184 CB ASP A 12 -7.314 7.629 -10.830 1.00 0.00 C ATOM 185 CG ASP A 12 -6.823 8.878 -10.123 1.00 0.00 C ATOM 186 OD1 ASP A 12 -6.944 8.948 -8.882 1.00 0.00 O ATOM 187 OD2 ASP A 12 -6.317 9.789 -10.813 1.00 0.00 O ATOM 0 H ASP A 12 -9.270 6.276 -9.024 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.319 8.337 -11.087 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.809 6.758 -10.412 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.039 7.682 -11.883 1.00 0.00 H new ATOM 192 N MET A 13 -10.581 6.134 -11.760 1.00 0.00 N ATOM 193 CA MET A 13 -11.143 5.036 -12.532 1.00 0.00 C ATOM 194 C MET A 13 -12.646 5.223 -12.726 1.00 0.00 C ATOM 195 O MET A 13 -13.265 6.053 -12.061 1.00 0.00 O ATOM 196 CB MET A 13 -10.852 3.713 -11.824 1.00 0.00 C ATOM 197 CG MET A 13 -11.303 3.690 -10.374 1.00 0.00 C ATOM 198 SD MET A 13 -10.451 2.436 -9.398 1.00 0.00 S ATOM 199 CE MET A 13 -10.756 0.976 -10.381 1.00 0.00 C ATOM 0 H MET A 13 -11.272 6.791 -11.398 1.00 0.00 H new ATOM 0 HA MET A 13 -10.679 5.023 -13.518 1.00 0.00 H new ATOM 0 HB2 MET A 13 -11.347 2.905 -12.363 1.00 0.00 H new ATOM 0 HB3 MET A 13 -9.781 3.515 -11.866 1.00 0.00 H new ATOM 0 HG2 MET A 13 -11.130 4.670 -9.929 1.00 0.00 H new ATOM 0 HG3 MET A 13 -12.377 3.507 -10.335 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.173 0.192 -9.749 1.00 0.00 H new ATOM 0 HE2 MET A 13 -11.461 1.214 -11.177 1.00 0.00 H new ATOM 0 HE3 MET A 13 -9.819 0.629 -10.818 1.00 0.00 H new ATOM 209 N SER A 14 -13.224 4.455 -13.649 1.00 0.00 N ATOM 210 CA SER A 14 -14.655 4.540 -13.944 1.00 0.00 C ATOM 211 C SER A 14 -15.484 4.641 -12.665 1.00 0.00 C ATOM 212 O SER A 14 -15.215 3.947 -11.685 1.00 0.00 O ATOM 213 CB SER A 14 -15.100 3.322 -14.755 1.00 0.00 C ATOM 214 OG SER A 14 -16.484 3.386 -15.055 1.00 0.00 O ATOM 0 H SER A 14 -12.722 3.765 -14.207 1.00 0.00 H new ATOM 0 HA SER A 14 -14.820 5.445 -14.528 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.526 3.268 -15.680 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.888 2.411 -14.195 1.00 0.00 H new ATOM 0 HG SER A 14 -16.743 2.597 -15.575 1.00 0.00 H new ATOM 220 N GLU A 15 -16.487 5.517 -12.682 1.00 0.00 N ATOM 221 CA GLU A 15 -17.353 5.720 -11.522 1.00 0.00 C ATOM 222 C GLU A 15 -17.918 4.399 -11.013 1.00 0.00 C ATOM 223 O GLU A 15 -17.853 4.109 -9.819 1.00 0.00 O ATOM 224 CB GLU A 15 -18.492 6.684 -11.870 1.00 0.00 C ATOM 225 CG GLU A 15 -19.377 6.202 -13.009 1.00 0.00 C ATOM 226 CD GLU A 15 -20.459 7.201 -13.370 1.00 0.00 C ATOM 227 OE1 GLU A 15 -20.523 8.269 -12.726 1.00 0.00 O ATOM 228 OE2 GLU A 15 -21.246 6.914 -14.298 1.00 0.00 O ATOM 0 H GLU A 15 -16.720 6.098 -13.487 1.00 0.00 H new ATOM 0 HA GLU A 15 -16.749 6.156 -10.726 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -19.108 6.839 -10.984 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -18.068 7.652 -12.136 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.760 6.008 -13.886 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -19.840 5.256 -12.729 1.00 0.00 H new ATOM 235 N GLU A 16 -18.465 3.600 -11.917 1.00 0.00 N ATOM 236 CA GLU A 16 -19.029 2.311 -11.539 1.00 0.00 C ATOM 237 C GLU A 16 -17.950 1.408 -10.958 1.00 0.00 C ATOM 238 O GLU A 16 -18.193 0.658 -10.012 1.00 0.00 O ATOM 239 CB GLU A 16 -19.684 1.639 -12.748 1.00 0.00 C ATOM 240 CG GLU A 16 -20.305 0.288 -12.431 1.00 0.00 C ATOM 241 CD GLU A 16 -20.948 -0.356 -13.644 1.00 0.00 C ATOM 242 OE1 GLU A 16 -20.230 -0.606 -14.634 1.00 0.00 O ATOM 243 OE2 GLU A 16 -22.170 -0.611 -13.602 1.00 0.00 O ATOM 0 H GLU A 16 -18.531 3.818 -12.911 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.791 2.479 -10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.454 2.299 -13.147 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.937 1.511 -13.531 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.537 -0.377 -12.035 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -21.054 0.411 -11.649 1.00 0.00 H new ATOM 250 N MET A 17 -16.757 1.488 -11.532 1.00 0.00 N ATOM 251 CA MET A 17 -15.634 0.683 -11.079 1.00 0.00 C ATOM 252 C MET A 17 -15.213 1.093 -9.668 1.00 0.00 C ATOM 253 O MET A 17 -15.038 0.243 -8.792 1.00 0.00 O ATOM 254 CB MET A 17 -14.463 0.824 -12.055 1.00 0.00 C ATOM 255 CG MET A 17 -13.381 -0.229 -11.881 1.00 0.00 C ATOM 256 SD MET A 17 -12.192 -0.218 -13.238 1.00 0.00 S ATOM 257 CE MET A 17 -13.264 -0.566 -14.629 1.00 0.00 C ATOM 0 H MET A 17 -16.543 2.105 -12.315 1.00 0.00 H new ATOM 0 HA MET A 17 -15.941 -0.363 -11.049 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.845 0.772 -13.074 1.00 0.00 H new ATOM 0 HB3 MET A 17 -14.018 1.811 -11.932 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.857 -0.057 -10.941 1.00 0.00 H new ATOM 0 HG3 MET A 17 -13.843 -1.214 -11.813 1.00 0.00 H new ATOM 0 HE1 MET A 17 -12.833 -1.367 -15.229 1.00 0.00 H new ATOM 0 HE2 MET A 17 -14.245 -0.873 -14.265 1.00 0.00 H new ATOM 0 HE3 MET A 17 -13.368 0.330 -15.241 1.00 0.00 H new ATOM 267 N GLN A 18 -15.066 2.399 -9.443 1.00 0.00 N ATOM 268 CA GLN A 18 -14.680 2.901 -8.128 1.00 0.00 C ATOM 269 C GLN A 18 -15.795 2.674 -7.113 1.00 0.00 C ATOM 270 O GLN A 18 -15.536 2.310 -5.964 1.00 0.00 O ATOM 271 CB GLN A 18 -14.312 4.383 -8.199 1.00 0.00 C ATOM 272 CG GLN A 18 -15.398 5.258 -8.795 1.00 0.00 C ATOM 273 CD GLN A 18 -14.948 6.694 -8.968 1.00 0.00 C ATOM 274 OE1 GLN A 18 -14.738 7.099 -10.213 1.00 0.00 O flip ATOM 275 NE2 GLN A 18 -14.768 7.423 -7.991 1.00 0.00 N flip ATOM 0 H GLN A 18 -15.207 3.122 -10.149 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.801 2.346 -7.800 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.083 4.739 -7.195 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.404 4.494 -8.791 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.697 4.854 -9.762 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.278 5.230 -8.152 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.943 7.068 -7.051 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.444 8.381 -8.122 1.00 0.00 H new ATOM 284 N GLN A 19 -17.036 2.858 -7.547 1.00 0.00 N ATOM 285 CA GLN A 19 -18.181 2.640 -6.678 1.00 0.00 C ATOM 286 C GLN A 19 -18.282 1.161 -6.362 1.00 0.00 C ATOM 287 O GLN A 19 -18.637 0.769 -5.251 1.00 0.00 O ATOM 288 CB GLN A 19 -19.470 3.138 -7.332 1.00 0.00 C ATOM 289 CG GLN A 19 -19.540 4.652 -7.462 1.00 0.00 C ATOM 290 CD GLN A 19 -19.512 5.353 -6.119 1.00 0.00 C ATOM 291 OE1 GLN A 19 -20.388 5.145 -5.279 1.00 0.00 O ATOM 292 NE2 GLN A 19 -18.502 6.190 -5.909 1.00 0.00 N ATOM 0 H GLN A 19 -17.273 3.157 -8.493 1.00 0.00 H new ATOM 0 HA GLN A 19 -18.043 3.204 -5.756 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -19.561 2.692 -8.322 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -20.322 2.792 -6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -18.703 5.000 -8.067 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -20.452 4.926 -7.992 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.798 6.332 -6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -18.430 6.691 -5.023 1.00 0.00 H new ATOM 301 N ASP A 20 -17.937 0.340 -7.350 1.00 0.00 N ATOM 302 CA ASP A 20 -17.959 -1.099 -7.178 1.00 0.00 C ATOM 303 C ASP A 20 -17.008 -1.486 -6.054 1.00 0.00 C ATOM 304 O ASP A 20 -17.313 -2.352 -5.235 1.00 0.00 O ATOM 305 CB ASP A 20 -17.565 -1.807 -8.475 1.00 0.00 C ATOM 306 CG ASP A 20 -17.595 -3.319 -8.343 1.00 0.00 C ATOM 307 OD1 ASP A 20 -17.915 -3.813 -7.241 1.00 0.00 O ATOM 308 OD2 ASP A 20 -17.297 -4.009 -9.340 1.00 0.00 O ATOM 0 H ASP A 20 -17.640 0.652 -8.275 1.00 0.00 H new ATOM 0 HA ASP A 20 -18.971 -1.410 -6.920 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.242 -1.501 -9.272 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -16.564 -1.491 -8.768 1.00 0.00 H new ATOM 313 N SER A 21 -15.860 -0.815 -6.016 1.00 0.00 N ATOM 314 CA SER A 21 -14.861 -1.061 -4.984 1.00 0.00 C ATOM 315 C SER A 21 -15.413 -0.680 -3.618 1.00 0.00 C ATOM 316 O SER A 21 -15.186 -1.374 -2.629 1.00 0.00 O ATOM 317 CB SER A 21 -13.587 -0.266 -5.274 1.00 0.00 C ATOM 318 OG SER A 21 -12.612 -0.481 -4.270 1.00 0.00 O ATOM 0 H SER A 21 -15.600 -0.095 -6.690 1.00 0.00 H new ATOM 0 HA SER A 21 -14.617 -2.123 -4.984 1.00 0.00 H new ATOM 0 HB2 SER A 21 -13.185 -0.559 -6.244 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.823 0.796 -5.334 1.00 0.00 H new ATOM 0 HG SER A 21 -11.807 0.037 -4.479 1.00 0.00 H new ATOM 324 N VAL A 22 -16.148 0.429 -3.574 1.00 0.00 N ATOM 325 CA VAL A 22 -16.747 0.903 -2.332 1.00 0.00 C ATOM 326 C VAL A 22 -17.683 -0.149 -1.753 1.00 0.00 C ATOM 327 O VAL A 22 -17.660 -0.429 -0.555 1.00 0.00 O ATOM 328 CB VAL A 22 -17.515 2.224 -2.548 1.00 0.00 C ATOM 329 CG1 VAL A 22 -18.172 2.687 -1.256 1.00 0.00 C ATOM 330 CG2 VAL A 22 -16.583 3.296 -3.089 1.00 0.00 C ATOM 0 H VAL A 22 -16.342 1.015 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.937 1.088 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 22 -18.302 2.046 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.707 3.620 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -18.873 1.927 -0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -17.407 2.847 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.140 4.222 -3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.775 3.468 -2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.166 2.968 -4.041 1.00 0.00 H new ATOM 340 N GLU A 23 -18.487 -0.742 -2.620 1.00 0.00 N ATOM 341 CA GLU A 23 -19.417 -1.785 -2.211 1.00 0.00 C ATOM 342 C GLU A 23 -18.657 -3.079 -1.980 1.00 0.00 C ATOM 343 O GLU A 23 -18.982 -3.858 -1.086 1.00 0.00 O ATOM 344 CB GLU A 23 -20.499 -1.988 -3.274 1.00 0.00 C ATOM 345 CG GLU A 23 -21.327 -0.744 -3.544 1.00 0.00 C ATOM 346 CD GLU A 23 -22.392 -0.969 -4.599 1.00 0.00 C ATOM 347 OE1 GLU A 23 -23.261 -1.841 -4.389 1.00 0.00 O ATOM 348 OE2 GLU A 23 -22.355 -0.273 -5.636 1.00 0.00 O ATOM 0 H GLU A 23 -18.515 -0.519 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 23 -19.904 -1.483 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -20.028 -2.310 -4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -21.161 -2.793 -2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -21.801 -0.420 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -20.669 0.063 -3.864 1.00 0.00 H new ATOM 355 N CYS A 24 -17.629 -3.291 -2.794 1.00 0.00 N ATOM 356 CA CYS A 24 -16.800 -4.476 -2.682 1.00 0.00 C ATOM 357 C CYS A 24 -16.048 -4.466 -1.358 1.00 0.00 C ATOM 358 O CYS A 24 -15.821 -5.511 -0.752 1.00 0.00 O ATOM 359 CB CYS A 24 -15.813 -4.552 -3.848 1.00 0.00 C ATOM 360 SG CYS A 24 -14.767 -6.027 -3.833 1.00 0.00 S ATOM 0 H CYS A 24 -17.353 -2.653 -3.540 1.00 0.00 H new ATOM 0 HA CYS A 24 -17.444 -5.354 -2.716 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -16.370 -4.524 -4.784 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.176 -3.668 -3.830 1.00 0.00 H new ATOM 0 HG CYS A 24 -14.459 -6.353 -5.053 1.00 0.00 H new ATOM 366 N ALA A 25 -15.678 -3.269 -0.909 1.00 0.00 N ATOM 367 CA ALA A 25 -14.970 -3.117 0.348 1.00 0.00 C ATOM 368 C ALA A 25 -15.940 -3.228 1.509 1.00 0.00 C ATOM 369 O ALA A 25 -15.670 -3.904 2.499 1.00 0.00 O ATOM 370 CB ALA A 25 -14.237 -1.785 0.386 1.00 0.00 C ATOM 0 H ALA A 25 -15.859 -2.394 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 25 -14.232 -3.915 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -13.711 -1.686 1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.519 -1.741 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.955 -0.971 0.283 1.00 0.00 H new ATOM 376 N THR A 26 -17.082 -2.567 1.369 1.00 0.00 N ATOM 377 CA THR A 26 -18.106 -2.597 2.399 1.00 0.00 C ATOM 378 C THR A 26 -18.575 -4.027 2.628 1.00 0.00 C ATOM 379 O THR A 26 -18.605 -4.515 3.759 1.00 0.00 O ATOM 380 CB THR A 26 -19.288 -1.708 2.006 1.00 0.00 C ATOM 381 OG1 THR A 26 -18.867 -0.370 1.819 1.00 0.00 O ATOM 382 CG2 THR A 26 -20.400 -1.700 3.033 1.00 0.00 C ATOM 0 H THR A 26 -17.320 -2.005 0.552 1.00 0.00 H new ATOM 0 HA THR A 26 -17.679 -2.213 3.326 1.00 0.00 H new ATOM 0 HB THR A 26 -19.674 -2.134 1.080 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.403 -0.290 0.959 1.00 0.00 H new ATOM 0 HG21 THR A 26 -21.206 -1.050 2.692 1.00 0.00 H new ATOM 0 HG22 THR A 26 -20.781 -2.713 3.164 1.00 0.00 H new ATOM 0 HG23 THR A 26 -20.015 -1.331 3.984 1.00 0.00 H new ATOM 390 N GLN A 27 -18.927 -4.697 1.538 1.00 0.00 N ATOM 391 CA GLN A 27 -19.380 -6.080 1.605 1.00 0.00 C ATOM 392 C GLN A 27 -18.249 -6.989 2.070 1.00 0.00 C ATOM 393 O GLN A 27 -18.460 -7.912 2.854 1.00 0.00 O ATOM 394 CB GLN A 27 -19.897 -6.539 0.239 1.00 0.00 C ATOM 395 CG GLN A 27 -21.119 -5.773 -0.239 1.00 0.00 C ATOM 396 CD GLN A 27 -22.303 -5.920 0.698 1.00 0.00 C ATOM 397 OE1 GLN A 27 -22.782 -7.028 0.941 1.00 0.00 O ATOM 398 NE2 GLN A 27 -22.781 -4.801 1.228 1.00 0.00 N ATOM 0 H GLN A 27 -18.907 -4.305 0.597 1.00 0.00 H new ATOM 0 HA GLN A 27 -20.195 -6.140 2.326 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -19.100 -6.430 -0.497 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -20.141 -7.600 0.290 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -20.866 -4.717 -0.336 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -21.400 -6.126 -1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -22.352 -3.904 0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -23.577 -4.838 1.865 1.00 0.00 H new ATOM 407 N ALA A 28 -17.046 -6.716 1.584 1.00 0.00 N ATOM 408 CA ALA A 28 -15.877 -7.505 1.954 1.00 0.00 C ATOM 409 C ALA A 28 -15.649 -7.469 3.462 1.00 0.00 C ATOM 410 O ALA A 28 -15.389 -8.498 4.086 1.00 0.00 O ATOM 411 CB ALA A 28 -14.644 -6.995 1.221 1.00 0.00 C ATOM 0 H ALA A 28 -16.853 -5.955 0.933 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.058 -8.540 1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.778 -7.593 1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -14.801 -7.074 0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -14.468 -5.952 1.486 1.00 0.00 H new ATOM 417 N LEU A 29 -15.745 -6.275 4.041 1.00 0.00 N ATOM 418 CA LEU A 29 -15.544 -6.096 5.477 1.00 0.00 C ATOM 419 C LEU A 29 -16.588 -6.854 6.288 1.00 0.00 C ATOM 420 O LEU A 29 -16.256 -7.534 7.258 1.00 0.00 O ATOM 421 CB LEU A 29 -15.571 -4.609 5.835 1.00 0.00 C ATOM 422 CG LEU A 29 -14.396 -3.792 5.286 1.00 0.00 C ATOM 423 CD1 LEU A 29 -14.583 -2.313 5.586 1.00 0.00 C ATOM 424 CD2 LEU A 29 -13.080 -4.293 5.867 1.00 0.00 C ATOM 0 H LEU A 29 -15.961 -5.415 3.537 1.00 0.00 H new ATOM 0 HA LEU A 29 -14.566 -6.506 5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -16.500 -4.177 5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -15.587 -4.512 6.921 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.366 -3.920 4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.738 -1.751 5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.504 -1.961 5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.641 -2.165 6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.257 -3.702 5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -13.101 -4.197 6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.939 -5.340 5.599 1.00 0.00 H new ATOM 436 N GLU A 30 -17.847 -6.737 5.893 1.00 0.00 N ATOM 437 CA GLU A 30 -18.924 -7.421 6.599 1.00 0.00 C ATOM 438 C GLU A 30 -18.803 -8.938 6.458 1.00 0.00 C ATOM 439 O GLU A 30 -19.299 -9.686 7.301 1.00 0.00 O ATOM 440 CB GLU A 30 -20.298 -6.929 6.123 1.00 0.00 C ATOM 441 CG GLU A 30 -20.519 -7.014 4.620 1.00 0.00 C ATOM 442 CD GLU A 30 -20.829 -8.419 4.138 1.00 0.00 C ATOM 443 OE1 GLU A 30 -20.944 -9.330 4.983 1.00 0.00 O ATOM 444 OE2 GLU A 30 -20.974 -8.604 2.912 1.00 0.00 O ATOM 0 H GLU A 30 -18.148 -6.180 5.094 1.00 0.00 H new ATOM 0 HA GLU A 30 -18.832 -7.179 7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -21.071 -7.512 6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -20.427 -5.893 6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -21.340 -6.353 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.629 -6.650 4.108 1.00 0.00 H new ATOM 451 N LYS A 31 -18.131 -9.391 5.399 1.00 0.00 N ATOM 452 CA LYS A 31 -17.945 -10.820 5.174 1.00 0.00 C ATOM 453 C LYS A 31 -16.801 -11.355 6.020 1.00 0.00 C ATOM 454 O LYS A 31 -16.954 -12.344 6.736 1.00 0.00 O ATOM 455 CB LYS A 31 -17.675 -11.108 3.695 1.00 0.00 C ATOM 456 CG LYS A 31 -18.889 -10.915 2.802 1.00 0.00 C ATOM 457 CD LYS A 31 -18.555 -11.179 1.343 1.00 0.00 C ATOM 458 CE LYS A 31 -19.770 -10.991 0.450 1.00 0.00 C ATOM 459 NZ LYS A 31 -20.878 -11.916 0.816 1.00 0.00 N ATOM 0 H LYS A 31 -17.710 -8.792 4.689 1.00 0.00 H new ATOM 0 HA LYS A 31 -18.865 -11.325 5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.873 -10.457 3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -17.320 -12.133 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -19.687 -11.586 3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -19.265 -9.898 2.912 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.760 -10.506 1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.176 -12.195 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -20.118 -9.961 0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.486 -11.158 -0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -21.586 -11.929 0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.499 -12.875 0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -21.324 -11.591 1.697 1.00 0.00 H new ATOM 473 N TYR A 32 -15.652 -10.697 5.931 1.00 0.00 N ATOM 474 CA TYR A 32 -14.482 -11.115 6.692 1.00 0.00 C ATOM 475 C TYR A 32 -14.170 -10.124 7.809 1.00 0.00 C ATOM 476 O TYR A 32 -14.259 -8.913 7.619 1.00 0.00 O ATOM 477 CB TYR A 32 -13.270 -11.273 5.773 1.00 0.00 C ATOM 478 CG TYR A 32 -13.529 -12.156 4.573 1.00 0.00 C ATOM 479 CD1 TYR A 32 -14.406 -11.760 3.571 1.00 0.00 C ATOM 480 CD2 TYR A 32 -12.900 -13.388 4.444 1.00 0.00 C ATOM 481 CE1 TYR A 32 -14.647 -12.565 2.474 1.00 0.00 C ATOM 482 CE2 TYR A 32 -13.134 -14.198 3.349 1.00 0.00 C ATOM 483 CZ TYR A 32 -14.008 -13.782 2.367 1.00 0.00 C ATOM 484 OH TYR A 32 -14.244 -14.585 1.276 1.00 0.00 O ATOM 0 H TYR A 32 -15.506 -9.876 5.343 1.00 0.00 H new ATOM 0 HA TYR A 32 -14.707 -12.080 7.145 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -12.956 -10.288 5.427 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -12.442 -11.688 6.347 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -14.908 -10.807 3.651 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -12.217 -13.718 5.212 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -15.332 -12.242 1.704 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.635 -15.152 3.263 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.715 -15.406 1.354 1.00 0.00 H new ATOM 494 N ASN A 33 -13.809 -10.648 8.976 1.00 0.00 N ATOM 495 CA ASN A 33 -13.490 -9.809 10.127 1.00 0.00 C ATOM 496 C ASN A 33 -11.991 -9.539 10.224 1.00 0.00 C ATOM 497 O ASN A 33 -11.452 -9.386 11.319 1.00 0.00 O ATOM 498 CB ASN A 33 -13.982 -10.469 11.418 1.00 0.00 C ATOM 499 CG ASN A 33 -15.495 -10.660 11.471 1.00 0.00 C ATOM 500 OD1 ASN A 33 -16.215 -10.165 10.464 1.00 0.00 O flip ATOM 501 ND2 ASN A 33 -16.015 -11.244 12.421 1.00 0.00 N flip ATOM 0 H ASN A 33 -13.730 -11.650 9.150 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.999 -8.855 9.991 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.498 -11.440 11.527 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -13.671 -9.861 12.268 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.433 -11.610 13.175 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.028 -11.362 12.455 1.00 0.00 H new ATOM 508 N ILE A 34 -11.325 -9.467 9.075 1.00 0.00 N ATOM 509 CA ILE A 34 -9.895 -9.202 9.038 1.00 0.00 C ATOM 510 C ILE A 34 -9.496 -8.560 7.713 1.00 0.00 C ATOM 511 O ILE A 34 -9.686 -9.135 6.642 1.00 0.00 O ATOM 512 CB ILE A 34 -9.072 -10.490 9.267 1.00 0.00 C ATOM 513 CG1 ILE A 34 -9.202 -10.949 10.720 1.00 0.00 C ATOM 514 CG2 ILE A 34 -7.607 -10.272 8.912 1.00 0.00 C ATOM 515 CD1 ILE A 34 -8.717 -9.920 11.722 1.00 0.00 C ATOM 0 H ILE A 34 -11.755 -9.589 8.158 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.675 -8.508 9.849 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.468 -11.267 8.613 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.246 -11.183 10.927 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.636 -11.871 10.854 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.050 -11.194 9.082 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.525 -9.987 7.863 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.195 -9.479 9.536 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.838 -10.311 12.732 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.664 -9.703 11.540 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.300 -9.005 11.615 1.00 0.00 H new ATOM 527 N GLU A 35 -8.950 -7.353 7.813 1.00 0.00 N ATOM 528 CA GLU A 35 -8.521 -6.578 6.654 1.00 0.00 C ATOM 529 C GLU A 35 -7.711 -7.411 5.658 1.00 0.00 C ATOM 530 O GLU A 35 -7.741 -7.148 4.457 1.00 0.00 O ATOM 531 CB GLU A 35 -7.703 -5.366 7.106 1.00 0.00 C ATOM 532 CG GLU A 35 -6.404 -5.716 7.819 1.00 0.00 C ATOM 533 CD GLU A 35 -6.616 -6.252 9.223 1.00 0.00 C ATOM 534 OE1 GLU A 35 -7.767 -6.225 9.706 1.00 0.00 O ATOM 535 OE2 GLU A 35 -5.623 -6.682 9.849 1.00 0.00 O ATOM 0 H GLU A 35 -8.792 -6.882 8.704 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.423 -6.246 6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.472 -4.753 6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.316 -4.757 7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.864 -6.459 7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.774 -4.828 7.868 1.00 0.00 H new ATOM 542 N LYS A 36 -6.982 -8.405 6.154 1.00 0.00 N ATOM 543 CA LYS A 36 -6.166 -9.251 5.284 1.00 0.00 C ATOM 544 C LYS A 36 -7.031 -9.978 4.259 1.00 0.00 C ATOM 545 O LYS A 36 -6.762 -9.937 3.054 1.00 0.00 O ATOM 546 CB LYS A 36 -5.374 -10.266 6.109 1.00 0.00 C ATOM 547 CG LYS A 36 -4.473 -11.161 5.271 1.00 0.00 C ATOM 548 CD LYS A 36 -3.698 -12.142 6.135 1.00 0.00 C ATOM 549 CE LYS A 36 -4.630 -13.057 6.914 1.00 0.00 C ATOM 550 NZ LYS A 36 -5.508 -13.852 6.013 1.00 0.00 N ATOM 0 H LYS A 36 -6.938 -8.645 7.144 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.468 -8.605 4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.765 -9.733 6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.071 -10.889 6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.076 -11.710 4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.775 -10.546 4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.040 -12.742 5.506 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.062 -11.593 6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.041 -13.732 7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.246 -12.460 7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.530 -14.841 6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.471 -13.460 6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.137 -13.811 5.042 1.00 0.00 H new ATOM 564 N ASP A 37 -8.079 -10.630 4.742 1.00 0.00 N ATOM 565 CA ASP A 37 -8.989 -11.351 3.875 1.00 0.00 C ATOM 566 C ASP A 37 -9.741 -10.374 2.988 1.00 0.00 C ATOM 567 O ASP A 37 -10.108 -10.696 1.858 1.00 0.00 O ATOM 568 CB ASP A 37 -9.972 -12.181 4.698 1.00 0.00 C ATOM 569 CG ASP A 37 -9.271 -13.170 5.609 1.00 0.00 C ATOM 570 OD1 ASP A 37 -8.484 -12.726 6.472 1.00 0.00 O ATOM 571 OD2 ASP A 37 -9.510 -14.387 5.462 1.00 0.00 O ATOM 0 H ASP A 37 -8.317 -10.672 5.733 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.410 -12.028 3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.593 -11.515 5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.640 -12.720 4.026 1.00 0.00 H new ATOM 576 N ILE A 38 -9.964 -9.173 3.513 1.00 0.00 N ATOM 577 CA ILE A 38 -10.671 -8.146 2.769 1.00 0.00 C ATOM 578 C ILE A 38 -9.962 -7.852 1.454 1.00 0.00 C ATOM 579 O ILE A 38 -10.563 -7.937 0.383 1.00 0.00 O ATOM 580 CB ILE A 38 -10.799 -6.839 3.576 1.00 0.00 C ATOM 581 CG1 ILE A 38 -11.391 -7.123 4.954 1.00 0.00 C ATOM 582 CG2 ILE A 38 -11.664 -5.836 2.827 1.00 0.00 C ATOM 583 CD1 ILE A 38 -12.723 -7.835 4.895 1.00 0.00 C ATOM 0 H ILE A 38 -9.665 -8.892 4.447 1.00 0.00 H new ATOM 0 HA ILE A 38 -11.672 -8.530 2.571 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.804 -6.412 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.688 -7.728 5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -11.513 -6.182 5.491 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.745 -4.918 3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -11.210 -5.614 1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -12.658 -6.256 2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.089 -8.007 5.907 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -13.440 -7.221 4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -12.602 -8.791 4.386 1.00 0.00 H new ATOM 595 N ALA A 39 -8.679 -7.517 1.539 1.00 0.00 N ATOM 596 CA ALA A 39 -7.896 -7.223 0.349 1.00 0.00 C ATOM 597 C ALA A 39 -7.892 -8.410 -0.605 1.00 0.00 C ATOM 598 O ALA A 39 -8.162 -8.262 -1.796 1.00 0.00 O ATOM 599 CB ALA A 39 -6.476 -6.844 0.730 1.00 0.00 C ATOM 0 H ALA A 39 -8.163 -7.443 2.416 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.357 -6.378 -0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.903 -6.627 -0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.494 -5.962 1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.010 -7.671 1.266 1.00 0.00 H new ATOM 605 N ALA A 40 -7.588 -9.591 -0.075 1.00 0.00 N ATOM 606 CA ALA A 40 -7.553 -10.805 -0.884 1.00 0.00 C ATOM 607 C ALA A 40 -8.881 -11.040 -1.605 1.00 0.00 C ATOM 608 O ALA A 40 -8.905 -11.492 -2.752 1.00 0.00 O ATOM 609 CB ALA A 40 -7.208 -12.004 -0.015 1.00 0.00 C ATOM 0 H ALA A 40 -7.363 -9.733 0.910 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.781 -10.677 -1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.185 -12.904 -0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.231 -11.852 0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.961 -12.117 0.765 1.00 0.00 H new ATOM 615 N HIS A 41 -9.982 -10.722 -0.930 1.00 0.00 N ATOM 616 CA HIS A 41 -11.308 -10.896 -1.502 1.00 0.00 C ATOM 617 C HIS A 41 -11.568 -9.855 -2.571 1.00 0.00 C ATOM 618 O HIS A 41 -11.975 -10.175 -3.686 1.00 0.00 O ATOM 619 CB HIS A 41 -12.375 -10.768 -0.413 1.00 0.00 C ATOM 620 CG HIS A 41 -13.770 -10.698 -0.955 1.00 0.00 C ATOM 621 ND1 HIS A 41 -14.551 -11.811 -1.179 1.00 0.00 N ATOM 622 CD2 HIS A 41 -14.508 -9.635 -1.353 1.00 0.00 C ATOM 623 CE1 HIS A 41 -15.712 -11.437 -1.689 1.00 0.00 C ATOM 624 NE2 HIS A 41 -15.711 -10.120 -1.803 1.00 0.00 N ATOM 0 H HIS A 41 -9.979 -10.342 0.016 1.00 0.00 H new ATOM 0 HA HIS A 41 -11.355 -11.890 -1.947 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.298 -11.619 0.263 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -12.177 -9.873 0.177 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -14.206 -8.598 -1.322 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -16.523 -12.095 -1.965 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -16.479 -9.556 -2.166 1.00 0.00 H new ATOM 633 N ILE A 42 -11.352 -8.602 -2.210 1.00 0.00 N ATOM 634 CA ILE A 42 -11.586 -7.513 -3.129 1.00 0.00 C ATOM 635 C ILE A 42 -10.718 -7.651 -4.381 1.00 0.00 C ATOM 636 O ILE A 42 -11.169 -7.391 -5.498 1.00 0.00 O ATOM 637 CB ILE A 42 -11.322 -6.143 -2.465 1.00 0.00 C ATOM 638 CG1 ILE A 42 -12.257 -5.942 -1.272 1.00 0.00 C ATOM 639 CG2 ILE A 42 -11.497 -5.013 -3.473 1.00 0.00 C ATOM 640 CD1 ILE A 42 -12.028 -4.640 -0.534 1.00 0.00 C ATOM 0 H ILE A 42 -11.016 -8.319 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.636 -7.562 -3.418 1.00 0.00 H new ATOM 0 HB ILE A 42 -10.292 -6.127 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.289 -5.975 -1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -12.128 -6.771 -0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.307 -4.057 -2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.794 -5.147 -4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -12.516 -5.026 -3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.727 -4.566 0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.007 -4.612 -0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.186 -3.803 -1.215 1.00 0.00 H new ATOM 652 N LYS A 43 -9.470 -8.053 -4.176 1.00 0.00 N ATOM 653 CA LYS A 43 -8.520 -8.217 -5.270 1.00 0.00 C ATOM 654 C LYS A 43 -8.987 -9.279 -6.264 1.00 0.00 C ATOM 655 O LYS A 43 -9.073 -9.017 -7.464 1.00 0.00 O ATOM 656 CB LYS A 43 -7.142 -8.585 -4.707 1.00 0.00 C ATOM 657 CG LYS A 43 -6.021 -8.590 -5.740 1.00 0.00 C ATOM 658 CD LYS A 43 -6.074 -9.814 -6.641 1.00 0.00 C ATOM 659 CE LYS A 43 -4.871 -9.868 -7.568 1.00 0.00 C ATOM 660 NZ LYS A 43 -4.905 -11.064 -8.456 1.00 0.00 N ATOM 0 H LYS A 43 -9.090 -8.273 -3.255 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.453 -7.271 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.887 -7.881 -3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.202 -9.572 -4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.088 -7.689 -6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.059 -8.559 -5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.107 -10.717 -6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.990 -9.795 -7.231 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.842 -8.965 -8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.957 -9.882 -6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.045 -11.630 -8.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.741 -11.640 -8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.953 -10.758 -9.449 1.00 0.00 H new ATOM 674 N LYS A 44 -9.276 -10.478 -5.770 1.00 0.00 N ATOM 675 CA LYS A 44 -9.718 -11.569 -6.638 1.00 0.00 C ATOM 676 C LYS A 44 -10.944 -11.171 -7.457 1.00 0.00 C ATOM 677 O LYS A 44 -11.041 -11.492 -8.642 1.00 0.00 O ATOM 678 CB LYS A 44 -10.021 -12.823 -5.814 1.00 0.00 C ATOM 679 CG LYS A 44 -11.064 -12.606 -4.730 1.00 0.00 C ATOM 680 CD LYS A 44 -11.357 -13.888 -3.969 1.00 0.00 C ATOM 681 CE LYS A 44 -11.895 -14.974 -4.888 1.00 0.00 C ATOM 682 NZ LYS A 44 -13.154 -14.556 -5.564 1.00 0.00 N ATOM 0 H LYS A 44 -9.214 -10.720 -4.781 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.905 -11.787 -7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.364 -13.612 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.098 -13.175 -5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.714 -11.842 -4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.984 -12.231 -5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.447 -14.240 -3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.082 -13.686 -3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.144 -15.219 -5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.077 -15.881 -4.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.587 -15.378 -6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.815 -14.170 -4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.941 -13.827 -6.275 1.00 0.00 H new ATOM 696 N GLU A 45 -11.879 -10.483 -6.817 1.00 0.00 N ATOM 697 CA GLU A 45 -13.105 -10.049 -7.483 1.00 0.00 C ATOM 698 C GLU A 45 -12.818 -9.100 -8.646 1.00 0.00 C ATOM 699 O GLU A 45 -13.427 -9.218 -9.709 1.00 0.00 O ATOM 700 CB GLU A 45 -14.045 -9.373 -6.481 1.00 0.00 C ATOM 701 CG GLU A 45 -14.558 -10.306 -5.395 1.00 0.00 C ATOM 702 CD GLU A 45 -15.422 -11.426 -5.942 1.00 0.00 C ATOM 703 OE1 GLU A 45 -14.908 -12.241 -6.736 1.00 0.00 O ATOM 704 OE2 GLU A 45 -16.615 -11.487 -5.576 1.00 0.00 O ATOM 0 H GLU A 45 -11.814 -10.212 -5.836 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.585 -10.939 -7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.523 -8.538 -6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.896 -8.955 -7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.710 -10.735 -4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.133 -9.730 -4.670 1.00 0.00 H new ATOM 711 N PHE A 46 -11.892 -8.166 -8.449 1.00 0.00 N ATOM 712 CA PHE A 46 -11.547 -7.217 -9.498 1.00 0.00 C ATOM 713 C PHE A 46 -10.729 -7.893 -10.581 1.00 0.00 C ATOM 714 O PHE A 46 -10.915 -7.633 -11.769 1.00 0.00 O ATOM 715 CB PHE A 46 -10.788 -6.020 -8.926 1.00 0.00 C ATOM 716 CG PHE A 46 -11.693 -4.973 -8.343 1.00 0.00 C ATOM 717 CD1 PHE A 46 -12.538 -5.274 -7.288 1.00 0.00 C ATOM 718 CD2 PHE A 46 -11.706 -3.689 -8.861 1.00 0.00 C ATOM 719 CE1 PHE A 46 -13.380 -4.314 -6.761 1.00 0.00 C ATOM 720 CE2 PHE A 46 -12.543 -2.724 -8.339 1.00 0.00 C ATOM 721 CZ PHE A 46 -13.382 -3.036 -7.287 1.00 0.00 C ATOM 0 H PHE A 46 -11.372 -8.048 -7.580 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.474 -6.852 -9.939 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.101 -6.368 -8.155 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.183 -5.571 -9.714 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.539 -6.271 -6.872 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -11.053 -3.440 -9.684 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.036 -4.562 -5.939 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -12.542 -1.726 -8.752 1.00 0.00 H new ATOM 0 HZ PHE A 46 -14.038 -2.283 -6.876 1.00 0.00 H new ATOM 731 N ASP A 47 -9.837 -8.779 -10.169 1.00 0.00 N ATOM 732 CA ASP A 47 -9.013 -9.502 -11.117 1.00 0.00 C ATOM 733 C ASP A 47 -9.862 -10.501 -11.887 1.00 0.00 C ATOM 734 O ASP A 47 -9.483 -10.964 -12.962 1.00 0.00 O ATOM 735 CB ASP A 47 -7.865 -10.223 -10.408 1.00 0.00 C ATOM 736 CG ASP A 47 -6.849 -9.258 -9.827 1.00 0.00 C ATOM 737 OD1 ASP A 47 -7.236 -8.432 -8.976 1.00 0.00 O ATOM 738 OD2 ASP A 47 -5.668 -9.330 -10.226 1.00 0.00 O ATOM 0 H ASP A 47 -9.667 -9.012 -9.191 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.583 -8.783 -11.815 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.268 -10.846 -9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.368 -10.890 -11.112 1.00 0.00 H new ATOM 743 N LYS A 48 -11.011 -10.839 -11.314 1.00 0.00 N ATOM 744 CA LYS A 48 -11.919 -11.789 -11.920 1.00 0.00 C ATOM 745 C LYS A 48 -12.856 -11.110 -12.911 1.00 0.00 C ATOM 746 O LYS A 48 -13.102 -11.624 -14.001 1.00 0.00 O ATOM 747 CB LYS A 48 -12.730 -12.478 -10.824 1.00 0.00 C ATOM 748 CG LYS A 48 -13.590 -13.617 -11.328 1.00 0.00 C ATOM 749 CD LYS A 48 -12.741 -14.765 -11.850 1.00 0.00 C ATOM 750 CE LYS A 48 -11.859 -15.347 -10.757 1.00 0.00 C ATOM 751 NZ LYS A 48 -12.660 -15.902 -9.630 1.00 0.00 N ATOM 0 H LYS A 48 -11.333 -10.462 -10.422 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.333 -12.525 -12.469 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.047 -12.859 -10.064 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.368 -11.740 -10.338 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.232 -13.974 -10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -14.245 -13.257 -12.121 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.388 -15.545 -12.250 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.119 -14.414 -12.673 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.232 -16.133 -11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.190 -14.573 -10.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.043 -16.464 -9.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.080 -15.122 -9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.417 -16.508 -10.007 1.00 0.00 H new ATOM 765 N LYS A 49 -13.389 -9.963 -12.514 1.00 0.00 N ATOM 766 CA LYS A 49 -14.315 -9.223 -13.356 1.00 0.00 C ATOM 767 C LYS A 49 -13.579 -8.235 -14.254 1.00 0.00 C ATOM 768 O LYS A 49 -13.841 -8.155 -15.453 1.00 0.00 O ATOM 769 CB LYS A 49 -15.337 -8.492 -12.477 1.00 0.00 C ATOM 770 CG LYS A 49 -16.535 -7.923 -13.231 1.00 0.00 C ATOM 771 CD LYS A 49 -16.160 -6.726 -14.092 1.00 0.00 C ATOM 772 CE LYS A 49 -17.394 -6.043 -14.656 1.00 0.00 C ATOM 773 NZ LYS A 49 -18.202 -6.965 -15.502 1.00 0.00 N ATOM 0 H LYS A 49 -13.195 -9.525 -11.613 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.835 -9.930 -14.003 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.699 -9.181 -11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -14.832 -7.678 -11.957 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.967 -8.700 -13.861 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.304 -7.628 -12.517 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.587 -6.014 -13.498 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.516 -7.051 -14.909 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.009 -5.670 -13.837 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.092 -5.179 -15.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.967 -6.432 -15.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.593 -7.393 -16.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.611 -7.714 -14.907 1.00 0.00 H new ATOM 787 N TYR A 50 -12.668 -7.476 -13.662 1.00 0.00 N ATOM 788 CA TYR A 50 -11.908 -6.478 -14.405 1.00 0.00 C ATOM 789 C TYR A 50 -10.667 -7.075 -15.062 1.00 0.00 C ATOM 790 O TYR A 50 -10.083 -6.459 -15.952 1.00 0.00 O ATOM 791 CB TYR A 50 -11.516 -5.320 -13.485 1.00 0.00 C ATOM 792 CG TYR A 50 -12.705 -4.646 -12.838 1.00 0.00 C ATOM 793 CD1 TYR A 50 -13.672 -4.014 -13.610 1.00 0.00 C ATOM 794 CD2 TYR A 50 -12.864 -4.647 -11.458 1.00 0.00 C ATOM 795 CE1 TYR A 50 -14.763 -3.401 -13.026 1.00 0.00 C ATOM 796 CE2 TYR A 50 -13.953 -4.037 -10.866 1.00 0.00 C ATOM 797 CZ TYR A 50 -14.900 -3.416 -11.654 1.00 0.00 C ATOM 798 OH TYR A 50 -15.985 -2.806 -11.067 1.00 0.00 O ATOM 0 H TYR A 50 -12.436 -7.531 -12.670 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.550 -6.104 -15.202 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.849 -5.692 -12.707 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.956 -4.582 -14.059 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -13.569 -4.002 -14.685 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -12.125 -5.132 -10.838 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -15.505 -2.913 -13.640 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -14.062 -4.046 -9.792 1.00 0.00 H new ATOM 0 HH TYR A 50 -16.657 -3.482 -10.840 1.00 0.00 H new ATOM 808 N ASN A 51 -10.257 -8.259 -14.603 1.00 0.00 N ATOM 809 CA ASN A 51 -9.072 -8.934 -15.126 1.00 0.00 C ATOM 810 C ASN A 51 -7.837 -8.402 -14.420 1.00 0.00 C ATOM 811 O ASN A 51 -7.747 -7.209 -14.130 1.00 0.00 O ATOM 812 CB ASN A 51 -8.931 -8.758 -16.647 1.00 0.00 C ATOM 813 CG ASN A 51 -10.136 -9.259 -17.432 1.00 0.00 C ATOM 814 OD1 ASN A 51 -11.075 -9.928 -16.762 1.00 0.00 O flip ATOM 815 ND2 ASN A 51 -10.217 -9.058 -18.645 1.00 0.00 N flip ATOM 0 H ASN A 51 -10.735 -8.773 -13.863 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.180 -10.002 -14.934 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.776 -7.702 -16.870 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.041 -9.289 -16.985 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -9.481 -8.542 -19.127 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.020 -9.407 -19.167 1.00 0.00 H new ATOM 822 N PRO A 52 -6.872 -9.277 -14.109 1.00 0.00 N ATOM 823 CA PRO A 52 -5.657 -8.877 -13.410 1.00 0.00 C ATOM 824 C PRO A 52 -4.971 -7.680 -14.070 1.00 0.00 C ATOM 825 O PRO A 52 -5.229 -7.385 -15.238 1.00 0.00 O ATOM 826 CB PRO A 52 -4.759 -10.123 -13.470 1.00 0.00 C ATOM 827 CG PRO A 52 -5.426 -11.055 -14.430 1.00 0.00 C ATOM 828 CD PRO A 52 -6.887 -10.716 -14.391 1.00 0.00 C ATOM 0 HA PRO A 52 -5.871 -8.553 -12.391 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.755 -9.866 -13.807 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.658 -10.581 -12.486 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.024 -10.932 -15.436 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.259 -12.094 -14.145 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.381 -10.939 -15.337 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.413 -11.276 -13.617 1.00 0.00 H new ATOM 836 N THR A 53 -4.106 -6.975 -13.326 1.00 0.00 N ATOM 837 CA THR A 53 -3.788 -7.313 -11.939 1.00 0.00 C ATOM 838 C THR A 53 -4.106 -6.153 -11.004 1.00 0.00 C ATOM 839 O THR A 53 -3.754 -5.006 -11.280 1.00 0.00 O ATOM 840 CB THR A 53 -2.310 -7.684 -11.815 1.00 0.00 C ATOM 841 OG1 THR A 53 -1.993 -8.771 -12.666 1.00 0.00 O ATOM 842 CG2 THR A 53 -1.904 -8.070 -10.408 1.00 0.00 C ATOM 0 H THR A 53 -3.609 -6.155 -13.673 1.00 0.00 H new ATOM 0 HA THR A 53 -4.403 -8.166 -11.651 1.00 0.00 H new ATOM 0 HB THR A 53 -1.763 -6.785 -12.100 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.043 -8.992 -12.574 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.843 -8.321 -10.391 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.090 -7.234 -9.734 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.486 -8.933 -10.085 1.00 0.00 H new ATOM 850 N TRP A 54 -4.773 -6.460 -9.895 1.00 0.00 N ATOM 851 CA TRP A 54 -5.135 -5.441 -8.918 1.00 0.00 C ATOM 852 C TRP A 54 -4.432 -5.644 -7.588 1.00 0.00 C ATOM 853 O TRP A 54 -4.282 -6.768 -7.110 1.00 0.00 O ATOM 854 CB TRP A 54 -6.640 -5.433 -8.673 1.00 0.00 C ATOM 855 CG TRP A 54 -7.435 -5.125 -9.893 1.00 0.00 C ATOM 856 CD1 TRP A 54 -7.575 -5.908 -10.998 1.00 0.00 C ATOM 857 CD2 TRP A 54 -8.183 -3.935 -10.138 1.00 0.00 C ATOM 858 NE1 TRP A 54 -8.379 -5.283 -11.914 1.00 0.00 N ATOM 859 CE2 TRP A 54 -8.767 -4.066 -11.410 1.00 0.00 C ATOM 860 CE3 TRP A 54 -8.421 -2.770 -9.400 1.00 0.00 C ATOM 861 CZ2 TRP A 54 -9.574 -3.073 -11.960 1.00 0.00 C ATOM 862 CZ3 TRP A 54 -9.217 -1.786 -9.949 1.00 0.00 C ATOM 863 CH2 TRP A 54 -9.785 -1.941 -11.214 1.00 0.00 C ATOM 0 H TRP A 54 -5.073 -7.404 -9.652 1.00 0.00 H new ATOM 0 HA TRP A 54 -4.818 -4.487 -9.340 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.943 -6.406 -8.287 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.871 -4.698 -7.902 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.120 -6.878 -11.132 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -8.646 -5.660 -12.823 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.989 -2.644 -8.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -10.017 -3.190 -12.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.404 -0.881 -9.390 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -10.405 -1.152 -11.615 1.00 0.00 H new ATOM 874 N HIS A 55 -4.048 -4.535 -6.975 1.00 0.00 N ATOM 875 CA HIS A 55 -3.415 -4.559 -5.671 1.00 0.00 C ATOM 876 C HIS A 55 -4.386 -3.968 -4.667 1.00 0.00 C ATOM 877 O HIS A 55 -4.907 -2.873 -4.880 1.00 0.00 O ATOM 878 CB HIS A 55 -2.105 -3.766 -5.663 1.00 0.00 C ATOM 879 CG HIS A 55 -1.089 -4.256 -6.647 1.00 0.00 C ATOM 880 ND1 HIS A 55 -1.231 -4.924 -7.817 1.00 0.00 N flip ATOM 881 CD2 HIS A 55 0.266 -4.060 -6.485 1.00 0.00 C flip ATOM 882 CE1 HIS A 55 0.027 -5.119 -8.329 1.00 0.00 C flip ATOM 883 NE2 HIS A 55 0.913 -4.586 -7.507 1.00 0.00 N flip ATOM 0 H HIS A 55 -4.166 -3.601 -7.366 1.00 0.00 H new ATOM 0 HA HIS A 55 -3.168 -5.589 -5.412 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.325 -2.720 -5.874 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.675 -3.806 -4.662 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.727 -3.554 -5.650 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.256 -5.626 -9.255 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.924 -4.582 -7.640 1.00 0.00 H new ATOM 892 N CYS A 56 -4.657 -4.686 -3.588 1.00 0.00 N ATOM 893 CA CYS A 56 -5.599 -4.189 -2.601 1.00 0.00 C ATOM 894 C CYS A 56 -5.020 -4.259 -1.203 1.00 0.00 C ATOM 895 O CYS A 56 -4.359 -5.228 -0.832 1.00 0.00 O ATOM 896 CB CYS A 56 -6.908 -4.976 -2.668 1.00 0.00 C ATOM 897 SG CYS A 56 -8.237 -4.274 -1.663 1.00 0.00 S ATOM 0 H CYS A 56 -4.247 -5.596 -3.377 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.801 -3.143 -2.832 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.238 -5.026 -3.706 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.722 -6.000 -2.343 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.050 -2.995 -1.528 1.00 0.00 H new ATOM 903 N ILE A 57 -5.281 -3.218 -0.430 1.00 0.00 N ATOM 904 CA ILE A 57 -4.799 -3.145 0.931 1.00 0.00 C ATOM 905 C ILE A 57 -5.890 -2.618 1.843 1.00 0.00 C ATOM 906 O ILE A 57 -6.755 -1.849 1.427 1.00 0.00 O ATOM 907 CB ILE A 57 -3.574 -2.221 1.076 1.00 0.00 C ATOM 908 CG1 ILE A 57 -2.509 -2.541 0.022 1.00 0.00 C ATOM 909 CG2 ILE A 57 -2.985 -2.332 2.476 1.00 0.00 C ATOM 910 CD1 ILE A 57 -2.904 -2.152 -1.387 1.00 0.00 C ATOM 0 H ILE A 57 -5.827 -2.410 -0.728 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.508 -4.158 1.209 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.908 -1.196 0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.585 -2.026 0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.296 -3.610 0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.121 -1.673 2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.736 -2.042 3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.676 -3.361 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.099 -2.410 -2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.810 -2.687 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.088 -1.078 -1.430 1.00 0.00 H new ATOM 922 N VAL A 58 -5.828 -3.028 3.088 1.00 0.00 N ATOM 923 CA VAL A 58 -6.785 -2.600 4.088 1.00 0.00 C ATOM 924 C VAL A 58 -6.136 -2.646 5.458 1.00 0.00 C ATOM 925 O VAL A 58 -5.642 -3.688 5.876 1.00 0.00 O ATOM 926 CB VAL A 58 -8.048 -3.485 4.082 1.00 0.00 C ATOM 927 CG1 VAL A 58 -9.050 -3.003 5.120 1.00 0.00 C ATOM 928 CG2 VAL A 58 -8.676 -3.506 2.696 1.00 0.00 C ATOM 0 H VAL A 58 -5.115 -3.667 3.439 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.090 -1.581 3.851 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.755 -4.502 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.933 -3.642 5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.597 -3.045 6.110 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.340 -1.976 4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.566 -4.135 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.952 -2.492 2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.960 -3.906 1.978 1.00 0.00 H new ATOM 938 N GLY A 59 -6.108 -1.514 6.144 1.00 0.00 N ATOM 939 CA GLY A 59 -5.476 -1.479 7.448 1.00 0.00 C ATOM 940 C GLY A 59 -5.927 -0.326 8.315 1.00 0.00 C ATOM 941 O GLY A 59 -6.425 0.686 7.820 1.00 0.00 O ATOM 0 H GLY A 59 -6.505 -0.629 5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.684 -2.415 7.967 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.396 -1.421 7.316 1.00 0.00 H new ATOM 945 N ARG A 60 -5.739 -0.488 9.619 1.00 0.00 N ATOM 946 CA ARG A 60 -6.111 0.531 10.587 1.00 0.00 C ATOM 947 C ARG A 60 -5.224 1.760 10.429 1.00 0.00 C ATOM 948 O ARG A 60 -5.651 2.887 10.685 1.00 0.00 O ATOM 949 CB ARG A 60 -5.992 -0.026 12.009 1.00 0.00 C ATOM 950 CG ARG A 60 -6.829 -1.274 12.252 1.00 0.00 C ATOM 951 CD ARG A 60 -6.672 -1.779 13.678 1.00 0.00 C ATOM 952 NE ARG A 60 -7.080 -0.782 14.664 1.00 0.00 N ATOM 953 CZ ARG A 60 -8.333 -0.357 14.817 1.00 0.00 C ATOM 954 NH1 ARG A 60 -9.312 -0.872 14.084 1.00 0.00 N ATOM 955 NH2 ARG A 60 -8.609 0.578 15.716 1.00 0.00 N ATOM 0 H ARG A 60 -5.327 -1.325 10.031 1.00 0.00 H new ATOM 0 HA ARG A 60 -7.146 0.823 10.408 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.946 -0.256 12.213 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.293 0.746 12.718 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -7.878 -1.054 12.056 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.531 -2.055 11.553 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.268 -2.682 13.809 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.632 -2.055 13.852 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.362 -0.387 15.272 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.107 -1.598 13.398 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.269 -0.541 14.207 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.862 0.971 16.289 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.568 0.904 15.834 1.00 0.00 H new ATOM 969 N ASN A 61 -3.985 1.531 10.004 1.00 0.00 N ATOM 970 CA ASN A 61 -3.030 2.613 9.807 1.00 0.00 C ATOM 971 C ASN A 61 -1.757 2.123 9.113 1.00 0.00 C ATOM 972 O ASN A 61 -1.205 1.084 9.472 1.00 0.00 O ATOM 973 CB ASN A 61 -2.688 3.279 11.146 1.00 0.00 C ATOM 974 CG ASN A 61 -2.282 2.301 12.247 1.00 0.00 C ATOM 975 OD1 ASN A 61 -2.111 1.020 11.915 1.00 0.00 O flip ATOM 976 ND2 ASN A 61 -2.105 2.703 13.397 1.00 0.00 N flip ATOM 0 H ASN A 61 -3.620 0.603 9.789 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.498 3.351 9.156 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.876 3.989 10.989 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.551 3.852 11.485 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.244 3.689 13.620 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.820 2.050 14.127 1.00 0.00 H new ATOM 983 N PHE A 62 -1.304 2.882 8.115 1.00 0.00 N ATOM 984 CA PHE A 62 -0.103 2.533 7.359 1.00 0.00 C ATOM 985 C PHE A 62 0.184 3.561 6.258 1.00 0.00 C ATOM 986 O PHE A 62 -0.451 4.613 6.184 1.00 0.00 O ATOM 987 CB PHE A 62 -0.257 1.141 6.736 1.00 0.00 C ATOM 988 CG PHE A 62 -1.356 1.048 5.713 1.00 0.00 C ATOM 989 CD1 PHE A 62 -2.680 1.237 6.075 1.00 0.00 C ATOM 990 CD2 PHE A 62 -1.061 0.773 4.386 1.00 0.00 C ATOM 991 CE1 PHE A 62 -3.689 1.152 5.132 1.00 0.00 C ATOM 992 CE2 PHE A 62 -2.066 0.687 3.442 1.00 0.00 C ATOM 993 CZ PHE A 62 -3.382 0.876 3.815 1.00 0.00 C ATOM 0 H PHE A 62 -1.753 3.746 7.811 1.00 0.00 H new ATOM 0 HA PHE A 62 0.737 2.532 8.053 1.00 0.00 H new ATOM 0 HB2 PHE A 62 0.686 0.857 6.269 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.450 0.418 7.529 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.927 1.453 7.104 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.034 0.624 4.087 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.717 1.302 5.427 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.822 0.472 2.412 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.169 0.808 3.078 1.00 0.00 H new ATOM 1003 N GLY A 63 1.147 3.223 5.405 1.00 0.00 N ATOM 1004 CA GLY A 63 1.542 4.076 4.299 1.00 0.00 C ATOM 1005 C GLY A 63 2.326 3.279 3.272 1.00 0.00 C ATOM 1006 O GLY A 63 3.089 2.385 3.639 1.00 0.00 O ATOM 0 H GLY A 63 1.672 2.351 5.465 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.658 4.512 3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.149 4.903 4.668 1.00 0.00 H new ATOM 1010 N SER A 64 2.126 3.564 1.989 1.00 0.00 N ATOM 1011 CA SER A 64 2.817 2.813 0.945 1.00 0.00 C ATOM 1012 C SER A 64 2.964 3.601 -0.344 1.00 0.00 C ATOM 1013 O SER A 64 2.088 4.375 -0.724 1.00 0.00 O ATOM 1014 CB SER A 64 2.054 1.526 0.644 1.00 0.00 C ATOM 1015 OG SER A 64 0.724 1.804 0.243 1.00 0.00 O ATOM 0 H SER A 64 1.502 4.297 1.650 1.00 0.00 H new ATOM 0 HA SER A 64 3.816 2.596 1.323 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.566 0.971 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.045 0.889 1.529 1.00 0.00 H new ATOM 0 HG SER A 64 0.279 2.339 0.933 1.00 0.00 H new ATOM 1021 N TYR A 65 4.071 3.353 -1.037 1.00 0.00 N ATOM 1022 CA TYR A 65 4.330 3.989 -2.318 1.00 0.00 C ATOM 1023 C TYR A 65 4.120 2.947 -3.407 1.00 0.00 C ATOM 1024 O TYR A 65 4.702 1.858 -3.342 1.00 0.00 O ATOM 1025 CB TYR A 65 5.755 4.544 -2.379 1.00 0.00 C ATOM 1026 CG TYR A 65 6.021 5.460 -3.565 1.00 0.00 C ATOM 1027 CD1 TYR A 65 4.985 5.907 -4.380 1.00 0.00 C ATOM 1028 CD2 TYR A 65 7.313 5.884 -3.860 1.00 0.00 C ATOM 1029 CE1 TYR A 65 5.231 6.745 -5.453 1.00 0.00 C ATOM 1030 CE2 TYR A 65 7.563 6.723 -4.928 1.00 0.00 C ATOM 1031 CZ TYR A 65 6.520 7.149 -5.722 1.00 0.00 C ATOM 1032 OH TYR A 65 6.768 7.984 -6.787 1.00 0.00 O ATOM 0 H TYR A 65 4.804 2.713 -0.729 1.00 0.00 H new ATOM 0 HA TYR A 65 3.650 4.829 -2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.958 5.092 -1.459 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.456 3.710 -2.415 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.972 5.595 -4.171 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.135 5.551 -3.243 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.416 7.081 -6.077 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.572 7.044 -5.140 1.00 0.00 H new ATOM 0 HH TYR A 65 7.728 8.174 -6.837 1.00 0.00 H new ATOM 1042 N VAL A 66 3.271 3.245 -4.386 1.00 0.00 N ATOM 1043 CA VAL A 66 2.994 2.273 -5.435 1.00 0.00 C ATOM 1044 C VAL A 66 2.569 2.922 -6.748 1.00 0.00 C ATOM 1045 O VAL A 66 1.903 3.959 -6.758 1.00 0.00 O ATOM 1046 CB VAL A 66 1.880 1.307 -4.996 1.00 0.00 C ATOM 1047 CG1 VAL A 66 2.319 0.498 -3.785 1.00 0.00 C ATOM 1048 CG2 VAL A 66 0.602 2.079 -4.696 1.00 0.00 C ATOM 0 H VAL A 66 2.774 4.131 -4.474 1.00 0.00 H new ATOM 0 HA VAL A 66 3.929 1.738 -5.601 1.00 0.00 H new ATOM 0 HB VAL A 66 1.680 0.612 -5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.518 -0.179 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.208 -0.080 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.546 1.173 -2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.179 1.384 -4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.789 2.795 -3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.280 2.611 -5.591 1.00 0.00 H new ATOM 1058 N THR A 67 2.941 2.282 -7.854 1.00 0.00 N ATOM 1059 CA THR A 67 2.585 2.765 -9.181 1.00 0.00 C ATOM 1060 C THR A 67 1.545 1.844 -9.811 1.00 0.00 C ATOM 1061 O THR A 67 1.678 0.621 -9.781 1.00 0.00 O ATOM 1062 CB THR A 67 3.823 2.849 -10.074 1.00 0.00 C ATOM 1063 OG1 THR A 67 4.802 3.696 -9.496 1.00 0.00 O ATOM 1064 CG2 THR A 67 3.526 3.375 -11.462 1.00 0.00 C ATOM 0 H THR A 67 3.492 1.423 -7.854 1.00 0.00 H new ATOM 0 HA THR A 67 2.162 3.765 -9.083 1.00 0.00 H new ATOM 0 HB THR A 67 4.186 1.825 -10.160 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.587 3.736 -10.081 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.448 3.409 -12.043 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.810 2.717 -11.955 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.106 4.378 -11.389 1.00 0.00 H new ATOM 1072 N HIS A 68 0.499 2.447 -10.359 1.00 0.00 N ATOM 1073 CA HIS A 68 -0.589 1.700 -10.979 1.00 0.00 C ATOM 1074 C HIS A 68 -0.635 1.943 -12.480 1.00 0.00 C ATOM 1075 O HIS A 68 0.234 2.608 -13.044 1.00 0.00 O ATOM 1076 CB HIS A 68 -1.907 2.147 -10.355 1.00 0.00 C ATOM 1077 CG HIS A 68 -2.243 3.570 -10.676 1.00 0.00 C ATOM 1078 ND1 HIS A 68 -2.998 3.934 -11.771 1.00 0.00 N ATOM 1079 CD2 HIS A 68 -1.882 4.724 -10.066 1.00 0.00 C ATOM 1080 CE1 HIS A 68 -3.091 5.250 -11.822 1.00 0.00 C ATOM 1081 NE2 HIS A 68 -2.424 5.755 -10.798 1.00 0.00 N ATOM 0 H HIS A 68 0.380 3.460 -10.387 1.00 0.00 H new ATOM 0 HA HIS A 68 -0.426 0.636 -10.811 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.710 1.500 -10.708 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.852 2.026 -9.273 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.282 4.817 -9.173 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.622 5.817 -12.572 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -2.327 6.748 -10.585 1.00 0.00 H new ATOM 1090 N GLU A 69 -1.676 1.420 -13.114 1.00 0.00 N ATOM 1091 CA GLU A 69 -1.871 1.596 -14.543 1.00 0.00 C ATOM 1092 C GLU A 69 -2.595 2.921 -14.805 1.00 0.00 C ATOM 1093 O GLU A 69 -2.119 3.980 -14.398 1.00 0.00 O ATOM 1094 CB GLU A 69 -2.651 0.408 -15.118 1.00 0.00 C ATOM 1095 CG GLU A 69 -1.978 -0.936 -14.890 1.00 0.00 C ATOM 1096 CD GLU A 69 -0.609 -1.024 -15.537 1.00 0.00 C ATOM 1097 OE1 GLU A 69 0.277 -0.225 -15.167 1.00 0.00 O ATOM 1098 OE2 GLU A 69 -0.422 -1.894 -16.414 1.00 0.00 O ATOM 0 H GLU A 69 -2.401 0.868 -12.656 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.903 1.632 -15.043 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.645 0.387 -14.670 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.787 0.559 -16.189 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.881 -1.112 -13.819 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.614 -1.728 -15.286 1.00 0.00 H new ATOM 1105 N THR A 70 -3.742 2.866 -15.477 1.00 0.00 N ATOM 1106 CA THR A 70 -4.512 4.068 -15.775 1.00 0.00 C ATOM 1107 C THR A 70 -6.003 3.769 -15.714 1.00 0.00 C ATOM 1108 O THR A 70 -6.453 2.726 -16.184 1.00 0.00 O ATOM 1109 CB THR A 70 -4.147 4.596 -17.160 1.00 0.00 C ATOM 1110 OG1 THR A 70 -2.789 4.997 -17.211 1.00 0.00 O ATOM 1111 CG2 THR A 70 -4.999 5.769 -17.606 1.00 0.00 C ATOM 0 H THR A 70 -4.158 2.002 -15.825 1.00 0.00 H new ATOM 0 HA THR A 70 -4.273 4.827 -15.030 1.00 0.00 H new ATOM 0 HB THR A 70 -4.332 3.762 -17.837 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.580 5.330 -18.109 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.683 6.091 -18.598 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.046 5.467 -17.638 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.881 6.593 -16.902 1.00 0.00 H new ATOM 1119 N LYS A 71 -6.764 4.685 -15.128 1.00 0.00 N ATOM 1120 CA LYS A 71 -8.206 4.511 -14.995 1.00 0.00 C ATOM 1121 C LYS A 71 -8.530 3.308 -14.112 1.00 0.00 C ATOM 1122 O LYS A 71 -9.654 2.806 -14.114 1.00 0.00 O ATOM 1123 CB LYS A 71 -8.856 4.345 -16.370 1.00 0.00 C ATOM 1124 CG LYS A 71 -8.640 5.533 -17.292 1.00 0.00 C ATOM 1125 CD LYS A 71 -9.350 5.344 -18.623 1.00 0.00 C ATOM 1126 CE LYS A 71 -10.853 5.207 -18.438 1.00 0.00 C ATOM 1127 NZ LYS A 71 -11.560 5.052 -19.738 1.00 0.00 N ATOM 0 H LYS A 71 -6.407 5.557 -14.737 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.611 5.405 -14.521 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.457 3.449 -16.846 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.927 4.187 -16.240 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.005 6.440 -16.810 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.573 5.671 -17.465 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.138 6.193 -19.273 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.961 4.456 -19.121 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.064 4.345 -17.805 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.236 6.085 -17.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.582 4.962 -19.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.380 5.886 -20.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.213 4.200 -20.223 1.00 0.00 H new ATOM 1141 N HIS A 72 -7.537 2.862 -13.347 1.00 0.00 N ATOM 1142 CA HIS A 72 -7.705 1.729 -12.443 1.00 0.00 C ATOM 1143 C HIS A 72 -6.961 1.993 -11.139 1.00 0.00 C ATOM 1144 O HIS A 72 -5.935 1.377 -10.850 1.00 0.00 O ATOM 1145 CB HIS A 72 -7.211 0.437 -13.097 1.00 0.00 C ATOM 1146 CG HIS A 72 -7.980 0.069 -14.330 1.00 0.00 C ATOM 1147 ND1 HIS A 72 -7.961 0.822 -15.484 1.00 0.00 N ATOM 1148 CD2 HIS A 72 -8.805 -0.976 -14.581 1.00 0.00 C ATOM 1149 CE1 HIS A 72 -8.740 0.258 -16.390 1.00 0.00 C ATOM 1150 NE2 HIS A 72 -9.262 -0.834 -15.866 1.00 0.00 N ATOM 0 H HIS A 72 -6.603 3.271 -13.336 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.766 1.608 -12.224 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -6.157 0.547 -13.353 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.281 -0.378 -12.376 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -7.428 1.681 -15.618 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.056 -1.773 -13.896 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.919 0.628 -17.389 1.00 0.00 H new ATOM 1159 N PHE A 73 -7.489 2.941 -10.368 1.00 0.00 N ATOM 1160 CA PHE A 73 -6.893 3.341 -9.094 1.00 0.00 C ATOM 1161 C PHE A 73 -7.952 3.976 -8.193 1.00 0.00 C ATOM 1162 O PHE A 73 -8.790 4.748 -8.659 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.756 4.340 -9.351 1.00 0.00 C ATOM 1164 CG PHE A 73 -5.227 5.013 -8.111 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.399 4.335 -7.232 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -5.568 6.326 -7.825 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -3.921 4.952 -6.092 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -5.092 6.949 -6.686 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.268 6.260 -5.819 1.00 0.00 C ATOM 0 H PHE A 73 -8.339 3.452 -10.607 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.493 2.459 -8.594 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.936 3.819 -9.845 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.110 5.105 -10.042 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.124 3.312 -7.440 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.213 6.869 -8.500 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.276 4.411 -5.415 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.364 7.973 -6.475 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.895 6.744 -4.928 1.00 0.00 H new ATOM 1179 N ILE A 74 -7.917 3.644 -6.905 1.00 0.00 N ATOM 1180 CA ILE A 74 -8.887 4.189 -5.961 1.00 0.00 C ATOM 1181 C ILE A 74 -8.493 3.896 -4.519 1.00 0.00 C ATOM 1182 O ILE A 74 -7.898 2.862 -4.218 1.00 0.00 O ATOM 1183 CB ILE A 74 -10.300 3.630 -6.220 1.00 0.00 C ATOM 1184 CG1 ILE A 74 -11.303 4.222 -5.225 1.00 0.00 C ATOM 1185 CG2 ILE A 74 -10.294 2.112 -6.134 1.00 0.00 C ATOM 1186 CD1 ILE A 74 -12.715 3.709 -5.410 1.00 0.00 C ATOM 0 H ILE A 74 -7.235 3.007 -6.495 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.895 5.268 -6.114 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.606 3.917 -7.226 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -10.973 3.995 -4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -11.304 5.307 -5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.299 1.733 -6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.611 1.708 -6.881 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.968 1.805 -5.140 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -13.370 4.171 -4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.065 3.959 -6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -12.729 2.627 -5.280 1.00 0.00 H new ATOM 1198 N TYR A 75 -8.840 4.822 -3.634 1.00 0.00 N ATOM 1199 CA TYR A 75 -8.537 4.686 -2.212 1.00 0.00 C ATOM 1200 C TYR A 75 -9.599 5.386 -1.372 1.00 0.00 C ATOM 1201 O TYR A 75 -10.082 6.458 -1.737 1.00 0.00 O ATOM 1202 CB TYR A 75 -7.156 5.270 -1.907 1.00 0.00 C ATOM 1203 CG TYR A 75 -6.730 5.119 -0.462 1.00 0.00 C ATOM 1204 CD1 TYR A 75 -7.380 5.806 0.556 1.00 0.00 C ATOM 1205 CD2 TYR A 75 -5.677 4.282 -0.117 1.00 0.00 C ATOM 1206 CE1 TYR A 75 -6.991 5.662 1.875 1.00 0.00 C ATOM 1207 CE2 TYR A 75 -5.282 4.134 1.198 1.00 0.00 C ATOM 1208 CZ TYR A 75 -5.941 4.826 2.189 1.00 0.00 C ATOM 1209 OH TYR A 75 -5.550 4.679 3.500 1.00 0.00 O ATOM 0 H TYR A 75 -9.334 5.681 -3.876 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.535 3.626 -1.958 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.418 4.784 -2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.155 6.329 -2.167 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -8.202 6.463 0.313 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.158 3.737 -0.891 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.507 6.202 2.655 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.460 3.479 1.448 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.644 5.535 3.967 1.00 0.00 H new ATOM 1219 N PHE A 76 -9.970 4.773 -0.249 1.00 0.00 N ATOM 1220 CA PHE A 76 -10.990 5.355 0.622 1.00 0.00 C ATOM 1221 C PHE A 76 -11.042 4.679 1.994 1.00 0.00 C ATOM 1222 O PHE A 76 -10.844 3.468 2.113 1.00 0.00 O ATOM 1223 CB PHE A 76 -12.363 5.281 -0.052 1.00 0.00 C ATOM 1224 CG PHE A 76 -12.843 3.882 -0.334 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -13.166 3.016 0.700 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -12.980 3.436 -1.640 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -13.620 1.735 0.436 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -13.430 2.158 -1.910 1.00 0.00 C ATOM 1229 CZ PHE A 76 -13.752 1.306 -0.871 1.00 0.00 C ATOM 0 H PHE A 76 -9.586 3.886 0.076 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.717 6.397 0.786 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.094 5.782 0.583 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.324 5.835 -0.990 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.062 3.345 1.723 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.731 4.097 -2.457 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.871 1.072 1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.530 1.825 -2.933 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.106 0.307 -1.080 1.00 0.00 H new ATOM 1239 N TYR A 77 -11.324 5.481 3.023 1.00 0.00 N ATOM 1240 CA TYR A 77 -11.428 4.983 4.395 1.00 0.00 C ATOM 1241 C TYR A 77 -12.861 4.565 4.698 1.00 0.00 C ATOM 1242 O TYR A 77 -13.785 5.374 4.603 1.00 0.00 O ATOM 1243 CB TYR A 77 -11.013 6.065 5.399 1.00 0.00 C ATOM 1244 CG TYR A 77 -9.630 6.641 5.177 1.00 0.00 C ATOM 1245 CD1 TYR A 77 -8.493 5.855 5.311 1.00 0.00 C ATOM 1246 CD2 TYR A 77 -9.467 7.980 4.843 1.00 0.00 C ATOM 1247 CE1 TYR A 77 -7.233 6.387 5.115 1.00 0.00 C ATOM 1248 CE2 TYR A 77 -8.210 8.518 4.646 1.00 0.00 C ATOM 1249 CZ TYR A 77 -7.097 7.718 4.784 1.00 0.00 C ATOM 1250 OH TYR A 77 -5.845 8.253 4.587 1.00 0.00 O ATOM 0 H TYR A 77 -11.485 6.484 2.930 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.762 4.125 4.488 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -11.740 6.876 5.359 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.059 5.645 6.404 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.595 4.812 5.572 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.337 8.610 4.736 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.358 5.762 5.221 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.100 9.560 4.385 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.567 8.739 5.391 1.00 0.00 H new ATOM 1260 N LEU A 78 -13.045 3.312 5.084 1.00 0.00 N ATOM 1261 CA LEU A 78 -14.368 2.810 5.426 1.00 0.00 C ATOM 1262 C LEU A 78 -14.409 2.414 6.893 1.00 0.00 C ATOM 1263 O LEU A 78 -13.583 1.630 7.354 1.00 0.00 O ATOM 1264 CB LEU A 78 -14.740 1.618 4.543 1.00 0.00 C ATOM 1265 CG LEU A 78 -16.082 0.965 4.883 1.00 0.00 C ATOM 1266 CD1 LEU A 78 -17.185 2.007 4.921 1.00 0.00 C ATOM 1267 CD2 LEU A 78 -16.409 -0.131 3.875 1.00 0.00 C ATOM 0 H LEU A 78 -12.296 2.624 5.168 1.00 0.00 H new ATOM 0 HA LEU A 78 -15.096 3.602 5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.764 1.946 3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.955 0.866 4.622 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.008 0.511 5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -18.132 1.525 5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -16.953 2.755 5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -17.263 2.490 3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.366 -0.586 4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.467 0.300 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.628 -0.891 3.898 1.00 0.00 H new ATOM 1279 N GLY A 79 -15.361 2.969 7.632 1.00 0.00 N ATOM 1280 CA GLY A 79 -15.460 2.660 9.045 1.00 0.00 C ATOM 1281 C GLY A 79 -14.138 2.865 9.761 1.00 0.00 C ATOM 1282 O GLY A 79 -13.781 2.092 10.648 1.00 0.00 O ATOM 0 H GLY A 79 -16.061 3.623 7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.223 3.290 9.502 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.784 1.627 9.169 1.00 0.00 H new ATOM 1286 N GLN A 80 -13.414 3.915 9.362 1.00 0.00 N ATOM 1287 CA GLN A 80 -12.113 4.254 9.947 1.00 0.00 C ATOM 1288 C GLN A 80 -10.971 3.439 9.330 1.00 0.00 C ATOM 1289 O GLN A 80 -9.825 3.886 9.322 1.00 0.00 O ATOM 1290 CB GLN A 80 -12.124 4.062 11.469 1.00 0.00 C ATOM 1291 CG GLN A 80 -13.244 4.817 12.168 1.00 0.00 C ATOM 1292 CD GLN A 80 -13.242 4.603 13.670 1.00 0.00 C ATOM 1293 OE1 GLN A 80 -13.368 3.476 14.149 1.00 0.00 O ATOM 1294 NE2 GLN A 80 -13.102 5.689 14.421 1.00 0.00 N ATOM 0 H GLN A 80 -13.713 4.554 8.625 1.00 0.00 H new ATOM 0 HA GLN A 80 -11.936 5.306 9.721 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.218 2.999 11.692 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -11.167 4.389 11.875 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -13.147 5.882 11.956 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.203 4.497 11.760 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -13.001 6.604 13.981 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -13.096 5.609 15.438 1.00 0.00 H new ATOM 1303 N VAL A 81 -11.275 2.243 8.826 1.00 0.00 N ATOM 1304 CA VAL A 81 -10.262 1.391 8.229 1.00 0.00 C ATOM 1305 C VAL A 81 -9.943 1.824 6.801 1.00 0.00 C ATOM 1306 O VAL A 81 -10.841 2.082 6.002 1.00 0.00 O ATOM 1307 CB VAL A 81 -10.704 -0.086 8.248 1.00 0.00 C ATOM 1308 CG1 VAL A 81 -11.102 -0.500 9.654 1.00 0.00 C ATOM 1309 CG2 VAL A 81 -11.848 -0.355 7.274 1.00 0.00 C ATOM 0 H VAL A 81 -12.215 1.848 8.822 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.357 1.493 8.827 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.852 -0.684 7.924 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.412 -1.545 9.652 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.252 -0.375 10.325 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.929 0.123 9.996 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -12.126 -1.408 7.321 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -12.707 0.260 7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -11.529 -0.109 6.261 1.00 0.00 H new ATOM 1319 N ALA A 82 -8.658 1.901 6.482 1.00 0.00 N ATOM 1320 CA ALA A 82 -8.230 2.295 5.149 1.00 0.00 C ATOM 1321 C ALA A 82 -8.408 1.146 4.167 1.00 0.00 C ATOM 1322 O ALA A 82 -8.184 -0.010 4.513 1.00 0.00 O ATOM 1323 CB ALA A 82 -6.782 2.759 5.172 1.00 0.00 C ATOM 0 H ALA A 82 -7.896 1.696 7.128 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.854 3.126 4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.477 3.050 4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.684 3.613 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.145 1.947 5.523 1.00 0.00 H new ATOM 1329 N ILE A 83 -8.812 1.467 2.941 1.00 0.00 N ATOM 1330 CA ILE A 83 -9.011 0.447 1.920 1.00 0.00 C ATOM 1331 C ILE A 83 -8.513 0.934 0.562 1.00 0.00 C ATOM 1332 O ILE A 83 -9.156 1.752 -0.095 1.00 0.00 O ATOM 1333 CB ILE A 83 -10.494 0.042 1.814 1.00 0.00 C ATOM 1334 CG1 ILE A 83 -11.006 -0.433 3.175 1.00 0.00 C ATOM 1335 CG2 ILE A 83 -10.681 -1.046 0.764 1.00 0.00 C ATOM 1336 CD1 ILE A 83 -12.459 -0.848 3.170 1.00 0.00 C ATOM 0 H ILE A 83 -9.007 2.420 2.633 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.433 -0.428 2.218 1.00 0.00 H new ATOM 0 HB ILE A 83 -11.072 0.913 1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.399 -1.275 3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.869 0.366 3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.735 -1.317 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -10.346 -0.677 -0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -10.095 -1.923 1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.748 -1.172 4.170 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -13.078 -0.003 2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -12.600 -1.669 2.467 1.00 0.00 H new ATOM 1348 N LEU A 84 -7.349 0.431 0.165 1.00 0.00 N ATOM 1349 CA LEU A 84 -6.732 0.813 -1.104 1.00 0.00 C ATOM 1350 C LEU A 84 -6.967 -0.228 -2.198 1.00 0.00 C ATOM 1351 O LEU A 84 -6.934 -1.432 -1.947 1.00 0.00 O ATOM 1352 CB LEU A 84 -5.229 1.022 -0.905 1.00 0.00 C ATOM 1353 CG LEU A 84 -4.421 1.249 -2.188 1.00 0.00 C ATOM 1354 CD1 LEU A 84 -4.954 2.450 -2.956 1.00 0.00 C ATOM 1355 CD2 LEU A 84 -2.947 1.433 -1.856 1.00 0.00 C ATOM 0 H LEU A 84 -6.810 -0.246 0.706 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.200 1.742 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.082 1.879 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.823 0.151 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.526 0.370 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.366 2.592 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.997 2.278 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.882 3.341 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.384 1.593 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.826 2.296 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.573 0.541 -1.353 1.00 0.00 H new ATOM 1367 N LEU A 85 -7.173 0.258 -3.421 1.00 0.00 N ATOM 1368 CA LEU A 85 -7.381 -0.610 -4.580 1.00 0.00 C ATOM 1369 C LEU A 85 -6.818 0.057 -5.830 1.00 0.00 C ATOM 1370 O LEU A 85 -7.053 1.241 -6.066 1.00 0.00 O ATOM 1371 CB LEU A 85 -8.864 -0.919 -4.783 1.00 0.00 C ATOM 1372 CG LEU A 85 -9.164 -1.887 -5.931 1.00 0.00 C ATOM 1373 CD1 LEU A 85 -8.516 -3.238 -5.669 1.00 0.00 C ATOM 1374 CD2 LEU A 85 -10.665 -2.042 -6.119 1.00 0.00 C ATOM 0 H LEU A 85 -7.200 1.255 -3.636 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.860 -1.550 -4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.264 -1.337 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.394 0.016 -4.966 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.744 -1.475 -6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.739 -3.915 -6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.437 -3.113 -5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.908 -3.656 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.860 -2.733 -6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.108 -2.432 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.105 -1.072 -6.350 1.00 0.00 H new ATOM 1386 N PHE A 86 -6.055 -0.697 -6.616 1.00 0.00 N ATOM 1387 CA PHE A 86 -5.444 -0.147 -7.822 1.00 0.00 C ATOM 1388 C PHE A 86 -4.674 -1.208 -8.600 1.00 0.00 C ATOM 1389 O PHE A 86 -3.982 -2.035 -8.013 1.00 0.00 O ATOM 1390 CB PHE A 86 -4.484 0.973 -7.437 1.00 0.00 C ATOM 1391 CG PHE A 86 -3.366 0.507 -6.543 1.00 0.00 C ATOM 1392 CD1 PHE A 86 -3.620 0.118 -5.238 1.00 0.00 C ATOM 1393 CD2 PHE A 86 -2.065 0.443 -7.014 1.00 0.00 C ATOM 1394 CE1 PHE A 86 -2.599 -0.324 -4.421 1.00 0.00 C ATOM 1395 CE2 PHE A 86 -1.038 0.003 -6.201 1.00 0.00 C ATOM 1396 CZ PHE A 86 -1.307 -0.381 -4.902 1.00 0.00 C ATOM 0 H PHE A 86 -5.846 -1.680 -6.442 1.00 0.00 H new ATOM 0 HA PHE A 86 -6.245 0.231 -8.458 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.061 1.409 -8.342 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.040 1.763 -6.933 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.629 0.161 -4.855 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.851 0.741 -8.030 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.811 -0.625 -3.406 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.028 -0.040 -6.580 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.507 -0.726 -4.263 1.00 0.00 H new ATOM 1406 N LYS A 87 -4.773 -1.161 -9.926 1.00 0.00 N ATOM 1407 CA LYS A 87 -4.054 -2.110 -10.768 1.00 0.00 C ATOM 1408 C LYS A 87 -2.596 -1.697 -10.903 1.00 0.00 C ATOM 1409 O LYS A 87 -2.291 -0.530 -11.144 1.00 0.00 O ATOM 1410 CB LYS A 87 -4.693 -2.210 -12.153 1.00 0.00 C ATOM 1411 CG LYS A 87 -6.103 -2.776 -12.142 1.00 0.00 C ATOM 1412 CD LYS A 87 -6.644 -2.943 -13.554 1.00 0.00 C ATOM 1413 CE LYS A 87 -5.823 -3.943 -14.352 1.00 0.00 C ATOM 1414 NZ LYS A 87 -6.364 -4.134 -15.726 1.00 0.00 N ATOM 0 H LYS A 87 -5.339 -0.482 -10.436 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.108 -3.089 -10.291 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.714 -1.218 -12.605 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.066 -2.836 -12.787 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.106 -3.740 -11.633 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.758 -2.114 -11.575 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.681 -3.275 -13.510 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.639 -1.979 -14.063 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.791 -3.599 -14.413 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.810 -4.900 -13.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.777 -4.823 -16.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.341 -4.487 -15.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.353 -3.226 -16.233 1.00 0.00 H new ATOM 1428 N SER A 88 -1.696 -2.655 -10.750 1.00 0.00 N ATOM 1429 CA SER A 88 -0.270 -2.383 -10.856 1.00 0.00 C ATOM 1430 C SER A 88 0.483 -3.642 -11.262 1.00 0.00 C ATOM 1431 O SER A 88 1.539 -3.957 -10.715 1.00 0.00 O ATOM 1432 CB SER A 88 0.272 -1.856 -9.527 1.00 0.00 C ATOM 1433 OG SER A 88 -0.449 -0.716 -9.096 1.00 0.00 O ATOM 0 H SER A 88 -1.927 -3.629 -10.552 1.00 0.00 H new ATOM 0 HA SER A 88 -0.122 -1.623 -11.623 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.208 -2.637 -8.770 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.327 -1.603 -9.636 1.00 0.00 H new ATOM 0 HG SER A 88 -0.683 -0.815 -8.150 1.00 0.00 H new ATOM 1439 N GLY A 89 -0.077 -4.361 -12.227 1.00 0.00 N ATOM 1440 CA GLY A 89 0.544 -5.583 -12.701 1.00 0.00 C ATOM 1441 C GLY A 89 1.928 -5.348 -13.272 1.00 0.00 C ATOM 1442 O GLY A 89 2.060 -4.500 -14.180 1.00 0.00 O ATOM 1443 OXT GLY A 89 2.882 -6.013 -12.813 1.00 0.00 O ATOM 0 H GLY A 89 -0.953 -4.119 -12.691 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.610 -6.296 -11.879 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.088 -6.035 -13.465 1.00 0.00 H new TER 1447 GLY A 89 ATOM 1448 N MET B 1 11.336 4.507 24.502 1.00 0.00 N ATOM 1449 CA MET B 1 12.591 5.256 24.234 1.00 0.00 C ATOM 1450 C MET B 1 13.039 5.077 22.786 1.00 0.00 C ATOM 1451 O MET B 1 13.422 6.039 22.122 1.00 0.00 O ATOM 1452 CB MET B 1 13.674 4.748 25.188 1.00 0.00 C ATOM 1453 CG MET B 1 13.326 4.934 26.656 1.00 0.00 C ATOM 1454 SD MET B 1 14.620 4.328 27.757 1.00 0.00 S ATOM 1455 CE MET B 1 16.001 5.347 27.246 1.00 0.00 C ATOM 0 H1 MET B 1 10.891 4.874 25.368 1.00 0.00 H new ATOM 0 H2 MET B 1 10.684 4.625 23.701 1.00 0.00 H new ATOM 0 H3 MET B 1 11.554 3.498 24.626 1.00 0.00 H new ATOM 0 HA MET B 1 12.416 6.320 24.396 1.00 0.00 H new ATOM 0 HB2 MET B 1 13.849 3.689 24.996 1.00 0.00 H new ATOM 0 HB3 MET B 1 14.608 5.269 24.975 1.00 0.00 H new ATOM 0 HG2 MET B 1 13.152 5.992 26.853 1.00 0.00 H new ATOM 0 HG3 MET B 1 12.394 4.412 26.874 1.00 0.00 H new ATOM 0 HE1 MET B 1 16.746 5.375 28.041 1.00 0.00 H new ATOM 0 HE2 MET B 1 16.448 4.929 26.344 1.00 0.00 H new ATOM 0 HE3 MET B 1 15.651 6.359 27.042 1.00 0.00 H new ATOM 1467 N CYS B 2 12.991 3.839 22.306 1.00 0.00 N ATOM 1468 CA CYS B 2 13.393 3.533 20.938 1.00 0.00 C ATOM 1469 C CYS B 2 13.192 2.051 20.630 1.00 0.00 C ATOM 1470 O CYS B 2 14.069 1.398 20.063 1.00 0.00 O ATOM 1471 CB CYS B 2 14.856 3.919 20.715 1.00 0.00 C ATOM 1472 SG CYS B 2 16.021 3.058 21.797 1.00 0.00 S ATOM 0 H CYS B 2 12.678 3.031 22.844 1.00 0.00 H new ATOM 0 HA CYS B 2 12.765 4.114 20.263 1.00 0.00 H new ATOM 0 HB2 CYS B 2 15.121 3.714 19.678 1.00 0.00 H new ATOM 0 HB3 CYS B 2 14.964 4.993 20.865 1.00 0.00 H new ATOM 0 HG CYS B 2 17.232 3.450 21.531 1.00 0.00 H new ATOM 1478 N ASP B 3 12.031 1.526 21.009 1.00 0.00 N ATOM 1479 CA ASP B 3 11.713 0.122 20.773 1.00 0.00 C ATOM 1480 C ASP B 3 11.774 -0.210 19.286 1.00 0.00 C ATOM 1481 O ASP B 3 11.273 0.543 18.451 1.00 0.00 O ATOM 1482 CB ASP B 3 10.324 -0.205 21.324 1.00 0.00 C ATOM 1483 CG ASP B 3 10.219 0.045 22.816 1.00 0.00 C ATOM 1484 OD1 ASP B 3 10.423 1.203 23.240 1.00 0.00 O ATOM 1485 OD2 ASP B 3 9.932 -0.914 23.560 1.00 0.00 O ATOM 0 H ASP B 3 11.295 2.052 21.481 1.00 0.00 H new ATOM 0 HA ASP B 3 12.456 -0.485 21.291 1.00 0.00 H new ATOM 0 HB2 ASP B 3 9.579 0.398 20.804 1.00 0.00 H new ATOM 0 HB3 ASP B 3 10.091 -1.249 21.116 1.00 0.00 H new ATOM 1490 N ARG B 4 12.391 -1.342 18.962 1.00 0.00 N ATOM 1491 CA ARG B 4 12.517 -1.775 17.574 1.00 0.00 C ATOM 1492 C ARG B 4 13.200 -3.136 17.490 1.00 0.00 C ATOM 1493 O ARG B 4 14.256 -3.350 18.083 1.00 0.00 O ATOM 1494 CB ARG B 4 13.307 -0.742 16.767 1.00 0.00 C ATOM 1495 CG ARG B 4 13.441 -1.097 15.297 1.00 0.00 C ATOM 1496 CD ARG B 4 14.197 -0.031 14.512 1.00 0.00 C ATOM 1497 NE ARG B 4 13.523 1.266 14.539 1.00 0.00 N ATOM 1498 CZ ARG B 4 13.597 2.129 15.551 1.00 0.00 C ATOM 1499 NH1 ARG B 4 14.394 1.889 16.585 1.00 0.00 N ATOM 1500 NH2 ARG B 4 12.891 3.251 15.516 1.00 0.00 N ATOM 0 H ARG B 4 12.812 -1.976 19.641 1.00 0.00 H new ATOM 0 HA ARG B 4 11.516 -1.865 17.153 1.00 0.00 H new ATOM 0 HB2 ARG B 4 12.818 0.228 16.855 1.00 0.00 H new ATOM 0 HB3 ARG B 4 14.302 -0.638 17.200 1.00 0.00 H new ATOM 0 HG2 ARG B 4 13.959 -2.051 15.202 1.00 0.00 H new ATOM 0 HG3 ARG B 4 12.449 -1.228 14.865 1.00 0.00 H new ATOM 0 HD2 ARG B 4 15.201 0.076 14.924 1.00 0.00 H new ATOM 0 HD3 ARG B 4 14.310 -0.357 13.478 1.00 0.00 H new ATOM 0 HE ARG B 4 12.959 1.527 13.730 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.956 1.038 16.609 1.00 0.00 H new ATOM 0 HH12 ARG B 4 14.444 2.555 17.356 1.00 0.00 H new ATOM 0 HH21 ARG B 4 12.292 3.452 14.715 1.00 0.00 H new ATOM 0 HH22 ARG B 4 12.947 3.913 16.290 1.00 0.00 H new ATOM 1514 N LYS B 5 12.586 -4.052 16.744 1.00 0.00 N ATOM 1515 CA LYS B 5 13.121 -5.400 16.572 1.00 0.00 C ATOM 1516 C LYS B 5 12.557 -6.051 15.311 1.00 0.00 C ATOM 1517 O LYS B 5 11.351 -6.024 15.072 1.00 0.00 O ATOM 1518 CB LYS B 5 12.790 -6.271 17.788 1.00 0.00 C ATOM 1519 CG LYS B 5 13.464 -5.820 19.075 1.00 0.00 C ATOM 1520 CD LYS B 5 14.980 -5.880 18.960 1.00 0.00 C ATOM 1521 CE LYS B 5 15.654 -5.381 20.228 1.00 0.00 C ATOM 1522 NZ LYS B 5 17.138 -5.434 20.128 1.00 0.00 N ATOM 0 H LYS B 5 11.712 -3.883 16.246 1.00 0.00 H new ATOM 0 HA LYS B 5 14.204 -5.318 16.474 1.00 0.00 H new ATOM 0 HB2 LYS B 5 11.710 -6.273 17.937 1.00 0.00 H new ATOM 0 HB3 LYS B 5 13.085 -7.299 17.577 1.00 0.00 H new ATOM 0 HG2 LYS B 5 13.156 -4.801 19.311 1.00 0.00 H new ATOM 0 HG3 LYS B 5 13.135 -6.452 19.900 1.00 0.00 H new ATOM 0 HD2 LYS B 5 15.291 -6.906 18.761 1.00 0.00 H new ATOM 0 HD3 LYS B 5 15.306 -5.278 18.112 1.00 0.00 H new ATOM 0 HE2 LYS B 5 15.340 -4.356 20.426 1.00 0.00 H new ATOM 0 HE3 LYS B 5 15.326 -5.984 21.075 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 17.558 -5.085 21.013 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 17.440 -6.416 19.965 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 17.454 -4.838 19.336 1.00 0.00 H new ATOM 1536 N ALA B 6 13.443 -6.635 14.509 1.00 0.00 N ATOM 1537 CA ALA B 6 13.044 -7.296 13.270 1.00 0.00 C ATOM 1538 C ALA B 6 12.305 -8.602 13.543 1.00 0.00 C ATOM 1539 O ALA B 6 12.580 -9.295 14.523 1.00 0.00 O ATOM 1540 CB ALA B 6 14.264 -7.553 12.397 1.00 0.00 C ATOM 0 H ALA B 6 14.445 -6.664 14.696 1.00 0.00 H new ATOM 0 HA ALA B 6 12.359 -6.632 12.743 1.00 0.00 H new ATOM 0 HB1 ALA B 6 13.955 -8.046 11.476 1.00 0.00 H new ATOM 0 HB2 ALA B 6 14.746 -6.605 12.157 1.00 0.00 H new ATOM 0 HB3 ALA B 6 14.966 -8.192 12.932 1.00 0.00 H new ATOM 1546 N VAL B 7 11.368 -8.928 12.660 1.00 0.00 N ATOM 1547 CA VAL B 7 10.577 -10.148 12.779 1.00 0.00 C ATOM 1548 C VAL B 7 10.031 -10.548 11.411 1.00 0.00 C ATOM 1549 O VAL B 7 8.824 -10.497 11.168 1.00 0.00 O ATOM 1550 CB VAL B 7 9.407 -9.972 13.768 1.00 0.00 C ATOM 1551 CG1 VAL B 7 8.623 -11.269 13.910 1.00 0.00 C ATOM 1552 CG2 VAL B 7 9.919 -9.500 15.121 1.00 0.00 C ATOM 0 H VAL B 7 11.136 -8.358 11.846 1.00 0.00 H new ATOM 0 HA VAL B 7 11.231 -10.932 13.162 1.00 0.00 H new ATOM 0 HB VAL B 7 8.734 -9.211 13.372 1.00 0.00 H new ATOM 0 HG11 VAL B 7 7.802 -11.123 14.612 1.00 0.00 H new ATOM 0 HG12 VAL B 7 8.222 -11.560 12.939 1.00 0.00 H new ATOM 0 HG13 VAL B 7 9.282 -12.054 14.281 1.00 0.00 H new ATOM 0 HG21 VAL B 7 9.080 -9.381 15.806 1.00 0.00 H new ATOM 0 HG22 VAL B 7 10.615 -10.236 15.524 1.00 0.00 H new ATOM 0 HG23 VAL B 7 10.430 -8.544 15.004 1.00 0.00 H new ATOM 1562 N ILE B 8 10.939 -10.922 10.515 1.00 0.00 N ATOM 1563 CA ILE B 8 10.579 -11.309 9.154 1.00 0.00 C ATOM 1564 C ILE B 8 9.359 -12.222 9.113 1.00 0.00 C ATOM 1565 O ILE B 8 9.337 -13.286 9.731 1.00 0.00 O ATOM 1566 CB ILE B 8 11.755 -12.011 8.439 1.00 0.00 C ATOM 1567 CG1 ILE B 8 12.979 -11.092 8.400 1.00 0.00 C ATOM 1568 CG2 ILE B 8 11.356 -12.423 7.027 1.00 0.00 C ATOM 1569 CD1 ILE B 8 14.179 -11.713 7.720 1.00 0.00 C ATOM 0 H ILE B 8 11.939 -10.966 10.709 1.00 0.00 H new ATOM 0 HA ILE B 8 10.335 -10.383 8.634 1.00 0.00 H new ATOM 0 HB ILE B 8 12.011 -12.910 9.000 1.00 0.00 H new ATOM 0 HG12 ILE B 8 12.715 -10.170 7.882 1.00 0.00 H new ATOM 0 HG13 ILE B 8 13.250 -10.818 9.420 1.00 0.00 H new ATOM 0 HG21 ILE B 8 12.198 -12.916 6.540 1.00 0.00 H new ATOM 0 HG22 ILE B 8 10.511 -13.110 7.074 1.00 0.00 H new ATOM 0 HG23 ILE B 8 11.074 -11.539 6.456 1.00 0.00 H new ATOM 0 HD11 ILE B 8 15.009 -11.006 7.729 1.00 0.00 H new ATOM 0 HD12 ILE B 8 14.469 -12.620 8.251 1.00 0.00 H new ATOM 0 HD13 ILE B 8 13.925 -11.961 6.689 1.00 0.00 H new ATOM 1581 N LYS B 9 8.357 -11.796 8.352 1.00 0.00 N ATOM 1582 CA LYS B 9 7.135 -12.565 8.183 1.00 0.00 C ATOM 1583 C LYS B 9 7.303 -13.536 7.025 1.00 0.00 C ATOM 1584 O LYS B 9 6.877 -14.691 7.096 1.00 0.00 O ATOM 1585 CB LYS B 9 5.949 -11.632 7.923 1.00 0.00 C ATOM 1586 CG LYS B 9 4.631 -12.362 7.733 1.00 0.00 C ATOM 1587 CD LYS B 9 4.257 -13.170 8.966 1.00 0.00 C ATOM 1588 CE LYS B 9 4.107 -12.282 10.191 1.00 0.00 C ATOM 1589 NZ LYS B 9 3.724 -13.063 11.399 1.00 0.00 N ATOM 0 H LYS B 9 8.370 -10.914 7.839 1.00 0.00 H new ATOM 0 HA LYS B 9 6.937 -13.125 9.097 1.00 0.00 H new ATOM 0 HB2 LYS B 9 5.853 -10.938 8.758 1.00 0.00 H new ATOM 0 HB3 LYS B 9 6.155 -11.035 7.035 1.00 0.00 H new ATOM 0 HG2 LYS B 9 3.843 -11.641 7.517 1.00 0.00 H new ATOM 0 HG3 LYS B 9 4.702 -13.025 6.871 1.00 0.00 H new ATOM 0 HD2 LYS B 9 3.323 -13.701 8.784 1.00 0.00 H new ATOM 0 HD3 LYS B 9 5.021 -13.924 9.154 1.00 0.00 H new ATOM 0 HE2 LYS B 9 5.046 -11.760 10.378 1.00 0.00 H new ATOM 0 HE3 LYS B 9 3.352 -11.520 9.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 3.632 -12.421 12.212 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 2.816 -13.541 11.230 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 4.457 -13.773 11.600 1.00 0.00 H new ATOM 1603 N ASN B 10 7.936 -13.056 5.959 1.00 0.00 N ATOM 1604 CA ASN B 10 8.176 -13.874 4.777 1.00 0.00 C ATOM 1605 C ASN B 10 9.028 -13.113 3.766 1.00 0.00 C ATOM 1606 O ASN B 10 8.902 -11.895 3.632 1.00 0.00 O ATOM 1607 CB ASN B 10 6.852 -14.291 4.137 1.00 0.00 C ATOM 1608 CG ASN B 10 7.054 -15.195 2.938 1.00 0.00 C ATOM 1609 OD1 ASN B 10 6.614 -14.737 1.775 1.00 0.00 O flip ATOM 1610 ND2 ASN B 10 7.602 -16.292 3.057 1.00 0.00 N flip ATOM 0 H ASN B 10 8.292 -12.103 5.890 1.00 0.00 H new ATOM 0 HA ASN B 10 8.714 -14.771 5.085 1.00 0.00 H new ATOM 0 HB2 ASN B 10 6.239 -14.804 4.877 1.00 0.00 H new ATOM 0 HB3 ASN B 10 6.303 -13.401 3.830 1.00 0.00 H new ATOM 0 HD21 ASN B 10 7.925 -16.604 3.973 1.00 0.00 H new ATOM 0 HD22 ASN B 10 7.733 -16.888 2.240 1.00 0.00 H new ATOM 1617 N ALA B 11 9.903 -13.829 3.065 1.00 0.00 N ATOM 1618 CA ALA B 11 10.774 -13.197 2.082 1.00 0.00 C ATOM 1619 C ALA B 11 11.223 -14.177 1.002 1.00 0.00 C ATOM 1620 O ALA B 11 11.557 -15.326 1.285 1.00 0.00 O ATOM 1621 CB ALA B 11 11.982 -12.582 2.770 1.00 0.00 C ATOM 0 H ALA B 11 10.026 -14.837 3.159 1.00 0.00 H new ATOM 0 HA ALA B 11 10.199 -12.412 1.591 1.00 0.00 H new ATOM 0 HB1 ALA B 11 12.625 -12.113 2.025 1.00 0.00 H new ATOM 0 HB2 ALA B 11 11.649 -11.831 3.487 1.00 0.00 H new ATOM 0 HB3 ALA B 11 12.539 -13.360 3.292 1.00 0.00 H new ATOM 1627 N ASP B 12 11.228 -13.695 -0.237 1.00 0.00 N ATOM 1628 CA ASP B 12 11.635 -14.501 -1.384 1.00 0.00 C ATOM 1629 C ASP B 12 12.592 -13.714 -2.275 1.00 0.00 C ATOM 1630 O ASP B 12 12.194 -13.181 -3.310 1.00 0.00 O ATOM 1631 CB ASP B 12 10.412 -14.942 -2.193 1.00 0.00 C ATOM 1632 CG ASP B 12 9.473 -15.829 -1.401 1.00 0.00 C ATOM 1633 OD1 ASP B 12 9.783 -16.130 -0.228 1.00 0.00 O ATOM 1634 OD2 ASP B 12 8.427 -16.228 -1.954 1.00 0.00 O ATOM 0 H ASP B 12 10.952 -12.742 -0.474 1.00 0.00 H new ATOM 0 HA ASP B 12 12.148 -15.388 -1.013 1.00 0.00 H new ATOM 0 HB2 ASP B 12 9.870 -14.060 -2.534 1.00 0.00 H new ATOM 0 HB3 ASP B 12 10.744 -15.476 -3.083 1.00 0.00 H new ATOM 1639 N MET B 13 13.851 -13.634 -1.856 1.00 0.00 N ATOM 1640 CA MET B 13 14.859 -12.898 -2.609 1.00 0.00 C ATOM 1641 C MET B 13 16.241 -13.052 -1.976 1.00 0.00 C ATOM 1642 O MET B 13 16.366 -13.502 -0.838 1.00 0.00 O ATOM 1643 CB MET B 13 14.469 -11.423 -2.684 1.00 0.00 C ATOM 1644 CG MET B 13 14.254 -10.784 -1.320 1.00 0.00 C ATOM 1645 SD MET B 13 13.303 -9.254 -1.413 1.00 0.00 S ATOM 1646 CE MET B 13 14.249 -8.339 -2.621 1.00 0.00 C ATOM 0 H MET B 13 14.197 -14.069 -1.001 1.00 0.00 H new ATOM 0 HA MET B 13 14.907 -13.309 -3.617 1.00 0.00 H new ATOM 0 HB2 MET B 13 15.248 -10.876 -3.215 1.00 0.00 H new ATOM 0 HB3 MET B 13 13.555 -11.326 -3.270 1.00 0.00 H new ATOM 0 HG2 MET B 13 13.737 -11.490 -0.670 1.00 0.00 H new ATOM 0 HG3 MET B 13 15.222 -10.579 -0.862 1.00 0.00 H new ATOM 0 HE1 MET B 13 14.337 -7.300 -2.303 1.00 0.00 H new ATOM 0 HE2 MET B 13 15.244 -8.776 -2.711 1.00 0.00 H new ATOM 0 HE3 MET B 13 13.745 -8.382 -3.586 1.00 0.00 H new ATOM 1656 N SER B 14 17.277 -12.685 -2.729 1.00 0.00 N ATOM 1657 CA SER B 14 18.657 -12.790 -2.253 1.00 0.00 C ATOM 1658 C SER B 14 18.801 -12.266 -0.826 1.00 0.00 C ATOM 1659 O SER B 14 18.252 -11.221 -0.480 1.00 0.00 O ATOM 1660 CB SER B 14 19.595 -12.021 -3.185 1.00 0.00 C ATOM 1661 OG SER B 14 20.938 -12.103 -2.740 1.00 0.00 O ATOM 0 H SER B 14 17.187 -12.311 -3.674 1.00 0.00 H new ATOM 0 HA SER B 14 18.928 -13.846 -2.253 1.00 0.00 H new ATOM 0 HB2 SER B 14 19.518 -12.423 -4.195 1.00 0.00 H new ATOM 0 HB3 SER B 14 19.288 -10.976 -3.233 1.00 0.00 H new ATOM 0 HG SER B 14 21.517 -11.605 -3.354 1.00 0.00 H new ATOM 1667 N GLU B 15 19.540 -13.009 -0.004 1.00 0.00 N ATOM 1668 CA GLU B 15 19.757 -12.635 1.392 1.00 0.00 C ATOM 1669 C GLU B 15 20.233 -11.191 1.521 1.00 0.00 C ATOM 1670 O GLU B 15 19.723 -10.433 2.345 1.00 0.00 O ATOM 1671 CB GLU B 15 20.770 -13.579 2.053 1.00 0.00 C ATOM 1672 CG GLU B 15 22.182 -13.471 1.496 1.00 0.00 C ATOM 1673 CD GLU B 15 22.270 -13.849 0.030 1.00 0.00 C ATOM 1674 OE1 GLU B 15 21.938 -15.004 -0.306 1.00 0.00 O ATOM 1675 OE2 GLU B 15 22.672 -12.989 -0.782 1.00 0.00 O ATOM 0 H GLU B 15 20.000 -13.876 -0.282 1.00 0.00 H new ATOM 0 HA GLU B 15 18.799 -12.722 1.904 1.00 0.00 H new ATOM 0 HB2 GLU B 15 20.797 -13.372 3.123 1.00 0.00 H new ATOM 0 HB3 GLU B 15 20.423 -14.606 1.935 1.00 0.00 H new ATOM 0 HG2 GLU B 15 22.540 -12.450 1.625 1.00 0.00 H new ATOM 0 HG3 GLU B 15 22.845 -14.116 2.073 1.00 0.00 H new ATOM 1682 N GLU B 16 21.208 -10.813 0.704 1.00 0.00 N ATOM 1683 CA GLU B 16 21.738 -9.456 0.737 1.00 0.00 C ATOM 1684 C GLU B 16 20.654 -8.447 0.385 1.00 0.00 C ATOM 1685 O GLU B 16 20.571 -7.373 0.981 1.00 0.00 O ATOM 1686 CB GLU B 16 22.917 -9.317 -0.228 1.00 0.00 C ATOM 1687 CG GLU B 16 24.091 -10.222 0.109 1.00 0.00 C ATOM 1688 CD GLU B 16 25.247 -10.068 -0.860 1.00 0.00 C ATOM 1689 OE1 GLU B 16 25.132 -9.252 -1.799 1.00 0.00 O ATOM 1690 OE2 GLU B 16 26.270 -10.763 -0.679 1.00 0.00 O ATOM 0 H GLU B 16 21.646 -11.423 0.014 1.00 0.00 H new ATOM 0 HA GLU B 16 22.087 -9.253 1.749 1.00 0.00 H new ATOM 0 HB2 GLU B 16 22.576 -9.540 -1.239 1.00 0.00 H new ATOM 0 HB3 GLU B 16 23.256 -8.281 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU B 16 24.437 -10.000 1.119 1.00 0.00 H new ATOM 0 HG3 GLU B 16 23.757 -11.259 0.107 1.00 0.00 H new ATOM 1697 N MET B 17 19.825 -8.801 -0.588 1.00 0.00 N ATOM 1698 CA MET B 17 18.743 -7.930 -1.025 1.00 0.00 C ATOM 1699 C MET B 17 17.710 -7.760 0.088 1.00 0.00 C ATOM 1700 O MET B 17 17.307 -6.640 0.406 1.00 0.00 O ATOM 1701 CB MET B 17 18.091 -8.501 -2.287 1.00 0.00 C ATOM 1702 CG MET B 17 17.281 -7.486 -3.081 1.00 0.00 C ATOM 1703 SD MET B 17 16.825 -8.105 -4.711 1.00 0.00 S ATOM 1704 CE MET B 17 18.440 -8.433 -5.413 1.00 0.00 C ATOM 0 H MET B 17 19.882 -9.687 -1.090 1.00 0.00 H new ATOM 0 HA MET B 17 19.153 -6.947 -1.258 1.00 0.00 H new ATOM 0 HB2 MET B 17 18.869 -8.913 -2.930 1.00 0.00 H new ATOM 0 HB3 MET B 17 17.440 -9.328 -2.004 1.00 0.00 H new ATOM 0 HG2 MET B 17 16.379 -7.230 -2.526 1.00 0.00 H new ATOM 0 HG3 MET B 17 17.859 -6.568 -3.191 1.00 0.00 H new ATOM 0 HE1 MET B 17 18.561 -7.859 -6.332 1.00 0.00 H new ATOM 0 HE2 MET B 17 19.212 -8.143 -4.700 1.00 0.00 H new ATOM 0 HE3 MET B 17 18.531 -9.496 -5.635 1.00 0.00 H new ATOM 1714 N GLN B 18 17.293 -8.873 0.692 1.00 0.00 N ATOM 1715 CA GLN B 18 16.320 -8.821 1.776 1.00 0.00 C ATOM 1716 C GLN B 18 16.920 -8.141 3.002 1.00 0.00 C ATOM 1717 O GLN B 18 16.246 -7.372 3.689 1.00 0.00 O ATOM 1718 CB GLN B 18 15.822 -10.224 2.127 1.00 0.00 C ATOM 1719 CG GLN B 18 16.930 -11.207 2.447 1.00 0.00 C ATOM 1720 CD GLN B 18 16.404 -12.611 2.667 1.00 0.00 C ATOM 1721 OE1 GLN B 18 16.686 -13.498 1.723 1.00 0.00 O flip ATOM 1722 NE2 GLN B 18 15.734 -12.886 3.662 1.00 0.00 N flip ATOM 0 H GLN B 18 17.612 -9.811 0.450 1.00 0.00 H new ATOM 0 HA GLN B 18 15.466 -8.233 1.440 1.00 0.00 H new ATOM 0 HB2 GLN B 18 15.151 -10.157 2.983 1.00 0.00 H new ATOM 0 HB3 GLN B 18 15.237 -10.610 1.293 1.00 0.00 H new ATOM 0 HG2 GLN B 18 17.653 -11.215 1.631 1.00 0.00 H new ATOM 0 HG3 GLN B 18 17.461 -10.876 3.340 1.00 0.00 H new ATOM 0 HE21 GLN B 18 15.543 -12.169 4.362 1.00 0.00 H new ATOM 0 HE22 GLN B 18 15.370 -13.831 3.786 1.00 0.00 H new ATOM 1731 N GLN B 19 18.199 -8.402 3.252 1.00 0.00 N ATOM 1732 CA GLN B 19 18.892 -7.787 4.368 1.00 0.00 C ATOM 1733 C GLN B 19 18.995 -6.297 4.116 1.00 0.00 C ATOM 1734 O GLN B 19 18.882 -5.486 5.033 1.00 0.00 O ATOM 1735 CB GLN B 19 20.283 -8.399 4.539 1.00 0.00 C ATOM 1736 CG GLN B 19 21.070 -7.796 5.686 1.00 0.00 C ATOM 1737 CD GLN B 19 22.442 -8.423 5.844 1.00 0.00 C ATOM 1738 OE1 GLN B 19 22.565 -9.626 6.072 1.00 0.00 O ATOM 1739 NE2 GLN B 19 23.483 -7.606 5.727 1.00 0.00 N ATOM 0 H GLN B 19 18.772 -9.035 2.695 1.00 0.00 H new ATOM 0 HA GLN B 19 18.334 -7.965 5.287 1.00 0.00 H new ATOM 0 HB2 GLN B 19 20.182 -9.472 4.702 1.00 0.00 H new ATOM 0 HB3 GLN B 19 20.845 -8.269 3.614 1.00 0.00 H new ATOM 0 HG2 GLN B 19 21.181 -6.724 5.522 1.00 0.00 H new ATOM 0 HG3 GLN B 19 20.509 -7.920 6.612 1.00 0.00 H new ATOM 0 HE21 GLN B 19 23.335 -6.615 5.538 1.00 0.00 H new ATOM 0 HE22 GLN B 19 24.431 -7.970 5.827 1.00 0.00 H new ATOM 1748 N ASP B 20 19.181 -5.948 2.846 1.00 0.00 N ATOM 1749 CA ASP B 20 19.266 -4.556 2.453 1.00 0.00 C ATOM 1750 C ASP B 20 17.974 -3.848 2.829 1.00 0.00 C ATOM 1751 O ASP B 20 17.985 -2.711 3.297 1.00 0.00 O ATOM 1752 CB ASP B 20 19.523 -4.431 0.949 1.00 0.00 C ATOM 1753 CG ASP B 20 19.644 -2.988 0.502 1.00 0.00 C ATOM 1754 OD1 ASP B 20 20.555 -2.288 0.992 1.00 0.00 O ATOM 1755 OD2 ASP B 20 18.826 -2.556 -0.339 1.00 0.00 O ATOM 0 H ASP B 20 19.275 -6.612 2.078 1.00 0.00 H new ATOM 0 HA ASP B 20 20.101 -4.090 2.976 1.00 0.00 H new ATOM 0 HB2 ASP B 20 20.438 -4.966 0.694 1.00 0.00 H new ATOM 0 HB3 ASP B 20 18.711 -4.911 0.403 1.00 0.00 H new ATOM 1760 N SER B 21 16.858 -4.548 2.636 1.00 0.00 N ATOM 1761 CA SER B 21 15.547 -4.009 2.974 1.00 0.00 C ATOM 1762 C SER B 21 15.461 -3.754 4.474 1.00 0.00 C ATOM 1763 O SER B 21 14.927 -2.736 4.913 1.00 0.00 O ATOM 1764 CB SER B 21 14.443 -4.979 2.548 1.00 0.00 C ATOM 1765 OG SER B 21 14.496 -5.239 1.156 1.00 0.00 O ATOM 0 H SER B 21 16.838 -5.491 2.247 1.00 0.00 H new ATOM 0 HA SER B 21 15.410 -3.068 2.441 1.00 0.00 H new ATOM 0 HB2 SER B 21 14.545 -5.914 3.099 1.00 0.00 H new ATOM 0 HB3 SER B 21 13.470 -4.561 2.805 1.00 0.00 H new ATOM 0 HG SER B 21 14.523 -4.391 0.666 1.00 0.00 H new ATOM 1771 N VAL B 22 15.995 -4.690 5.253 1.00 0.00 N ATOM 1772 CA VAL B 22 15.989 -4.578 6.707 1.00 0.00 C ATOM 1773 C VAL B 22 16.677 -3.296 7.157 1.00 0.00 C ATOM 1774 O VAL B 22 16.160 -2.565 8.002 1.00 0.00 O ATOM 1775 CB VAL B 22 16.670 -5.801 7.361 1.00 0.00 C ATOM 1776 CG1 VAL B 22 16.760 -5.632 8.872 1.00 0.00 C ATOM 1777 CG2 VAL B 22 15.916 -7.075 7.010 1.00 0.00 C ATOM 0 H VAL B 22 16.439 -5.538 4.899 1.00 0.00 H new ATOM 0 HA VAL B 22 14.948 -4.547 7.030 1.00 0.00 H new ATOM 0 HB VAL B 22 17.685 -5.876 6.970 1.00 0.00 H new ATOM 0 HG11 VAL B 22 17.243 -6.506 9.308 1.00 0.00 H new ATOM 0 HG12 VAL B 22 17.344 -4.741 9.104 1.00 0.00 H new ATOM 0 HG13 VAL B 22 15.757 -5.527 9.287 1.00 0.00 H new ATOM 0 HG21 VAL B 22 16.407 -7.929 7.477 1.00 0.00 H new ATOM 0 HG22 VAL B 22 14.891 -7.003 7.373 1.00 0.00 H new ATOM 0 HG23 VAL B 22 15.910 -7.208 5.928 1.00 0.00 H new ATOM 1787 N GLU B 23 17.829 -3.019 6.572 1.00 0.00 N ATOM 1788 CA GLU B 23 18.576 -1.810 6.889 1.00 0.00 C ATOM 1789 C GLU B 23 17.908 -0.616 6.233 1.00 0.00 C ATOM 1790 O GLU B 23 17.876 0.482 6.789 1.00 0.00 O ATOM 1791 CB GLU B 23 20.026 -1.933 6.417 1.00 0.00 C ATOM 1792 CG GLU B 23 20.777 -3.093 7.049 1.00 0.00 C ATOM 1793 CD GLU B 23 22.209 -3.195 6.564 1.00 0.00 C ATOM 1794 OE1 GLU B 23 22.411 -3.364 5.343 1.00 0.00 O ATOM 1795 OE2 GLU B 23 23.128 -3.104 7.404 1.00 0.00 O ATOM 0 H GLU B 23 18.270 -3.616 5.872 1.00 0.00 H new ATOM 0 HA GLU B 23 18.582 -1.670 7.970 1.00 0.00 H new ATOM 0 HB2 GLU B 23 20.037 -2.051 5.334 1.00 0.00 H new ATOM 0 HB3 GLU B 23 20.552 -1.005 6.642 1.00 0.00 H new ATOM 0 HG2 GLU B 23 20.772 -2.977 8.133 1.00 0.00 H new ATOM 0 HG3 GLU B 23 20.255 -4.023 6.826 1.00 0.00 H new ATOM 1802 N CYS B 24 17.359 -0.850 5.050 1.00 0.00 N ATOM 1803 CA CYS B 24 16.667 0.187 4.309 1.00 0.00 C ATOM 1804 C CYS B 24 15.438 0.640 5.085 1.00 0.00 C ATOM 1805 O CYS B 24 15.060 1.811 5.043 1.00 0.00 O ATOM 1806 CB CYS B 24 16.266 -0.325 2.925 1.00 0.00 C ATOM 1807 SG CYS B 24 15.518 0.930 1.861 1.00 0.00 S ATOM 0 H CYS B 24 17.381 -1.756 4.583 1.00 0.00 H new ATOM 0 HA CYS B 24 17.336 1.037 4.178 1.00 0.00 H new ATOM 0 HB2 CYS B 24 17.149 -0.727 2.428 1.00 0.00 H new ATOM 0 HB3 CYS B 24 15.564 -1.150 3.044 1.00 0.00 H new ATOM 0 HG CYS B 24 15.602 0.553 0.620 1.00 0.00 H new ATOM 1813 N ALA B 25 14.827 -0.298 5.808 1.00 0.00 N ATOM 1814 CA ALA B 25 13.654 0.003 6.607 1.00 0.00 C ATOM 1815 C ALA B 25 14.063 0.681 7.901 1.00 0.00 C ATOM 1816 O ALA B 25 13.491 1.696 8.295 1.00 0.00 O ATOM 1817 CB ALA B 25 12.875 -1.267 6.904 1.00 0.00 C ATOM 0 H ALA B 25 15.130 -1.271 5.853 1.00 0.00 H new ATOM 0 HA ALA B 25 13.013 0.680 6.042 1.00 0.00 H new ATOM 0 HB1 ALA B 25 11.998 -1.024 7.504 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.558 -1.727 5.968 1.00 0.00 H new ATOM 0 HB3 ALA B 25 13.509 -1.963 7.453 1.00 0.00 H new ATOM 1823 N THR B 26 15.068 0.113 8.554 1.00 0.00 N ATOM 1824 CA THR B 26 15.569 0.660 9.806 1.00 0.00 C ATOM 1825 C THR B 26 15.985 2.111 9.613 1.00 0.00 C ATOM 1826 O THR B 26 15.540 3.002 10.338 1.00 0.00 O ATOM 1827 CB THR B 26 16.750 -0.166 10.318 1.00 0.00 C ATOM 1828 OG1 THR B 26 16.367 -1.514 10.527 1.00 0.00 O ATOM 1829 CG2 THR B 26 17.326 0.353 11.618 1.00 0.00 C ATOM 0 H THR B 26 15.552 -0.727 8.237 1.00 0.00 H new ATOM 0 HA THR B 26 14.772 0.617 10.548 1.00 0.00 H new ATOM 0 HB THR B 26 17.513 -0.087 9.544 1.00 0.00 H new ATOM 0 HG1 THR B 26 16.362 -1.989 9.670 1.00 0.00 H new ATOM 0 HG21 THR B 26 18.160 -0.279 11.924 1.00 0.00 H new ATOM 0 HG22 THR B 26 17.677 1.375 11.478 1.00 0.00 H new ATOM 0 HG23 THR B 26 16.556 0.337 12.389 1.00 0.00 H new ATOM 1837 N GLN B 27 16.827 2.339 8.616 1.00 0.00 N ATOM 1838 CA GLN B 27 17.292 3.685 8.305 1.00 0.00 C ATOM 1839 C GLN B 27 16.125 4.553 7.846 1.00 0.00 C ATOM 1840 O GLN B 27 16.053 5.739 8.166 1.00 0.00 O ATOM 1841 CB GLN B 27 18.372 3.639 7.221 1.00 0.00 C ATOM 1842 CG GLN B 27 19.607 2.854 7.626 1.00 0.00 C ATOM 1843 CD GLN B 27 20.288 3.429 8.853 1.00 0.00 C ATOM 1844 OE1 GLN B 27 20.716 4.583 8.855 1.00 0.00 O ATOM 1845 NE2 GLN B 27 20.390 2.627 9.905 1.00 0.00 N ATOM 0 H GLN B 27 17.203 1.611 8.008 1.00 0.00 H new ATOM 0 HA GLN B 27 17.721 4.121 9.207 1.00 0.00 H new ATOM 0 HB2 GLN B 27 17.950 3.197 6.318 1.00 0.00 H new ATOM 0 HB3 GLN B 27 18.666 4.658 6.969 1.00 0.00 H new ATOM 0 HG2 GLN B 27 19.327 1.819 7.822 1.00 0.00 H new ATOM 0 HG3 GLN B 27 20.313 2.841 6.796 1.00 0.00 H new ATOM 0 HE21 GLN B 27 20.021 1.677 9.860 1.00 0.00 H new ATOM 0 HE22 GLN B 27 20.837 2.960 10.759 1.00 0.00 H new ATOM 1854 N ALA B 28 15.212 3.946 7.094 1.00 0.00 N ATOM 1855 CA ALA B 28 14.039 4.646 6.584 1.00 0.00 C ATOM 1856 C ALA B 28 13.190 5.209 7.722 1.00 0.00 C ATOM 1857 O ALA B 28 12.669 6.321 7.627 1.00 0.00 O ATOM 1858 CB ALA B 28 13.206 3.716 5.716 1.00 0.00 C ATOM 0 H ALA B 28 15.263 2.964 6.823 1.00 0.00 H new ATOM 0 HA ALA B 28 14.385 5.483 5.978 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.333 4.252 5.342 1.00 0.00 H new ATOM 0 HB2 ALA B 28 13.806 3.368 4.875 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.880 2.860 6.308 1.00 0.00 H new ATOM 1864 N LEU B 29 13.061 4.439 8.799 1.00 0.00 N ATOM 1865 CA LEU B 29 12.281 4.867 9.955 1.00 0.00 C ATOM 1866 C LEU B 29 12.996 6.000 10.672 1.00 0.00 C ATOM 1867 O LEU B 29 12.377 6.968 11.115 1.00 0.00 O ATOM 1868 CB LEU B 29 12.063 3.700 10.921 1.00 0.00 C ATOM 1869 CG LEU B 29 11.253 2.528 10.361 1.00 0.00 C ATOM 1870 CD1 LEU B 29 11.145 1.416 11.391 1.00 0.00 C ATOM 1871 CD2 LEU B 29 9.871 2.994 9.933 1.00 0.00 C ATOM 0 H LEU B 29 13.486 3.517 8.895 1.00 0.00 H new ATOM 0 HA LEU B 29 11.310 5.216 9.605 1.00 0.00 H new ATOM 0 HB2 LEU B 29 13.036 3.328 11.240 1.00 0.00 H new ATOM 0 HB3 LEU B 29 11.558 4.076 11.811 1.00 0.00 H new ATOM 0 HG LEU B 29 11.771 2.137 9.486 1.00 0.00 H new ATOM 0 HD11 LEU B 29 10.566 0.591 10.976 1.00 0.00 H new ATOM 0 HD12 LEU B 29 12.143 1.064 11.652 1.00 0.00 H new ATOM 0 HD13 LEU B 29 10.648 1.795 12.284 1.00 0.00 H new ATOM 0 HD21 LEU B 29 9.308 2.149 9.537 1.00 0.00 H new ATOM 0 HD22 LEU B 29 9.345 3.410 10.792 1.00 0.00 H new ATOM 0 HD23 LEU B 29 9.967 3.758 9.162 1.00 0.00 H new ATOM 1883 N GLU B 30 14.307 5.861 10.778 1.00 0.00 N ATOM 1884 CA GLU B 30 15.139 6.851 11.435 1.00 0.00 C ATOM 1885 C GLU B 30 15.021 8.215 10.757 1.00 0.00 C ATOM 1886 O GLU B 30 15.026 9.250 11.423 1.00 0.00 O ATOM 1887 CB GLU B 30 16.593 6.383 11.429 1.00 0.00 C ATOM 1888 CG GLU B 30 17.547 7.374 12.063 1.00 0.00 C ATOM 1889 CD GLU B 30 18.982 6.884 12.076 1.00 0.00 C ATOM 1890 OE1 GLU B 30 19.233 5.763 11.584 1.00 0.00 O ATOM 1891 OE2 GLU B 30 19.856 7.621 12.579 1.00 0.00 O ATOM 0 H GLU B 30 14.822 5.060 10.412 1.00 0.00 H new ATOM 0 HA GLU B 30 14.795 6.961 12.464 1.00 0.00 H new ATOM 0 HB2 GLU B 30 16.663 5.433 11.958 1.00 0.00 H new ATOM 0 HB3 GLU B 30 16.903 6.198 10.400 1.00 0.00 H new ATOM 0 HG2 GLU B 30 17.495 8.318 11.521 1.00 0.00 H new ATOM 0 HG3 GLU B 30 17.228 7.575 13.085 1.00 0.00 H new ATOM 1898 N LYS B 31 14.922 8.208 9.433 1.00 0.00 N ATOM 1899 CA LYS B 31 14.811 9.443 8.668 1.00 0.00 C ATOM 1900 C LYS B 31 13.369 9.921 8.609 1.00 0.00 C ATOM 1901 O LYS B 31 13.074 11.085 8.882 1.00 0.00 O ATOM 1902 CB LYS B 31 15.352 9.236 7.252 1.00 0.00 C ATOM 1903 CG LYS B 31 16.798 8.771 7.214 1.00 0.00 C ATOM 1904 CD LYS B 31 17.278 8.560 5.787 1.00 0.00 C ATOM 1905 CE LYS B 31 18.716 8.068 5.750 1.00 0.00 C ATOM 1906 NZ LYS B 31 19.649 9.035 6.392 1.00 0.00 N ATOM 0 H LYS B 31 14.916 7.360 8.867 1.00 0.00 H new ATOM 0 HA LYS B 31 15.404 10.207 9.170 1.00 0.00 H new ATOM 0 HB2 LYS B 31 14.730 8.503 6.738 1.00 0.00 H new ATOM 0 HB3 LYS B 31 15.265 10.171 6.699 1.00 0.00 H new ATOM 0 HG2 LYS B 31 17.432 9.509 7.707 1.00 0.00 H new ATOM 0 HG3 LYS B 31 16.897 7.841 7.774 1.00 0.00 H new ATOM 0 HD2 LYS B 31 16.632 7.838 5.288 1.00 0.00 H new ATOM 0 HD3 LYS B 31 17.198 9.495 5.233 1.00 0.00 H new ATOM 0 HE2 LYS B 31 18.784 7.106 6.258 1.00 0.00 H new ATOM 0 HE3 LYS B 31 19.018 7.904 4.715 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 20.630 8.770 6.171 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 19.460 9.992 6.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 19.510 9.020 7.423 1.00 0.00 H new ATOM 1920 N TYR B 32 12.472 9.014 8.243 1.00 0.00 N ATOM 1921 CA TYR B 32 11.057 9.338 8.138 1.00 0.00 C ATOM 1922 C TYR B 32 10.263 8.715 9.282 1.00 0.00 C ATOM 1923 O TYR B 32 10.476 7.556 9.637 1.00 0.00 O ATOM 1924 CB TYR B 32 10.508 8.865 6.794 1.00 0.00 C ATOM 1925 CG TYR B 32 11.170 9.532 5.610 1.00 0.00 C ATOM 1926 CD1 TYR B 32 11.050 10.901 5.404 1.00 0.00 C ATOM 1927 CD2 TYR B 32 11.921 8.796 4.702 1.00 0.00 C ATOM 1928 CE1 TYR B 32 11.657 11.516 4.325 1.00 0.00 C ATOM 1929 CE2 TYR B 32 12.531 9.404 3.622 1.00 0.00 C ATOM 1930 CZ TYR B 32 12.397 10.764 3.439 1.00 0.00 C ATOM 1931 OH TYR B 32 13.003 11.374 2.365 1.00 0.00 O ATOM 0 H TYR B 32 12.701 8.047 8.014 1.00 0.00 H new ATOM 0 HA TYR B 32 10.951 10.421 8.205 1.00 0.00 H new ATOM 0 HB2 TYR B 32 10.640 7.786 6.715 1.00 0.00 H new ATOM 0 HB3 TYR B 32 9.436 9.059 6.759 1.00 0.00 H new ATOM 0 HD1 TYR B 32 10.473 11.494 6.098 1.00 0.00 H new ATOM 0 HD2 TYR B 32 12.030 7.731 4.843 1.00 0.00 H new ATOM 0 HE1 TYR B 32 11.552 12.581 4.177 1.00 0.00 H new ATOM 0 HE2 TYR B 32 13.110 8.817 2.924 1.00 0.00 H new ATOM 0 HH TYR B 32 13.487 10.704 1.838 1.00 0.00 H new ATOM 1941 N ASN B 33 9.355 9.495 9.863 1.00 0.00 N ATOM 1942 CA ASN B 33 8.541 9.012 10.974 1.00 0.00 C ATOM 1943 C ASN B 33 7.088 8.789 10.563 1.00 0.00 C ATOM 1944 O ASN B 33 6.179 8.940 11.379 1.00 0.00 O ATOM 1945 CB ASN B 33 8.610 9.995 12.145 1.00 0.00 C ATOM 1946 CG ASN B 33 8.148 11.388 11.764 1.00 0.00 C ATOM 1947 OD1 ASN B 33 7.002 11.585 11.361 1.00 0.00 O ATOM 1948 ND2 ASN B 33 9.040 12.362 11.890 1.00 0.00 N ATOM 0 H ASN B 33 9.165 10.458 9.585 1.00 0.00 H new ATOM 0 HA ASN B 33 8.947 8.049 11.283 1.00 0.00 H new ATOM 0 HB2 ASN B 33 7.994 9.623 12.964 1.00 0.00 H new ATOM 0 HB3 ASN B 33 9.635 10.044 12.514 1.00 0.00 H new ATOM 0 HD21 ASN B 33 8.787 13.320 11.649 1.00 0.00 H new ATOM 0 HD22 ASN B 33 9.979 12.153 12.228 1.00 0.00 H new ATOM 1955 N ILE B 34 6.871 8.408 9.307 1.00 0.00 N ATOM 1956 CA ILE B 34 5.534 8.142 8.803 1.00 0.00 C ATOM 1957 C ILE B 34 5.607 7.145 7.652 1.00 0.00 C ATOM 1958 O ILE B 34 6.358 7.329 6.695 1.00 0.00 O ATOM 1959 CB ILE B 34 4.822 9.435 8.351 1.00 0.00 C ATOM 1960 CG1 ILE B 34 4.644 10.390 9.534 1.00 0.00 C ATOM 1961 CG2 ILE B 34 3.464 9.120 7.736 1.00 0.00 C ATOM 1962 CD1 ILE B 34 3.757 9.833 10.631 1.00 0.00 C ATOM 0 H ILE B 34 7.612 8.277 8.618 1.00 0.00 H new ATOM 0 HA ILE B 34 4.946 7.717 9.616 1.00 0.00 H new ATOM 0 HB ILE B 34 5.445 9.914 7.596 1.00 0.00 H new ATOM 0 HG12 ILE B 34 5.623 10.624 9.953 1.00 0.00 H new ATOM 0 HG13 ILE B 34 4.219 11.327 9.174 1.00 0.00 H new ATOM 0 HG21 ILE B 34 2.982 10.047 7.425 1.00 0.00 H new ATOM 0 HG22 ILE B 34 3.598 8.473 6.869 1.00 0.00 H new ATOM 0 HG23 ILE B 34 2.839 8.615 8.473 1.00 0.00 H new ATOM 0 HD11 ILE B 34 3.675 10.562 11.437 1.00 0.00 H new ATOM 0 HD12 ILE B 34 2.766 9.625 10.227 1.00 0.00 H new ATOM 0 HD13 ILE B 34 4.192 8.911 11.018 1.00 0.00 H new ATOM 1974 N GLU B 35 4.833 6.080 7.780 1.00 0.00 N ATOM 1975 CA GLU B 35 4.793 5.001 6.795 1.00 0.00 C ATOM 1976 C GLU B 35 4.836 5.502 5.351 1.00 0.00 C ATOM 1977 O GLU B 35 5.476 4.891 4.496 1.00 0.00 O ATOM 1978 CB GLU B 35 3.531 4.163 7.004 1.00 0.00 C ATOM 1979 CG GLU B 35 3.575 3.252 8.228 1.00 0.00 C ATOM 1980 CD GLU B 35 3.787 3.993 9.535 1.00 0.00 C ATOM 1981 OE1 GLU B 35 4.885 4.554 9.733 1.00 0.00 O ATOM 1982 OE2 GLU B 35 2.853 4.009 10.365 1.00 0.00 O ATOM 0 H GLU B 35 4.209 5.935 8.574 1.00 0.00 H new ATOM 0 HA GLU B 35 5.688 4.399 6.951 1.00 0.00 H new ATOM 0 HB2 GLU B 35 2.676 4.833 7.095 1.00 0.00 H new ATOM 0 HB3 GLU B 35 3.364 3.552 6.117 1.00 0.00 H new ATOM 0 HG2 GLU B 35 2.642 2.692 8.286 1.00 0.00 H new ATOM 0 HG3 GLU B 35 4.376 2.524 8.099 1.00 0.00 H new ATOM 1989 N LYS B 36 4.134 6.592 5.079 1.00 0.00 N ATOM 1990 CA LYS B 36 4.079 7.146 3.725 1.00 0.00 C ATOM 1991 C LYS B 36 5.475 7.398 3.158 1.00 0.00 C ATOM 1992 O LYS B 36 5.794 6.954 2.053 1.00 0.00 O ATOM 1993 CB LYS B 36 3.261 8.442 3.701 1.00 0.00 C ATOM 1994 CG LYS B 36 3.920 9.605 4.425 1.00 0.00 C ATOM 1995 CD LYS B 36 3.012 10.824 4.461 1.00 0.00 C ATOM 1996 CE LYS B 36 3.672 11.988 5.185 1.00 0.00 C ATOM 1997 NZ LYS B 36 4.943 12.407 4.529 1.00 0.00 N ATOM 0 H LYS B 36 3.595 7.112 5.771 1.00 0.00 H new ATOM 0 HA LYS B 36 3.589 6.405 3.094 1.00 0.00 H new ATOM 0 HB2 LYS B 36 3.083 8.727 2.664 1.00 0.00 H new ATOM 0 HB3 LYS B 36 2.287 8.253 4.152 1.00 0.00 H new ATOM 0 HG2 LYS B 36 4.171 9.306 5.443 1.00 0.00 H new ATOM 0 HG3 LYS B 36 4.856 9.861 3.928 1.00 0.00 H new ATOM 0 HD2 LYS B 36 2.761 11.122 3.443 1.00 0.00 H new ATOM 0 HD3 LYS B 36 2.076 10.568 4.958 1.00 0.00 H new ATOM 0 HE2 LYS B 36 2.984 12.833 5.215 1.00 0.00 H new ATOM 0 HE3 LYS B 36 3.874 11.705 6.218 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 5.719 12.371 5.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 5.154 11.765 3.739 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 4.844 13.378 4.169 1.00 0.00 H new ATOM 2011 N ASP B 37 6.307 8.106 3.914 1.00 0.00 N ATOM 2012 CA ASP B 37 7.663 8.402 3.476 1.00 0.00 C ATOM 2013 C ASP B 37 8.551 7.179 3.630 1.00 0.00 C ATOM 2014 O ASP B 37 9.427 6.925 2.804 1.00 0.00 O ATOM 2015 CB ASP B 37 8.239 9.578 4.264 1.00 0.00 C ATOM 2016 CG ASP B 37 7.519 10.882 3.980 1.00 0.00 C ATOM 2017 OD1 ASP B 37 6.607 10.885 3.127 1.00 0.00 O ATOM 2018 OD2 ASP B 37 7.871 11.904 4.607 1.00 0.00 O ATOM 0 H ASP B 37 6.066 8.484 4.830 1.00 0.00 H new ATOM 0 HA ASP B 37 7.629 8.676 2.422 1.00 0.00 H new ATOM 0 HB2 ASP B 37 8.179 9.360 5.330 1.00 0.00 H new ATOM 0 HB3 ASP B 37 9.295 9.691 4.020 1.00 0.00 H new ATOM 2023 N ILE B 38 8.314 6.421 4.693 1.00 0.00 N ATOM 2024 CA ILE B 38 9.090 5.220 4.953 1.00 0.00 C ATOM 2025 C ILE B 38 9.039 4.282 3.750 1.00 0.00 C ATOM 2026 O ILE B 38 10.073 3.850 3.247 1.00 0.00 O ATOM 2027 CB ILE B 38 8.576 4.481 6.205 1.00 0.00 C ATOM 2028 CG1 ILE B 38 8.632 5.404 7.424 1.00 0.00 C ATOM 2029 CG2 ILE B 38 9.396 3.223 6.461 1.00 0.00 C ATOM 2030 CD1 ILE B 38 7.939 4.839 8.644 1.00 0.00 C ATOM 0 H ILE B 38 7.592 6.618 5.386 1.00 0.00 H new ATOM 0 HA ILE B 38 10.121 5.526 5.131 1.00 0.00 H new ATOM 0 HB ILE B 38 7.541 4.188 6.031 1.00 0.00 H new ATOM 0 HG12 ILE B 38 9.675 5.605 7.669 1.00 0.00 H new ATOM 0 HG13 ILE B 38 8.175 6.360 7.167 1.00 0.00 H new ATOM 0 HG21 ILE B 38 9.017 2.716 7.349 1.00 0.00 H new ATOM 0 HG22 ILE B 38 9.318 2.557 5.602 1.00 0.00 H new ATOM 0 HG23 ILE B 38 10.440 3.495 6.616 1.00 0.00 H new ATOM 0 HD11 ILE B 38 8.019 5.547 9.469 1.00 0.00 H new ATOM 0 HD12 ILE B 38 6.887 4.664 8.417 1.00 0.00 H new ATOM 0 HD13 ILE B 38 8.410 3.898 8.927 1.00 0.00 H new ATOM 2042 N ALA B 39 7.829 3.980 3.287 1.00 0.00 N ATOM 2043 CA ALA B 39 7.656 3.103 2.139 1.00 0.00 C ATOM 2044 C ALA B 39 8.212 3.742 0.869 1.00 0.00 C ATOM 2045 O ALA B 39 9.010 3.133 0.155 1.00 0.00 O ATOM 2046 CB ALA B 39 6.187 2.753 1.959 1.00 0.00 C ATOM 0 H ALA B 39 6.959 4.329 3.689 1.00 0.00 H new ATOM 0 HA ALA B 39 8.215 2.186 2.326 1.00 0.00 H new ATOM 0 HB1 ALA B 39 6.072 2.096 1.097 1.00 0.00 H new ATOM 0 HB2 ALA B 39 5.822 2.246 2.852 1.00 0.00 H new ATOM 0 HB3 ALA B 39 5.613 3.665 1.799 1.00 0.00 H new ATOM 2052 N ALA B 40 7.779 4.969 0.586 1.00 0.00 N ATOM 2053 CA ALA B 40 8.228 5.686 -0.603 1.00 0.00 C ATOM 2054 C ALA B 40 9.749 5.788 -0.681 1.00 0.00 C ATOM 2055 O ALA B 40 10.325 5.750 -1.769 1.00 0.00 O ATOM 2056 CB ALA B 40 7.603 7.072 -0.645 1.00 0.00 C ATOM 0 H ALA B 40 7.118 5.487 1.165 1.00 0.00 H new ATOM 0 HA ALA B 40 7.901 5.113 -1.470 1.00 0.00 H new ATOM 0 HB1 ALA B 40 7.945 7.598 -1.536 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.517 6.981 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.899 7.631 0.243 1.00 0.00 H new ATOM 2062 N HIS B 41 10.400 5.908 0.470 1.00 0.00 N ATOM 2063 CA HIS B 41 11.849 6.009 0.513 1.00 0.00 C ATOM 2064 C HIS B 41 12.470 4.694 0.100 1.00 0.00 C ATOM 2065 O HIS B 41 13.333 4.637 -0.781 1.00 0.00 O ATOM 2066 CB HIS B 41 12.318 6.361 1.924 1.00 0.00 C ATOM 2067 CG HIS B 41 13.801 6.250 2.098 1.00 0.00 C ATOM 2068 ND1 HIS B 41 14.673 7.292 1.858 1.00 0.00 N ATOM 2069 CD2 HIS B 41 14.570 5.194 2.458 1.00 0.00 C ATOM 2070 CE1 HIS B 41 15.912 6.883 2.066 1.00 0.00 C ATOM 2071 NE2 HIS B 41 15.876 5.615 2.432 1.00 0.00 N ATOM 0 H HIS B 41 9.946 5.937 1.383 1.00 0.00 H new ATOM 0 HA HIS B 41 12.159 6.795 -0.175 1.00 0.00 H new ATOM 0 HB2 HIS B 41 12.006 7.378 2.160 1.00 0.00 H new ATOM 0 HB3 HIS B 41 11.825 5.702 2.639 1.00 0.00 H new ATOM 0 HD2 HIS B 41 14.220 4.206 2.717 1.00 0.00 H new ATOM 0 HE1 HIS B 41 16.803 7.484 1.955 1.00 0.00 H new ATOM 0 HE2 HIS B 41 16.688 5.041 2.659 1.00 0.00 H new ATOM 2080 N ILE B 42 12.033 3.636 0.761 1.00 0.00 N ATOM 2081 CA ILE B 42 12.551 2.320 0.487 1.00 0.00 C ATOM 2082 C ILE B 42 12.333 1.942 -0.976 1.00 0.00 C ATOM 2083 O ILE B 42 13.228 1.416 -1.635 1.00 0.00 O ATOM 2084 CB ILE B 42 11.908 1.253 1.399 1.00 0.00 C ATOM 2085 CG1 ILE B 42 12.178 1.578 2.870 1.00 0.00 C ATOM 2086 CG2 ILE B 42 12.436 -0.134 1.056 1.00 0.00 C ATOM 2087 CD1 ILE B 42 11.540 0.600 3.832 1.00 0.00 C ATOM 0 H ILE B 42 11.320 3.669 1.490 1.00 0.00 H new ATOM 0 HA ILE B 42 13.621 2.349 0.694 1.00 0.00 H new ATOM 0 HB ILE B 42 10.831 1.261 1.232 1.00 0.00 H new ATOM 0 HG12 ILE B 42 13.255 1.591 3.039 1.00 0.00 H new ATOM 0 HG13 ILE B 42 11.809 2.581 3.086 1.00 0.00 H new ATOM 0 HG21 ILE B 42 11.971 -0.872 1.709 1.00 0.00 H new ATOM 0 HG22 ILE B 42 12.198 -0.367 0.018 1.00 0.00 H new ATOM 0 HG23 ILE B 42 13.517 -0.156 1.195 1.00 0.00 H new ATOM 0 HD11 ILE B 42 11.773 0.892 4.856 1.00 0.00 H new ATOM 0 HD12 ILE B 42 10.459 0.603 3.691 1.00 0.00 H new ATOM 0 HD13 ILE B 42 11.927 -0.401 3.643 1.00 0.00 H new ATOM 2099 N LYS B 43 11.131 2.215 -1.474 1.00 0.00 N ATOM 2100 CA LYS B 43 10.780 1.905 -2.855 1.00 0.00 C ATOM 2101 C LYS B 43 11.752 2.541 -3.845 1.00 0.00 C ATOM 2102 O LYS B 43 12.254 1.870 -4.745 1.00 0.00 O ATOM 2103 CB LYS B 43 9.350 2.368 -3.152 1.00 0.00 C ATOM 2104 CG LYS B 43 8.984 2.318 -4.627 1.00 0.00 C ATOM 2105 CD LYS B 43 7.497 2.543 -4.843 1.00 0.00 C ATOM 2106 CE LYS B 43 7.150 2.618 -6.322 1.00 0.00 C ATOM 2107 NZ LYS B 43 7.866 3.733 -7.004 1.00 0.00 N ATOM 0 H LYS B 43 10.381 2.652 -0.939 1.00 0.00 H new ATOM 0 HA LYS B 43 10.845 0.824 -2.976 1.00 0.00 H new ATOM 0 HB2 LYS B 43 8.652 1.745 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS B 43 9.226 3.389 -2.791 1.00 0.00 H new ATOM 0 HG2 LYS B 43 9.550 3.076 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS B 43 9.270 1.351 -5.041 1.00 0.00 H new ATOM 0 HD2 LYS B 43 6.935 1.733 -4.378 1.00 0.00 H new ATOM 0 HD3 LYS B 43 7.193 3.467 -4.350 1.00 0.00 H new ATOM 0 HE2 LYS B 43 7.406 1.674 -6.803 1.00 0.00 H new ATOM 0 HE3 LYS B 43 6.074 2.753 -6.436 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 7.435 3.904 -7.935 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 7.796 4.595 -6.427 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 8.867 3.479 -7.127 1.00 0.00 H new ATOM 2121 N LYS B 44 12.002 3.836 -3.690 1.00 0.00 N ATOM 2122 CA LYS B 44 12.906 4.543 -4.593 1.00 0.00 C ATOM 2123 C LYS B 44 14.295 3.913 -4.605 1.00 0.00 C ATOM 2124 O LYS B 44 14.893 3.729 -5.665 1.00 0.00 O ATOM 2125 CB LYS B 44 13.001 6.020 -4.206 1.00 0.00 C ATOM 2126 CG LYS B 44 11.699 6.782 -4.395 1.00 0.00 C ATOM 2127 CD LYS B 44 11.841 8.238 -3.979 1.00 0.00 C ATOM 2128 CE LYS B 44 10.539 9.000 -4.170 1.00 0.00 C ATOM 2129 NZ LYS B 44 10.667 10.428 -3.768 1.00 0.00 N ATOM 0 H LYS B 44 11.596 4.415 -2.955 1.00 0.00 H new ATOM 0 HA LYS B 44 12.494 4.463 -5.599 1.00 0.00 H new ATOM 0 HB2 LYS B 44 13.308 6.095 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS B 44 13.780 6.494 -4.803 1.00 0.00 H new ATOM 0 HG2 LYS B 44 11.393 6.729 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS B 44 10.911 6.310 -3.808 1.00 0.00 H new ATOM 0 HD2 LYS B 44 12.145 8.291 -2.934 1.00 0.00 H new ATOM 0 HD3 LYS B 44 12.630 8.710 -4.565 1.00 0.00 H new ATOM 0 HE2 LYS B 44 10.235 8.943 -5.215 1.00 0.00 H new ATOM 0 HE3 LYS B 44 9.752 8.527 -3.583 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 9.758 10.912 -3.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 10.932 10.484 -2.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 11.400 10.887 -4.346 1.00 0.00 H new ATOM 2143 N GLU B 45 14.808 3.598 -3.427 1.00 0.00 N ATOM 2144 CA GLU B 45 16.137 3.001 -3.311 1.00 0.00 C ATOM 2145 C GLU B 45 16.227 1.665 -4.047 1.00 0.00 C ATOM 2146 O GLU B 45 17.193 1.408 -4.763 1.00 0.00 O ATOM 2147 CB GLU B 45 16.509 2.814 -1.839 1.00 0.00 C ATOM 2148 CG GLU B 45 16.541 4.113 -1.051 1.00 0.00 C ATOM 2149 CD GLU B 45 17.543 5.107 -1.604 1.00 0.00 C ATOM 2150 OE1 GLU B 45 18.747 4.776 -1.646 1.00 0.00 O ATOM 2151 OE2 GLU B 45 17.123 6.217 -1.996 1.00 0.00 O ATOM 0 H GLU B 45 14.330 3.743 -2.538 1.00 0.00 H new ATOM 0 HA GLU B 45 16.844 3.686 -3.778 1.00 0.00 H new ATOM 0 HB2 GLU B 45 15.794 2.135 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU B 45 17.487 2.337 -1.778 1.00 0.00 H new ATOM 0 HG2 GLU B 45 15.548 4.562 -1.058 1.00 0.00 H new ATOM 0 HG3 GLU B 45 16.786 3.897 -0.011 1.00 0.00 H new ATOM 2158 N PHE B 46 15.220 0.820 -3.877 1.00 0.00 N ATOM 2159 CA PHE B 46 15.202 -0.478 -4.536 1.00 0.00 C ATOM 2160 C PHE B 46 14.924 -0.313 -6.020 1.00 0.00 C ATOM 2161 O PHE B 46 15.495 -1.013 -6.855 1.00 0.00 O ATOM 2162 CB PHE B 46 14.155 -1.384 -3.885 1.00 0.00 C ATOM 2163 CG PHE B 46 14.642 -2.031 -2.620 1.00 0.00 C ATOM 2164 CD1 PHE B 46 15.468 -3.139 -2.675 1.00 0.00 C ATOM 2165 CD2 PHE B 46 14.296 -1.518 -1.381 1.00 0.00 C ATOM 2166 CE1 PHE B 46 15.942 -3.726 -1.518 1.00 0.00 C ATOM 2167 CE2 PHE B 46 14.762 -2.104 -0.220 1.00 0.00 C ATOM 2168 CZ PHE B 46 15.588 -3.209 -0.290 1.00 0.00 C ATOM 0 H PHE B 46 14.407 1.009 -3.290 1.00 0.00 H new ATOM 0 HA PHE B 46 16.180 -0.945 -4.423 1.00 0.00 H new ATOM 0 HB2 PHE B 46 13.262 -0.799 -3.666 1.00 0.00 H new ATOM 0 HB3 PHE B 46 13.863 -2.159 -4.593 1.00 0.00 H new ATOM 0 HD1 PHE B 46 15.746 -3.550 -3.634 1.00 0.00 H new ATOM 0 HD2 PHE B 46 13.655 -0.651 -1.322 1.00 0.00 H new ATOM 0 HE1 PHE B 46 16.589 -4.589 -1.575 1.00 0.00 H new ATOM 0 HE2 PHE B 46 14.481 -1.699 0.741 1.00 0.00 H new ATOM 0 HZ PHE B 46 15.956 -3.667 0.616 1.00 0.00 H new ATOM 2178 N ASP B 47 14.042 0.622 -6.335 1.00 0.00 N ATOM 2179 CA ASP B 47 13.679 0.895 -7.709 1.00 0.00 C ATOM 2180 C ASP B 47 14.840 1.526 -8.472 1.00 0.00 C ATOM 2181 O ASP B 47 14.976 1.335 -9.679 1.00 0.00 O ATOM 2182 CB ASP B 47 12.459 1.817 -7.755 1.00 0.00 C ATOM 2183 CG ASP B 47 11.988 2.092 -9.169 1.00 0.00 C ATOM 2184 OD1 ASP B 47 12.792 2.609 -9.973 1.00 0.00 O ATOM 2185 OD2 ASP B 47 10.813 1.792 -9.472 1.00 0.00 O ATOM 0 H ASP B 47 13.563 1.206 -5.650 1.00 0.00 H new ATOM 0 HA ASP B 47 13.434 -0.052 -8.189 1.00 0.00 H new ATOM 0 HB2 ASP B 47 11.646 1.366 -7.187 1.00 0.00 H new ATOM 0 HB3 ASP B 47 12.703 2.761 -7.267 1.00 0.00 H new ATOM 2190 N LYS B 48 15.667 2.296 -7.768 1.00 0.00 N ATOM 2191 CA LYS B 48 16.797 2.969 -8.395 1.00 0.00 C ATOM 2192 C LYS B 48 18.063 2.118 -8.390 1.00 0.00 C ATOM 2193 O LYS B 48 18.832 2.139 -9.350 1.00 0.00 O ATOM 2194 CB LYS B 48 17.063 4.304 -7.696 1.00 0.00 C ATOM 2195 CG LYS B 48 15.931 5.307 -7.850 1.00 0.00 C ATOM 2196 CD LYS B 48 16.162 6.547 -7.002 1.00 0.00 C ATOM 2197 CE LYS B 48 17.462 7.241 -7.366 1.00 0.00 C ATOM 2198 NZ LYS B 48 17.481 7.674 -8.792 1.00 0.00 N ATOM 0 H LYS B 48 15.575 2.468 -6.767 1.00 0.00 H new ATOM 0 HA LYS B 48 16.530 3.142 -9.438 1.00 0.00 H new ATOM 0 HB2 LYS B 48 17.234 4.122 -6.635 1.00 0.00 H new ATOM 0 HB3 LYS B 48 17.979 4.738 -8.096 1.00 0.00 H new ATOM 0 HG2 LYS B 48 15.839 5.594 -8.897 1.00 0.00 H new ATOM 0 HG3 LYS B 48 14.989 4.840 -7.563 1.00 0.00 H new ATOM 0 HD2 LYS B 48 15.330 7.239 -7.135 1.00 0.00 H new ATOM 0 HD3 LYS B 48 16.180 6.269 -5.948 1.00 0.00 H new ATOM 0 HE2 LYS B 48 17.603 8.109 -6.721 1.00 0.00 H new ATOM 0 HE3 LYS B 48 18.298 6.567 -7.180 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 18.304 8.288 -8.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 17.543 6.838 -9.408 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 16.609 8.199 -9.007 1.00 0.00 H new ATOM 2212 N LYS B 49 18.289 1.388 -7.306 1.00 0.00 N ATOM 2213 CA LYS B 49 19.479 0.560 -7.196 1.00 0.00 C ATOM 2214 C LYS B 49 19.270 -0.828 -7.784 1.00 0.00 C ATOM 2215 O LYS B 49 20.105 -1.320 -8.543 1.00 0.00 O ATOM 2216 CB LYS B 49 19.925 0.452 -5.736 1.00 0.00 C ATOM 2217 CG LYS B 49 20.624 1.699 -5.212 1.00 0.00 C ATOM 2218 CD LYS B 49 19.750 2.937 -5.339 1.00 0.00 C ATOM 2219 CE LYS B 49 20.459 4.175 -4.816 1.00 0.00 C ATOM 2220 NZ LYS B 49 21.718 4.451 -5.562 1.00 0.00 N ATOM 0 H LYS B 49 17.669 1.353 -6.497 1.00 0.00 H new ATOM 0 HA LYS B 49 20.263 1.047 -7.776 1.00 0.00 H new ATOM 0 HB2 LYS B 49 19.054 0.247 -5.114 1.00 0.00 H new ATOM 0 HB3 LYS B 49 20.597 -0.400 -5.633 1.00 0.00 H new ATOM 0 HG2 LYS B 49 20.894 1.551 -4.166 1.00 0.00 H new ATOM 0 HG3 LYS B 49 21.552 1.853 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS B 49 19.478 3.086 -6.384 1.00 0.00 H new ATOM 0 HD3 LYS B 49 18.822 2.787 -4.787 1.00 0.00 H new ATOM 0 HE2 LYS B 49 19.794 5.035 -4.896 1.00 0.00 H new ATOM 0 HE3 LYS B 49 20.685 4.044 -3.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 22.055 5.408 -5.332 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 22.442 3.755 -5.291 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 21.538 4.384 -6.584 1.00 0.00 H new ATOM 2234 N TYR B 50 18.166 -1.463 -7.423 1.00 0.00 N ATOM 2235 CA TYR B 50 17.877 -2.802 -7.913 1.00 0.00 C ATOM 2236 C TYR B 50 17.076 -2.785 -9.213 1.00 0.00 C ATOM 2237 O TYR B 50 16.688 -3.839 -9.716 1.00 0.00 O ATOM 2238 CB TYR B 50 17.157 -3.609 -6.836 1.00 0.00 C ATOM 2239 CG TYR B 50 18.064 -4.002 -5.692 1.00 0.00 C ATOM 2240 CD1 TYR B 50 19.017 -5.002 -5.850 1.00 0.00 C ATOM 2241 CD2 TYR B 50 17.981 -3.366 -4.461 1.00 0.00 C ATOM 2242 CE1 TYR B 50 19.855 -5.358 -4.812 1.00 0.00 C ATOM 2243 CE2 TYR B 50 18.816 -3.717 -3.418 1.00 0.00 C ATOM 2244 CZ TYR B 50 19.752 -4.714 -3.598 1.00 0.00 C ATOM 2245 OH TYR B 50 20.586 -5.066 -2.563 1.00 0.00 O ATOM 0 H TYR B 50 17.460 -1.076 -6.797 1.00 0.00 H new ATOM 0 HA TYR B 50 18.828 -3.282 -8.141 1.00 0.00 H new ATOM 0 HB2 TYR B 50 16.323 -3.025 -6.448 1.00 0.00 H new ATOM 0 HB3 TYR B 50 16.735 -4.508 -7.284 1.00 0.00 H new ATOM 0 HD1 TYR B 50 19.103 -5.508 -6.800 1.00 0.00 H new ATOM 0 HD2 TYR B 50 17.251 -2.583 -4.316 1.00 0.00 H new ATOM 0 HE1 TYR B 50 20.589 -6.138 -4.951 1.00 0.00 H new ATOM 0 HE2 TYR B 50 18.736 -3.213 -2.466 1.00 0.00 H new ATOM 0 HH TYR B 50 20.384 -4.515 -1.778 1.00 0.00 H new ATOM 2255 N ASN B 51 16.828 -1.590 -9.751 1.00 0.00 N ATOM 2256 CA ASN B 51 16.077 -1.434 -10.990 1.00 0.00 C ATOM 2257 C ASN B 51 14.594 -1.580 -10.712 1.00 0.00 C ATOM 2258 O ASN B 51 14.185 -2.422 -9.912 1.00 0.00 O ATOM 2259 CB ASN B 51 16.521 -2.452 -12.052 1.00 0.00 C ATOM 2260 CG ASN B 51 18.000 -2.359 -12.407 1.00 0.00 C ATOM 2261 OD1 ASN B 51 18.694 -1.342 -11.895 1.00 0.00 O flip ATOM 2262 ND2 ASN B 51 18.516 -3.191 -13.152 1.00 0.00 N flip ATOM 0 H ASN B 51 17.141 -0.710 -9.341 1.00 0.00 H new ATOM 0 HA ASN B 51 16.277 -0.438 -11.384 1.00 0.00 H new ATOM 0 HB2 ASN B 51 16.305 -3.458 -11.691 1.00 0.00 H new ATOM 0 HB3 ASN B 51 15.929 -2.303 -12.955 1.00 0.00 H new ATOM 0 HD21 ASN B 51 17.956 -3.957 -13.526 1.00 0.00 H new ATOM 0 HD22 ASN B 51 19.504 -3.115 -13.395 1.00 0.00 H new ATOM 2269 N PRO B 52 13.762 -0.754 -11.353 1.00 0.00 N ATOM 2270 CA PRO B 52 12.323 -0.803 -11.143 1.00 0.00 C ATOM 2271 C PRO B 52 11.732 -2.157 -11.542 1.00 0.00 C ATOM 2272 O PRO B 52 12.369 -2.917 -12.271 1.00 0.00 O ATOM 2273 CB PRO B 52 11.777 0.314 -12.042 1.00 0.00 C ATOM 2274 CG PRO B 52 12.859 0.578 -13.032 1.00 0.00 C ATOM 2275 CD PRO B 52 14.148 0.289 -12.319 1.00 0.00 C ATOM 0 HA PRO B 52 12.061 -0.673 -10.093 1.00 0.00 H new ATOM 0 HB2 PRO B 52 10.856 0.007 -12.537 1.00 0.00 H new ATOM 0 HB3 PRO B 52 11.545 1.208 -11.463 1.00 0.00 H new ATOM 0 HG2 PRO B 52 12.748 -0.057 -13.911 1.00 0.00 H new ATOM 0 HG3 PRO B 52 12.828 1.611 -13.379 1.00 0.00 H new ATOM 0 HD2 PRO B 52 14.920 -0.061 -13.005 1.00 0.00 H new ATOM 0 HD3 PRO B 52 14.542 1.175 -11.821 1.00 0.00 H new ATOM 2283 N THR B 53 10.523 -2.472 -11.062 1.00 0.00 N ATOM 2284 CA THR B 53 9.753 -1.584 -10.196 1.00 0.00 C ATOM 2285 C THR B 53 9.441 -2.258 -8.869 1.00 0.00 C ATOM 2286 O THR B 53 9.030 -3.417 -8.832 1.00 0.00 O ATOM 2287 CB THR B 53 8.450 -1.175 -10.887 1.00 0.00 C ATOM 2288 OG1 THR B 53 8.716 -0.542 -12.124 1.00 0.00 O ATOM 2289 CG2 THR B 53 7.604 -0.230 -10.059 1.00 0.00 C ATOM 0 H THR B 53 10.053 -3.354 -11.267 1.00 0.00 H new ATOM 0 HA THR B 53 10.353 -0.695 -10.001 1.00 0.00 H new ATOM 0 HB THR B 53 7.895 -2.102 -11.030 1.00 0.00 H new ATOM 0 HG1 THR B 53 7.871 -0.290 -12.551 1.00 0.00 H new ATOM 0 HG21 THR B 53 6.696 0.020 -10.607 1.00 0.00 H new ATOM 0 HG22 THR B 53 7.339 -0.710 -9.117 1.00 0.00 H new ATOM 0 HG23 THR B 53 8.168 0.681 -9.857 1.00 0.00 H new ATOM 2297 N TRP B 54 9.644 -1.528 -7.778 1.00 0.00 N ATOM 2298 CA TRP B 54 9.389 -2.061 -6.448 1.00 0.00 C ATOM 2299 C TRP B 54 8.216 -1.369 -5.773 1.00 0.00 C ATOM 2300 O TRP B 54 8.109 -0.147 -5.785 1.00 0.00 O ATOM 2301 CB TRP B 54 10.619 -1.907 -5.558 1.00 0.00 C ATOM 2302 CG TRP B 54 11.817 -2.638 -6.063 1.00 0.00 C ATOM 2303 CD1 TRP B 54 12.564 -2.333 -7.162 1.00 0.00 C ATOM 2304 CD2 TRP B 54 12.401 -3.809 -5.489 1.00 0.00 C ATOM 2305 NE1 TRP B 54 13.586 -3.232 -7.300 1.00 0.00 N ATOM 2306 CE2 TRP B 54 13.509 -4.154 -6.284 1.00 0.00 C ATOM 2307 CE3 TRP B 54 12.097 -4.598 -4.374 1.00 0.00 C ATOM 2308 CZ2 TRP B 54 14.313 -5.253 -5.998 1.00 0.00 C ATOM 2309 CZ3 TRP B 54 12.895 -5.691 -4.095 1.00 0.00 C ATOM 2310 CH2 TRP B 54 13.989 -6.008 -4.901 1.00 0.00 C ATOM 0 H TRP B 54 9.984 -0.566 -7.790 1.00 0.00 H new ATOM 0 HA TRP B 54 9.149 -3.116 -6.578 1.00 0.00 H new ATOM 0 HB2 TRP B 54 10.861 -0.848 -5.468 1.00 0.00 H new ATOM 0 HB3 TRP B 54 10.380 -2.266 -4.557 1.00 0.00 H new ATOM 0 HD1 TRP B 54 12.376 -1.503 -7.827 1.00 0.00 H new ATOM 0 HE1 TRP B 54 14.291 -3.220 -8.037 1.00 0.00 H new ATOM 0 HE3 TRP B 54 11.254 -4.357 -3.743 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 15.162 -5.502 -6.618 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 12.668 -6.310 -3.239 1.00 0.00 H new ATOM 0 HH2 TRP B 54 14.594 -6.868 -4.655 1.00 0.00 H new ATOM 2321 N HIS B 55 7.365 -2.163 -5.143 1.00 0.00 N ATOM 2322 CA HIS B 55 6.232 -1.633 -4.408 1.00 0.00 C ATOM 2323 C HIS B 55 6.548 -1.743 -2.926 1.00 0.00 C ATOM 2324 O HIS B 55 7.020 -2.789 -2.474 1.00 0.00 O ATOM 2325 CB HIS B 55 4.946 -2.391 -4.747 1.00 0.00 C ATOM 2326 CG HIS B 55 4.612 -2.384 -6.207 1.00 0.00 C ATOM 2327 ND1 HIS B 55 5.388 -2.154 -7.295 1.00 0.00 N flip ATOM 2328 CD2 HIS B 55 3.349 -2.651 -6.691 1.00 0.00 C flip ATOM 2329 CE1 HIS B 55 4.584 -2.280 -8.401 1.00 0.00 C flip ATOM 2330 NE2 HIS B 55 3.360 -2.580 -8.011 1.00 0.00 N flip ATOM 0 H HIS B 55 7.440 -3.180 -5.127 1.00 0.00 H new ATOM 0 HA HIS B 55 6.066 -0.592 -4.684 1.00 0.00 H new ATOM 0 HB2 HIS B 55 5.043 -3.423 -4.410 1.00 0.00 H new ATOM 0 HB3 HIS B 55 4.118 -1.951 -4.191 1.00 0.00 H new ATOM 0 HD2 HIS B 55 2.485 -2.882 -6.086 1.00 0.00 H new ATOM 0 HE1 HIS B 55 4.902 -2.154 -9.425 1.00 0.00 H new ATOM 0 HE2 HIS B 55 2.559 -2.731 -8.624 1.00 0.00 H new ATOM 2339 N CYS B 56 6.336 -0.676 -2.167 1.00 0.00 N ATOM 2340 CA CYS B 56 6.661 -0.717 -0.749 1.00 0.00 C ATOM 2341 C CYS B 56 5.507 -0.244 0.115 1.00 0.00 C ATOM 2342 O CYS B 56 4.750 0.650 -0.262 1.00 0.00 O ATOM 2343 CB CYS B 56 7.905 0.123 -0.466 1.00 0.00 C ATOM 2344 SG CYS B 56 8.565 -0.096 1.203 1.00 0.00 S ATOM 0 H CYS B 56 5.950 0.208 -2.499 1.00 0.00 H new ATOM 0 HA CYS B 56 6.859 -1.758 -0.492 1.00 0.00 H new ATOM 0 HB2 CYS B 56 8.679 -0.134 -1.190 1.00 0.00 H new ATOM 0 HB3 CYS B 56 7.664 1.175 -0.617 1.00 0.00 H new ATOM 0 HG CYS B 56 8.232 -1.270 1.651 1.00 0.00 H new ATOM 2350 N ILE B 57 5.392 -0.859 1.282 1.00 0.00 N ATOM 2351 CA ILE B 57 4.347 -0.524 2.229 1.00 0.00 C ATOM 2352 C ILE B 57 4.894 -0.579 3.646 1.00 0.00 C ATOM 2353 O ILE B 57 5.838 -1.316 3.930 1.00 0.00 O ATOM 2354 CB ILE B 57 3.160 -1.503 2.138 1.00 0.00 C ATOM 2355 CG1 ILE B 57 2.780 -1.756 0.677 1.00 0.00 C ATOM 2356 CG2 ILE B 57 1.966 -0.977 2.925 1.00 0.00 C ATOM 2357 CD1 ILE B 57 1.584 -2.666 0.511 1.00 0.00 C ATOM 0 H ILE B 57 6.018 -1.600 1.596 1.00 0.00 H new ATOM 0 HA ILE B 57 4.001 0.480 1.984 1.00 0.00 H new ATOM 0 HB ILE B 57 3.465 -2.452 2.579 1.00 0.00 H new ATOM 0 HG12 ILE B 57 2.569 -0.801 0.195 1.00 0.00 H new ATOM 0 HG13 ILE B 57 3.633 -2.193 0.159 1.00 0.00 H new ATOM 0 HG21 ILE B 57 1.139 -1.683 2.847 1.00 0.00 H new ATOM 0 HG22 ILE B 57 2.244 -0.858 3.972 1.00 0.00 H new ATOM 0 HG23 ILE B 57 1.659 -0.013 2.519 1.00 0.00 H new ATOM 0 HD11 ILE B 57 1.373 -2.800 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE B 57 1.798 -3.634 0.963 1.00 0.00 H new ATOM 0 HD13 ILE B 57 0.717 -2.221 1.000 1.00 0.00 H new ATOM 2369 N VAL B 58 4.294 0.193 4.531 1.00 0.00 N ATOM 2370 CA VAL B 58 4.711 0.224 5.921 1.00 0.00 C ATOM 2371 C VAL B 58 3.527 0.588 6.797 1.00 0.00 C ATOM 2372 O VAL B 58 2.760 1.481 6.458 1.00 0.00 O ATOM 2373 CB VAL B 58 5.851 1.236 6.145 1.00 0.00 C ATOM 2374 CG1 VAL B 58 6.354 1.171 7.579 1.00 0.00 C ATOM 2375 CG2 VAL B 58 6.984 0.984 5.161 1.00 0.00 C ATOM 0 H VAL B 58 3.512 0.810 4.311 1.00 0.00 H new ATOM 0 HA VAL B 58 5.082 -0.766 6.187 1.00 0.00 H new ATOM 0 HB VAL B 58 5.462 2.239 5.970 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.159 1.894 7.715 1.00 0.00 H new ATOM 0 HG12 VAL B 58 5.537 1.404 8.262 1.00 0.00 H new ATOM 0 HG13 VAL B 58 6.727 0.169 7.789 1.00 0.00 H new ATOM 0 HG21 VAL B 58 7.782 1.707 5.332 1.00 0.00 H new ATOM 0 HG22 VAL B 58 7.372 -0.025 5.303 1.00 0.00 H new ATOM 0 HG23 VAL B 58 6.611 1.089 4.142 1.00 0.00 H new ATOM 2385 N GLY B 59 3.355 -0.116 7.908 1.00 0.00 N ATOM 2386 CA GLY B 59 2.222 0.171 8.769 1.00 0.00 C ATOM 2387 C GLY B 59 2.246 -0.574 10.082 1.00 0.00 C ATOM 2388 O GLY B 59 2.843 -1.645 10.195 1.00 0.00 O ATOM 0 H GLY B 59 3.967 -0.868 8.226 1.00 0.00 H new ATOM 0 HA2 GLY B 59 2.194 1.242 8.971 1.00 0.00 H new ATOM 0 HA3 GLY B 59 1.303 -0.078 8.238 1.00 0.00 H new ATOM 2392 N ARG B 60 1.575 -0.001 11.075 1.00 0.00 N ATOM 2393 CA ARG B 60 1.493 -0.606 12.395 1.00 0.00 C ATOM 2394 C ARG B 60 0.650 -1.875 12.332 1.00 0.00 C ATOM 2395 O ARG B 60 0.896 -2.839 13.059 1.00 0.00 O ATOM 2396 CB ARG B 60 0.895 0.387 13.397 1.00 0.00 C ATOM 2397 CG ARG B 60 1.665 1.697 13.494 1.00 0.00 C ATOM 2398 CD ARG B 60 1.027 2.641 14.501 1.00 0.00 C ATOM 2399 NE ARG B 60 0.980 2.064 15.844 1.00 0.00 N ATOM 2400 CZ ARG B 60 2.060 1.801 16.579 1.00 0.00 C ATOM 2401 NH1 ARG B 60 3.270 2.106 16.128 1.00 0.00 N ATOM 2402 NH2 ARG B 60 1.925 1.247 17.775 1.00 0.00 N ATOM 0 H ARG B 60 1.079 0.886 10.988 1.00 0.00 H new ATOM 0 HA ARG B 60 2.497 -0.868 12.729 1.00 0.00 H new ATOM 0 HB2 ARG B 60 -0.135 0.601 13.112 1.00 0.00 H new ATOM 0 HB3 ARG B 60 0.863 -0.079 14.382 1.00 0.00 H new ATOM 0 HG2 ARG B 60 2.696 1.494 13.785 1.00 0.00 H new ATOM 0 HG3 ARG B 60 1.698 2.175 12.515 1.00 0.00 H new ATOM 0 HD2 ARG B 60 1.588 3.575 14.528 1.00 0.00 H new ATOM 0 HD3 ARG B 60 0.016 2.886 14.177 1.00 0.00 H new ATOM 0 HE ARG B 60 0.066 1.850 16.242 1.00 0.00 H new ATOM 0 HH11 ARG B 60 3.378 2.545 15.213 1.00 0.00 H new ATOM 0 HH12 ARG B 60 4.092 1.902 16.696 1.00 0.00 H new ATOM 0 HH21 ARG B 60 0.996 1.023 18.131 1.00 0.00 H new ATOM 0 HH22 ARG B 60 2.750 1.045 18.339 1.00 0.00 H new ATOM 2416 N ASN B 61 -0.341 -1.865 11.445 1.00 0.00 N ATOM 2417 CA ASN B 61 -1.227 -3.007 11.256 1.00 0.00 C ATOM 2418 C ASN B 61 -2.039 -2.836 9.974 1.00 0.00 C ATOM 2419 O ASN B 61 -2.610 -1.774 9.734 1.00 0.00 O ATOM 2420 CB ASN B 61 -2.164 -3.163 12.457 1.00 0.00 C ATOM 2421 CG ASN B 61 -3.094 -4.353 12.317 1.00 0.00 C ATOM 2422 OD1 ASN B 61 -4.395 -4.089 12.319 1.00 0.00 O flip ATOM 2423 ND2 ASN B 61 -2.649 -5.495 12.208 1.00 0.00 N flip ATOM 0 H ASN B 61 -0.551 -1.070 10.841 1.00 0.00 H new ATOM 0 HA ASN B 61 -0.619 -3.908 11.171 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -1.571 -3.274 13.365 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -2.756 -2.255 12.572 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -1.641 -5.652 12.211 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -3.288 -6.285 12.114 1.00 0.00 H new ATOM 2430 N PHE B 62 -2.081 -3.882 9.146 1.00 0.00 N ATOM 2431 CA PHE B 62 -2.816 -3.824 7.883 1.00 0.00 C ATOM 2432 C PHE B 62 -2.690 -5.123 7.083 1.00 0.00 C ATOM 2433 O PHE B 62 -1.635 -5.758 7.062 1.00 0.00 O ATOM 2434 CB PHE B 62 -2.297 -2.660 7.028 1.00 0.00 C ATOM 2435 CG PHE B 62 -0.902 -2.873 6.507 1.00 0.00 C ATOM 2436 CD1 PHE B 62 -0.660 -3.775 5.482 1.00 0.00 C ATOM 2437 CD2 PHE B 62 0.170 -2.186 7.051 1.00 0.00 C ATOM 2438 CE1 PHE B 62 0.620 -3.984 5.008 1.00 0.00 C ATOM 2439 CE2 PHE B 62 1.452 -2.390 6.581 1.00 0.00 C ATOM 2440 CZ PHE B 62 1.678 -3.290 5.559 1.00 0.00 C ATOM 0 H PHE B 62 -1.618 -4.773 9.326 1.00 0.00 H new ATOM 0 HA PHE B 62 -3.867 -3.676 8.129 1.00 0.00 H new ATOM 0 HB2 PHE B 62 -2.972 -2.510 6.185 1.00 0.00 H new ATOM 0 HB3 PHE B 62 -2.319 -1.746 7.621 1.00 0.00 H new ATOM 0 HD1 PHE B 62 -1.484 -4.322 5.048 1.00 0.00 H new ATOM 0 HD2 PHE B 62 0.001 -1.482 7.853 1.00 0.00 H new ATOM 0 HE1 PHE B 62 0.793 -4.689 4.208 1.00 0.00 H new ATOM 0 HE2 PHE B 62 2.278 -1.845 7.013 1.00 0.00 H new ATOM 0 HZ PHE B 62 2.681 -3.451 5.191 1.00 0.00 H new ATOM 2450 N GLY B 63 -3.769 -5.479 6.394 1.00 0.00 N ATOM 2451 CA GLY B 63 -3.784 -6.661 5.551 1.00 0.00 C ATOM 2452 C GLY B 63 -3.808 -6.261 4.086 1.00 0.00 C ATOM 2453 O GLY B 63 -4.308 -5.187 3.754 1.00 0.00 O ATOM 0 H GLY B 63 -4.647 -4.960 6.406 1.00 0.00 H new ATOM 0 HA2 GLY B 63 -2.905 -7.272 5.754 1.00 0.00 H new ATOM 0 HA3 GLY B 63 -4.657 -7.271 5.783 1.00 0.00 H new ATOM 2457 N SER B 64 -3.257 -7.089 3.201 1.00 0.00 N ATOM 2458 CA SER B 64 -3.231 -6.736 1.782 1.00 0.00 C ATOM 2459 C SER B 64 -2.886 -7.911 0.878 1.00 0.00 C ATOM 2460 O SER B 64 -2.088 -8.782 1.232 1.00 0.00 O ATOM 2461 CB SER B 64 -2.219 -5.616 1.547 1.00 0.00 C ATOM 2462 OG SER B 64 -0.928 -5.993 1.992 1.00 0.00 O ATOM 0 H SER B 64 -2.832 -7.987 3.432 1.00 0.00 H new ATOM 0 HA SER B 64 -4.239 -6.412 1.524 1.00 0.00 H new ATOM 0 HB2 SER B 64 -2.184 -5.370 0.486 1.00 0.00 H new ATOM 0 HB3 SER B 64 -2.540 -4.716 2.072 1.00 0.00 H new ATOM 0 HG SER B 64 -0.519 -6.596 1.336 1.00 0.00 H new ATOM 2468 N TYR B 65 -3.470 -7.890 -0.317 1.00 0.00 N ATOM 2469 CA TYR B 65 -3.221 -8.904 -1.329 1.00 0.00 C ATOM 2470 C TYR B 65 -2.417 -8.263 -2.452 1.00 0.00 C ATOM 2471 O TYR B 65 -2.763 -7.172 -2.914 1.00 0.00 O ATOM 2472 CB TYR B 65 -4.538 -9.468 -1.862 1.00 0.00 C ATOM 2473 CG TYR B 65 -4.359 -10.621 -2.825 1.00 0.00 C ATOM 2474 CD1 TYR B 65 -3.758 -10.437 -4.064 1.00 0.00 C ATOM 2475 CD2 TYR B 65 -4.789 -11.898 -2.489 1.00 0.00 C ATOM 2476 CE1 TYR B 65 -3.593 -11.492 -4.939 1.00 0.00 C ATOM 2477 CE2 TYR B 65 -4.627 -12.958 -3.360 1.00 0.00 C ATOM 2478 CZ TYR B 65 -4.029 -12.750 -4.583 1.00 0.00 C ATOM 2479 OH TYR B 65 -3.866 -13.804 -5.452 1.00 0.00 O ATOM 0 H TYR B 65 -4.129 -7.168 -0.608 1.00 0.00 H new ATOM 0 HA TYR B 65 -2.662 -9.734 -0.897 1.00 0.00 H new ATOM 0 HB2 TYR B 65 -5.148 -9.799 -1.022 1.00 0.00 H new ATOM 0 HB3 TYR B 65 -5.089 -8.671 -2.361 1.00 0.00 H new ATOM 0 HD1 TYR B 65 -3.414 -9.453 -4.347 1.00 0.00 H new ATOM 0 HD2 TYR B 65 -5.258 -12.065 -1.531 1.00 0.00 H new ATOM 0 HE1 TYR B 65 -3.124 -11.332 -5.899 1.00 0.00 H new ATOM 0 HE2 TYR B 65 -4.968 -13.945 -3.083 1.00 0.00 H new ATOM 0 HH TYR B 65 -4.226 -14.620 -5.047 1.00 0.00 H new ATOM 2489 N VAL B 66 -1.332 -8.903 -2.873 1.00 0.00 N ATOM 2490 CA VAL B 66 -0.495 -8.324 -3.916 1.00 0.00 C ATOM 2491 C VAL B 66 0.303 -9.365 -4.691 1.00 0.00 C ATOM 2492 O VAL B 66 0.698 -10.399 -4.153 1.00 0.00 O ATOM 2493 CB VAL B 66 0.503 -7.322 -3.315 1.00 0.00 C ATOM 2494 CG1 VAL B 66 -0.228 -6.152 -2.684 1.00 0.00 C ATOM 2495 CG2 VAL B 66 1.401 -8.018 -2.297 1.00 0.00 C ATOM 0 H VAL B 66 -1.016 -9.805 -2.517 1.00 0.00 H new ATOM 0 HA VAL B 66 -1.183 -7.832 -4.603 1.00 0.00 H new ATOM 0 HB VAL B 66 1.131 -6.932 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL B 66 0.496 -5.454 -2.264 1.00 0.00 H new ATOM 0 HG12 VAL B 66 -0.824 -5.644 -3.442 1.00 0.00 H new ATOM 0 HG13 VAL B 66 -0.882 -6.516 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL B 66 2.103 -7.297 -1.879 1.00 0.00 H new ATOM 0 HG22 VAL B 66 0.789 -8.435 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL B 66 1.953 -8.820 -2.787 1.00 0.00 H new ATOM 2505 N THR B 67 0.563 -9.051 -5.957 1.00 0.00 N ATOM 2506 CA THR B 67 1.346 -9.918 -6.824 1.00 0.00 C ATOM 2507 C THR B 67 2.639 -9.217 -7.218 1.00 0.00 C ATOM 2508 O THR B 67 2.645 -8.021 -7.504 1.00 0.00 O ATOM 2509 CB THR B 67 0.545 -10.304 -8.070 1.00 0.00 C ATOM 2510 OG1 THR B 67 -0.649 -10.975 -7.711 1.00 0.00 O ATOM 2511 CG2 THR B 67 1.309 -11.201 -9.019 1.00 0.00 C ATOM 0 H THR B 67 0.238 -8.194 -6.406 1.00 0.00 H new ATOM 0 HA THR B 67 1.587 -10.832 -6.282 1.00 0.00 H new ATOM 0 HB THR B 67 0.331 -9.364 -8.578 1.00 0.00 H new ATOM 0 HG1 THR B 67 -1.147 -11.212 -8.521 1.00 0.00 H new ATOM 0 HG21 THR B 67 0.684 -11.436 -9.880 1.00 0.00 H new ATOM 0 HG22 THR B 67 2.212 -10.691 -9.355 1.00 0.00 H new ATOM 0 HG23 THR B 67 1.583 -12.123 -8.507 1.00 0.00 H new ATOM 2519 N HIS B 68 3.731 -9.963 -7.199 1.00 0.00 N ATOM 2520 CA HIS B 68 5.047 -9.415 -7.522 1.00 0.00 C ATOM 2521 C HIS B 68 5.755 -10.266 -8.571 1.00 0.00 C ATOM 2522 O HIS B 68 5.162 -11.166 -9.163 1.00 0.00 O ATOM 2523 CB HIS B 68 5.882 -9.382 -6.242 1.00 0.00 C ATOM 2524 CG HIS B 68 6.165 -10.749 -5.706 1.00 0.00 C ATOM 2525 ND1 HIS B 68 7.242 -11.507 -6.116 1.00 0.00 N ATOM 2526 CD2 HIS B 68 5.479 -11.513 -4.823 1.00 0.00 C ATOM 2527 CE1 HIS B 68 7.208 -12.679 -5.508 1.00 0.00 C ATOM 2528 NE2 HIS B 68 6.150 -12.709 -4.718 1.00 0.00 N ATOM 0 H HIS B 68 3.736 -10.955 -6.963 1.00 0.00 H new ATOM 0 HA HIS B 68 4.926 -8.412 -7.930 1.00 0.00 H new ATOM 0 HB2 HIS B 68 6.824 -8.871 -6.440 1.00 0.00 H new ATOM 0 HB3 HIS B 68 5.357 -8.800 -5.485 1.00 0.00 H new ATOM 0 HD2 HIS B 68 4.576 -11.236 -4.300 1.00 0.00 H new ATOM 0 HE1 HIS B 68 7.924 -13.477 -5.635 1.00 0.00 H new ATOM 0 HE2 HIS B 68 5.875 -13.493 -4.126 1.00 0.00 H new ATOM 2537 N GLU B 69 7.036 -9.977 -8.781 1.00 0.00 N ATOM 2538 CA GLU B 69 7.840 -10.718 -9.741 1.00 0.00 C ATOM 2539 C GLU B 69 8.348 -12.021 -9.112 1.00 0.00 C ATOM 2540 O GLU B 69 7.557 -12.816 -8.607 1.00 0.00 O ATOM 2541 CB GLU B 69 9.003 -9.850 -10.236 1.00 0.00 C ATOM 2542 CG GLU B 69 8.559 -8.550 -10.883 1.00 0.00 C ATOM 2543 CD GLU B 69 9.726 -7.744 -11.418 1.00 0.00 C ATOM 2544 OE1 GLU B 69 10.629 -7.409 -10.624 1.00 0.00 O ATOM 2545 OE2 GLU B 69 9.735 -7.445 -12.632 1.00 0.00 O ATOM 0 H GLU B 69 7.538 -9.233 -8.297 1.00 0.00 H new ATOM 0 HA GLU B 69 7.222 -10.978 -10.601 1.00 0.00 H new ATOM 0 HB2 GLU B 69 9.659 -9.622 -9.396 1.00 0.00 H new ATOM 0 HB3 GLU B 69 9.592 -10.421 -10.954 1.00 0.00 H new ATOM 0 HG2 GLU B 69 7.869 -8.770 -11.697 1.00 0.00 H new ATOM 0 HG3 GLU B 69 8.012 -7.952 -10.154 1.00 0.00 H new ATOM 2552 N THR B 70 9.661 -12.239 -9.144 1.00 0.00 N ATOM 2553 CA THR B 70 10.247 -13.443 -8.574 1.00 0.00 C ATOM 2554 C THR B 70 11.623 -13.141 -7.995 1.00 0.00 C ATOM 2555 O THR B 70 12.392 -12.372 -8.571 1.00 0.00 O ATOM 2556 CB THR B 70 10.367 -14.535 -9.633 1.00 0.00 C ATOM 2557 OG1 THR B 70 9.097 -14.855 -10.174 1.00 0.00 O ATOM 2558 CG2 THR B 70 10.977 -15.816 -9.107 1.00 0.00 C ATOM 0 H THR B 70 10.336 -11.596 -9.559 1.00 0.00 H new ATOM 0 HA THR B 70 9.592 -13.793 -7.776 1.00 0.00 H new ATOM 0 HB THR B 70 11.028 -14.123 -10.396 1.00 0.00 H new ATOM 0 HG1 THR B 70 8.400 -14.380 -9.675 1.00 0.00 H new ATOM 0 HG21 THR B 70 11.033 -16.549 -9.911 1.00 0.00 H new ATOM 0 HG22 THR B 70 11.980 -15.614 -8.730 1.00 0.00 H new ATOM 0 HG23 THR B 70 10.359 -16.209 -8.300 1.00 0.00 H new ATOM 2566 N LYS B 71 11.926 -13.740 -6.851 1.00 0.00 N ATOM 2567 CA LYS B 71 13.207 -13.522 -6.191 1.00 0.00 C ATOM 2568 C LYS B 71 13.377 -12.052 -5.812 1.00 0.00 C ATOM 2569 O LYS B 71 14.490 -11.591 -5.556 1.00 0.00 O ATOM 2570 CB LYS B 71 14.357 -13.968 -7.094 1.00 0.00 C ATOM 2571 CG LYS B 71 14.300 -15.440 -7.468 1.00 0.00 C ATOM 2572 CD LYS B 71 15.494 -15.850 -8.314 1.00 0.00 C ATOM 2573 CE LYS B 71 16.803 -15.652 -7.566 1.00 0.00 C ATOM 2574 NZ LYS B 71 17.976 -16.081 -8.377 1.00 0.00 N ATOM 0 H LYS B 71 11.302 -14.381 -6.360 1.00 0.00 H new ATOM 0 HA LYS B 71 13.225 -14.119 -5.279 1.00 0.00 H new ATOM 0 HB2 LYS B 71 14.346 -13.369 -8.005 1.00 0.00 H new ATOM 0 HB3 LYS B 71 15.303 -13.766 -6.591 1.00 0.00 H new ATOM 0 HG2 LYS B 71 14.271 -16.045 -6.562 1.00 0.00 H new ATOM 0 HG3 LYS B 71 13.379 -15.641 -8.016 1.00 0.00 H new ATOM 0 HD2 LYS B 71 15.394 -16.896 -8.603 1.00 0.00 H new ATOM 0 HD3 LYS B 71 15.507 -15.265 -9.234 1.00 0.00 H new ATOM 0 HE2 LYS B 71 16.912 -14.601 -7.297 1.00 0.00 H new ATOM 0 HE3 LYS B 71 16.779 -16.218 -6.635 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 18.849 -15.930 -7.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 17.885 -17.090 -8.612 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 18.015 -15.523 -9.254 1.00 0.00 H new ATOM 2588 N HIS B 72 12.262 -11.329 -5.764 1.00 0.00 N ATOM 2589 CA HIS B 72 12.269 -9.917 -5.401 1.00 0.00 C ATOM 2590 C HIS B 72 11.047 -9.597 -4.550 1.00 0.00 C ATOM 2591 O HIS B 72 10.162 -8.846 -4.959 1.00 0.00 O ATOM 2592 CB HIS B 72 12.297 -9.034 -6.651 1.00 0.00 C ATOM 2593 CG HIS B 72 13.551 -9.177 -7.456 1.00 0.00 C ATOM 2594 ND1 HIS B 72 13.898 -10.338 -8.114 1.00 0.00 N ATOM 2595 CD2 HIS B 72 14.551 -8.296 -7.701 1.00 0.00 C ATOM 2596 CE1 HIS B 72 15.056 -10.166 -8.728 1.00 0.00 C ATOM 2597 NE2 HIS B 72 15.472 -8.935 -8.494 1.00 0.00 N ATOM 0 H HIS B 72 11.336 -11.702 -5.974 1.00 0.00 H new ATOM 0 HA HIS B 72 13.169 -9.710 -4.822 1.00 0.00 H new ATOM 0 HB2 HIS B 72 11.441 -9.281 -7.279 1.00 0.00 H new ATOM 0 HB3 HIS B 72 12.183 -7.992 -6.352 1.00 0.00 H new ATOM 0 HD1 HIS B 72 13.347 -11.196 -8.125 1.00 0.00 H new ATOM 0 HD2 HIS B 72 14.612 -7.280 -7.340 1.00 0.00 H new ATOM 0 HE1 HIS B 72 15.574 -10.906 -9.320 1.00 0.00 H new ATOM 2606 N PHE B 73 11.005 -10.199 -3.366 1.00 0.00 N ATOM 2607 CA PHE B 73 9.894 -10.016 -2.441 1.00 0.00 C ATOM 2608 C PHE B 73 10.342 -10.259 -1.003 1.00 0.00 C ATOM 2609 O PHE B 73 11.115 -11.175 -0.728 1.00 0.00 O ATOM 2610 CB PHE B 73 8.745 -10.959 -2.825 1.00 0.00 C ATOM 2611 CG PHE B 73 7.754 -11.233 -1.724 1.00 0.00 C ATOM 2612 CD1 PHE B 73 7.234 -10.203 -0.958 1.00 0.00 C ATOM 2613 CD2 PHE B 73 7.334 -12.528 -1.470 1.00 0.00 C ATOM 2614 CE1 PHE B 73 6.317 -10.460 0.043 1.00 0.00 C ATOM 2615 CE2 PHE B 73 6.419 -12.792 -0.471 1.00 0.00 C ATOM 2616 CZ PHE B 73 5.910 -11.757 0.288 1.00 0.00 C ATOM 0 H PHE B 73 11.735 -10.823 -3.023 1.00 0.00 H new ATOM 0 HA PHE B 73 9.542 -8.987 -2.507 1.00 0.00 H new ATOM 0 HB2 PHE B 73 8.213 -10.532 -3.675 1.00 0.00 H new ATOM 0 HB3 PHE B 73 9.168 -11.907 -3.157 1.00 0.00 H new ATOM 0 HD1 PHE B 73 7.549 -9.187 -1.145 1.00 0.00 H new ATOM 0 HD2 PHE B 73 7.727 -13.342 -2.061 1.00 0.00 H new ATOM 0 HE1 PHE B 73 5.919 -9.648 0.633 1.00 0.00 H new ATOM 0 HE2 PHE B 73 6.101 -13.807 -0.283 1.00 0.00 H new ATOM 0 HZ PHE B 73 5.195 -11.961 1.071 1.00 0.00 H new ATOM 2626 N ILE B 74 9.857 -9.421 -0.093 1.00 0.00 N ATOM 2627 CA ILE B 74 10.211 -9.533 1.314 1.00 0.00 C ATOM 2628 C ILE B 74 9.244 -8.748 2.190 1.00 0.00 C ATOM 2629 O ILE B 74 8.768 -7.678 1.813 1.00 0.00 O ATOM 2630 CB ILE B 74 11.644 -9.029 1.580 1.00 0.00 C ATOM 2631 CG1 ILE B 74 11.976 -9.128 3.074 1.00 0.00 C ATOM 2632 CG2 ILE B 74 11.801 -7.598 1.087 1.00 0.00 C ATOM 2633 CD1 ILE B 74 13.343 -8.586 3.429 1.00 0.00 C ATOM 0 H ILE B 74 9.217 -8.656 -0.307 1.00 0.00 H new ATOM 0 HA ILE B 74 10.152 -10.592 1.566 1.00 0.00 H new ATOM 0 HB ILE B 74 12.344 -9.659 1.032 1.00 0.00 H new ATOM 0 HG12 ILE B 74 11.221 -8.585 3.642 1.00 0.00 H new ATOM 0 HG13 ILE B 74 11.917 -10.172 3.382 1.00 0.00 H new ATOM 0 HG21 ILE B 74 12.817 -7.256 1.281 1.00 0.00 H new ATOM 0 HG22 ILE B 74 11.603 -7.558 0.016 1.00 0.00 H new ATOM 0 HG23 ILE B 74 11.095 -6.953 1.610 1.00 0.00 H new ATOM 0 HD11 ILE B 74 13.508 -8.689 4.501 1.00 0.00 H new ATOM 0 HD12 ILE B 74 14.107 -9.145 2.889 1.00 0.00 H new ATOM 0 HD13 ILE B 74 13.400 -7.533 3.153 1.00 0.00 H new ATOM 2645 N TYR B 75 8.975 -9.292 3.366 1.00 0.00 N ATOM 2646 CA TYR B 75 8.079 -8.657 4.322 1.00 0.00 C ATOM 2647 C TYR B 75 8.533 -8.988 5.738 1.00 0.00 C ATOM 2648 O TYR B 75 8.742 -10.153 6.072 1.00 0.00 O ATOM 2649 CB TYR B 75 6.641 -9.141 4.102 1.00 0.00 C ATOM 2650 CG TYR B 75 5.589 -8.342 4.846 1.00 0.00 C ATOM 2651 CD1 TYR B 75 5.905 -7.155 5.500 1.00 0.00 C ATOM 2652 CD2 TYR B 75 4.270 -8.774 4.883 1.00 0.00 C ATOM 2653 CE1 TYR B 75 4.939 -6.429 6.171 1.00 0.00 C ATOM 2654 CE2 TYR B 75 3.299 -8.052 5.550 1.00 0.00 C ATOM 2655 CZ TYR B 75 3.639 -6.882 6.192 1.00 0.00 C ATOM 2656 OH TYR B 75 2.673 -6.162 6.858 1.00 0.00 O ATOM 0 H TYR B 75 9.367 -10.178 3.684 1.00 0.00 H new ATOM 0 HA TYR B 75 8.106 -7.577 4.178 1.00 0.00 H new ATOM 0 HB2 TYR B 75 6.419 -9.107 3.036 1.00 0.00 H new ATOM 0 HB3 TYR B 75 6.571 -10.185 4.409 1.00 0.00 H new ATOM 0 HD1 TYR B 75 6.923 -6.795 5.483 1.00 0.00 H new ATOM 0 HD2 TYR B 75 3.998 -9.691 4.381 1.00 0.00 H new ATOM 0 HE1 TYR B 75 5.202 -5.511 6.676 1.00 0.00 H new ATOM 0 HE2 TYR B 75 2.278 -8.404 5.568 1.00 0.00 H new ATOM 0 HH TYR B 75 2.467 -5.347 6.354 1.00 0.00 H new ATOM 2666 N PHE B 76 8.703 -7.962 6.565 1.00 0.00 N ATOM 2667 CA PHE B 76 9.154 -8.174 7.936 1.00 0.00 C ATOM 2668 C PHE B 76 8.618 -7.121 8.888 1.00 0.00 C ATOM 2669 O PHE B 76 8.516 -5.941 8.549 1.00 0.00 O ATOM 2670 CB PHE B 76 10.683 -8.212 8.003 1.00 0.00 C ATOM 2671 CG PHE B 76 11.358 -6.942 7.565 1.00 0.00 C ATOM 2672 CD1 PHE B 76 11.220 -6.472 6.267 1.00 0.00 C ATOM 2673 CD2 PHE B 76 12.143 -6.225 8.453 1.00 0.00 C ATOM 2674 CE1 PHE B 76 11.857 -5.313 5.864 1.00 0.00 C ATOM 2675 CE2 PHE B 76 12.778 -5.065 8.058 1.00 0.00 C ATOM 2676 CZ PHE B 76 12.636 -4.607 6.762 1.00 0.00 C ATOM 0 H PHE B 76 8.538 -6.987 6.315 1.00 0.00 H new ATOM 0 HA PHE B 76 8.756 -9.138 8.254 1.00 0.00 H new ATOM 0 HB2 PHE B 76 10.984 -8.434 9.027 1.00 0.00 H new ATOM 0 HB3 PHE B 76 11.041 -9.032 7.381 1.00 0.00 H new ATOM 0 HD1 PHE B 76 10.608 -7.017 5.564 1.00 0.00 H new ATOM 0 HD2 PHE B 76 12.260 -6.578 9.467 1.00 0.00 H new ATOM 0 HE1 PHE B 76 11.746 -4.960 4.849 1.00 0.00 H new ATOM 0 HE2 PHE B 76 13.386 -4.515 8.762 1.00 0.00 H new ATOM 0 HZ PHE B 76 13.132 -3.700 6.451 1.00 0.00 H new ATOM 2686 N TYR B 77 8.279 -7.574 10.088 1.00 0.00 N ATOM 2687 CA TYR B 77 7.749 -6.704 11.119 1.00 0.00 C ATOM 2688 C TYR B 77 8.881 -6.138 11.960 1.00 0.00 C ATOM 2689 O TYR B 77 9.671 -6.886 12.538 1.00 0.00 O ATOM 2690 CB TYR B 77 6.776 -7.479 12.004 1.00 0.00 C ATOM 2691 CG TYR B 77 5.882 -6.593 12.830 1.00 0.00 C ATOM 2692 CD1 TYR B 77 5.006 -5.716 12.214 1.00 0.00 C ATOM 2693 CD2 TYR B 77 5.914 -6.628 14.216 1.00 0.00 C ATOM 2694 CE1 TYR B 77 4.180 -4.893 12.954 1.00 0.00 C ATOM 2695 CE2 TYR B 77 5.092 -5.810 14.968 1.00 0.00 C ATOM 2696 CZ TYR B 77 4.225 -4.944 14.332 1.00 0.00 C ATOM 2697 OH TYR B 77 3.405 -4.127 15.075 1.00 0.00 O ATOM 0 H TYR B 77 8.365 -8.551 10.369 1.00 0.00 H new ATOM 0 HA TYR B 77 7.218 -5.878 10.645 1.00 0.00 H new ATOM 0 HB2 TYR B 77 6.158 -8.121 11.376 1.00 0.00 H new ATOM 0 HB3 TYR B 77 7.342 -8.132 12.668 1.00 0.00 H new ATOM 0 HD1 TYR B 77 4.968 -5.675 11.135 1.00 0.00 H new ATOM 0 HD2 TYR B 77 6.592 -7.305 14.715 1.00 0.00 H new ATOM 0 HE1 TYR B 77 3.503 -4.214 12.457 1.00 0.00 H new ATOM 0 HE2 TYR B 77 5.128 -5.848 16.047 1.00 0.00 H new ATOM 0 HH TYR B 77 3.560 -4.288 16.029 1.00 0.00 H new ATOM 2707 N LEU B 78 8.958 -4.818 12.030 1.00 0.00 N ATOM 2708 CA LEU B 78 9.996 -4.161 12.805 1.00 0.00 C ATOM 2709 C LEU B 78 9.380 -3.285 13.888 1.00 0.00 C ATOM 2710 O LEU B 78 8.611 -2.367 13.600 1.00 0.00 O ATOM 2711 CB LEU B 78 10.888 -3.327 11.884 1.00 0.00 C ATOM 2712 CG LEU B 78 12.046 -2.610 12.576 1.00 0.00 C ATOM 2713 CD1 LEU B 78 12.874 -3.592 13.389 1.00 0.00 C ATOM 2714 CD2 LEU B 78 12.918 -1.901 11.549 1.00 0.00 C ATOM 0 H LEU B 78 8.314 -4.182 11.559 1.00 0.00 H new ATOM 0 HA LEU B 78 10.607 -4.923 13.289 1.00 0.00 H new ATOM 0 HB2 LEU B 78 11.295 -3.979 11.111 1.00 0.00 H new ATOM 0 HB3 LEU B 78 10.270 -2.583 11.381 1.00 0.00 H new ATOM 0 HG LEU B 78 11.634 -1.865 13.256 1.00 0.00 H new ATOM 0 HD11 LEU B 78 13.694 -3.062 13.874 1.00 0.00 H new ATOM 0 HD12 LEU B 78 12.245 -4.059 14.147 1.00 0.00 H new ATOM 0 HD13 LEU B 78 13.278 -4.360 12.730 1.00 0.00 H new ATOM 0 HD21 LEU B 78 13.739 -1.394 12.056 1.00 0.00 H new ATOM 0 HD22 LEU B 78 13.321 -2.631 10.847 1.00 0.00 H new ATOM 0 HD23 LEU B 78 12.320 -1.169 11.007 1.00 0.00 H new ATOM 2726 N GLY B 79 9.713 -3.583 15.140 1.00 0.00 N ATOM 2727 CA GLY B 79 9.174 -2.822 16.251 1.00 0.00 C ATOM 2728 C GLY B 79 7.665 -2.723 16.189 1.00 0.00 C ATOM 2729 O GLY B 79 6.981 -3.723 15.961 1.00 0.00 O ATOM 0 H GLY B 79 10.346 -4.338 15.404 1.00 0.00 H new ATOM 0 HA2 GLY B 79 9.469 -3.292 17.189 1.00 0.00 H new ATOM 0 HA3 GLY B 79 9.604 -1.820 16.247 1.00 0.00 H new ATOM 2733 N GLN B 80 7.143 -1.519 16.380 1.00 0.00 N ATOM 2734 CA GLN B 80 5.704 -1.300 16.331 1.00 0.00 C ATOM 2735 C GLN B 80 5.262 -0.950 14.913 1.00 0.00 C ATOM 2736 O GLN B 80 4.450 -0.046 14.710 1.00 0.00 O ATOM 2737 CB GLN B 80 5.305 -0.181 17.295 1.00 0.00 C ATOM 2738 CG GLN B 80 5.669 -0.472 18.742 1.00 0.00 C ATOM 2739 CD GLN B 80 5.265 0.647 19.681 1.00 0.00 C ATOM 2740 OE1 GLN B 80 4.088 0.990 19.788 1.00 0.00 O ATOM 2741 NE2 GLN B 80 6.244 1.223 20.369 1.00 0.00 N ATOM 0 H GLN B 80 7.693 -0.681 16.570 1.00 0.00 H new ATOM 0 HA GLN B 80 5.206 -2.222 16.633 1.00 0.00 H new ATOM 0 HB2 GLN B 80 5.790 0.745 16.985 1.00 0.00 H new ATOM 0 HB3 GLN B 80 4.230 -0.017 17.225 1.00 0.00 H new ATOM 0 HG2 GLN B 80 5.185 -1.397 19.056 1.00 0.00 H new ATOM 0 HG3 GLN B 80 6.744 -0.634 18.817 1.00 0.00 H new ATOM 0 HE21 GLN B 80 7.206 0.907 20.249 1.00 0.00 H new ATOM 0 HE22 GLN B 80 6.034 1.982 21.017 1.00 0.00 H new ATOM 2750 N VAL B 81 5.805 -1.664 13.928 1.00 0.00 N ATOM 2751 CA VAL B 81 5.465 -1.415 12.536 1.00 0.00 C ATOM 2752 C VAL B 81 5.965 -2.522 11.622 1.00 0.00 C ATOM 2753 O VAL B 81 6.876 -3.275 11.964 1.00 0.00 O ATOM 2754 CB VAL B 81 6.030 -0.068 12.057 1.00 0.00 C ATOM 2755 CG1 VAL B 81 7.527 0.013 12.320 1.00 0.00 C ATOM 2756 CG2 VAL B 81 5.727 0.172 10.585 1.00 0.00 C ATOM 0 H VAL B 81 6.479 -2.416 14.071 1.00 0.00 H new ATOM 0 HA VAL B 81 4.377 -1.388 12.484 1.00 0.00 H new ATOM 0 HB VAL B 81 5.537 0.719 12.628 1.00 0.00 H new ATOM 0 HG11 VAL B 81 7.906 0.974 11.973 1.00 0.00 H new ATOM 0 HG12 VAL B 81 7.715 -0.087 13.389 1.00 0.00 H new ATOM 0 HG13 VAL B 81 8.034 -0.791 11.786 1.00 0.00 H new ATOM 0 HG21 VAL B 81 6.141 1.133 10.280 1.00 0.00 H new ATOM 0 HG22 VAL B 81 6.175 -0.622 9.987 1.00 0.00 H new ATOM 0 HG23 VAL B 81 4.648 0.177 10.432 1.00 0.00 H new ATOM 2766 N ALA B 82 5.346 -2.598 10.456 1.00 0.00 N ATOM 2767 CA ALA B 82 5.693 -3.598 9.451 1.00 0.00 C ATOM 2768 C ALA B 82 6.223 -2.934 8.187 1.00 0.00 C ATOM 2769 O ALA B 82 5.811 -1.830 7.840 1.00 0.00 O ATOM 2770 CB ALA B 82 4.482 -4.456 9.123 1.00 0.00 C ATOM 0 H ALA B 82 4.591 -1.972 10.176 1.00 0.00 H new ATOM 0 HA ALA B 82 6.478 -4.234 9.859 1.00 0.00 H new ATOM 0 HB1 ALA B 82 4.754 -5.198 8.372 1.00 0.00 H new ATOM 0 HB2 ALA B 82 4.139 -4.962 10.026 1.00 0.00 H new ATOM 0 HB3 ALA B 82 3.683 -3.824 8.736 1.00 0.00 H new ATOM 2776 N ILE B 83 7.136 -3.615 7.503 1.00 0.00 N ATOM 2777 CA ILE B 83 7.715 -3.086 6.276 1.00 0.00 C ATOM 2778 C ILE B 83 7.650 -4.121 5.157 1.00 0.00 C ATOM 2779 O ILE B 83 8.351 -5.132 5.188 1.00 0.00 O ATOM 2780 CB ILE B 83 9.179 -2.641 6.479 1.00 0.00 C ATOM 2781 CG1 ILE B 83 9.267 -1.564 7.565 1.00 0.00 C ATOM 2782 CG2 ILE B 83 9.771 -2.127 5.174 1.00 0.00 C ATOM 2783 CD1 ILE B 83 8.974 -2.076 8.959 1.00 0.00 C ATOM 0 H ILE B 83 7.489 -4.532 7.777 1.00 0.00 H new ATOM 0 HA ILE B 83 7.126 -2.213 5.997 1.00 0.00 H new ATOM 0 HB ILE B 83 9.757 -3.507 6.801 1.00 0.00 H new ATOM 0 HG12 ILE B 83 10.266 -1.128 7.551 1.00 0.00 H new ATOM 0 HG13 ILE B 83 8.566 -0.764 7.327 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.803 -1.819 5.339 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.744 -2.919 4.426 1.00 0.00 H new ATOM 0 HG23 ILE B 83 9.190 -1.275 4.821 1.00 0.00 H new ATOM 0 HD11 ILE B 83 9.056 -1.256 9.672 1.00 0.00 H new ATOM 0 HD12 ILE B 83 7.964 -2.486 8.991 1.00 0.00 H new ATOM 0 HD13 ILE B 83 9.690 -2.856 9.218 1.00 0.00 H new ATOM 2795 N LEU B 84 6.796 -3.858 4.174 1.00 0.00 N ATOM 2796 CA LEU B 84 6.621 -4.763 3.041 1.00 0.00 C ATOM 2797 C LEU B 84 7.321 -4.236 1.787 1.00 0.00 C ATOM 2798 O LEU B 84 7.300 -3.037 1.510 1.00 0.00 O ATOM 2799 CB LEU B 84 5.132 -4.966 2.758 1.00 0.00 C ATOM 2800 CG LEU B 84 4.813 -5.852 1.554 1.00 0.00 C ATOM 2801 CD1 LEU B 84 5.405 -7.239 1.738 1.00 0.00 C ATOM 2802 CD2 LEU B 84 3.310 -5.936 1.339 1.00 0.00 C ATOM 0 H LEU B 84 6.212 -3.023 4.138 1.00 0.00 H new ATOM 0 HA LEU B 84 7.076 -5.718 3.304 1.00 0.00 H new ATOM 0 HB2 LEU B 84 4.667 -5.401 3.642 1.00 0.00 H new ATOM 0 HB3 LEU B 84 4.672 -3.990 2.603 1.00 0.00 H new ATOM 0 HG LEU B 84 5.263 -5.404 0.668 1.00 0.00 H new ATOM 0 HD11 LEU B 84 5.167 -7.854 0.870 1.00 0.00 H new ATOM 0 HD12 LEU B 84 6.487 -7.162 1.842 1.00 0.00 H new ATOM 0 HD13 LEU B 84 4.986 -7.697 2.634 1.00 0.00 H new ATOM 0 HD21 LEU B 84 3.101 -6.571 0.478 1.00 0.00 H new ATOM 0 HD22 LEU B 84 2.839 -6.360 2.226 1.00 0.00 H new ATOM 0 HD23 LEU B 84 2.912 -4.937 1.159 1.00 0.00 H new ATOM 2814 N LEU B 85 7.933 -5.145 1.033 1.00 0.00 N ATOM 2815 CA LEU B 85 8.635 -4.777 -0.199 1.00 0.00 C ATOM 2816 C LEU B 85 8.584 -5.908 -1.222 1.00 0.00 C ATOM 2817 O LEU B 85 8.738 -7.078 -0.874 1.00 0.00 O ATOM 2818 CB LEU B 85 10.094 -4.424 0.098 1.00 0.00 C ATOM 2819 CG LEU B 85 10.931 -4.050 -1.129 1.00 0.00 C ATOM 2820 CD1 LEU B 85 10.364 -2.811 -1.805 1.00 0.00 C ATOM 2821 CD2 LEU B 85 12.382 -3.827 -0.732 1.00 0.00 C ATOM 0 H LEU B 85 7.959 -6.141 1.251 1.00 0.00 H new ATOM 0 HA LEU B 85 8.131 -3.905 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU B 85 10.115 -3.591 0.801 1.00 0.00 H new ATOM 0 HB3 LEU B 85 10.564 -5.273 0.595 1.00 0.00 H new ATOM 0 HG LEU B 85 10.891 -4.875 -1.840 1.00 0.00 H new ATOM 0 HD11 LEU B 85 10.972 -2.561 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU B 85 9.340 -3.006 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU B 85 10.374 -1.977 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU B 85 12.964 -3.562 -1.615 1.00 0.00 H new ATOM 0 HD22 LEU B 85 12.440 -3.019 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU B 85 12.784 -4.740 -0.293 1.00 0.00 H new ATOM 2833 N PHE B 86 8.371 -5.552 -2.489 1.00 0.00 N ATOM 2834 CA PHE B 86 8.304 -6.544 -3.562 1.00 0.00 C ATOM 2835 C PHE B 86 8.089 -5.875 -4.915 1.00 0.00 C ATOM 2836 O PHE B 86 7.348 -4.899 -5.023 1.00 0.00 O ATOM 2837 CB PHE B 86 7.177 -7.543 -3.293 1.00 0.00 C ATOM 2838 CG PHE B 86 5.805 -6.925 -3.277 1.00 0.00 C ATOM 2839 CD1 PHE B 86 5.224 -6.458 -4.447 1.00 0.00 C ATOM 2840 CD2 PHE B 86 5.098 -6.809 -2.091 1.00 0.00 C ATOM 2841 CE1 PHE B 86 3.964 -5.887 -4.432 1.00 0.00 C ATOM 2842 CE2 PHE B 86 3.839 -6.240 -2.072 1.00 0.00 C ATOM 2843 CZ PHE B 86 3.272 -5.779 -3.243 1.00 0.00 C ATOM 0 H PHE B 86 8.242 -4.588 -2.797 1.00 0.00 H new ATOM 0 HA PHE B 86 9.256 -7.075 -3.587 1.00 0.00 H new ATOM 0 HB2 PHE B 86 7.205 -8.321 -4.055 1.00 0.00 H new ATOM 0 HB3 PHE B 86 7.357 -8.029 -2.334 1.00 0.00 H new ATOM 0 HD1 PHE B 86 5.761 -6.541 -5.380 1.00 0.00 H new ATOM 0 HD2 PHE B 86 5.536 -7.167 -1.171 1.00 0.00 H new ATOM 0 HE1 PHE B 86 3.523 -5.526 -5.349 1.00 0.00 H new ATOM 0 HE2 PHE B 86 3.298 -6.156 -1.141 1.00 0.00 H new ATOM 0 HZ PHE B 86 2.288 -5.334 -3.229 1.00 0.00 H new ATOM 2853 N LYS B 87 8.737 -6.405 -5.951 1.00 0.00 N ATOM 2854 CA LYS B 87 8.598 -5.848 -7.292 1.00 0.00 C ATOM 2855 C LYS B 87 7.319 -6.343 -7.956 1.00 0.00 C ATOM 2856 O LYS B 87 7.016 -7.533 -7.937 1.00 0.00 O ATOM 2857 CB LYS B 87 9.802 -6.215 -8.163 1.00 0.00 C ATOM 2858 CG LYS B 87 11.133 -5.731 -7.612 1.00 0.00 C ATOM 2859 CD LYS B 87 12.265 -5.992 -8.596 1.00 0.00 C ATOM 2860 CE LYS B 87 12.136 -5.123 -9.836 1.00 0.00 C ATOM 2861 NZ LYS B 87 13.223 -5.394 -10.819 1.00 0.00 N ATOM 0 H LYS B 87 9.358 -7.212 -5.888 1.00 0.00 H new ATOM 0 HA LYS B 87 8.549 -4.764 -7.194 1.00 0.00 H new ATOM 0 HB2 LYS B 87 9.839 -7.299 -8.276 1.00 0.00 H new ATOM 0 HB3 LYS B 87 9.658 -5.796 -9.159 1.00 0.00 H new ATOM 0 HG2 LYS B 87 11.074 -4.664 -7.397 1.00 0.00 H new ATOM 0 HG3 LYS B 87 11.344 -6.235 -6.669 1.00 0.00 H new ATOM 0 HD2 LYS B 87 13.222 -5.797 -8.112 1.00 0.00 H new ATOM 0 HD3 LYS B 87 12.262 -7.043 -8.885 1.00 0.00 H new ATOM 0 HE2 LYS B 87 11.169 -5.302 -10.306 1.00 0.00 H new ATOM 0 HE3 LYS B 87 12.161 -4.072 -9.547 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 13.234 -4.644 -11.540 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 14.139 -5.415 -10.327 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 13.055 -6.312 -11.278 1.00 0.00 H new ATOM 2875 N SER B 88 6.580 -5.423 -8.555 1.00 0.00 N ATOM 2876 CA SER B 88 5.339 -5.763 -9.237 1.00 0.00 C ATOM 2877 C SER B 88 5.048 -4.756 -10.337 1.00 0.00 C ATOM 2878 O SER B 88 3.921 -4.285 -10.490 1.00 0.00 O ATOM 2879 CB SER B 88 4.177 -5.810 -8.245 1.00 0.00 C ATOM 2880 OG SER B 88 2.953 -6.074 -8.911 1.00 0.00 O ATOM 0 H SER B 88 6.818 -4.432 -8.583 1.00 0.00 H new ATOM 0 HA SER B 88 5.453 -6.750 -9.686 1.00 0.00 H new ATOM 0 HB2 SER B 88 4.363 -6.581 -7.498 1.00 0.00 H new ATOM 0 HB3 SER B 88 4.109 -4.861 -7.713 1.00 0.00 H new ATOM 0 HG SER B 88 2.512 -6.842 -8.492 1.00 0.00 H new ATOM 2886 N GLY B 89 6.081 -4.432 -11.101 1.00 0.00 N ATOM 2887 CA GLY B 89 5.936 -3.478 -12.185 1.00 0.00 C ATOM 2888 C GLY B 89 4.919 -3.922 -13.218 1.00 0.00 C ATOM 2889 O GLY B 89 5.014 -5.075 -13.688 1.00 0.00 O ATOM 2890 OXT GLY B 89 4.028 -3.115 -13.557 1.00 0.00 O ATOM 0 H GLY B 89 7.021 -4.813 -10.990 1.00 0.00 H new ATOM 0 HA2 GLY B 89 5.637 -2.512 -11.777 1.00 0.00 H new ATOM 0 HA3 GLY B 89 6.902 -3.334 -12.669 1.00 0.00 H new TER 2894 GLY B 89 ATOM 2895 N MET C 1 0.153 4.199 -18.001 1.00 0.00 N ATOM 2896 CA MET C 1 -0.146 4.453 -16.567 1.00 0.00 C ATOM 2897 C MET C 1 -0.221 5.948 -16.275 1.00 0.00 C ATOM 2898 O MET C 1 0.540 6.738 -16.834 1.00 0.00 O ATOM 2899 CB MET C 1 0.945 3.801 -15.715 1.00 0.00 C ATOM 2900 CG MET C 1 2.345 4.301 -16.034 1.00 0.00 C ATOM 2901 SD MET C 1 3.608 3.531 -15.002 1.00 0.00 S ATOM 2902 CE MET C 1 5.088 4.317 -15.635 1.00 0.00 C ATOM 0 H1 MET C 1 0.739 3.344 -18.087 1.00 0.00 H new ATOM 0 H2 MET C 1 -0.737 4.063 -18.522 1.00 0.00 H new ATOM 0 H3 MET C 1 0.666 5.012 -18.398 1.00 0.00 H new ATOM 0 HA MET C 1 -1.117 4.022 -16.324 1.00 0.00 H new ATOM 0 HB2 MET C 1 0.733 3.987 -14.662 1.00 0.00 H new ATOM 0 HB3 MET C 1 0.912 2.721 -15.861 1.00 0.00 H new ATOM 0 HG2 MET C 1 2.567 4.103 -17.083 1.00 0.00 H new ATOM 0 HG3 MET C 1 2.380 5.382 -15.899 1.00 0.00 H new ATOM 0 HE1 MET C 1 5.958 3.943 -15.095 1.00 0.00 H new ATOM 0 HE2 MET C 1 5.195 4.091 -16.696 1.00 0.00 H new ATOM 0 HE3 MET C 1 5.013 5.396 -15.500 1.00 0.00 H new ATOM 2914 N SER C 2 -1.148 6.332 -15.402 1.00 0.00 N ATOM 2915 CA SER C 2 -1.328 7.734 -15.046 1.00 0.00 C ATOM 2916 C SER C 2 -0.117 8.277 -14.292 1.00 0.00 C ATOM 2917 O SER C 2 0.589 9.153 -14.787 1.00 0.00 O ATOM 2918 CB SER C 2 -2.588 7.906 -14.197 1.00 0.00 C ATOM 2919 OG SER C 2 -2.782 9.266 -13.843 1.00 0.00 O ATOM 0 H SER C 2 -1.785 5.691 -14.929 1.00 0.00 H new ATOM 0 HA SER C 2 -1.435 8.301 -15.971 1.00 0.00 H new ATOM 0 HB2 SER C 2 -3.455 7.543 -14.749 1.00 0.00 H new ATOM 0 HB3 SER C 2 -2.508 7.300 -13.295 1.00 0.00 H new ATOM 0 HG SER C 2 -2.147 9.515 -13.139 1.00 0.00 H new ATOM 2925 N CYS C 3 0.116 7.752 -13.089 1.00 0.00 N ATOM 2926 CA CYS C 3 1.242 8.188 -12.264 1.00 0.00 C ATOM 2927 C CYS C 3 1.209 7.527 -10.888 1.00 0.00 C ATOM 2928 O CYS C 3 0.141 7.276 -10.331 1.00 0.00 O ATOM 2929 CB CYS C 3 1.234 9.712 -12.106 1.00 0.00 C ATOM 2930 SG CYS C 3 -0.324 10.384 -11.483 1.00 0.00 S ATOM 0 H CYS C 3 -0.460 7.025 -12.665 1.00 0.00 H new ATOM 0 HA CYS C 3 2.158 7.885 -12.770 1.00 0.00 H new ATOM 0 HB2 CYS C 3 2.038 10.000 -11.428 1.00 0.00 H new ATOM 0 HB3 CYS C 3 1.453 10.167 -13.072 1.00 0.00 H new ATOM 0 HG CYS C 3 -0.230 11.677 -11.383 1.00 0.00 H new ATOM 2936 N ASP C 4 2.393 7.245 -10.349 1.00 0.00 N ATOM 2937 CA ASP C 4 2.518 6.611 -9.039 1.00 0.00 C ATOM 2938 C ASP C 4 1.769 7.396 -7.965 1.00 0.00 C ATOM 2939 O ASP C 4 1.545 8.600 -8.102 1.00 0.00 O ATOM 2940 CB ASP C 4 3.992 6.484 -8.654 1.00 0.00 C ATOM 2941 CG ASP C 4 4.681 7.830 -8.554 1.00 0.00 C ATOM 2942 OD1 ASP C 4 4.246 8.660 -7.727 1.00 0.00 O ATOM 2943 OD2 ASP C 4 5.656 8.056 -9.302 1.00 0.00 O ATOM 0 H ASP C 4 3.284 7.447 -10.802 1.00 0.00 H new ATOM 0 HA ASP C 4 2.073 5.618 -9.106 1.00 0.00 H new ATOM 0 HB2 ASP C 4 4.072 5.966 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP C 4 4.506 5.870 -9.393 1.00 0.00 H new ATOM 2948 N LYS C 5 1.384 6.705 -6.896 1.00 0.00 N ATOM 2949 CA LYS C 5 0.658 7.333 -5.796 1.00 0.00 C ATOM 2950 C LYS C 5 1.000 6.682 -4.461 1.00 0.00 C ATOM 2951 O LYS C 5 1.039 5.455 -4.344 1.00 0.00 O ATOM 2952 CB LYS C 5 -0.850 7.255 -6.038 1.00 0.00 C ATOM 2953 CG LYS C 5 -1.330 8.115 -7.194 1.00 0.00 C ATOM 2954 CD LYS C 5 -1.065 9.590 -6.936 1.00 0.00 C ATOM 2955 CE LYS C 5 -1.596 10.458 -8.065 1.00 0.00 C ATOM 2956 NZ LYS C 5 -1.332 11.903 -7.824 1.00 0.00 N ATOM 0 H LYS C 5 1.563 5.709 -6.768 1.00 0.00 H new ATOM 0 HA LYS C 5 0.962 8.379 -5.755 1.00 0.00 H new ATOM 0 HB2 LYS C 5 -1.125 6.218 -6.230 1.00 0.00 H new ATOM 0 HB3 LYS C 5 -1.371 7.559 -5.130 1.00 0.00 H new ATOM 0 HG2 LYS C 5 -0.827 7.808 -8.111 1.00 0.00 H new ATOM 0 HG3 LYS C 5 -2.397 7.957 -7.348 1.00 0.00 H new ATOM 0 HD2 LYS C 5 -1.533 9.886 -5.997 1.00 0.00 H new ATOM 0 HD3 LYS C 5 0.007 9.754 -6.823 1.00 0.00 H new ATOM 0 HE2 LYS C 5 -1.133 10.156 -9.004 1.00 0.00 H new ATOM 0 HE3 LYS C 5 -2.669 10.298 -8.173 1.00 0.00 H new ATOM 0 HZ1 LYS C 5 -1.709 12.462 -8.616 1.00 0.00 H new ATOM 0 HZ2 LYS C 5 -1.795 12.198 -6.941 1.00 0.00 H new ATOM 0 HZ3 LYS C 5 -0.307 12.060 -7.747 1.00 0.00 H new ATOM 2970 N SER C 6 1.244 7.517 -3.454 1.00 0.00 N ATOM 2971 CA SER C 6 1.576 7.032 -2.121 1.00 0.00 C ATOM 2972 C SER C 6 0.364 7.120 -1.196 1.00 0.00 C ATOM 2973 O SER C 6 -0.215 8.192 -1.016 1.00 0.00 O ATOM 2974 CB SER C 6 2.739 7.837 -1.537 1.00 0.00 C ATOM 2975 OG SER C 6 3.072 7.384 -0.236 1.00 0.00 O ATOM 0 H SER C 6 1.218 8.533 -3.538 1.00 0.00 H new ATOM 0 HA SER C 6 1.874 5.987 -2.203 1.00 0.00 H new ATOM 0 HB2 SER C 6 3.608 7.751 -2.189 1.00 0.00 H new ATOM 0 HB3 SER C 6 2.472 8.893 -1.500 1.00 0.00 H new ATOM 0 HG SER C 6 2.828 6.439 -0.146 1.00 0.00 H new ATOM 2981 N THR C 7 -0.015 5.987 -0.617 1.00 0.00 N ATOM 2982 CA THR C 7 -1.157 5.930 0.286 1.00 0.00 C ATOM 2983 C THR C 7 -0.724 6.143 1.733 1.00 0.00 C ATOM 2984 O THR C 7 0.404 5.821 2.106 1.00 0.00 O ATOM 2985 CB THR C 7 -1.872 4.586 0.146 1.00 0.00 C ATOM 2986 OG1 THR C 7 -1.020 3.522 0.533 1.00 0.00 O ATOM 2987 CG2 THR C 7 -2.338 4.309 -1.266 1.00 0.00 C ATOM 0 H THR C 7 0.454 5.092 -0.758 1.00 0.00 H new ATOM 0 HA THR C 7 -1.844 6.732 0.014 1.00 0.00 H new ATOM 0 HB THR C 7 -2.744 4.649 0.798 1.00 0.00 H new ATOM 0 HG1 THR C 7 -0.556 3.171 -0.256 1.00 0.00 H new ATOM 0 HG21 THR C 7 -2.838 3.341 -1.301 1.00 0.00 H new ATOM 0 HG22 THR C 7 -3.033 5.088 -1.579 1.00 0.00 H new ATOM 0 HG23 THR C 7 -1.479 4.298 -1.937 1.00 0.00 H new ATOM 2995 N GLN C 8 -1.627 6.685 2.546 1.00 0.00 N ATOM 2996 CA GLN C 8 -1.339 6.935 3.954 1.00 0.00 C ATOM 2997 C GLN C 8 -2.614 7.303 4.704 1.00 0.00 C ATOM 2998 O GLN C 8 -3.357 8.191 4.287 1.00 0.00 O ATOM 2999 CB GLN C 8 -0.304 8.056 4.088 1.00 0.00 C ATOM 3000 CG GLN C 8 0.239 8.237 5.501 1.00 0.00 C ATOM 3001 CD GLN C 8 -0.816 8.688 6.494 1.00 0.00 C ATOM 3002 OE1 GLN C 8 -1.439 9.734 6.322 1.00 0.00 O ATOM 3003 NE2 GLN C 8 -1.015 7.896 7.541 1.00 0.00 N ATOM 0 H GLN C 8 -2.565 6.959 2.253 1.00 0.00 H new ATOM 0 HA GLN C 8 -0.932 6.024 4.392 1.00 0.00 H new ATOM 0 HB2 GLN C 8 0.528 7.850 3.414 1.00 0.00 H new ATOM 0 HB3 GLN C 8 -0.755 8.993 3.761 1.00 0.00 H new ATOM 0 HG2 GLN C 8 0.670 7.295 5.841 1.00 0.00 H new ATOM 0 HG3 GLN C 8 1.047 8.968 5.482 1.00 0.00 H new ATOM 0 HE21 GLN C 8 -0.474 7.037 7.641 1.00 0.00 H new ATOM 0 HE22 GLN C 8 -1.709 8.146 8.245 1.00 0.00 H new ATOM 3012 N THR C 9 -2.862 6.614 5.813 1.00 0.00 N ATOM 3013 CA THR C 9 -4.050 6.871 6.622 1.00 0.00 C ATOM 3014 C THR C 9 -3.977 8.246 7.278 1.00 0.00 C ATOM 3015 O THR C 9 -3.469 8.330 8.416 1.00 0.00 O ATOM 3016 CB THR C 9 -4.215 5.789 7.690 1.00 0.00 C ATOM 3017 OG1 THR C 9 -3.086 5.745 8.545 1.00 0.00 O ATOM 3018 CG2 THR C 9 -4.411 4.403 7.112 1.00 0.00 C ATOM 3019 OXT THR C 9 -4.427 9.224 6.648 1.00 0.00 O ATOM 0 H THR C 9 -2.258 5.875 6.172 1.00 0.00 H new ATOM 0 HA THR C 9 -4.917 6.850 5.961 1.00 0.00 H new ATOM 0 HB THR C 9 -5.113 6.066 8.242 1.00 0.00 H new ATOM 0 HG1 THR C 9 -2.859 6.654 8.834 1.00 0.00 H new ATOM 0 HG21 THR C 9 -4.522 3.683 7.923 1.00 0.00 H new ATOM 0 HG22 THR C 9 -5.307 4.391 6.491 1.00 0.00 H new ATOM 0 HG23 THR C 9 -3.546 4.136 6.505 1.00 0.00 H new TER 3027 THR C 9 ATOM 3028 N MET D 1 8.828 -14.420 -12.724 1.00 0.00 N ATOM 3029 CA MET D 1 8.607 -13.032 -12.230 1.00 0.00 C ATOM 3030 C MET D 1 7.126 -12.664 -12.246 1.00 0.00 C ATOM 3031 O MET D 1 6.745 -11.610 -12.756 1.00 0.00 O ATOM 3032 CB MET D 1 9.404 -12.053 -13.102 1.00 0.00 C ATOM 3033 CG MET D 1 10.915 -12.180 -12.963 1.00 0.00 C ATOM 3034 SD MET D 1 11.566 -13.709 -13.662 1.00 0.00 S ATOM 3035 CE MET D 1 11.061 -13.542 -15.373 1.00 0.00 C ATOM 0 H1 MET D 1 9.660 -14.438 -13.348 1.00 0.00 H new ATOM 0 H2 MET D 1 8.988 -15.055 -11.916 1.00 0.00 H new ATOM 0 H3 MET D 1 7.991 -14.737 -13.253 1.00 0.00 H new ATOM 0 HA MET D 1 8.950 -12.972 -11.197 1.00 0.00 H new ATOM 0 HB2 MET D 1 9.132 -12.210 -14.146 1.00 0.00 H new ATOM 0 HB3 MET D 1 9.111 -11.035 -12.846 1.00 0.00 H new ATOM 0 HG2 MET D 1 11.391 -11.332 -13.455 1.00 0.00 H new ATOM 0 HG3 MET D 1 11.182 -12.128 -11.907 1.00 0.00 H new ATOM 0 HE1 MET D 1 11.704 -14.156 -16.004 1.00 0.00 H new ATOM 0 HE2 MET D 1 10.027 -13.869 -15.481 1.00 0.00 H new ATOM 0 HE3 MET D 1 11.145 -12.499 -15.677 1.00 0.00 H new ATOM 3047 N SER D 2 6.298 -13.533 -11.674 1.00 0.00 N ATOM 3048 CA SER D 2 4.860 -13.298 -11.611 1.00 0.00 C ATOM 3049 C SER D 2 4.191 -14.303 -10.679 1.00 0.00 C ATOM 3050 O SER D 2 4.142 -15.497 -10.972 1.00 0.00 O ATOM 3051 CB SER D 2 4.238 -13.399 -13.006 1.00 0.00 C ATOM 3052 OG SER D 2 4.769 -12.418 -13.879 1.00 0.00 O ATOM 0 H SER D 2 6.600 -14.409 -11.246 1.00 0.00 H new ATOM 0 HA SER D 2 4.700 -12.293 -11.221 1.00 0.00 H new ATOM 0 HB2 SER D 2 4.421 -14.392 -13.417 1.00 0.00 H new ATOM 0 HB3 SER D 2 3.157 -13.278 -12.934 1.00 0.00 H new ATOM 0 HG SER D 2 5.182 -11.701 -13.353 1.00 0.00 H new ATOM 3058 N CYS D 3 3.677 -13.812 -9.558 1.00 0.00 N ATOM 3059 CA CYS D 3 3.009 -14.671 -8.587 1.00 0.00 C ATOM 3060 C CYS D 3 2.311 -13.843 -7.512 1.00 0.00 C ATOM 3061 O CYS D 3 2.923 -12.981 -6.882 1.00 0.00 O ATOM 3062 CB CYS D 3 4.016 -15.624 -7.940 1.00 0.00 C ATOM 3063 SG CYS D 3 3.291 -16.755 -6.730 1.00 0.00 S ATOM 0 H CYS D 3 3.709 -12.826 -9.299 1.00 0.00 H new ATOM 0 HA CYS D 3 2.255 -15.254 -9.116 1.00 0.00 H new ATOM 0 HB2 CYS D 3 4.501 -16.208 -8.722 1.00 0.00 H new ATOM 0 HB3 CYS D 3 4.794 -15.037 -7.452 1.00 0.00 H new ATOM 0 HG CYS D 3 2.464 -16.103 -5.968 1.00 0.00 H new ATOM 3069 N ASP D 4 1.028 -14.117 -7.304 1.00 0.00 N ATOM 3070 CA ASP D 4 0.246 -13.407 -6.300 1.00 0.00 C ATOM 3071 C ASP D 4 0.591 -13.904 -4.900 1.00 0.00 C ATOM 3072 O ASP D 4 0.953 -15.065 -4.717 1.00 0.00 O ATOM 3073 CB ASP D 4 -1.250 -13.585 -6.565 1.00 0.00 C ATOM 3074 CG ASP D 4 -1.673 -15.041 -6.532 1.00 0.00 C ATOM 3075 OD1 ASP D 4 -1.496 -15.688 -5.477 1.00 0.00 O ATOM 3076 OD2 ASP D 4 -2.182 -15.536 -7.560 1.00 0.00 O ATOM 0 H ASP D 4 0.507 -14.827 -7.819 1.00 0.00 H new ATOM 0 HA ASP D 4 0.491 -12.347 -6.364 1.00 0.00 H new ATOM 0 HB2 ASP D 4 -1.817 -13.028 -5.820 1.00 0.00 H new ATOM 0 HB3 ASP D 4 -1.497 -13.159 -7.538 1.00 0.00 H new ATOM 3081 N LYS D 5 0.479 -13.020 -3.910 1.00 0.00 N ATOM 3082 CA LYS D 5 0.784 -13.388 -2.533 1.00 0.00 C ATOM 3083 C LYS D 5 0.196 -12.391 -1.539 1.00 0.00 C ATOM 3084 O LYS D 5 0.389 -11.182 -1.665 1.00 0.00 O ATOM 3085 CB LYS D 5 2.298 -13.489 -2.334 1.00 0.00 C ATOM 3086 CG LYS D 5 2.700 -13.900 -0.927 1.00 0.00 C ATOM 3087 CD LYS D 5 2.127 -15.261 -0.561 1.00 0.00 C ATOM 3088 CE LYS D 5 2.508 -15.664 0.854 1.00 0.00 C ATOM 3089 NZ LYS D 5 3.985 -15.746 1.034 1.00 0.00 N ATOM 0 H LYS D 5 0.182 -12.052 -4.036 1.00 0.00 H new ATOM 0 HA LYS D 5 0.327 -14.360 -2.344 1.00 0.00 H new ATOM 0 HB2 LYS D 5 2.702 -14.211 -3.044 1.00 0.00 H new ATOM 0 HB3 LYS D 5 2.752 -12.525 -2.566 1.00 0.00 H new ATOM 0 HG2 LYS D 5 3.787 -13.929 -0.851 1.00 0.00 H new ATOM 0 HG3 LYS D 5 2.351 -13.153 -0.214 1.00 0.00 H new ATOM 0 HD2 LYS D 5 1.041 -15.237 -0.653 1.00 0.00 H new ATOM 0 HD3 LYS D 5 2.490 -16.011 -1.264 1.00 0.00 H new ATOM 0 HE2 LYS D 5 2.097 -14.942 1.559 1.00 0.00 H new ATOM 0 HE3 LYS D 5 2.060 -16.630 1.089 1.00 0.00 H new ATOM 0 HZ1 LYS D 5 4.210 -16.496 1.718 1.00 0.00 H new ATOM 0 HZ2 LYS D 5 4.434 -15.963 0.122 1.00 0.00 H new ATOM 0 HZ3 LYS D 5 4.343 -14.836 1.388 1.00 0.00 H new ATOM 3103 N SER D 6 -0.515 -12.919 -0.548 1.00 0.00 N ATOM 3104 CA SER D 6 -1.130 -12.096 0.486 1.00 0.00 C ATOM 3105 C SER D 6 -0.071 -11.540 1.433 1.00 0.00 C ATOM 3106 O SER D 6 1.060 -12.025 1.461 1.00 0.00 O ATOM 3107 CB SER D 6 -2.159 -12.909 1.272 1.00 0.00 C ATOM 3108 OG SER D 6 -1.555 -14.031 1.895 1.00 0.00 O ATOM 0 H SER D 6 -0.680 -13.920 -0.440 1.00 0.00 H new ATOM 0 HA SER D 6 -1.635 -11.261 0.001 1.00 0.00 H new ATOM 0 HB2 SER D 6 -2.626 -12.277 2.028 1.00 0.00 H new ATOM 0 HB3 SER D 6 -2.951 -13.244 0.602 1.00 0.00 H new ATOM 0 HG SER D 6 -2.233 -14.533 2.393 1.00 0.00 H new ATOM 3114 N THR D 7 -0.440 -10.523 2.205 1.00 0.00 N ATOM 3115 CA THR D 7 0.488 -9.909 3.146 1.00 0.00 C ATOM 3116 C THR D 7 -0.256 -9.190 4.267 1.00 0.00 C ATOM 3117 O THR D 7 -1.246 -8.499 4.027 1.00 0.00 O ATOM 3118 CB THR D 7 1.404 -8.924 2.417 1.00 0.00 C ATOM 3119 OG1 THR D 7 0.645 -7.909 1.786 1.00 0.00 O ATOM 3120 CG2 THR D 7 2.268 -9.577 1.361 1.00 0.00 C ATOM 0 H THR D 7 -1.372 -10.108 2.197 1.00 0.00 H new ATOM 0 HA THR D 7 1.089 -10.703 3.589 1.00 0.00 H new ATOM 0 HB THR D 7 2.055 -8.510 3.187 1.00 0.00 H new ATOM 0 HG1 THR D 7 0.341 -7.263 2.457 1.00 0.00 H new ATOM 0 HG21 THR D 7 2.892 -8.822 0.884 1.00 0.00 H new ATOM 0 HG22 THR D 7 2.903 -10.332 1.826 1.00 0.00 H new ATOM 0 HG23 THR D 7 1.632 -10.049 0.612 1.00 0.00 H new ATOM 3128 N GLN D 8 0.235 -9.355 5.490 1.00 0.00 N ATOM 3129 CA GLN D 8 -0.371 -8.723 6.655 1.00 0.00 C ATOM 3130 C GLN D 8 0.647 -8.580 7.781 1.00 0.00 C ATOM 3131 O GLN D 8 1.485 -9.457 7.993 1.00 0.00 O ATOM 3132 CB GLN D 8 -1.572 -9.533 7.147 1.00 0.00 C ATOM 3133 CG GLN D 8 -2.204 -8.968 8.410 1.00 0.00 C ATOM 3134 CD GLN D 8 -3.362 -9.804 8.913 1.00 0.00 C ATOM 3135 OE1 GLN D 8 -4.523 -9.177 9.063 1.00 0.00 O flip ATOM 3136 NE2 GLN D 8 -3.215 -10.999 9.172 1.00 0.00 N flip ATOM 0 H GLN D 8 1.055 -9.924 5.700 1.00 0.00 H new ATOM 0 HA GLN D 8 -0.712 -7.731 6.358 1.00 0.00 H new ATOM 0 HB2 GLN D 8 -2.324 -9.570 6.359 1.00 0.00 H new ATOM 0 HB3 GLN D 8 -1.256 -10.559 7.335 1.00 0.00 H new ATOM 0 HG2 GLN D 8 -1.446 -8.899 9.190 1.00 0.00 H new ATOM 0 HG3 GLN D 8 -2.552 -7.954 8.214 1.00 0.00 H new ATOM 0 HE21 GLN D 8 -2.305 -11.441 9.042 1.00 0.00 H new ATOM 0 HE22 GLN D 8 -4.003 -11.547 9.516 1.00 0.00 H new ATOM 3145 N THR D 9 0.568 -7.466 8.504 1.00 0.00 N ATOM 3146 CA THR D 9 1.480 -7.202 9.611 1.00 0.00 C ATOM 3147 C THR D 9 1.489 -8.362 10.602 1.00 0.00 C ATOM 3148 O THR D 9 2.466 -8.474 11.374 1.00 0.00 O ATOM 3149 CB THR D 9 1.079 -5.913 10.330 1.00 0.00 C ATOM 3150 OG1 THR D 9 -0.223 -6.032 10.876 1.00 0.00 O ATOM 3151 CG2 THR D 9 1.088 -4.698 9.428 1.00 0.00 C ATOM 3152 OXT THR D 9 0.520 -9.151 10.599 1.00 0.00 O ATOM 0 H THR D 9 -0.120 -6.731 8.342 1.00 0.00 H new ATOM 0 HA THR D 9 2.484 -7.090 9.201 1.00 0.00 H new ATOM 0 HB THR D 9 1.826 -5.771 11.111 1.00 0.00 H new ATOM 0 HG1 THR D 9 -0.506 -6.970 10.846 1.00 0.00 H new ATOM 0 HG21 THR D 9 0.794 -3.818 10.000 1.00 0.00 H new ATOM 0 HG22 THR D 9 2.090 -4.551 9.025 1.00 0.00 H new ATOM 0 HG23 THR D 9 0.386 -4.848 8.608 1.00 0.00 H new TER 3160 THR D 9 END